smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513193 168366444 /nfs/dbraw/zinc/36/64/44/168366444.db2.gz BGQPLXLZMWQIEO-ICSRJNTNSA-N 2 2 339.483 3.441 10 0 EGAELP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513193 168366446 /nfs/dbraw/zinc/36/64/46/168366446.db2.gz BGQPLXLZMWQIEO-ICSRJNTNSA-N 2 2 339.483 3.441 10 0 EGAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000075142009 203307199 /nfs/dbraw/zinc/30/71/99/203307199.db2.gz GCROFXRAKKYQAU-AWEZNQCLSA-N 2 2 342.443 3.015 10 0 EGAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)CCOC ZINC000042954639 204184176 /nfs/dbraw/zinc/18/41/76/204184176.db2.gz DCYSAUPPWMEKKR-HUUCEWRRSA-N 2 2 329.282 3.196 10 0 EGAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CCOC ZINC000042954639 204184179 /nfs/dbraw/zinc/18/41/79/204184179.db2.gz DCYSAUPPWMEKKR-HUUCEWRRSA-N 2 2 329.282 3.196 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792762 204293234 /nfs/dbraw/zinc/29/32/34/204293234.db2.gz XIGGWYLLXGBODW-UHFFFAOYSA-N 2 2 326.444 3.282 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000128540539 205150734 /nfs/dbraw/zinc/15/07/34/205150734.db2.gz BKBBVGPGFBKUSH-SFHVURJKSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000128540539 205150737 /nfs/dbraw/zinc/15/07/37/205150737.db2.gz BKBBVGPGFBKUSH-SFHVURJKSA-N 2 2 326.488 3.349 10 0 EGAELP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289145 207317806 /nfs/dbraw/zinc/31/78/06/207317806.db2.gz HGXGRUGMBCQBTL-QZTJIDSGSA-N 2 2 340.471 3.437 10 0 EGAELP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289145 207317810 /nfs/dbraw/zinc/31/78/10/207317810.db2.gz HGXGRUGMBCQBTL-QZTJIDSGSA-N 2 2 340.471 3.437 10 0 EGAELP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357697 207325657 /nfs/dbraw/zinc/32/56/57/207325657.db2.gz AZRPPPSAWUAFSD-UXHICEINSA-N 2 2 348.450 3.355 10 0 EGAELP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357697 207325660 /nfs/dbraw/zinc/32/56/60/207325660.db2.gz AZRPPPSAWUAFSD-UXHICEINSA-N 2 2 348.450 3.355 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646300 141023173 /nfs/dbraw/zinc/02/31/73/141023173.db2.gz IJTMNXMPOAXXCE-WDSOQIARSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646300 141023175 /nfs/dbraw/zinc/02/31/75/141023175.db2.gz IJTMNXMPOAXXCE-WDSOQIARSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646300 141023177 /nfs/dbraw/zinc/02/31/77/141023177.db2.gz IJTMNXMPOAXXCE-WDSOQIARSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646300 141023179 /nfs/dbraw/zinc/02/31/79/141023179.db2.gz IJTMNXMPOAXXCE-WDSOQIARSA-N 2 2 331.504 3.059 10 0 EGAELP Cc1ccc2[nH+]c(CN(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000342795597 141149070 /nfs/dbraw/zinc/14/90/70/141149070.db2.gz XOFZCVBBCDTKNA-FQEVSTJZSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000346201299 141179271 /nfs/dbraw/zinc/17/92/71/141179271.db2.gz MSDXYLGGQWIMCK-LJQANCHMSA-N 3 2 339.487 3.026 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000346201299 141179272 /nfs/dbraw/zinc/17/92/72/141179272.db2.gz MSDXYLGGQWIMCK-LJQANCHMSA-N 3 2 339.487 3.026 10 0 EGAELP Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c(C)[nH+]1 ZINC000187124259 144152697 /nfs/dbraw/zinc/15/26/97/144152697.db2.gz ITTZVPNCTUZUII-UHFFFAOYSA-N 2 2 325.456 3.037 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1F ZINC000187125673 144153047 /nfs/dbraw/zinc/15/30/47/144153047.db2.gz WGXIITSJJUIEML-OAHLLOKOSA-N 2 2 333.382 3.207 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccc(F)cc1F ZINC000187125673 144153048 /nfs/dbraw/zinc/15/30/48/144153048.db2.gz WGXIITSJJUIEML-OAHLLOKOSA-N 2 2 333.382 3.207 10 0 EGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2n1C ZINC000121356689 152346062 /nfs/dbraw/zinc/34/60/62/152346062.db2.gz NRLLVYWYHWXFSD-OAHLLOKOSA-N 2 2 335.455 3.288 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000188409095 153014107 /nfs/dbraw/zinc/01/41/07/153014107.db2.gz NNKVIEPTNKYNCO-AWEZNQCLSA-N 2 2 335.835 3.218 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000188409095 153014108 /nfs/dbraw/zinc/01/41/08/153014108.db2.gz NNKVIEPTNKYNCO-AWEZNQCLSA-N 2 2 335.835 3.218 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000188795804 153034139 /nfs/dbraw/zinc/03/41/39/153034139.db2.gz YUPDASWMJPCECQ-GJYPPUQNSA-N 2 2 325.456 3.261 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000188795804 153034143 /nfs/dbraw/zinc/03/41/43/153034143.db2.gz YUPDASWMJPCECQ-GJYPPUQNSA-N 2 2 325.456 3.261 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC000191343978 153188784 /nfs/dbraw/zinc/18/87/84/153188784.db2.gz ZQLXJLCHCGLRKM-KRWDZBQOSA-N 2 2 327.476 3.134 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC000191343978 153188790 /nfs/dbraw/zinc/18/87/90/153188790.db2.gz ZQLXJLCHCGLRKM-KRWDZBQOSA-N 2 2 327.476 3.134 10 0 EGAELP CCS[C@H](C)c1noc(C[NH+]2CCC(C[NH+](CC)CC)CC2)n1 ZINC000336870030 154222175 /nfs/dbraw/zinc/22/21/75/154222175.db2.gz GYCQLVLWMPRBRN-CQSZACIVSA-N 2 2 340.537 3.438 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]1c1ccccc1 ZINC000340108325 155100454 /nfs/dbraw/zinc/10/04/54/155100454.db2.gz HJKIDYVGRYHUSQ-NHCUHLMSSA-N 2 2 332.451 3.407 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]1c1ccccc1 ZINC000340108325 155100459 /nfs/dbraw/zinc/10/04/59/155100459.db2.gz HJKIDYVGRYHUSQ-NHCUHLMSSA-N 2 2 332.451 3.407 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126975 156361633 /nfs/dbraw/zinc/36/16/33/156361633.db2.gz HDEKRYMITKFXFD-ZBFHGGJFSA-N 2 2 331.435 3.236 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126975 156361639 /nfs/dbraw/zinc/36/16/39/156361639.db2.gz HDEKRYMITKFXFD-ZBFHGGJFSA-N 2 2 331.435 3.236 10 0 EGAELP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000113997690 162221254 /nfs/dbraw/zinc/22/12/54/162221254.db2.gz DDEQBRVOJDORNZ-LJQANCHMSA-N 2 2 343.515 3.134 10 0 EGAELP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000113997690 162221256 /nfs/dbraw/zinc/22/12/56/162221256.db2.gz DDEQBRVOJDORNZ-LJQANCHMSA-N 2 2 343.515 3.134 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1Cl ZINC000125549298 162276911 /nfs/dbraw/zinc/27/69/11/162276911.db2.gz OILYZYMGMBQUFV-AWEZNQCLSA-N 2 2 332.879 3.124 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1Cl ZINC000125549298 162276912 /nfs/dbraw/zinc/27/69/12/162276912.db2.gz OILYZYMGMBQUFV-AWEZNQCLSA-N 2 2 332.879 3.124 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248742585 163031482 /nfs/dbraw/zinc/03/14/82/163031482.db2.gz QZYPZGXZWQDVDW-RYUDHWBXSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248742585 163031484 /nfs/dbraw/zinc/03/14/84/163031484.db2.gz QZYPZGXZWQDVDW-RYUDHWBXSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248742585 163031486 /nfs/dbraw/zinc/03/14/86/163031486.db2.gz QZYPZGXZWQDVDW-RYUDHWBXSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248742585 163031487 /nfs/dbraw/zinc/03/14/87/163031487.db2.gz QZYPZGXZWQDVDW-RYUDHWBXSA-N 2 2 333.423 3.386 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337194284 163159500 /nfs/dbraw/zinc/15/95/00/163159500.db2.gz AGFRFOLGGXNCMN-IBGZPJMESA-N 2 2 345.531 3.230 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337194284 163159501 /nfs/dbraw/zinc/15/95/01/163159501.db2.gz AGFRFOLGGXNCMN-IBGZPJMESA-N 2 2 345.531 3.230 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000343653829 164004653 /nfs/dbraw/zinc/00/46/53/164004653.db2.gz GDCDVNBXBMFMCQ-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000343835583 164047218 /nfs/dbraw/zinc/04/72/18/164047218.db2.gz CROPALMYLLMYMP-XJKSGUPXSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000343835583 164047219 /nfs/dbraw/zinc/04/72/19/164047219.db2.gz CROPALMYLLMYMP-XJKSGUPXSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344144861 164113855 /nfs/dbraw/zinc/11/38/55/164113855.db2.gz TUAJANRGULVWPJ-HSALFYBXSA-N 2 2 349.563 3.364 10 0 EGAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344144861 164113857 /nfs/dbraw/zinc/11/38/57/164113857.db2.gz TUAJANRGULVWPJ-HSALFYBXSA-N 2 2 349.563 3.364 10 0 EGAELP COc1ccc2c(c1)C[N@@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000346137042 164346230 /nfs/dbraw/zinc/34/62/30/164346230.db2.gz RCQCGAKROJFZAV-UHFFFAOYSA-N 2 2 334.423 3.143 10 0 EGAELP COC(=O)c1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346182003 164358710 /nfs/dbraw/zinc/35/87/10/164358710.db2.gz QZDPPOKCVBPEAL-UHFFFAOYSA-N 2 2 341.436 3.352 10 0 EGAELP COC(=O)c1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346182003 164358712 /nfs/dbraw/zinc/35/87/12/164358712.db2.gz QZDPPOKCVBPEAL-UHFFFAOYSA-N 2 2 341.436 3.352 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000346232704 164360723 /nfs/dbraw/zinc/36/07/23/164360723.db2.gz YJCKRTFIEXZDDO-GOSISDBHSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000346232704 164360725 /nfs/dbraw/zinc/36/07/25/164360725.db2.gz YJCKRTFIEXZDDO-GOSISDBHSA-N 2 2 340.452 3.211 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCO1 ZINC000346541436 164393269 /nfs/dbraw/zinc/39/32/69/164393269.db2.gz DXXJRTVINBXBNJ-VNTMZGSJSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346541436 164393271 /nfs/dbraw/zinc/39/32/71/164393271.db2.gz DXXJRTVINBXBNJ-VNTMZGSJSA-N 2 2 338.536 3.299 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cnccn2)cc1 ZINC000346571389 164399488 /nfs/dbraw/zinc/39/94/88/164399488.db2.gz YSTKUMAQOPGWPW-LJQANCHMSA-N 2 2 337.402 3.192 10 0 EGAELP O=[S@](CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798255 166313554 /nfs/dbraw/zinc/31/35/54/166313554.db2.gz OWFFDYAQQCFPDH-YADARESESA-N 2 2 348.556 3.382 10 0 EGAELP O=[S@](CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798255 166313555 /nfs/dbraw/zinc/31/35/55/166313555.db2.gz OWFFDYAQQCFPDH-YADARESESA-N 2 2 348.556 3.382 10 0 EGAELP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229808 167102077 /nfs/dbraw/zinc/10/20/77/167102077.db2.gz RNMQUKZXDFLNIW-APWZRJJASA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229808 167102078 /nfs/dbraw/zinc/10/20/78/167102078.db2.gz RNMQUKZXDFLNIW-APWZRJJASA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000359229808 167102080 /nfs/dbraw/zinc/10/20/80/167102080.db2.gz RNMQUKZXDFLNIW-APWZRJJASA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000359229808 167102081 /nfs/dbraw/zinc/10/20/81/167102081.db2.gz RNMQUKZXDFLNIW-APWZRJJASA-N 2 2 329.488 3.156 10 0 EGAELP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731285 168039923 /nfs/dbraw/zinc/03/99/23/168039923.db2.gz CCGPNDHPMLDRAH-YSTOQKLRSA-N 2 2 336.483 3.052 10 0 EGAELP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000365731285 168039925 /nfs/dbraw/zinc/03/99/25/168039925.db2.gz CCGPNDHPMLDRAH-YSTOQKLRSA-N 2 2 336.483 3.052 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000367322171 168207866 /nfs/dbraw/zinc/20/78/66/168207866.db2.gz OCKORNDVVOYHPA-UHFFFAOYSA-N 2 2 335.455 3.245 10 0 EGAELP O[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000177244964 265243807 /nfs/dbraw/zinc/24/38/07/265243807.db2.gz MJDNCOZAKLVLNK-RTWAWAEBSA-N 2 2 342.458 3.352 10 0 EGAELP Cc1cc(NCC[N@@H+](C)Cc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000193522286 266041237 /nfs/dbraw/zinc/04/12/37/266041237.db2.gz NGAAWFNLXBPHNM-UHFFFAOYSA-N 2 2 333.439 3.391 10 0 EGAELP Cc1cc(NCC[N@H+](C)Cc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000193522286 266041239 /nfs/dbraw/zinc/04/12/39/266041239.db2.gz NGAAWFNLXBPHNM-UHFFFAOYSA-N 2 2 333.439 3.391 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000233489410 266207805 /nfs/dbraw/zinc/20/78/05/266207805.db2.gz WCCBKKOFCYTDSO-BBRMVZONSA-N 2 2 325.294 3.454 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000233489410 266207806 /nfs/dbraw/zinc/20/78/06/266207806.db2.gz WCCBKKOFCYTDSO-BBRMVZONSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000274700888 267273903 /nfs/dbraw/zinc/27/39/03/267273903.db2.gz XVKYJTYUSZJNTF-NEWSRXKRSA-N 2 2 328.456 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000274700888 267273904 /nfs/dbraw/zinc/27/39/04/267273904.db2.gz XVKYJTYUSZJNTF-NEWSRXKRSA-N 2 2 328.456 3.203 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275412172 267357461 /nfs/dbraw/zinc/35/74/61/267357461.db2.gz BQZYCXGYQMUGCG-MRXNPFEDSA-N 2 2 341.455 3.232 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275412172 267357463 /nfs/dbraw/zinc/35/74/63/267357463.db2.gz BQZYCXGYQMUGCG-MRXNPFEDSA-N 2 2 341.455 3.232 10 0 EGAELP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1O ZINC000290237261 276469071 /nfs/dbraw/zinc/46/90/71/276469071.db2.gz GJFGTQDJEXNSQF-SFHVURJKSA-N 2 2 340.471 3.156 10 0 EGAELP Cc1ccncc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000354489194 302289845 /nfs/dbraw/zinc/28/98/45/302289845.db2.gz BCHSPPMPCIGKRX-SFHVURJKSA-N 2 2 339.483 3.380 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000249175638 308020694 /nfs/dbraw/zinc/02/06/94/308020694.db2.gz ZCWHUSGZTMLQQY-MLGOLLRUSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249175638 308020696 /nfs/dbraw/zinc/02/06/96/308020696.db2.gz ZCWHUSGZTMLQQY-MLGOLLRUSA-N 2 2 338.908 3.308 10 0 EGAELP Fc1ccc(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000414593347 309091145 /nfs/dbraw/zinc/09/11/45/309091145.db2.gz QWOFXASAKCDSKY-OAHLLOKOSA-N 2 2 342.443 3.441 10 0 EGAELP [NH3+][C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000414837583 309104881 /nfs/dbraw/zinc/10/48/81/309104881.db2.gz UOINUOVYGJDBLD-WOJBJXKFSA-N 2 2 326.440 3.034 10 0 EGAELP COc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)c(Cl)c1OC ZINC000414858536 309105979 /nfs/dbraw/zinc/10/59/79/309105979.db2.gz JXNMIFQEDYMDRO-UHFFFAOYSA-N 2 2 326.868 3.499 10 0 EGAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400398565 308907401 /nfs/dbraw/zinc/90/74/01/308907401.db2.gz PFEUXUREBUNICA-IKGGRYGDSA-N 2 2 339.524 3.096 10 0 EGAELP CCn1nncc1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000417931901 309228778 /nfs/dbraw/zinc/22/87/78/309228778.db2.gz VYFGRVIXOGLAHB-MRXNPFEDSA-N 2 2 327.476 3.051 10 0 EGAELP Cn1cc(Cl)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000420908572 309300388 /nfs/dbraw/zinc/30/03/88/309300388.db2.gz XBELTDHEPHSFJI-UHFFFAOYSA-N 2 2 346.906 3.418 10 0 EGAELP Cn1cc(Cl)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000420908572 309300389 /nfs/dbraw/zinc/30/03/89/309300389.db2.gz XBELTDHEPHSFJI-UHFFFAOYSA-N 2 2 346.906 3.418 10 0 EGAELP Cc1c(Cl)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1C ZINC000421391191 309322325 /nfs/dbraw/zinc/32/23/25/309322325.db2.gz NENLUKBNZQEJKB-UHFFFAOYSA-N 2 2 347.894 3.294 10 0 EGAELP CCOc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1OC(F)F ZINC000422697785 309363520 /nfs/dbraw/zinc/36/35/20/309363520.db2.gz WFYFMEWQUDOHAR-NSHDSACASA-N 2 2 337.370 3.345 10 0 EGAELP c1csc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCCCC2)c1 ZINC000422762982 309366905 /nfs/dbraw/zinc/36/69/05/309366905.db2.gz IPUITSAFCJXCAX-SJLPKXTDSA-N 2 2 334.529 3.307 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccccc2F)[C@H]2CCC[NH2+]2)cc1 ZINC000422765943 309367226 /nfs/dbraw/zinc/36/72/26/309367226.db2.gz WMMOKWNHZVPKAS-QUCCMNQESA-N 2 2 344.430 3.296 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@H]2CCC[NH2+]2)cc1 ZINC000422805195 309369394 /nfs/dbraw/zinc/36/93/94/309369394.db2.gz IRWYESQNSOKMGH-ZVDOUQERSA-N 2 2 338.451 3.082 10 0 EGAELP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1c[nH+]ccc1N ZINC000422935231 309376950 /nfs/dbraw/zinc/37/69/50/309376950.db2.gz DJVDSCNMNHMADJ-CQSZACIVSA-N 2 2 333.439 3.019 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2cccc(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422950892 309377693 /nfs/dbraw/zinc/37/76/93/309377693.db2.gz WYWNLNYQTDPTNX-UXHICEINSA-N 2 2 344.430 3.296 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423042254 309382614 /nfs/dbraw/zinc/38/26/14/309382614.db2.gz YVFYXSMAAXPZSR-ZCNNSNEGSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423046016 309382773 /nfs/dbraw/zinc/38/27/73/309382773.db2.gz DUFDAJJPGSTRDY-AFYVEPGGSA-N 2 2 330.472 3.036 10 0 EGAELP CCOc1ccccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233120 309391580 /nfs/dbraw/zinc/39/15/80/309391580.db2.gz NZTJASMWXRIPFG-OAHLLOKOSA-N 2 2 326.444 3.063 10 0 EGAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC)c1 ZINC000423242551 309392059 /nfs/dbraw/zinc/39/20/59/309392059.db2.gz YQJMQKQKPHPIKV-SFHVURJKSA-N 2 2 326.444 3.063 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000423245790 309392133 /nfs/dbraw/zinc/39/21/33/309392133.db2.gz JMAIIPQLXWBXKO-AQNXPRMDSA-N 2 2 338.451 3.458 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423248694 309392192 /nfs/dbraw/zinc/39/21/92/309392192.db2.gz SAMYABSLDQXVEA-AUUYWEPGSA-N 2 2 338.455 3.321 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000423374558 309397706 /nfs/dbraw/zinc/39/77/06/309397706.db2.gz XERILNFTWACHSF-UHIISALHSA-N 2 2 327.266 3.106 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cncn2C(C)C)cc1F ZINC000424164609 309431627 /nfs/dbraw/zinc/43/16/27/309431627.db2.gz ZXKRLYUMQXHTLN-UHFFFAOYSA-N 2 2 327.407 3.387 10 0 EGAELP CCC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccsc1 ZINC000443098627 309895423 /nfs/dbraw/zinc/89/54/23/309895423.db2.gz AXXANCNKTIFJFX-HZPDHXFCSA-N 2 2 346.500 3.104 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000449190004 310043328 /nfs/dbraw/zinc/04/33/28/310043328.db2.gz IHNKFMXERCWRRS-MRXNPFEDSA-N 2 2 327.447 3.406 10 0 EGAELP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449508334 310067857 /nfs/dbraw/zinc/06/78/57/310067857.db2.gz GUBBVEMNHMBEFE-CVEARBPZSA-N 2 2 333.457 3.145 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000449527124 310069244 /nfs/dbraw/zinc/06/92/44/310069244.db2.gz ZQLYEQLZVHIISK-IBGZPJMESA-N 2 2 347.528 3.095 10 0 EGAELP CN1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc21 ZINC000449654376 310077927 /nfs/dbraw/zinc/07/79/27/310077927.db2.gz VRXQHSNLDOSIRG-INIZCTEOSA-N 2 2 330.501 3.266 10 0 EGAELP CCc1cc(CCC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)on1 ZINC000450866893 310146754 /nfs/dbraw/zinc/14/67/54/310146754.db2.gz GKEWTCHYBUWCEH-UHFFFAOYSA-N 2 2 329.444 3.416 10 0 EGAELP CCN(CCOC)c1cccc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)[nH+]1 ZINC000450994944 310154259 /nfs/dbraw/zinc/15/42/59/310154259.db2.gz CRZMVIXKJPMYRK-CVEARBPZSA-N 2 2 342.487 3.170 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000451593645 310188400 /nfs/dbraw/zinc/18/84/00/310188400.db2.gz SWOKQCXQGVBVLS-MSOLQXFVSA-N 2 2 327.428 3.002 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453089441 310257271 /nfs/dbraw/zinc/25/72/71/310257271.db2.gz NZXSVNVSIKPFBA-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453089441 310257272 /nfs/dbraw/zinc/25/72/72/310257272.db2.gz NZXSVNVSIKPFBA-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000453114081 310258940 /nfs/dbraw/zinc/25/89/40/310258940.db2.gz HLVZZEYGNSZQLD-DLBZAZTESA-N 2 2 334.504 3.290 10 0 EGAELP CCn1ccnc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000453307534 310270208 /nfs/dbraw/zinc/27/02/08/310270208.db2.gz CXMNOJUJQNPRJM-QGZVFWFLSA-N 2 2 326.488 3.088 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459657501 310566734 /nfs/dbraw/zinc/56/67/34/310566734.db2.gz IAYHDDXDHSIHAE-OAHLLOKOSA-N 2 2 328.460 3.093 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459782544 310575011 /nfs/dbraw/zinc/57/50/11/310575011.db2.gz ZHKGBHLFXVGNDK-IRXDYDNUSA-N 2 2 326.488 3.166 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055338 311162427 /nfs/dbraw/zinc/16/24/27/311162427.db2.gz FVRDIQJBRLRASZ-ROUUACIJSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055338 311162428 /nfs/dbraw/zinc/16/24/28/311162428.db2.gz FVRDIQJBRLRASZ-ROUUACIJSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058163 311162437 /nfs/dbraw/zinc/16/24/37/311162437.db2.gz NVTPRIFREAJBQG-OTWHNJEPSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058163 311162438 /nfs/dbraw/zinc/16/24/38/311162438.db2.gz NVTPRIFREAJBQG-OTWHNJEPSA-N 2 2 337.552 3.268 10 0 EGAELP COC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000513458730 312211306 /nfs/dbraw/zinc/21/13/06/312211306.db2.gz TZVBJLRKUBGNON-JXXFODFXSA-N 2 2 344.499 3.206 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000527983387 312990470 /nfs/dbraw/zinc/99/04/70/312990470.db2.gz VOHDFTQCGGDZBT-UHFFFAOYSA-N 2 2 333.220 3.301 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530178858 313491154 /nfs/dbraw/zinc/49/11/54/313491154.db2.gz RVWLIAUMIBNUFS-HNNXBMFYSA-N 2 2 326.387 3.061 10 0 EGAELP COc1cccc([C@@H]2[C@@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000537572857 314189915 /nfs/dbraw/zinc/18/99/15/314189915.db2.gz SJSAEYIFLPPAAI-ZWKOTPCHSA-N 2 2 349.438 3.356 10 0 EGAELP COc1cccc([C@@H]2[C@@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@H+]2C2CC2)c1 ZINC000537572857 314189917 /nfs/dbraw/zinc/18/99/17/314189917.db2.gz SJSAEYIFLPPAAI-ZWKOTPCHSA-N 2 2 349.438 3.356 10 0 EGAELP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940172 314217813 /nfs/dbraw/zinc/21/78/13/314217813.db2.gz XXBYUPDOCLRXKD-ICSRJNTNSA-N 3 2 329.532 3.219 10 0 EGAELP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940172 314217818 /nfs/dbraw/zinc/21/78/18/314217818.db2.gz XXBYUPDOCLRXKD-ICSRJNTNSA-N 3 2 329.532 3.219 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990195 314222600 /nfs/dbraw/zinc/22/26/00/314222600.db2.gz GSRQYWCRMBPGHP-MLGOLLRUSA-N 2 2 328.378 3.157 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990195 314222601 /nfs/dbraw/zinc/22/26/01/314222601.db2.gz GSRQYWCRMBPGHP-MLGOLLRUSA-N 2 2 328.378 3.157 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@@H](C)C1 ZINC000539838231 314343848 /nfs/dbraw/zinc/34/38/48/314343848.db2.gz JHZYPOSOOVNTIV-MPGHIAIKSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@@H](C)C1 ZINC000539838231 314343851 /nfs/dbraw/zinc/34/38/51/314343851.db2.gz JHZYPOSOOVNTIV-MPGHIAIKSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@@H](C)C1 ZINC000539838231 314343852 /nfs/dbraw/zinc/34/38/52/314343852.db2.gz JHZYPOSOOVNTIV-MPGHIAIKSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@@H](C)C1 ZINC000539838231 314343855 /nfs/dbraw/zinc/34/38/55/314343855.db2.gz JHZYPOSOOVNTIV-MPGHIAIKSA-N 2 2 332.488 3.181 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4ccccc4C3)c2cc1C ZINC000552911453 315237043 /nfs/dbraw/zinc/23/70/43/315237043.db2.gz AWOJISJGRNJHBV-VQTJNVASSA-N 2 2 349.478 3.161 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438504 316021596 /nfs/dbraw/zinc/02/15/96/316021596.db2.gz DVYRMZJKOZJUQY-JTQLQIEISA-N 2 2 338.249 3.350 10 0 EGAELP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)c(F)c1 ZINC000564434005 316151927 /nfs/dbraw/zinc/15/19/27/316151927.db2.gz LOSZJTFRNWULAM-IFXJQAMLSA-N 2 2 340.377 3.319 10 0 EGAELP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000564434005 316151930 /nfs/dbraw/zinc/15/19/30/316151930.db2.gz LOSZJTFRNWULAM-IFXJQAMLSA-N 2 2 340.377 3.319 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)ccn12 ZINC000564736849 316197031 /nfs/dbraw/zinc/19/70/31/316197031.db2.gz BTXQTJONSMOSKR-QAQDUYKDSA-N 2 2 349.438 3.191 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000564823735 316212656 /nfs/dbraw/zinc/21/26/56/316212656.db2.gz AKXJFYCVEZGAAI-AUUYWEPGSA-N 2 2 341.430 3.166 10 0 EGAELP O=C(CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)Nc1cccnc1 ZINC000564862691 316221244 /nfs/dbraw/zinc/22/12/44/316221244.db2.gz FLTJIFPILPPHQN-UHFFFAOYSA-N 2 2 344.503 3.046 10 0 EGAELP CN1CC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565103416 316265950 /nfs/dbraw/zinc/26/59/50/316265950.db2.gz FAKAECRFRXKMOQ-ROUUACIJSA-N 2 2 339.886 3.300 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)n1C ZINC000565237157 316297313 /nfs/dbraw/zinc/29/73/13/316297313.db2.gz FSQCFAZGWGFVDS-OALUTQOASA-N 2 2 348.441 3.320 10 0 EGAELP CCC(CC)(C[NH2+]C[C@H](O)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000572029044 317280915 /nfs/dbraw/zinc/28/09/15/317280915.db2.gz NWFNJEISJGRUSD-ZFWWWQNUSA-N 2 2 332.410 3.409 10 0 EGAELP Cc1csc([C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000572762988 317388396 /nfs/dbraw/zinc/38/83/96/317388396.db2.gz AFDMLIJPGSAADO-CABCVRRESA-N 2 2 344.484 3.130 10 0 EGAELP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)c(F)c1)C2 ZINC000311569207 456589289 /nfs/dbraw/zinc/58/92/89/456589289.db2.gz MBSUAMASPJEFDA-WFASDCNBSA-N 2 2 327.241 3.149 10 0 EGAELP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)c(F)c1)C2 ZINC000311569207 456589294 /nfs/dbraw/zinc/58/92/94/456589294.db2.gz MBSUAMASPJEFDA-WFASDCNBSA-N 2 2 327.241 3.149 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868036 325030661 /nfs/dbraw/zinc/03/06/61/325030661.db2.gz MGHPJBHUBMXKRN-XLIONFOSSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868036 325030665 /nfs/dbraw/zinc/03/06/65/325030665.db2.gz MGHPJBHUBMXKRN-XLIONFOSSA-N 2 2 329.488 3.014 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000581828168 325391885 /nfs/dbraw/zinc/39/18/85/325391885.db2.gz QGLCQFZEXGOJFU-UHFFFAOYSA-N 2 2 334.504 3.312 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675755 455220019 /nfs/dbraw/zinc/22/00/19/455220019.db2.gz FXORXGFLTOYEQH-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675755 455220021 /nfs/dbraw/zinc/22/00/21/455220021.db2.gz FXORXGFLTOYEQH-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675755 455220023 /nfs/dbraw/zinc/22/00/23/455220023.db2.gz FXORXGFLTOYEQH-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675755 455220024 /nfs/dbraw/zinc/22/00/24/455220024.db2.gz FXORXGFLTOYEQH-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173380090 455276154 /nfs/dbraw/zinc/27/61/54/455276154.db2.gz QDMRNJSZUHNMGC-CJNGLKHVSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173380090 455276156 /nfs/dbraw/zinc/27/61/56/455276156.db2.gz QDMRNJSZUHNMGC-CJNGLKHVSA-N 2 2 341.293 3.211 10 0 EGAELP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474011 455327194 /nfs/dbraw/zinc/32/71/94/455327194.db2.gz HWXPVHMLFLSPMI-IBGZPJMESA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474011 455327196 /nfs/dbraw/zinc/32/71/96/455327196.db2.gz HWXPVHMLFLSPMI-IBGZPJMESA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190474011 455327198 /nfs/dbraw/zinc/32/71/98/455327198.db2.gz HWXPVHMLFLSPMI-IBGZPJMESA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190474011 455327201 /nfs/dbraw/zinc/32/72/01/455327201.db2.gz HWXPVHMLFLSPMI-IBGZPJMESA-N 2 2 339.483 3.434 10 0 EGAELP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578807 455333774 /nfs/dbraw/zinc/33/37/74/455333774.db2.gz GIUNQLDHFWJQJY-VBQJREDUSA-N 2 2 328.859 3.487 10 0 EGAELP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578807 455333779 /nfs/dbraw/zinc/33/37/79/455333779.db2.gz GIUNQLDHFWJQJY-VBQJREDUSA-N 2 2 328.859 3.487 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000245573568 455334159 /nfs/dbraw/zinc/33/41/59/455334159.db2.gz DBTLTLVSUFRGAS-JKIFEVAISA-N 2 2 330.501 3.408 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000245573568 455334162 /nfs/dbraw/zinc/33/41/62/455334162.db2.gz DBTLTLVSUFRGAS-JKIFEVAISA-N 2 2 330.501 3.408 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1cccs1 ZINC000631886266 460588865 /nfs/dbraw/zinc/58/88/65/460588865.db2.gz GNIOAJQPDCTMKJ-RLFYNMQTSA-N 2 2 349.544 3.025 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1cccs1 ZINC000631886266 460588870 /nfs/dbraw/zinc/58/88/70/460588870.db2.gz GNIOAJQPDCTMKJ-RLFYNMQTSA-N 2 2 349.544 3.025 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000631890938 460590839 /nfs/dbraw/zinc/59/08/39/460590839.db2.gz WNSPPZYPOKDANR-MAUKXSAKSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000631890938 460590841 /nfs/dbraw/zinc/59/08/41/460590841.db2.gz WNSPPZYPOKDANR-MAUKXSAKSA-N 2 2 343.496 3.393 10 0 EGAELP Cc1c(C[NH2+]CC[NH+]2CCC(O)CC2)c2ccccc2n1CC(C)C ZINC000055271088 453973726 /nfs/dbraw/zinc/97/37/26/453973726.db2.gz APNMOYHTQWZRJO-UHFFFAOYSA-N 2 2 343.515 3.152 10 0 EGAELP Cc1[nH]nc2ncc(C[NH2+]C[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000069157719 454083659 /nfs/dbraw/zinc/08/36/59/454083659.db2.gz ZHFHAGJJHHANFK-MRXNPFEDSA-N 2 2 341.484 3.255 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@@H+]1C1CC1 ZINC000119290007 454184760 /nfs/dbraw/zinc/18/47/60/454184760.db2.gz DSNHWQKWTKDJHF-DYVFJYSZSA-N 2 2 329.419 3.238 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@H+]1C1CC1 ZINC000119290007 454184766 /nfs/dbraw/zinc/18/47/66/454184766.db2.gz DSNHWQKWTKDJHF-DYVFJYSZSA-N 2 2 329.419 3.238 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)nc1C ZINC000119462896 454197991 /nfs/dbraw/zinc/19/79/91/454197991.db2.gz QWNPCSFTHHKOBZ-CQSZACIVSA-N 2 2 339.505 3.155 10 0 EGAELP CCc1nc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)sc1C ZINC000095421592 454208347 /nfs/dbraw/zinc/20/83/47/454208347.db2.gz RYJMVDWGMJUAQO-UHFFFAOYSA-N 2 2 344.528 3.206 10 0 EGAELP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(N(C)C)c1 ZINC000095969129 454244143 /nfs/dbraw/zinc/24/41/43/454244143.db2.gz RLSJUKWYEXXWSS-UHFFFAOYSA-N 2 2 338.499 3.210 10 0 EGAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000121216854 454406766 /nfs/dbraw/zinc/40/67/66/454406766.db2.gz VWDPWTDWJDPNGM-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000121216854 454406770 /nfs/dbraw/zinc/40/67/70/454406770.db2.gz VWDPWTDWJDPNGM-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218075 454406932 /nfs/dbraw/zinc/40/69/32/454406932.db2.gz HHQPQNIUBHPDLP-LPHOPBHVSA-N 2 2 342.487 3.196 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218075 454406936 /nfs/dbraw/zinc/40/69/36/454406936.db2.gz HHQPQNIUBHPDLP-LPHOPBHVSA-N 2 2 342.487 3.196 10 0 EGAELP COc1ccc2oc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc2c1 ZINC000092091264 454519003 /nfs/dbraw/zinc/51/90/03/454519003.db2.gz JEZNDTAGXLLNFS-OAHLLOKOSA-N 2 2 344.455 3.127 10 0 EGAELP COc1ccc2oc(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc2c1 ZINC000092091264 454519007 /nfs/dbraw/zinc/51/90/07/454519007.db2.gz JEZNDTAGXLLNFS-OAHLLOKOSA-N 2 2 344.455 3.127 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1(C)C ZINC000623615698 460642805 /nfs/dbraw/zinc/64/28/05/460642805.db2.gz QGQBORGSTUMMTL-SQWLQELKSA-N 2 2 342.405 3.383 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1(C)C ZINC000623615698 460642807 /nfs/dbraw/zinc/64/28/07/460642807.db2.gz QGQBORGSTUMMTL-SQWLQELKSA-N 2 2 342.405 3.383 10 0 EGAELP Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000074772713 454632218 /nfs/dbraw/zinc/63/22/18/454632218.db2.gz RMHHOQYKNKHMTN-KRWDZBQOSA-N 2 2 337.471 3.015 10 0 EGAELP Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000074772713 454632225 /nfs/dbraw/zinc/63/22/25/454632225.db2.gz RMHHOQYKNKHMTN-KRWDZBQOSA-N 2 2 337.471 3.015 10 0 EGAELP Cc1cc2cc(C[NH+]3CCN(Cc4[nH+]ccn4C)CC3)oc2cc1C ZINC000093131897 454685724 /nfs/dbraw/zinc/68/57/24/454685724.db2.gz GCXRJSYPWAFFCJ-UHFFFAOYSA-N 2 2 338.455 3.101 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920918 454731191 /nfs/dbraw/zinc/73/11/91/454731191.db2.gz VCPMEKQIIVTWCQ-CVEARBPZSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920918 454731195 /nfs/dbraw/zinc/73/11/95/454731195.db2.gz VCPMEKQIIVTWCQ-CVEARBPZSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920918 454731200 /nfs/dbraw/zinc/73/12/00/454731200.db2.gz VCPMEKQIIVTWCQ-CVEARBPZSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920918 454731205 /nfs/dbraw/zinc/73/12/05/454731205.db2.gz VCPMEKQIIVTWCQ-CVEARBPZSA-N 2 2 327.472 3.321 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152967673 454747335 /nfs/dbraw/zinc/74/73/35/454747335.db2.gz AQRJCDMMHWGJJV-ICSRJNTNSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152967673 454747339 /nfs/dbraw/zinc/74/73/39/454747339.db2.gz AQRJCDMMHWGJJV-ICSRJNTNSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153119944 454761993 /nfs/dbraw/zinc/76/19/93/454761993.db2.gz PQHNKWCKNLWPQJ-PBHICJAKSA-N 2 2 338.879 3.112 10 0 EGAELP COc1cccc([C@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000176891212 454795657 /nfs/dbraw/zinc/79/56/57/454795657.db2.gz RDWANLIUOQUNIT-KRWDZBQOSA-N 2 2 342.487 3.049 10 0 EGAELP COc1cccc([C@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000176891212 454795660 /nfs/dbraw/zinc/79/56/60/454795660.db2.gz RDWANLIUOQUNIT-KRWDZBQOSA-N 2 2 342.487 3.049 10 0 EGAELP Clc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808687 454895740 /nfs/dbraw/zinc/89/57/40/454895740.db2.gz QIYQWHGLEXYONV-AWEZNQCLSA-N 2 2 336.863 3.124 10 0 EGAELP Clc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808687 454895745 /nfs/dbraw/zinc/89/57/45/454895745.db2.gz QIYQWHGLEXYONV-AWEZNQCLSA-N 2 2 336.863 3.124 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154552230 454906473 /nfs/dbraw/zinc/90/64/73/454906473.db2.gz DYEWRLMEDKXOAV-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154552230 454906475 /nfs/dbraw/zinc/90/64/75/454906475.db2.gz DYEWRLMEDKXOAV-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000178322983 454949049 /nfs/dbraw/zinc/94/90/49/454949049.db2.gz ITTDLLZKQHHOHK-ZFWWWQNUSA-N 2 2 346.862 3.337 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000178322983 454949052 /nfs/dbraw/zinc/94/90/52/454949052.db2.gz ITTDLLZKQHHOHK-ZFWWWQNUSA-N 2 2 346.862 3.337 10 0 EGAELP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151300667 454965596 /nfs/dbraw/zinc/96/55/96/454965596.db2.gz LBCDBQZEUGRVKN-PKOBYXMFSA-N 2 2 334.504 3.219 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129760230 455124605 /nfs/dbraw/zinc/12/46/05/455124605.db2.gz PGIBWJBHCBCLTK-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129760230 455124612 /nfs/dbraw/zinc/12/46/12/455124612.db2.gz PGIBWJBHCBCLTK-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129851898 455130403 /nfs/dbraw/zinc/13/04/03/455130403.db2.gz HEESNEORVWWPMF-JSGCOSHPSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129851898 455130406 /nfs/dbraw/zinc/13/04/06/455130406.db2.gz HEESNEORVWWPMF-JSGCOSHPSA-N 2 2 329.429 3.078 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180122401 455135727 /nfs/dbraw/zinc/13/57/27/455135727.db2.gz DIUSSERLNVDIJB-INIZCTEOSA-N 2 2 325.416 3.148 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180122401 455135730 /nfs/dbraw/zinc/13/57/30/455135730.db2.gz DIUSSERLNVDIJB-INIZCTEOSA-N 2 2 325.416 3.148 10 0 EGAELP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1OC ZINC000264385119 455203005 /nfs/dbraw/zinc/20/30/05/455203005.db2.gz GCWLWRSEVLOBJV-UHFFFAOYSA-N 2 2 338.879 3.464 10 0 EGAELP C[C@@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530873 455303874 /nfs/dbraw/zinc/30/38/74/455303874.db2.gz RLJIPYGNQJBSJW-SJORKVTESA-N 2 2 349.563 3.124 10 0 EGAELP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478874 455328316 /nfs/dbraw/zinc/32/83/16/455328316.db2.gz NJJLOPVPQFFVMK-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478874 455328319 /nfs/dbraw/zinc/32/83/19/455328319.db2.gz NJJLOPVPQFFVMK-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190478874 455328321 /nfs/dbraw/zinc/32/83/21/455328321.db2.gz NJJLOPVPQFFVMK-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190478874 455328323 /nfs/dbraw/zinc/32/83/23/455328323.db2.gz NJJLOPVPQFFVMK-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000245557446 455329130 /nfs/dbraw/zinc/32/91/30/455329130.db2.gz AVDFOHGDPBDEIO-KUHUBIRLSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000245557446 455329134 /nfs/dbraw/zinc/32/91/34/455329134.db2.gz AVDFOHGDPBDEIO-KUHUBIRLSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc3ccccn32)cc1 ZINC000183805868 455329403 /nfs/dbraw/zinc/32/94/03/455329403.db2.gz OESVDOVFJSTTRF-CQSZACIVSA-N 2 2 332.411 3.074 10 0 EGAELP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936699 455342963 /nfs/dbraw/zinc/34/29/63/455342963.db2.gz VGZNEGJXMJJLHZ-INIZCTEOSA-N 2 2 348.450 3.425 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000182102100 455435860 /nfs/dbraw/zinc/43/58/60/455435860.db2.gz WXBZOHFHGFFNMD-ZDUSSCGKSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000182102100 455435864 /nfs/dbraw/zinc/43/58/64/455435864.db2.gz WXBZOHFHGFFNMD-ZDUSSCGKSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000182102100 455435866 /nfs/dbraw/zinc/43/58/66/455435866.db2.gz WXBZOHFHGFFNMD-ZDUSSCGKSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000182102100 455435868 /nfs/dbraw/zinc/43/58/68/455435868.db2.gz WXBZOHFHGFFNMD-ZDUSSCGKSA-N 2 2 341.293 3.231 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)[nH]1 ZINC000266711547 455440815 /nfs/dbraw/zinc/44/08/15/455440815.db2.gz FSEALTCACLDULO-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200026 455446464 /nfs/dbraw/zinc/44/64/64/455446464.db2.gz UZDKTCBKNDHYRK-LPHOPBHVSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200026 455446468 /nfs/dbraw/zinc/44/64/68/455446468.db2.gz UZDKTCBKNDHYRK-LPHOPBHVSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200026 455446472 /nfs/dbraw/zinc/44/64/72/455446472.db2.gz UZDKTCBKNDHYRK-LPHOPBHVSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200026 455446475 /nfs/dbraw/zinc/44/64/75/455446475.db2.gz UZDKTCBKNDHYRK-LPHOPBHVSA-N 2 2 330.447 3.347 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000246265065 455459961 /nfs/dbraw/zinc/45/99/61/455459961.db2.gz ZJYDQJKVTCJZCT-WMLDXEAASA-N 2 2 342.405 3.157 10 0 EGAELP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000246265065 455459962 /nfs/dbraw/zinc/45/99/62/455459962.db2.gz ZJYDQJKVTCJZCT-WMLDXEAASA-N 2 2 342.405 3.157 10 0 EGAELP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182562907 455541726 /nfs/dbraw/zinc/54/17/26/455541726.db2.gz AEXGEMIEMAQCGE-AZCLRUCKSA-N 2 2 331.479 3.130 10 0 EGAELP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182562907 455541728 /nfs/dbraw/zinc/54/17/28/455541728.db2.gz AEXGEMIEMAQCGE-AZCLRUCKSA-N 2 2 331.479 3.130 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205035 455573374 /nfs/dbraw/zinc/57/33/74/455573374.db2.gz WOLGFSLPPZEUFC-GHTZIAJQSA-N 3 2 329.532 3.279 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205035 455573376 /nfs/dbraw/zinc/57/33/76/455573376.db2.gz WOLGFSLPPZEUFC-GHTZIAJQSA-N 3 2 329.532 3.279 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247308639 455585863 /nfs/dbraw/zinc/58/58/63/455585863.db2.gz QILUZSZNQDOEBB-YOEHRIQHSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247308639 455585867 /nfs/dbraw/zinc/58/58/67/455585867.db2.gz QILUZSZNQDOEBB-YOEHRIQHSA-N 2 2 346.862 3.367 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)c1ccccc1 ZINC000247338184 455589632 /nfs/dbraw/zinc/58/96/32/455589632.db2.gz ZNYRTUJFRJLTLJ-HOJAQTOUSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)c1ccccc1 ZINC000247338184 455589635 /nfs/dbraw/zinc/58/96/35/455589635.db2.gz ZNYRTUJFRJLTLJ-HOJAQTOUSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000247338184 455589637 /nfs/dbraw/zinc/58/96/37/455589637.db2.gz ZNYRTUJFRJLTLJ-HOJAQTOUSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000247338184 455589639 /nfs/dbraw/zinc/58/96/39/455589639.db2.gz ZNYRTUJFRJLTLJ-HOJAQTOUSA-N 2 2 345.531 3.306 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247586491 455628310 /nfs/dbraw/zinc/62/83/10/455628310.db2.gz MHSBJHJDKQYBDX-LPHOPBHVSA-N 2 2 339.439 3.120 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247586491 455628315 /nfs/dbraw/zinc/62/83/15/455628315.db2.gz MHSBJHJDKQYBDX-LPHOPBHVSA-N 2 2 339.439 3.120 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247993719 455667716 /nfs/dbraw/zinc/66/77/16/455667716.db2.gz JRMPYDXSWJXTPY-NJAFHUGGSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247993719 455667720 /nfs/dbraw/zinc/66/77/20/455667720.db2.gz JRMPYDXSWJXTPY-NJAFHUGGSA-N 2 2 331.504 3.228 10 0 EGAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@@H+]1C ZINC000284556652 455705139 /nfs/dbraw/zinc/70/51/39/455705139.db2.gz NWTXURHNOQBYJZ-OXJNMPFZSA-N 2 2 337.471 3.074 10 0 EGAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@H+]1C ZINC000284556652 455705141 /nfs/dbraw/zinc/70/51/41/455705141.db2.gz NWTXURHNOQBYJZ-OXJNMPFZSA-N 2 2 337.471 3.074 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000268869623 455716290 /nfs/dbraw/zinc/71/62/90/455716290.db2.gz HIASWPPJHJOUDF-JMSVASOKSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CC[N@H+]1C ZINC000268869623 455716294 /nfs/dbraw/zinc/71/62/94/455716294.db2.gz HIASWPPJHJOUDF-JMSVASOKSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899666 455723104 /nfs/dbraw/zinc/72/31/04/455723104.db2.gz MAQDKNMEUDAVSJ-OXJNMPFZSA-N 2 2 349.478 3.131 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899666 455723109 /nfs/dbraw/zinc/72/31/09/455723109.db2.gz MAQDKNMEUDAVSJ-OXJNMPFZSA-N 2 2 349.478 3.131 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250774546 455788768 /nfs/dbraw/zinc/78/87/68/455788768.db2.gz ORIDCOAQZJLVPY-BXUZGUMPSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250774546 455788773 /nfs/dbraw/zinc/78/87/73/455788773.db2.gz ORIDCOAQZJLVPY-BXUZGUMPSA-N 2 2 329.307 3.475 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000272381349 455932333 /nfs/dbraw/zinc/93/23/33/455932333.db2.gz DWPNHCQZSSINEP-NRSFXHEJSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000272381349 455932340 /nfs/dbraw/zinc/93/23/40/455932340.db2.gz DWPNHCQZSSINEP-NRSFXHEJSA-N 2 2 339.487 3.213 10 0 EGAELP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000262085278 455994783 /nfs/dbraw/zinc/99/47/83/455994783.db2.gz UFWKJIOEDQJYLW-CQSZACIVSA-N 2 2 334.423 3.315 10 0 EGAELP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000262085278 455994787 /nfs/dbraw/zinc/99/47/87/455994787.db2.gz UFWKJIOEDQJYLW-CQSZACIVSA-N 2 2 334.423 3.315 10 0 EGAELP COc1ccc([C@@H]2[C@H](CNc3cc(C)[nH+]cn3)CCC[N@@H+]2C)cc1 ZINC000301292417 456083471 /nfs/dbraw/zinc/08/34/71/456083471.db2.gz NYHFIFLWKLCYNP-QFBILLFUSA-N 2 2 326.444 3.289 10 0 EGAELP COc1ccc([C@@H]2[C@H](CNc3cc(C)[nH+]cn3)CCC[N@H+]2C)cc1 ZINC000301292417 456083474 /nfs/dbraw/zinc/08/34/74/456083474.db2.gz NYHFIFLWKLCYNP-QFBILLFUSA-N 2 2 326.444 3.289 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000301545343 456142589 /nfs/dbraw/zinc/14/25/89/456142589.db2.gz WMIKHYPUJHYHHU-CHWSQXEVSA-N 2 2 332.835 3.356 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000623786121 460716565 /nfs/dbraw/zinc/71/65/65/460716565.db2.gz YUJVCRXRNJBFRB-ZDUSSCGKSA-N 2 2 329.307 3.355 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000623786121 460716570 /nfs/dbraw/zinc/71/65/70/460716570.db2.gz YUJVCRXRNJBFRB-ZDUSSCGKSA-N 2 2 329.307 3.355 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000623785334 460717242 /nfs/dbraw/zinc/71/72/42/460717242.db2.gz LAWARPHIAGPSSH-IBGZPJMESA-N 2 2 326.488 3.040 10 0 EGAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1NC1CC[NH+](C)CC1 ZINC000301740233 456203127 /nfs/dbraw/zinc/20/31/27/456203127.db2.gz UEMCUGBROIEUJZ-UHFFFAOYSA-N 2 2 327.428 3.226 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297827115 456303600 /nfs/dbraw/zinc/30/36/00/456303600.db2.gz ZLEDINLJRCVADR-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297827115 456303604 /nfs/dbraw/zinc/30/36/04/456303604.db2.gz ZLEDINLJRCVADR-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297827115 456303613 /nfs/dbraw/zinc/30/36/13/456303613.db2.gz ZLEDINLJRCVADR-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297827115 456303617 /nfs/dbraw/zinc/30/36/17/456303617.db2.gz ZLEDINLJRCVADR-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000290499546 456345730 /nfs/dbraw/zinc/34/57/30/456345730.db2.gz PBLGYDYLOCZUSY-UHFFFAOYSA-N 2 2 325.456 3.192 10 0 EGAELP Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000290499546 456345733 /nfs/dbraw/zinc/34/57/33/456345733.db2.gz PBLGYDYLOCZUSY-UHFFFAOYSA-N 2 2 325.456 3.192 10 0 EGAELP OCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281900718 456355089 /nfs/dbraw/zinc/35/50/89/456355089.db2.gz BNFJIENPKMZSQE-GOSISDBHSA-N 2 2 325.456 3.091 10 0 EGAELP OCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281900718 456355095 /nfs/dbraw/zinc/35/50/95/456355095.db2.gz BNFJIENPKMZSQE-GOSISDBHSA-N 2 2 325.456 3.091 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cn4ccccc4n3)C2)n2c1CCCC2 ZINC000281979578 456381156 /nfs/dbraw/zinc/38/11/56/456381156.db2.gz HOAFSJDZZYSQIJ-INIZCTEOSA-N 2 2 335.455 3.247 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)n2c1CCCC2 ZINC000281979578 456381158 /nfs/dbraw/zinc/38/11/58/456381158.db2.gz HOAFSJDZZYSQIJ-INIZCTEOSA-N 2 2 335.455 3.247 10 0 EGAELP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282222972 456447596 /nfs/dbraw/zinc/44/75/96/456447596.db2.gz YUBNWZFMOYVCSU-MRXNPFEDSA-N 2 2 340.471 3.311 10 0 EGAELP COc1cc(C)nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282222972 456447598 /nfs/dbraw/zinc/44/75/98/456447598.db2.gz YUBNWZFMOYVCSU-MRXNPFEDSA-N 2 2 340.471 3.311 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466679 456477021 /nfs/dbraw/zinc/47/70/21/456477021.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466679 456477025 /nfs/dbraw/zinc/47/70/25/456477025.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466679 456477027 /nfs/dbraw/zinc/47/70/27/456477027.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466679 456477029 /nfs/dbraw/zinc/47/70/29/456477029.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466679 456477033 /nfs/dbraw/zinc/47/70/33/456477033.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466679 456477035 /nfs/dbraw/zinc/47/70/35/456477035.db2.gz DRTRRUDVGXZEHM-HNAYVOBHSA-N 2 2 345.466 3.135 10 0 EGAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657898786 462310974 /nfs/dbraw/zinc/31/09/74/462310974.db2.gz SGKJKLJZAPMZIX-HNNXBMFYSA-N 2 2 331.460 3.368 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000282764250 456617409 /nfs/dbraw/zinc/61/74/09/456617409.db2.gz PALBWRYJIUQPNP-INIZCTEOSA-N 2 2 341.455 3.313 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000282764250 456617413 /nfs/dbraw/zinc/61/74/13/456617413.db2.gz PALBWRYJIUQPNP-INIZCTEOSA-N 2 2 341.455 3.313 10 0 EGAELP C[NH+]1CCC(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000291470521 456652453 /nfs/dbraw/zinc/65/24/53/456652453.db2.gz JEKRBOFHMAPDKA-UHFFFAOYSA-N 2 2 332.835 3.196 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000343635951 456761155 /nfs/dbraw/zinc/76/11/55/456761155.db2.gz HQNAAUMIPNKZIM-UHFFFAOYSA-N 2 2 347.466 3.113 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000353580677 456779405 /nfs/dbraw/zinc/77/94/05/456779405.db2.gz YONPYABZUITEJJ-UHFFFAOYSA-N 2 2 339.439 3.487 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000353580677 456779413 /nfs/dbraw/zinc/77/94/13/456779413.db2.gz YONPYABZUITEJJ-UHFFFAOYSA-N 2 2 339.439 3.487 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O)Cc1ccco1 ZINC000353580677 456779419 /nfs/dbraw/zinc/77/94/19/456779419.db2.gz YONPYABZUITEJJ-UHFFFAOYSA-N 2 2 339.439 3.487 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1cc2ccccc2[nH]c1=O)Cc1ccco1 ZINC000353580677 456779422 /nfs/dbraw/zinc/77/94/22/456779422.db2.gz YONPYABZUITEJJ-UHFFFAOYSA-N 2 2 339.439 3.487 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128162 456862968 /nfs/dbraw/zinc/86/29/68/456862968.db2.gz KZOUZPOKSFQMAP-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128162 456862971 /nfs/dbraw/zinc/86/29/71/456862971.db2.gz KZOUZPOKSFQMAP-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128162 456862976 /nfs/dbraw/zinc/86/29/76/456862976.db2.gz KZOUZPOKSFQMAP-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128162 456862979 /nfs/dbraw/zinc/86/29/79/456862979.db2.gz KZOUZPOKSFQMAP-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144754 456867547 /nfs/dbraw/zinc/86/75/47/456867547.db2.gz MWERSQSMDKKPHS-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144754 456867552 /nfs/dbraw/zinc/86/75/52/456867552.db2.gz MWERSQSMDKKPHS-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292144754 456867558 /nfs/dbraw/zinc/86/75/58/456867558.db2.gz MWERSQSMDKKPHS-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292144754 456867563 /nfs/dbraw/zinc/86/75/63/456867563.db2.gz MWERSQSMDKKPHS-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292153791 456870825 /nfs/dbraw/zinc/87/08/25/456870825.db2.gz NVBKANLGHLCBGC-JXFKEZNVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292153791 456870830 /nfs/dbraw/zinc/87/08/30/456870830.db2.gz NVBKANLGHLCBGC-JXFKEZNVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292153791 456870835 /nfs/dbraw/zinc/87/08/35/456870835.db2.gz NVBKANLGHLCBGC-JXFKEZNVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292153791 456870841 /nfs/dbraw/zinc/87/08/41/456870841.db2.gz NVBKANLGHLCBGC-JXFKEZNVSA-N 2 2 329.488 3.165 10 0 EGAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000349359279 456952022 /nfs/dbraw/zinc/95/20/22/456952022.db2.gz ZLRHGCFZYORDEI-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000349359279 456952025 /nfs/dbraw/zinc/95/20/25/456952025.db2.gz ZLRHGCFZYORDEI-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000349359279 456952030 /nfs/dbraw/zinc/95/20/30/456952030.db2.gz ZLRHGCFZYORDEI-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000349359279 456952036 /nfs/dbraw/zinc/95/20/36/456952036.db2.gz ZLRHGCFZYORDEI-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP c1onc(Cc2ccccc2)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000339381110 457080976 /nfs/dbraw/zinc/08/09/76/457080976.db2.gz NOCKJRPGJNASRY-UHFFFAOYSA-N 2 2 325.456 3.372 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)o2)cc1 ZINC000339440506 457121945 /nfs/dbraw/zinc/12/19/45/457121945.db2.gz KWDFAVCKPWPZIC-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)o2)cc1 ZINC000339440506 457121953 /nfs/dbraw/zinc/12/19/53/457121953.db2.gz KWDFAVCKPWPZIC-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)o2)cc1 ZINC000339440506 457121957 /nfs/dbraw/zinc/12/19/57/457121957.db2.gz KWDFAVCKPWPZIC-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)o2)cc1 ZINC000339440506 457121964 /nfs/dbraw/zinc/12/19/64/457121964.db2.gz KWDFAVCKPWPZIC-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP Fc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000342418137 457292266 /nfs/dbraw/zinc/29/22/66/457292266.db2.gz OBUDHWIWBWYFLR-AWEZNQCLSA-N 2 2 329.400 3.166 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342594430 457387584 /nfs/dbraw/zinc/38/75/84/457387584.db2.gz PRYGRPHCDZLNMB-OAHLLOKOSA-N 2 2 340.471 3.029 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)nc1 ZINC000360972893 457481036 /nfs/dbraw/zinc/48/10/36/457481036.db2.gz DPFMUALCYCIZIM-QWFCFKBJSA-N 2 2 343.515 3.231 10 0 EGAELP CS[C@@H]1CC[C@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000425353890 457513648 /nfs/dbraw/zinc/51/36/48/457513648.db2.gz NKXKMGZHOIDXQZ-CGTJXYLNSA-N 2 2 334.529 3.370 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1Br ZINC000401733254 457530079 /nfs/dbraw/zinc/53/00/79/457530079.db2.gz WDKMOOLLAZQUKF-GMXVVIOVSA-N 2 2 327.266 3.106 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000342822131 457542393 /nfs/dbraw/zinc/54/23/93/457542393.db2.gz QIFLOMUHDZUFOT-UHFFFAOYSA-N 2 2 331.460 3.443 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357692900 457659143 /nfs/dbraw/zinc/65/91/43/457659143.db2.gz MAGMWYNKTYCNDU-IAGOWNOFSA-N 2 2 332.492 3.221 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357692900 457659148 /nfs/dbraw/zinc/65/91/48/457659148.db2.gz MAGMWYNKTYCNDU-IAGOWNOFSA-N 2 2 332.492 3.221 10 0 EGAELP CCC[C@H]1C(=O)NCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361352201 457703312 /nfs/dbraw/zinc/70/33/12/457703312.db2.gz CVKUTZRBDHXSIP-IBGZPJMESA-N 2 2 342.487 3.116 10 0 EGAELP CCC[C@H]1C(=O)NCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361352201 457703314 /nfs/dbraw/zinc/70/33/14/457703314.db2.gz CVKUTZRBDHXSIP-IBGZPJMESA-N 2 2 342.487 3.116 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361380952 457713289 /nfs/dbraw/zinc/71/32/89/457713289.db2.gz ZJSGEHRPKYTPSE-HZPDHXFCSA-N 2 2 347.528 3.356 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000443616273 457788767 /nfs/dbraw/zinc/78/87/67/457788767.db2.gz QYLAJBALAAYIKK-JXFKEZNVSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000443616273 457788770 /nfs/dbraw/zinc/78/87/70/457788770.db2.gz QYLAJBALAAYIKK-JXFKEZNVSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000443616279 457789089 /nfs/dbraw/zinc/78/90/89/457789089.db2.gz QYLAJBALAAYIKK-UZLBHIALSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000443616279 457789094 /nfs/dbraw/zinc/78/90/94/457789094.db2.gz QYLAJBALAAYIKK-UZLBHIALSA-N 2 2 347.934 3.429 10 0 EGAELP Cc1nc2ccc(C[NH+]3CCN(c4cc[nH+]c(C)n4)CC3)cc2s1 ZINC000426354621 457808371 /nfs/dbraw/zinc/80/83/71/457808371.db2.gz UNTRYFRHELQEDL-UHFFFAOYSA-N 2 2 339.468 3.025 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000358226862 457872320 /nfs/dbraw/zinc/87/23/20/457872320.db2.gz PBBHOTIADDHUAP-UHFFFAOYSA-N 2 2 339.483 3.061 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000358226862 457872327 /nfs/dbraw/zinc/87/23/27/457872327.db2.gz PBBHOTIADDHUAP-UHFFFAOYSA-N 2 2 339.483 3.061 10 0 EGAELP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876855 /nfs/dbraw/zinc/87/68/55/457876855.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 2 2 327.516 3.281 10 0 EGAELP CC1=CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876860 /nfs/dbraw/zinc/87/68/60/457876860.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 2 2 327.516 3.281 10 0 EGAELP Cn1c[nH+]cc1CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000361987153 457992719 /nfs/dbraw/zinc/99/27/19/457992719.db2.gz SILNPDBPCPIVDR-GOSISDBHSA-N 2 2 348.441 3.404 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427888789 458048549 /nfs/dbraw/zinc/04/85/49/458048549.db2.gz DXRWHDZSQINWBM-WIYYLYMNSA-N 2 2 345.531 3.278 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427888789 458048554 /nfs/dbraw/zinc/04/85/54/458048554.db2.gz DXRWHDZSQINWBM-WIYYLYMNSA-N 2 2 345.531 3.278 10 0 EGAELP CC[NH+]1CCC(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000358648358 458127980 /nfs/dbraw/zinc/12/79/80/458127980.db2.gz IPQFADFJIMGNGF-UHFFFAOYSA-N 3 2 335.458 3.115 10 0 EGAELP CC(C)c1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc[nH+]1 ZINC000369528389 458250350 /nfs/dbraw/zinc/25/03/50/458250350.db2.gz ARJWGMJUNJKBGT-UHFFFAOYSA-N 2 2 342.409 3.239 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000369535330 458254244 /nfs/dbraw/zinc/25/42/44/458254244.db2.gz ABSRGUDLHHGJCT-UHFFFAOYSA-N 2 2 340.414 3.403 10 0 EGAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277572 458261739 /nfs/dbraw/zinc/26/17/39/458261739.db2.gz JIVZANKQHWKOOC-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277572 458261743 /nfs/dbraw/zinc/26/17/43/458261743.db2.gz JIVZANKQHWKOOC-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277572 458261747 /nfs/dbraw/zinc/26/17/47/458261747.db2.gz JIVZANKQHWKOOC-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277572 458261751 /nfs/dbraw/zinc/26/17/51/458261751.db2.gz JIVZANKQHWKOOC-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277571 458261817 /nfs/dbraw/zinc/26/18/17/458261817.db2.gz JIVZANKQHWKOOC-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277571 458261822 /nfs/dbraw/zinc/26/18/22/458261822.db2.gz JIVZANKQHWKOOC-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277571 458261828 /nfs/dbraw/zinc/26/18/28/458261828.db2.gz JIVZANKQHWKOOC-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277571 458261832 /nfs/dbraw/zinc/26/18/32/458261832.db2.gz JIVZANKQHWKOOC-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000429139068 458278511 /nfs/dbraw/zinc/27/85/11/458278511.db2.gz VPWJFNVXBRFRHN-SFHVURJKSA-N 2 2 329.444 3.200 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000429139068 458278516 /nfs/dbraw/zinc/27/85/16/458278516.db2.gz VPWJFNVXBRFRHN-SFHVURJKSA-N 2 2 329.444 3.200 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447814920 458346298 /nfs/dbraw/zinc/34/62/98/458346298.db2.gz AZFVDSLEBODJMI-AWEZNQCLSA-N 2 2 328.859 3.112 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447814920 458346305 /nfs/dbraw/zinc/34/63/05/458346305.db2.gz AZFVDSLEBODJMI-AWEZNQCLSA-N 2 2 328.859 3.112 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000459413827 458363943 /nfs/dbraw/zinc/36/39/43/458363943.db2.gz RQKZWRVTFAEDLX-INIZCTEOSA-N 2 2 339.361 3.055 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000459413827 458363949 /nfs/dbraw/zinc/36/39/49/458363949.db2.gz RQKZWRVTFAEDLX-INIZCTEOSA-N 2 2 339.361 3.055 10 0 EGAELP COCc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000459430622 458368977 /nfs/dbraw/zinc/36/89/77/458368977.db2.gz LFHLXSDIGIIDCO-GUYCJALGSA-N 2 2 335.473 3.055 10 0 EGAELP COCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459430622 458368980 /nfs/dbraw/zinc/36/89/80/458368980.db2.gz LFHLXSDIGIIDCO-GUYCJALGSA-N 2 2 335.473 3.055 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495671 458443835 /nfs/dbraw/zinc/44/38/35/458443835.db2.gz CKHKMIZAKXNOLW-LAUBAEHRSA-N 3 2 329.532 3.189 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC(C)C ZINC000377788119 458528755 /nfs/dbraw/zinc/52/87/55/458528755.db2.gz UGXQIIHWBSKCDT-INIZCTEOSA-N 2 2 343.471 3.490 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC(C)C ZINC000377788119 458528760 /nfs/dbraw/zinc/52/87/60/458528760.db2.gz UGXQIIHWBSKCDT-INIZCTEOSA-N 2 2 343.471 3.490 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000424144294 458570198 /nfs/dbraw/zinc/57/01/98/458570198.db2.gz LBDYWSMACYPFMF-OAHLLOKOSA-N 2 2 332.835 3.013 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424259697 458596068 /nfs/dbraw/zinc/59/60/68/458596068.db2.gz APFABIVWPDMMJU-ZWKOTPCHSA-N 2 2 345.512 3.127 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424259697 458596074 /nfs/dbraw/zinc/59/60/74/458596074.db2.gz APFABIVWPDMMJU-ZWKOTPCHSA-N 2 2 345.512 3.127 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000462788126 458652988 /nfs/dbraw/zinc/65/29/88/458652988.db2.gz DVVHJOYYPQRKKO-ZWKOTPCHSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000462788126 458652993 /nfs/dbraw/zinc/65/29/93/458652993.db2.gz DVVHJOYYPQRKKO-ZWKOTPCHSA-N 2 2 330.472 3.358 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022974 458656291 /nfs/dbraw/zinc/65/62/91/458656291.db2.gz QHWNKYPSTPERHA-MSOLQXFVSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022974 458656295 /nfs/dbraw/zinc/65/62/95/458656295.db2.gz QHWNKYPSTPERHA-MSOLQXFVSA-N 2 2 349.906 3.076 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218183 458719356 /nfs/dbraw/zinc/71/93/56/458719356.db2.gz VTEMVMCXLNJHLE-JQWIXIFHSA-N 2 2 327.291 3.372 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244754 458729016 /nfs/dbraw/zinc/72/90/16/458729016.db2.gz PWUNEEONQZPHIA-WMLDXEAASA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244754 458729022 /nfs/dbraw/zinc/72/90/22/458729022.db2.gz PWUNEEONQZPHIA-WMLDXEAASA-N 2 2 326.843 3.119 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)C(F)(F)F)CCCC1)c1ccccc1 ZINC000576862876 458937467 /nfs/dbraw/zinc/93/74/67/458937467.db2.gz GBVSGWWPJWOPSH-UKRRQHHQSA-N 2 2 330.394 3.163 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000566476221 458945301 /nfs/dbraw/zinc/94/53/01/458945301.db2.gz VRNYXPYXTYVEQD-UHFFFAOYSA-N 2 2 349.219 3.233 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840004 459018732 /nfs/dbraw/zinc/01/87/32/459018732.db2.gz KDRGVMRFQYFIFG-MAUKXSAKSA-N 2 2 345.397 3.186 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840004 459018736 /nfs/dbraw/zinc/01/87/36/459018736.db2.gz KDRGVMRFQYFIFG-MAUKXSAKSA-N 2 2 345.397 3.186 10 0 EGAELP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000532194972 459044633 /nfs/dbraw/zinc/04/46/33/459044633.db2.gz QWUQXPOEUYHRQM-CQSZACIVSA-N 2 2 344.850 3.248 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000594500861 459063257 /nfs/dbraw/zinc/06/32/57/459063257.db2.gz AGSBSSSSJLJKAV-SFHVURJKSA-N 2 2 339.439 3.173 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443005698 459073657 /nfs/dbraw/zinc/07/36/57/459073657.db2.gz YGZVPDYWSHVVSL-UZLBHIALSA-N 2 2 327.472 3.488 10 0 EGAELP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126628 459089632 /nfs/dbraw/zinc/08/96/32/459089632.db2.gz RDJUWNANYNYZHI-RXVVDRJESA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126628 459089638 /nfs/dbraw/zinc/08/96/38/459089638.db2.gz RDJUWNANYNYZHI-RXVVDRJESA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126628 459089642 /nfs/dbraw/zinc/08/96/42/459089642.db2.gz RDJUWNANYNYZHI-RXVVDRJESA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126628 459089649 /nfs/dbraw/zinc/08/96/49/459089649.db2.gz RDJUWNANYNYZHI-RXVVDRJESA-N 2 2 326.484 3.215 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000595008165 459214276 /nfs/dbraw/zinc/21/42/76/459214276.db2.gz RPILBYHKQJAJHT-HNNXBMFYSA-N 2 2 333.476 3.008 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000595056187 459230978 /nfs/dbraw/zinc/23/09/78/459230978.db2.gz CKHRYOWWPMZPGY-AEFFLSMTSA-N 2 2 330.472 3.313 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000595056187 459230984 /nfs/dbraw/zinc/23/09/84/459230984.db2.gz CKHRYOWWPMZPGY-AEFFLSMTSA-N 2 2 330.472 3.313 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000560405134 459339031 /nfs/dbraw/zinc/33/90/31/459339031.db2.gz PCAHULWDUBZDAT-UONOGXRCSA-N 2 2 344.484 3.231 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000560405134 459339038 /nfs/dbraw/zinc/33/90/38/459339038.db2.gz PCAHULWDUBZDAT-UONOGXRCSA-N 2 2 344.484 3.231 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000484925718 459436018 /nfs/dbraw/zinc/43/60/18/459436018.db2.gz OQRQNOCGTAZTKT-RTBURBONSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000484925718 459436025 /nfs/dbraw/zinc/43/60/25/459436025.db2.gz OQRQNOCGTAZTKT-RTBURBONSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484925718 459436028 /nfs/dbraw/zinc/43/60/28/459436028.db2.gz OQRQNOCGTAZTKT-RTBURBONSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000484925718 459436032 /nfs/dbraw/zinc/43/60/32/459436032.db2.gz OQRQNOCGTAZTKT-RTBURBONSA-N 2 2 339.568 3.322 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866860 459458839 /nfs/dbraw/zinc/45/88/39/459458839.db2.gz HYSCQOYHIXYQSP-ZWKOTPCHSA-N 2 2 340.471 3.472 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866860 459458840 /nfs/dbraw/zinc/45/88/40/459458840.db2.gz HYSCQOYHIXYQSP-ZWKOTPCHSA-N 2 2 340.471 3.472 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ncccc2F)CC1 ZINC000562517835 459575930 /nfs/dbraw/zinc/57/59/30/459575930.db2.gz JELOWDNMNXEEKN-MRXNPFEDSA-N 2 2 327.447 3.406 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000527634304 459678763 /nfs/dbraw/zinc/67/87/63/459678763.db2.gz WVXDTYPVECBPNR-TXEJJXNPSA-N 2 2 347.322 3.100 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000527634304 459678757 /nfs/dbraw/zinc/67/87/57/459678757.db2.gz WVXDTYPVECBPNR-TXEJJXNPSA-N 2 2 347.322 3.100 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OC(F)F ZINC000527810740 459746944 /nfs/dbraw/zinc/74/69/44/459746944.db2.gz VRNDXORGXDVFCW-OAHLLOKOSA-N 2 2 340.414 3.403 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OC(F)F ZINC000527810740 459746945 /nfs/dbraw/zinc/74/69/45/459746945.db2.gz VRNDXORGXDVFCW-OAHLLOKOSA-N 2 2 340.414 3.403 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(Cl)c1OC ZINC000527811529 459746998 /nfs/dbraw/zinc/74/69/98/459746998.db2.gz XSNRGOYNAOMUFL-HNNXBMFYSA-N 2 2 338.879 3.464 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(Cl)c1OC ZINC000527811529 459746999 /nfs/dbraw/zinc/74/69/99/459746999.db2.gz XSNRGOYNAOMUFL-HNNXBMFYSA-N 2 2 338.879 3.464 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943705 459779107 /nfs/dbraw/zinc/77/91/07/459779107.db2.gz BMTVUGSHWQOADQ-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943705 459779110 /nfs/dbraw/zinc/77/91/10/459779110.db2.gz BMTVUGSHWQOADQ-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006896 459794363 /nfs/dbraw/zinc/79/43/63/459794363.db2.gz AIHXWHSRXIWJEK-DOTOQJQBSA-N 2 2 326.488 3.491 10 0 EGAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006896 459794368 /nfs/dbraw/zinc/79/43/68/459794368.db2.gz AIHXWHSRXIWJEK-DOTOQJQBSA-N 2 2 326.488 3.491 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528010119 459796035 /nfs/dbraw/zinc/79/60/35/459796035.db2.gz IPCGHATYVLTVEA-APWZRJJASA-N 2 2 332.488 3.379 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528010119 459796037 /nfs/dbraw/zinc/79/60/37/459796037.db2.gz IPCGHATYVLTVEA-APWZRJJASA-N 2 2 332.488 3.379 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173554 459861941 /nfs/dbraw/zinc/86/19/41/459861941.db2.gz JZFUICPCAQWOBX-GOSISDBHSA-N 2 2 341.455 3.170 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173554 459861946 /nfs/dbraw/zinc/86/19/46/459861946.db2.gz JZFUICPCAQWOBX-GOSISDBHSA-N 2 2 341.455 3.170 10 0 EGAELP CC(C)CCOC1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000588686908 459968231 /nfs/dbraw/zinc/96/82/31/459968231.db2.gz IQHATTIVCKGUAC-FQEVSTJZSA-N 2 2 348.531 3.006 10 0 EGAELP CC(C)CCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000588686908 459968239 /nfs/dbraw/zinc/96/82/39/459968239.db2.gz IQHATTIVCKGUAC-FQEVSTJZSA-N 2 2 348.531 3.006 10 0 EGAELP CC(C)[N@@H+](Cc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588692425 459969989 /nfs/dbraw/zinc/96/99/89/459969989.db2.gz XVTFOHFLHUIJCX-GOSISDBHSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[N@H+](Cc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588692425 459969995 /nfs/dbraw/zinc/96/99/95/459969995.db2.gz XVTFOHFLHUIJCX-GOSISDBHSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[NH+](Cc1cccs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588692425 459970000 /nfs/dbraw/zinc/97/00/00/459970000.db2.gz XVTFOHFLHUIJCX-GOSISDBHSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[NH+](Cc1cccs1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588692425 459970003 /nfs/dbraw/zinc/97/00/03/459970003.db2.gz XVTFOHFLHUIJCX-GOSISDBHSA-N 2 2 332.513 3.451 10 0 EGAELP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000613994690 459986256 /nfs/dbraw/zinc/98/62/56/459986256.db2.gz AJFVISOSJSUYBD-CALCHBBNSA-N 2 2 345.446 3.169 10 0 EGAELP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000613994690 459986264 /nfs/dbraw/zinc/98/62/64/459986264.db2.gz AJFVISOSJSUYBD-CALCHBBNSA-N 2 2 345.446 3.169 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000575993301 460047498 /nfs/dbraw/zinc/04/74/98/460047498.db2.gz ZKAYDJLOWNIULM-UHFFFAOYSA-N 2 2 332.488 3.208 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253353 460092548 /nfs/dbraw/zinc/09/25/48/460092548.db2.gz GHYPQLNWNHBQAC-SCLBCKFNSA-N 2 2 331.435 3.152 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253353 460092554 /nfs/dbraw/zinc/09/25/54/460092554.db2.gz GHYPQLNWNHBQAC-SCLBCKFNSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253353 460092556 /nfs/dbraw/zinc/09/25/56/460092556.db2.gz GHYPQLNWNHBQAC-SCLBCKFNSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253353 460092562 /nfs/dbraw/zinc/09/25/62/460092562.db2.gz GHYPQLNWNHBQAC-SCLBCKFNSA-N 2 2 331.435 3.152 10 0 EGAELP CCCc1nc(C)c(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)o1 ZINC000626089406 460367124 /nfs/dbraw/zinc/36/71/24/460367124.db2.gz PFIICKBMSKUJSY-UHFFFAOYSA-N 2 2 335.492 3.012 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629393852 460748431 /nfs/dbraw/zinc/74/84/31/460748431.db2.gz CSQMEGORQQRILA-OCCSQVGLSA-N 2 2 326.868 3.368 10 0 EGAELP C[C@@H]1CCC[N@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623860644 460748382 /nfs/dbraw/zinc/74/83/82/460748382.db2.gz AJICPYQJEHDMAE-MRXNPFEDSA-N 2 2 337.471 3.141 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623860644 460748388 /nfs/dbraw/zinc/74/83/88/460748388.db2.gz AJICPYQJEHDMAE-MRXNPFEDSA-N 2 2 337.471 3.141 10 0 EGAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1csc(-c2ccccc2F)n1 ZINC000629520112 460792634 /nfs/dbraw/zinc/79/26/34/460792634.db2.gz KLOSQENAGMNDIG-LBPRGKRZSA-N 2 2 335.448 3.108 10 0 EGAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC000629521011 460793155 /nfs/dbraw/zinc/79/31/55/460793155.db2.gz KMMHLRJCZVNFFZ-JTQLQIEISA-N 2 2 334.794 3.100 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629527170 460795833 /nfs/dbraw/zinc/79/58/33/460795833.db2.gz MICYMYCLORHBOM-YMQHIKHWSA-N 3 2 327.516 3.017 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629527170 460795839 /nfs/dbraw/zinc/79/58/39/460795839.db2.gz MICYMYCLORHBOM-YMQHIKHWSA-N 3 2 327.516 3.017 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000629526494 460796486 /nfs/dbraw/zinc/79/64/86/460796486.db2.gz WJPZOLUHZMFQON-SOUVJXGZSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C[NH2+]1 ZINC000629538408 460800630 /nfs/dbraw/zinc/80/06/30/460800630.db2.gz MAIOJZSZDGRRQL-XDMRBOTDSA-N 2 2 327.241 3.306 10 0 EGAELP C[NH2+]CCOCC[N@H+](C)Cc1c(Cl)ccc(Cl)c1Cl ZINC000629652233 460847336 /nfs/dbraw/zinc/84/73/36/460847336.db2.gz DAGOLJSGUAQCIC-UHFFFAOYSA-N 2 2 325.667 3.315 10 0 EGAELP C[NH2+]CCOCC[N@@H+](C)Cc1c(Cl)ccc(Cl)c1Cl ZINC000629652233 460847339 /nfs/dbraw/zinc/84/73/39/460847339.db2.gz DAGOLJSGUAQCIC-UHFFFAOYSA-N 2 2 325.667 3.315 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659645 460853523 /nfs/dbraw/zinc/85/35/23/460853523.db2.gz DPMSIXOIARMPAN-FZKQIMNGSA-N 2 2 346.906 3.432 10 0 EGAELP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@@H]3COCC[NH2+]3)c2)c1 ZINC000629733105 460894819 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c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1noc(C3CC3)n1)C[NH2+]CC2 ZINC000652337499 461138808 /nfs/dbraw/zinc/13/88/08/461138808.db2.gz PTRWSLHENFZWRT-GOSISDBHSA-N 2 2 338.455 3.320 10 0 EGAELP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1noc(C3CC3)n1)C[NH2+]CC2 ZINC000652337499 461138812 /nfs/dbraw/zinc/13/88/12/461138812.db2.gz PTRWSLHENFZWRT-GOSISDBHSA-N 2 2 338.455 3.320 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CCO1 ZINC000662321826 461192825 /nfs/dbraw/zinc/19/28/25/461192825.db2.gz JVWSGGYIWFMMOR-QGZVFWFLSA-N 2 2 347.434 3.023 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CCO1 ZINC000662321826 461192832 /nfs/dbraw/zinc/19/28/32/461192832.db2.gz JVWSGGYIWFMMOR-QGZVFWFLSA-N 2 2 347.434 3.023 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324647 461193713 /nfs/dbraw/zinc/19/37/13/461193713.db2.gz ZTSMKMUYBDJTDJ-INIZCTEOSA-N 2 2 349.500 3.254 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324647 461193722 /nfs/dbraw/zinc/19/37/22/461193722.db2.gz ZTSMKMUYBDJTDJ-INIZCTEOSA-N 2 2 349.500 3.254 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H](C)SC3)CCCC2)CC1 ZINC000655712515 461382508 /nfs/dbraw/zinc/38/25/08/461382508.db2.gz SRLLPJQXMKHSRM-HZPDHXFCSA-N 2 2 326.550 3.284 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1F ZINC000655718402 461386368 /nfs/dbraw/zinc/38/63/68/461386368.db2.gz NJDJSNLUYRZYQT-UHFFFAOYSA-N 2 2 339.418 3.142 10 0 EGAELP C[C@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CS1 ZINC000655743859 461410831 /nfs/dbraw/zinc/41/08/31/461410831.db2.gz KHOXNBWBFISXDO-LSDHHAIUSA-N 2 2 334.533 3.308 10 0 EGAELP CCCCCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739762 461411323 /nfs/dbraw/zinc/41/13/23/461411323.db2.gz CMIUWVKWNQTACZ-FQEVSTJZSA-N 2 2 346.515 3.287 10 0 EGAELP CCCCCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739762 461411332 /nfs/dbraw/zinc/41/13/32/461411332.db2.gz CMIUWVKWNQTACZ-FQEVSTJZSA-N 2 2 346.515 3.287 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759501 461424250 /nfs/dbraw/zinc/42/42/50/461424250.db2.gz OHFRRQAIXOKUQS-BHIYHBOVSA-N 2 2 334.529 3.151 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759501 461424259 /nfs/dbraw/zinc/42/42/59/461424259.db2.gz OHFRRQAIXOKUQS-BHIYHBOVSA-N 2 2 334.529 3.151 10 0 EGAELP COc1cncc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000631064603 461516415 /nfs/dbraw/zinc/51/64/15/461516415.db2.gz LZZKHHZSYCSZDA-LPHOPBHVSA-N 2 2 325.456 3.324 10 0 EGAELP COc1cncc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000631064603 461516425 /nfs/dbraw/zinc/51/64/25/461516425.db2.gz LZZKHHZSYCSZDA-LPHOPBHVSA-N 2 2 325.456 3.324 10 0 EGAELP c1[nH+]c(C2CCCCC2)n2c1C[C@@H](c1nc([C@H]3CCC[NH2+]3)no1)CC2 ZINC000647146975 461524516 /nfs/dbraw/zinc/52/45/16/461524516.db2.gz GUEMJQWBCFRCHU-GOEBONIOSA-N 2 2 341.459 3.468 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)[C@H](c2ccccc2)C1 ZINC000647249405 461589811 /nfs/dbraw/zinc/58/98/11/461589811.db2.gz YDZUPOXDQFTAKG-SJORKVTESA-N 2 2 341.524 3.457 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)[C@H](c2ccccc2)C1 ZINC000647249405 461589817 /nfs/dbraw/zinc/58/98/17/461589817.db2.gz YDZUPOXDQFTAKG-SJORKVTESA-N 2 2 341.524 3.457 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660127393 461599737 /nfs/dbraw/zinc/59/97/37/461599737.db2.gz MWYYKXRXKOLMRW-PBHICJAKSA-N 2 2 335.398 3.233 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660127393 461599746 /nfs/dbraw/zinc/59/97/46/461599746.db2.gz MWYYKXRXKOLMRW-PBHICJAKSA-N 2 2 335.398 3.233 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CCC(c4[nH]cc[nH+]4)CC3)n2)C1 ZINC000656113112 461599961 /nfs/dbraw/zinc/59/99/61/461599961.db2.gz FCNKHFVQXHEOSW-UHFFFAOYSA-N 2 2 340.475 3.210 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(F)(F)C(C)(C)C)c2cc1C ZINC000663380384 461603338 /nfs/dbraw/zinc/60/33/38/461603338.db2.gz XLLHBVUINWLSCX-CQSZACIVSA-N 2 2 339.430 3.285 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@@H]([NH2+]C(C)C)C3)c2cc1OC ZINC000663488812 461669736 /nfs/dbraw/zinc/66/97/36/461669736.db2.gz YRUBNMKUCFXURU-OAHLLOKOSA-N 2 2 329.444 3.219 10 0 EGAELP c1c(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000663499622 461672369 /nfs/dbraw/zinc/67/23/69/461672369.db2.gz ZNUQPZICYHPTCC-UHFFFAOYSA-N 2 2 344.462 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](CC(N)=O)C1CCCC1 ZINC000643369396 461709060 /nfs/dbraw/zinc/70/90/60/461709060.db2.gz QOIHYPRJAQBRAP-UHFFFAOYSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000643369396 461709069 /nfs/dbraw/zinc/70/90/69/461709069.db2.gz QOIHYPRJAQBRAP-UHFFFAOYSA-N 2 2 342.487 3.245 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000653580489 461738221 /nfs/dbraw/zinc/73/82/21/461738221.db2.gz SEDVHTGSGPPECO-HXUWFJFHSA-N 2 2 345.531 3.030 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000653580489 461738230 /nfs/dbraw/zinc/73/82/30/461738230.db2.gz SEDVHTGSGPPECO-HXUWFJFHSA-N 2 2 345.531 3.030 10 0 EGAELP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553630 461763747 /nfs/dbraw/zinc/76/37/47/461763747.db2.gz FNKGBURABZSUFC-XJKCOSOUSA-N 2 2 326.843 3.241 10 0 EGAELP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553630 461763753 /nfs/dbraw/zinc/76/37/53/461763753.db2.gz FNKGBURABZSUFC-XJKCOSOUSA-N 2 2 326.843 3.241 10 0 EGAELP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614776 461773270 /nfs/dbraw/zinc/77/32/70/461773270.db2.gz JQUCJIZGSDDPCZ-PMACEKPBSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614776 461773274 /nfs/dbraw/zinc/77/32/74/461773274.db2.gz JQUCJIZGSDDPCZ-PMACEKPBSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614776 461773279 /nfs/dbraw/zinc/77/32/79/461773279.db2.gz JQUCJIZGSDDPCZ-PMACEKPBSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614776 461773285 /nfs/dbraw/zinc/77/32/85/461773285.db2.gz JQUCJIZGSDDPCZ-PMACEKPBSA-N 2 2 328.500 3.156 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000660481583 461803703 /nfs/dbraw/zinc/80/37/03/461803703.db2.gz RQJBQVRYPXWIOG-ZDUSSCGKSA-N 2 2 332.473 3.064 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000660481583 461803710 /nfs/dbraw/zinc/80/37/10/461803710.db2.gz RQJBQVRYPXWIOG-ZDUSSCGKSA-N 2 2 332.473 3.064 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000656702690 461849146 /nfs/dbraw/zinc/84/91/46/461849146.db2.gz RKZXTPRUULLZQJ-GJZGRUSLSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000656702690 461849150 /nfs/dbraw/zinc/84/91/50/461849150.db2.gz RKZXTPRUULLZQJ-GJZGRUSLSA-N 2 2 344.421 3.071 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876490 461866977 /nfs/dbraw/zinc/86/69/77/461866977.db2.gz PTACILBPHPTXEA-SJLPKXTDSA-N 2 2 333.382 3.018 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876490 461866984 /nfs/dbraw/zinc/86/69/84/461866984.db2.gz PTACILBPHPTXEA-SJLPKXTDSA-N 2 2 333.382 3.018 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900850 461876585 /nfs/dbraw/zinc/87/65/85/461876585.db2.gz FWWBEPDORXQKNX-RLFYNMQTSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900850 461876592 /nfs/dbraw/zinc/87/65/92/461876592.db2.gz FWWBEPDORXQKNX-RLFYNMQTSA-N 2 2 347.528 3.200 10 0 EGAELP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(C)(C)[NH3+] ZINC000656784240 461894551 /nfs/dbraw/zinc/89/45/51/461894551.db2.gz BHOFWUCJDXLDKE-UHFFFAOYSA-N 2 2 327.476 3.229 10 0 EGAELP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(C)(C)[NH3+] ZINC000656784240 461894557 /nfs/dbraw/zinc/89/45/57/461894557.db2.gz BHOFWUCJDXLDKE-UHFFFAOYSA-N 2 2 327.476 3.229 10 0 EGAELP c1cn(Cc2ccccc2)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[nH+]1 ZINC000656789190 461900014 /nfs/dbraw/zinc/90/00/14/461900014.db2.gz PYNQZTFLRXDHLE-NHCUHLMSSA-N 2 2 346.478 3.167 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2OC)cc1F ZINC000656790615 461901087 /nfs/dbraw/zinc/90/10/87/461901087.db2.gz DUSKNTGPXPTFGG-WMZOPIPTSA-N 2 2 344.430 3.078 10 0 EGAELP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000656792224 461903329 /nfs/dbraw/zinc/90/33/29/461903329.db2.gz SBFMYWZAFLADJE-INIZCTEOSA-N 2 2 327.394 3.263 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000664008640 461911693 /nfs/dbraw/zinc/91/16/93/461911693.db2.gz IQICYUMZZCVKEE-UHFFFAOYSA-N 2 2 329.419 3.065 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000664008640 461911700 /nfs/dbraw/zinc/91/17/00/461911700.db2.gz IQICYUMZZCVKEE-UHFFFAOYSA-N 2 2 329.419 3.065 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000648029627 461949687 /nfs/dbraw/zinc/94/96/87/461949687.db2.gz OTKWUOMVLNSWEP-LJQANCHMSA-N 2 2 334.423 3.229 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000648029627 461949691 /nfs/dbraw/zinc/94/96/91/461949691.db2.gz OTKWUOMVLNSWEP-LJQANCHMSA-N 2 2 334.423 3.229 10 0 EGAELP O[C@@H]1CC[N@H+](Cc2ccc(CNc3ccc4ccccc4[nH+]3)cc2)C1 ZINC000664239621 461994127 /nfs/dbraw/zinc/99/41/27/461994127.db2.gz QRITUGSTBVWNOV-LJQANCHMSA-N 2 2 333.435 3.414 10 0 EGAELP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3ccc4ccccc4[nH+]3)cc2)C1 ZINC000664239621 461994130 /nfs/dbraw/zinc/99/41/30/461994130.db2.gz QRITUGSTBVWNOV-LJQANCHMSA-N 2 2 333.435 3.414 10 0 EGAELP CC(C)(C)c1csc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657348986 462063665 /nfs/dbraw/zinc/06/36/65/462063665.db2.gz AENCKGXBCVYFNU-UHFFFAOYSA-N 2 2 327.457 3.311 10 0 EGAELP CC[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CO1 ZINC000657369870 462078109 /nfs/dbraw/zinc/07/81/09/462078109.db2.gz HTNBZNFGQWXBON-YTQUADARSA-N 2 2 332.488 3.044 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387071 462089293 /nfs/dbraw/zinc/08/92/93/462089293.db2.gz PNTHGBHGGLDPIT-JXFKEZNVSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387071 462089300 /nfs/dbraw/zinc/08/93/00/462089300.db2.gz PNTHGBHGGLDPIT-JXFKEZNVSA-N 2 2 339.487 3.003 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000645164942 462211718 /nfs/dbraw/zinc/21/17/18/462211718.db2.gz XJWGHIXUUGNGEK-IBGZPJMESA-N 2 2 338.499 3.150 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000645164942 462211724 /nfs/dbraw/zinc/21/17/24/462211724.db2.gz XJWGHIXUUGNGEK-IBGZPJMESA-N 2 2 338.499 3.150 10 0 EGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)C(F)F ZINC000651398743 462213814 /nfs/dbraw/zinc/21/38/14/462213814.db2.gz LZPKWZCZBBSAHC-HRCADAONSA-N 2 2 326.431 3.034 10 0 EGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)C(F)F ZINC000651398743 462213818 /nfs/dbraw/zinc/21/38/18/462213818.db2.gz LZPKWZCZBBSAHC-HRCADAONSA-N 2 2 326.431 3.034 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000657672994 462223506 /nfs/dbraw/zinc/22/35/06/462223506.db2.gz GLEXPNPSTSGICM-RDJZCZTQSA-N 2 2 343.446 3.372 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000657672994 462223509 /nfs/dbraw/zinc/22/35/09/462223509.db2.gz GLEXPNPSTSGICM-RDJZCZTQSA-N 2 2 343.446 3.372 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000648742865 462257169 /nfs/dbraw/zinc/25/71/69/462257169.db2.gz SYPVMTYPSBGWAU-CYBMUJFWSA-N 2 2 341.390 3.360 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774445 462261645 /nfs/dbraw/zinc/26/16/45/462261645.db2.gz YTTMUOZMYSZLGB-LJQANCHMSA-N 2 2 338.499 3.295 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774445 462261648 /nfs/dbraw/zinc/26/16/48/462261648.db2.gz YTTMUOZMYSZLGB-LJQANCHMSA-N 2 2 338.499 3.295 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1cc2cnccc2o1 ZINC000657943010 462324239 /nfs/dbraw/zinc/32/42/39/462324239.db2.gz LZBUHEJNJIMCJI-AWEZNQCLSA-N 2 2 337.427 3.148 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](CCF)C3)c2cc1C ZINC000661693631 462369430 /nfs/dbraw/zinc/36/94/30/462369430.db2.gz QUBOJVGPXCVZPV-IAGOWNOFSA-N 2 2 333.451 3.086 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](CCF)C3)c2cc1C ZINC000661693631 462369435 /nfs/dbraw/zinc/36/94/35/462369435.db2.gz QUBOJVGPXCVZPV-IAGOWNOFSA-N 2 2 333.451 3.086 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269728 462378378 /nfs/dbraw/zinc/37/83/78/462378378.db2.gz LWNMIYOTPVZCAX-IPHXSNPTSA-N 2 2 336.483 3.151 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269728 462378387 /nfs/dbraw/zinc/37/83/87/462378387.db2.gz LWNMIYOTPVZCAX-IPHXSNPTSA-N 2 2 336.483 3.151 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928651 462382332 /nfs/dbraw/zinc/38/23/32/462382332.db2.gz OKEGZGWIBSLAJL-LEWJYISDSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928651 462382337 /nfs/dbraw/zinc/38/23/37/462382337.db2.gz OKEGZGWIBSLAJL-LEWJYISDSA-N 2 2 328.500 3.446 10 0 EGAELP Cc1cnc(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)s1 ZINC000668065808 462398201 /nfs/dbraw/zinc/39/82/01/462398201.db2.gz RQESIEXJTHVYAG-UHFFFAOYSA-N 2 2 339.468 3.412 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000668096849 462417609 /nfs/dbraw/zinc/41/76/09/462417609.db2.gz SIIWQLPLDHYZJY-UHFFFAOYSA-N 2 2 336.439 3.202 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(CC2CC2)n1 ZINC000668104862 462421768 /nfs/dbraw/zinc/42/17/68/462421768.db2.gz PLJLZSIXTBJIJQ-QGZVFWFLSA-N 2 2 339.487 3.206 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(CC2CC2)n1 ZINC000668104862 462421775 /nfs/dbraw/zinc/42/17/75/462421775.db2.gz PLJLZSIXTBJIJQ-QGZVFWFLSA-N 2 2 339.487 3.206 10 0 EGAELP CCCn1nccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668104424 462422491 /nfs/dbraw/zinc/42/24/91/462422491.db2.gz HROCXEPGRVOLTK-MRXNPFEDSA-N 2 2 327.476 3.206 10 0 EGAELP CCCn1nccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668104424 462422496 /nfs/dbraw/zinc/42/24/96/462422496.db2.gz HROCXEPGRVOLTK-MRXNPFEDSA-N 2 2 327.476 3.206 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658297052 462462420 /nfs/dbraw/zinc/46/24/20/462462420.db2.gz XWKMZEYYHLLZLA-NSGGIEJNSA-N 2 2 344.499 3.030 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317075 462473825 /nfs/dbraw/zinc/47/38/25/462473825.db2.gz JAMWEDRSXHBMIJ-IEBWSBKVSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317075 462473830 /nfs/dbraw/zinc/47/38/30/462473830.db2.gz JAMWEDRSXHBMIJ-IEBWSBKVSA-N 2 2 338.499 3.373 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000649414993 462503535 /nfs/dbraw/zinc/50/35/35/462503535.db2.gz CXCDMYWCKKHUJZ-YOEHRIQHSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000649414993 462503536 /nfs/dbraw/zinc/50/35/36/462503536.db2.gz CXCDMYWCKKHUJZ-YOEHRIQHSA-N 2 2 329.419 3.445 10 0 EGAELP C[C@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1[nH+]ccn1C ZINC000662092146 462523024 /nfs/dbraw/zinc/52/30/24/462523024.db2.gz OGALXHBMLKTNHU-HNNXBMFYSA-N 2 2 349.523 3.023 10 0 EGAELP Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)c(C)[nH+]1 ZINC000528213265 478683061 /nfs/dbraw/zinc/68/30/61/478683061.db2.gz XGTCEUDRAMDYMD-ZDUSSCGKSA-N 2 2 339.281 3.285 10 0 EGAELP Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(Br)c(C)[nH+]1 ZINC000528213265 478683066 /nfs/dbraw/zinc/68/30/66/478683066.db2.gz XGTCEUDRAMDYMD-ZDUSSCGKSA-N 2 2 339.281 3.285 10 0 EGAELP CC[NH+](CC)C[C@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172786349 535599455 /nfs/dbraw/zinc/59/94/55/535599455.db2.gz DCWTVOLIHLRTNO-MRXNPFEDSA-N 2 2 325.460 3.015 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188401497 547147190 /nfs/dbraw/zinc/14/71/90/547147190.db2.gz YXFASFWKIPDTOI-ZDUSSCGKSA-N 2 2 336.233 3.016 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188401497 547147196 /nfs/dbraw/zinc/14/71/96/547147196.db2.gz YXFASFWKIPDTOI-ZDUSSCGKSA-N 2 2 336.233 3.016 10 0 EGAELP CCOCc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188406197 547147395 /nfs/dbraw/zinc/14/73/95/547147395.db2.gz GEQXHPBACCMDTO-SFHVURJKSA-N 2 2 329.444 3.093 10 0 EGAELP CCOCc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188406197 547147400 /nfs/dbraw/zinc/14/74/00/547147400.db2.gz GEQXHPBACCMDTO-SFHVURJKSA-N 2 2 329.444 3.093 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797777 /nfs/dbraw/zinc/79/77/77/547797777.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797779 /nfs/dbraw/zinc/79/77/79/547797779.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797780 /nfs/dbraw/zinc/79/77/80/547797780.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797782 /nfs/dbraw/zinc/79/77/82/547797782.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 2 2 326.488 3.178 10 0 EGAELP COc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398085566 547835758 /nfs/dbraw/zinc/83/57/58/547835758.db2.gz IAANCDKKLPYYJV-WMLDXEAASA-N 2 2 331.485 3.152 10 0 EGAELP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398085566 547835762 /nfs/dbraw/zinc/83/57/62/547835762.db2.gz IAANCDKKLPYYJV-WMLDXEAASA-N 2 2 331.485 3.152 10 0 EGAELP Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000671626551 548319827 /nfs/dbraw/zinc/31/98/27/548319827.db2.gz VUGDUZVUQUTLRM-LSDHHAIUSA-N 2 2 349.438 3.458 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000673600693 548580385 /nfs/dbraw/zinc/58/03/85/548580385.db2.gz LFTKEJPLNATMGV-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000673600693 548580389 /nfs/dbraw/zinc/58/03/89/548580389.db2.gz LFTKEJPLNATMGV-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP COc1cc[nH+]c(CN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000673756592 548616004 /nfs/dbraw/zinc/61/60/04/548616004.db2.gz CPJCFRIYKHVJOB-KRWDZBQOSA-N 2 2 325.456 3.187 10 0 EGAELP COc1cc[nH+]c(CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000673756592 548616007 /nfs/dbraw/zinc/61/60/07/548616007.db2.gz CPJCFRIYKHVJOB-KRWDZBQOSA-N 2 2 325.456 3.187 10 0 EGAELP Cc1cccn2cc(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000675551555 548935884 /nfs/dbraw/zinc/93/58/84/548935884.db2.gz JXWFRKHUSNBNMA-FQEVSTJZSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1cccn2cc(CN(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000675551555 548935886 /nfs/dbraw/zinc/93/58/86/548935886.db2.gz JXWFRKHUSNBNMA-FQEVSTJZSA-N 2 2 334.467 3.349 10 0 EGAELP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921548 549005451 /nfs/dbraw/zinc/00/54/51/549005451.db2.gz YRISKKWZEPEUFP-QFBILLFUSA-N 3 2 326.488 3.024 10 0 EGAELP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677322296 549249026 /nfs/dbraw/zinc/24/90/26/549249026.db2.gz NZZLAHSOKPEJEM-UHFFFAOYSA-N 2 2 337.402 3.083 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000678774769 549559227 /nfs/dbraw/zinc/55/92/27/549559227.db2.gz QCEMULBTIDBJSV-IBGZPJMESA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000678774769 549559228 /nfs/dbraw/zinc/55/92/28/549559228.db2.gz QCEMULBTIDBJSV-IBGZPJMESA-N 2 2 344.886 3.412 10 0 EGAELP C[C@@]1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC[N@@H+]1Cc1ccccc1 ZINC000681673072 550025666 /nfs/dbraw/zinc/02/56/66/550025666.db2.gz UILZDZAFNQYVDF-FQEVSTJZSA-N 2 2 348.454 3.129 10 0 EGAELP C[C@@]1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC[N@H+]1Cc1ccccc1 ZINC000681673072 550025668 /nfs/dbraw/zinc/02/56/68/550025668.db2.gz UILZDZAFNQYVDF-FQEVSTJZSA-N 2 2 348.454 3.129 10 0 EGAELP OC[C@]1([NH2+][C@H]2CCC23CCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000682733580 550137624 /nfs/dbraw/zinc/13/76/24/550137624.db2.gz RHBDUYGHKUNYQU-FPOVZHCZSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@]1([NH2+][C@H]2CCC23CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682733580 550137626 /nfs/dbraw/zinc/13/76/26/550137626.db2.gz RHBDUYGHKUNYQU-FPOVZHCZSA-N 2 2 328.500 3.326 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684554252 550342109 /nfs/dbraw/zinc/34/21/09/550342109.db2.gz SRMUTLPKOZIQAG-MJGOQNOKSA-N 2 2 335.455 3.105 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738335481 576315139 /nfs/dbraw/zinc/31/51/39/576315139.db2.gz QOSZFDWGGTUZNO-OALUTQOASA-N 2 2 337.552 3.412 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738335481 576315141 /nfs/dbraw/zinc/31/51/41/576315141.db2.gz QOSZFDWGGTUZNO-OALUTQOASA-N 2 2 337.552 3.412 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccccc3O)CC2)cc1 ZINC000154971425 1294078462 /nfs/dbraw/zinc/07/84/62/1294078462.db2.gz QIUOGLUFUPOGRS-UHFFFAOYSA-N 2 2 339.483 3.259 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)Cc2ccccc2C1 ZINC000872038106 1296689753 /nfs/dbraw/zinc/68/97/53/1296689753.db2.gz IMNHVGCZQQPJLY-RTBURBONSA-N 2 2 330.516 3.269 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCO[C@@H](C(C)(C)C)C3)[nH+]c2)C1 ZINC000872058029 1296706158 /nfs/dbraw/zinc/70/61/58/1296706158.db2.gz MIAKNTYBSWLQHG-KBAYOESNSA-N 2 2 346.519 3.228 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCOC4(CCCC4)C3)[nH+]c2)C1 ZINC000872058235 1296706369 /nfs/dbraw/zinc/70/63/69/1296706369.db2.gz PIDAILYNPOTXEG-AEFFLSMTSA-N 2 2 344.503 3.126 10 0 EGAELP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000872154174 1296773850 /nfs/dbraw/zinc/77/38/50/1296773850.db2.gz QAKWQCYKKXVFBK-HNAYVOBHSA-N 2 2 342.874 3.147 10 0 EGAELP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000872154174 1296773870 /nfs/dbraw/zinc/77/38/70/1296773870.db2.gz QAKWQCYKKXVFBK-HNAYVOBHSA-N 2 2 342.874 3.147 10 0 EGAELP Nc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000705888012 1298217134 /nfs/dbraw/zinc/21/71/34/1298217134.db2.gz NTNPSVNTELTTTQ-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000705888012 1298217138 /nfs/dbraw/zinc/21/71/38/1298217138.db2.gz NTNPSVNTELTTTQ-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000705888012 1298217143 /nfs/dbraw/zinc/21/71/43/1298217143.db2.gz NTNPSVNTELTTTQ-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000705888012 1298217145 /nfs/dbraw/zinc/21/71/45/1298217145.db2.gz NTNPSVNTELTTTQ-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP c1cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000879734016 1300704568 /nfs/dbraw/zinc/70/45/68/1300704568.db2.gz CJIZCWQKADZSOA-HXUWFJFHSA-N 2 2 344.499 3.100 10 0 EGAELP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC000895111103 1309195347 /nfs/dbraw/zinc/19/53/47/1309195347.db2.gz LRLVWOZURDJYIX-QAQDUYKDSA-N 2 2 341.455 3.375 10 0 EGAELP Oc1cccc2sc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc21 ZINC000895193061 1309232149 /nfs/dbraw/zinc/23/21/49/1309232149.db2.gz PUZLQCVMGQXYOS-OAHLLOKOSA-N 2 2 346.496 3.294 10 0 EGAELP Oc1cccc2sc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc21 ZINC000895193061 1309232159 /nfs/dbraw/zinc/23/21/59/1309232159.db2.gz PUZLQCVMGQXYOS-OAHLLOKOSA-N 2 2 346.496 3.294 10 0 EGAELP Cc1cn(C(C)(C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000895601293 1309424046 /nfs/dbraw/zinc/42/40/46/1309424046.db2.gz KPASTJUBDPIDHS-UHFFFAOYSA-N 2 2 326.444 3.161 10 0 EGAELP Cc1ncc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000895740398 1309498449 /nfs/dbraw/zinc/49/84/49/1309498449.db2.gz SVMYQRJUJDFZIZ-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1ncc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000895740398 1309498452 /nfs/dbraw/zinc/49/84/52/1309498452.db2.gz SVMYQRJUJDFZIZ-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1ncc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000895740398 1309498457 /nfs/dbraw/zinc/49/84/57/1309498457.db2.gz SVMYQRJUJDFZIZ-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1ncc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000895740398 1309498462 /nfs/dbraw/zinc/49/84/62/1309498462.db2.gz SVMYQRJUJDFZIZ-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1C ZINC000895822629 1309536683 /nfs/dbraw/zinc/53/66/83/1309536683.db2.gz PAIVOESPXNHRPB-UHFFFAOYSA-N 2 2 347.503 3.259 10 0 EGAELP Cc1cn(C(C)(C)C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c[nH+]1 ZINC000897624960 1310413793 /nfs/dbraw/zinc/41/37/93/1310413793.db2.gz FSHSWHFNYVASJD-UHFFFAOYSA-N 2 2 334.851 3.280 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000858205561 1328711244 /nfs/dbraw/zinc/71/12/44/1328711244.db2.gz ARDGRTDBJSOGII-KRWDZBQOSA-N 2 2 331.504 3.128 10 0 EGAELP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221082 1328714400 /nfs/dbraw/zinc/71/44/00/1328714400.db2.gz ASGGGMYOVJLFFI-MRXNPFEDSA-N 2 2 339.524 3.286 10 0 EGAELP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858221082 1328714406 /nfs/dbraw/zinc/71/44/06/1328714406.db2.gz ASGGGMYOVJLFFI-MRXNPFEDSA-N 2 2 339.524 3.286 10 0 EGAELP CC(F)(F)CCCN1CC[NH2+]CC[N@@H+](CCCC(C)(F)F)CC1 ZINC000923394457 1322744938 /nfs/dbraw/zinc/74/49/38/1322744938.db2.gz JELHVLOTBWFZFC-UHFFFAOYSA-N 2 2 341.437 3.064 10 0 EGAELP CC(F)(F)CCCN1CC[NH2+]CC[N@H+](CCCC(C)(F)F)CC1 ZINC000923394457 1322744932 /nfs/dbraw/zinc/74/49/32/1322744932.db2.gz JELHVLOTBWFZFC-UHFFFAOYSA-N 2 2 341.437 3.064 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc([C@@H]3CCC[N@H+]3C(C)C)n2)c1C ZINC000924113071 1322903988 /nfs/dbraw/zinc/90/39/88/1322903988.db2.gz OLIDPPWFIVXOOM-INIZCTEOSA-N 2 2 331.464 3.451 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)c1C ZINC000924113071 1322903992 /nfs/dbraw/zinc/90/39/92/1322903992.db2.gz OLIDPPWFIVXOOM-INIZCTEOSA-N 2 2 331.464 3.451 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000924659295 1323098936 /nfs/dbraw/zinc/09/89/36/1323098936.db2.gz UCEQVOCQMHXEJX-HNNXBMFYSA-N 2 2 329.492 3.297 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000924659295 1323098939 /nfs/dbraw/zinc/09/89/39/1323098939.db2.gz UCEQVOCQMHXEJX-HNNXBMFYSA-N 2 2 329.492 3.297 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925089124 1323276405 /nfs/dbraw/zinc/27/64/05/1323276405.db2.gz NKCPKBKIOKHUDS-VAMGGRTRSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925089124 1323276416 /nfs/dbraw/zinc/27/64/16/1323276416.db2.gz NKCPKBKIOKHUDS-VAMGGRTRSA-N 2 2 332.488 3.114 10 0 EGAELP c1ccc2c(CC[NH+]3CCC([N@@H+]4CCCOCC4)CC3)nsc2c1 ZINC000931286547 1329085936 /nfs/dbraw/zinc/08/59/36/1329085936.db2.gz UECLVVFJACWDTG-UHFFFAOYSA-N 2 2 345.512 3.026 10 0 EGAELP c1ccc2c(CC[NH+]3CCC([N@H+]4CCCOCC4)CC3)nsc2c1 ZINC000931286547 1329085938 /nfs/dbraw/zinc/08/59/38/1329085938.db2.gz UECLVVFJACWDTG-UHFFFAOYSA-N 2 2 345.512 3.026 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000931310099 1329091192 /nfs/dbraw/zinc/09/11/92/1329091192.db2.gz HSTMIJICFWGJJG-RTBURBONSA-N 2 2 347.528 3.234 10 0 EGAELP FC(F)(F)COCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925533268 1325195152 /nfs/dbraw/zinc/19/51/52/1325195152.db2.gz KVVCEEJBCHTICB-HNNXBMFYSA-N 2 2 328.378 3.140 10 0 EGAELP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccns1 ZINC000925907238 1325353777 /nfs/dbraw/zinc/35/37/77/1325353777.db2.gz ZJXLBGZPCGRCSZ-CYBMUJFWSA-N 2 2 331.489 3.242 10 0 EGAELP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000926957198 1327796256 /nfs/dbraw/zinc/79/62/56/1327796256.db2.gz HJGMDKIZYGIIDD-PMACEKPBSA-N 2 2 346.515 3.072 10 0 EGAELP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000926957198 1327796263 /nfs/dbraw/zinc/79/62/63/1327796263.db2.gz HJGMDKIZYGIIDD-PMACEKPBSA-N 2 2 346.515 3.072 10 0 EGAELP c1cncc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000866609718 1330132632 /nfs/dbraw/zinc/13/26/32/1330132632.db2.gz NFDCRLXRWJLJAV-RTWAWAEBSA-N 2 2 343.515 3.026 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)c1 ZINC000866702296 1330142616 /nfs/dbraw/zinc/14/26/16/1330142616.db2.gz AHGOSSCYXCEPLA-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)c1 ZINC000866702296 1330142617 /nfs/dbraw/zinc/14/26/17/1330142617.db2.gz AHGOSSCYXCEPLA-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645082 1387416514 /nfs/dbraw/zinc/41/65/14/1387416514.db2.gz XLNGBKOEGRAIAJ-PABLAQFASA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645082 1387416515 /nfs/dbraw/zinc/41/65/15/1387416515.db2.gz XLNGBKOEGRAIAJ-PABLAQFASA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)(C)CC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001323736122 1387438190 /nfs/dbraw/zinc/43/81/90/1387438190.db2.gz KDFZYOFGRILWBA-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001323736122 1387438193 /nfs/dbraw/zinc/43/81/93/1387438193.db2.gz KDFZYOFGRILWBA-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC(C)C)C2 ZINC001323815627 1387466794 /nfs/dbraw/zinc/46/67/94/1387466794.db2.gz GWFPITYXMLXAJJ-FQEVSTJZSA-N 2 2 346.519 3.011 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001323815627 1387466795 /nfs/dbraw/zinc/46/67/95/1387466795.db2.gz GWFPITYXMLXAJJ-FQEVSTJZSA-N 2 2 346.519 3.011 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001324181964 1387551620 /nfs/dbraw/zinc/55/16/20/1387551620.db2.gz RVDWDEPYEAKVOA-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324335066 1387596316 /nfs/dbraw/zinc/59/63/16/1387596316.db2.gz OSJWMLAAICEOIL-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324335066 1387596320 /nfs/dbraw/zinc/59/63/20/1387596320.db2.gz OSJWMLAAICEOIL-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324979894 1387870472 /nfs/dbraw/zinc/87/04/72/1387870472.db2.gz ZALCSLBEYTXEIE-HXUWFJFHSA-N 2 2 348.535 3.007 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324979894 1387870483 /nfs/dbraw/zinc/87/04/83/1387870483.db2.gz ZALCSLBEYTXEIE-HXUWFJFHSA-N 2 2 348.535 3.007 10 0 EGAELP c1cn(C[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)c2ccccc2)c[nH+]1 ZINC001197274782 1368776682 /nfs/dbraw/zinc/77/66/82/1368776682.db2.gz PEKAUAYGLYJRLM-MOPGFXCFSA-N 2 2 341.455 3.290 10 0 EGAELP COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001197581942 1368845041 /nfs/dbraw/zinc/84/50/41/1368845041.db2.gz DLEOKARPRXXKBS-QUCCMNQESA-N 2 2 339.439 3.098 10 0 EGAELP COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001197581942 1368845045 /nfs/dbraw/zinc/84/50/45/1368845045.db2.gz DLEOKARPRXXKBS-QUCCMNQESA-N 2 2 339.439 3.098 10 0 EGAELP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001200076356 1369312878 /nfs/dbraw/zinc/31/28/78/1369312878.db2.gz HVFADPITWQFYJH-HNNXBMFYSA-N 2 2 332.473 3.372 10 0 EGAELP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 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/nfs/dbraw/zinc/44/91/87/1385449187.db2.gz YGRHABDXUPCDON-QUCCMNQESA-N 2 2 325.456 3.245 10 0 EGAELP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001175975370 1385449189 /nfs/dbraw/zinc/44/91/89/1385449189.db2.gz YGRHABDXUPCDON-QUCCMNQESA-N 2 2 325.456 3.245 10 0 EGAELP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001175975370 1385449194 /nfs/dbraw/zinc/44/91/94/1385449194.db2.gz YGRHABDXUPCDON-QUCCMNQESA-N 2 2 325.456 3.245 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317761119 1385450452 /nfs/dbraw/zinc/45/04/52/1385450452.db2.gz FMYFALQODRPECW-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317761119 1385450453 /nfs/dbraw/zinc/45/04/53/1385450453.db2.gz FMYFALQODRPECW-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317761119 1385450457 /nfs/dbraw/zinc/45/04/57/1385450457.db2.gz FMYFALQODRPECW-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317761119 1385450461 /nfs/dbraw/zinc/45/04/61/1385450461.db2.gz FMYFALQODRPECW-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1C ZINC001175991693 1385454819 /nfs/dbraw/zinc/45/48/19/1385454819.db2.gz HUSUAEQJUBXKPH-FXAWDEMLSA-N 2 2 342.483 3.147 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1C ZINC001175991693 1385454820 /nfs/dbraw/zinc/45/48/20/1385454820.db2.gz HUSUAEQJUBXKPH-FXAWDEMLSA-N 2 2 342.483 3.147 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]CCC4CC4)CCCC3)ccn12 ZINC001318635950 1385808255 /nfs/dbraw/zinc/80/82/55/1385808255.db2.gz ISWFVSXRLHUSEV-UHFFFAOYSA-N 2 2 340.471 3.075 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCc3ccc4c(c3)OCCO4)c2)c[nH+]1 ZINC001177166249 1385841693 /nfs/dbraw/zinc/84/16/93/1385841693.db2.gz MALJJHMVMHRJMY-UHFFFAOYSA-N 2 2 341.436 3.037 10 0 EGAELP 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ZINC000192075912 153240653 /nfs/dbraw/zinc/24/06/53/153240653.db2.gz BPWMJFYAVJYHPT-UYAOXDASSA-N 2 2 325.456 3.308 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000192075912 153240657 /nfs/dbraw/zinc/24/06/57/153240657.db2.gz BPWMJFYAVJYHPT-UYAOXDASSA-N 2 2 325.456 3.308 10 0 EGAELP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000339918450 155032234 /nfs/dbraw/zinc/03/22/34/155032234.db2.gz ZAMOBGZUUKMQOR-UHFFFAOYSA-N 2 2 348.450 3.071 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796993 162252089 /nfs/dbraw/zinc/25/20/89/162252089.db2.gz GTZDCQWIPLVPJC-RXVVDRJESA-N 3 2 344.547 3.004 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796993 162252093 /nfs/dbraw/zinc/25/20/93/162252093.db2.gz GTZDCQWIPLVPJC-RXVVDRJESA-N 3 2 344.547 3.004 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796805 162252684 /nfs/dbraw/zinc/25/26/84/162252684.db2.gz GTZDCQWIPLVPJC-GHTZIAJQSA-N 3 2 344.547 3.004 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796805 162252689 /nfs/dbraw/zinc/25/26/89/162252689.db2.gz GTZDCQWIPLVPJC-GHTZIAJQSA-N 3 2 344.547 3.004 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000249259293 163061860 /nfs/dbraw/zinc/06/18/60/163061860.db2.gz HSCAGPAKJJOEAN-ARFHVFGLSA-N 2 2 328.460 3.216 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C[C@H]3CC=CCC3)c2cc1C ZINC000344029820 164086540 /nfs/dbraw/zinc/08/65/40/164086540.db2.gz AYQCAGSTPKFWAF-ZWKOTPCHSA-N 2 2 327.472 3.302 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C[C@H]3CC=CCC3)c2cc1C ZINC000344029820 164086544 /nfs/dbraw/zinc/08/65/44/164086544.db2.gz AYQCAGSTPKFWAF-ZWKOTPCHSA-N 2 2 327.472 3.302 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345696238 164245948 /nfs/dbraw/zinc/24/59/48/164245948.db2.gz OWELOEUMWRPNJW-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Cl)cc1 ZINC000345741038 164256257 /nfs/dbraw/zinc/25/62/57/164256257.db2.gz SPIKMJUFUHKUCZ-UHFFFAOYSA-N 2 2 332.835 3.271 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000345866219 164282786 /nfs/dbraw/zinc/28/27/86/164282786.db2.gz UMYMJXFZUKOZAA-INIZCTEOSA-N 2 2 348.539 3.293 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(F)cc1F ZINC000346135186 164346364 /nfs/dbraw/zinc/34/63/64/164346364.db2.gz GXXCFOWOIOMSTN-UHFFFAOYSA-N 2 2 328.366 3.486 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(F)cc1F ZINC000346135186 164346365 /nfs/dbraw/zinc/34/63/65/164346365.db2.gz GXXCFOWOIOMSTN-UHFFFAOYSA-N 2 2 328.366 3.486 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000346143447 164348778 /nfs/dbraw/zinc/34/87/78/164348778.db2.gz AVHVKQZLYLJKLH-UHFFFAOYSA-N 2 2 329.835 3.200 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000346143447 164348780 /nfs/dbraw/zinc/34/87/80/164348780.db2.gz AVHVKQZLYLJKLH-UHFFFAOYSA-N 2 2 329.835 3.200 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229516 164360542 /nfs/dbraw/zinc/36/05/42/164360542.db2.gz VGYBIYVMRRHAPH-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229516 164360543 /nfs/dbraw/zinc/36/05/43/164360543.db2.gz VGYBIYVMRRHAPH-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229516 164360544 /nfs/dbraw/zinc/36/05/44/164360544.db2.gz VGYBIYVMRRHAPH-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229516 164360545 /nfs/dbraw/zinc/36/05/45/164360545.db2.gz VGYBIYVMRRHAPH-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346553863 164395601 /nfs/dbraw/zinc/39/56/01/164395601.db2.gz WBVKYYXXQDPGMW-UPCLLVRISA-N 2 2 339.464 3.331 10 0 EGAELP c1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n(-c2ccccc2)n1 ZINC000348184461 164652341 /nfs/dbraw/zinc/65/23/41/164652341.db2.gz GPKQCKSTDBDSHE-UHFFFAOYSA-N 2 2 343.434 3.407 10 0 EGAELP Cc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000352417501 165390063 /nfs/dbraw/zinc/39/00/63/165390063.db2.gz PZKDEONHXHGKNM-HOTGVXAUSA-N 2 2 339.487 3.049 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231276 287129901 /nfs/dbraw/zinc/12/99/01/287129901.db2.gz WXUKXPOXZCBYFF-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231276 287129902 /nfs/dbraw/zinc/12/99/02/287129902.db2.gz WXUKXPOXZCBYFF-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875538 287136409 /nfs/dbraw/zinc/13/64/09/287136409.db2.gz WWKMXHALAWIBDS-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875538 287136412 /nfs/dbraw/zinc/13/64/12/287136412.db2.gz WWKMXHALAWIBDS-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(Cl)c1 ZINC000355644890 166270073 /nfs/dbraw/zinc/27/00/73/166270073.db2.gz BUKXJWGNDIDHJB-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1NC(C)=O ZINC000366892188 168153291 /nfs/dbraw/zinc/15/32/91/168153291.db2.gz YZNIMEOCVOOFIH-RWBZWWBESA-N 2 2 345.487 3.321 10 0 EGAELP Fc1ccc(/C=C/C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1F ZINC000367524565 168236646 /nfs/dbraw/zinc/23/66/46/168236646.db2.gz RFULEJZMTULKOB-OWOJBTEDSA-N 2 2 326.350 3.349 10 0 EGAELP COCC[N@@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278430074 268011002 /nfs/dbraw/zinc/01/10/02/268011002.db2.gz JHWVUPXRJNTCFY-GOSISDBHSA-N 2 2 340.471 3.019 10 0 EGAELP COCC[N@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278430074 268011005 /nfs/dbraw/zinc/01/10/05/268011005.db2.gz JHWVUPXRJNTCFY-GOSISDBHSA-N 2 2 340.471 3.019 10 0 EGAELP Fc1ccc(-n2nccc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000279664868 275347926 /nfs/dbraw/zinc/34/79/26/275347926.db2.gz OCLJRLOZFTVBGW-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000289410360 276334700 /nfs/dbraw/zinc/33/47/00/276334700.db2.gz PGSDMMKRQUYGQR-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000289410360 276334701 /nfs/dbraw/zinc/33/47/01/276334701.db2.gz PGSDMMKRQUYGQR-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000289451094 276340984 /nfs/dbraw/zinc/34/09/84/276340984.db2.gz XHRPBRHESWXHHJ-UHFFFAOYSA-N 2 2 329.488 3.047 10 0 EGAELP Clc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)OCCO2 ZINC000290496324 276502749 /nfs/dbraw/zinc/50/27/49/276502749.db2.gz XYYAXWVQXQYDPS-UHFFFAOYSA-N 2 2 333.819 3.214 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153235507 301447841 /nfs/dbraw/zinc/44/78/41/301447841.db2.gz ZLJFSVIFEVBWRA-DNVCBOLYSA-N 2 2 332.488 3.075 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@@H]4CCCC[C@H]4C3)c2cc1C ZINC000246429473 307974879 /nfs/dbraw/zinc/97/48/79/307974879.db2.gz SVKUJOLGQCXOMI-OKZBNKHCSA-N 2 2 327.472 3.136 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918215 308079871 /nfs/dbraw/zinc/07/98/71/308079871.db2.gz HYFIZZHQOCOULP-PKOBYXMFSA-N 2 2 347.890 3.251 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918215 308079872 /nfs/dbraw/zinc/07/98/72/308079872.db2.gz HYFIZZHQOCOULP-PKOBYXMFSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918215 308079874 /nfs/dbraw/zinc/07/98/74/308079874.db2.gz HYFIZZHQOCOULP-PKOBYXMFSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918215 308079876 /nfs/dbraw/zinc/07/98/76/308079876.db2.gz HYFIZZHQOCOULP-PKOBYXMFSA-N 2 2 347.890 3.251 10 0 EGAELP O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484521 309083570 /nfs/dbraw/zinc/08/35/70/309083570.db2.gz JSRKSHLKKIJGPP-SJLPKXTDSA-N 2 2 325.437 3.242 10 0 EGAELP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484521 309083571 /nfs/dbraw/zinc/08/35/71/309083571.db2.gz JSRKSHLKKIJGPP-SJLPKXTDSA-N 2 2 325.437 3.242 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414826520 309104157 /nfs/dbraw/zinc/10/41/57/309104157.db2.gz FPMNMYZUYARVID-AEFFLSMTSA-N 2 2 325.456 3.310 10 0 EGAELP [NH3+][C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000414835346 309104658 /nfs/dbraw/zinc/10/46/58/309104658.db2.gz RPIKDZRCUSSWAO-MRXNPFEDSA-N 2 2 332.831 3.291 10 0 EGAELP Cc1cc(C)n2c(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cnc2n1 ZINC000414839100 309104828 /nfs/dbraw/zinc/10/48/28/309104828.db2.gz FSLZSGMLQZBFGA-LJQANCHMSA-N 2 2 337.471 3.259 10 0 EGAELP C[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@@H+]1C ZINC000413165776 309019236 /nfs/dbraw/zinc/01/92/36/309019236.db2.gz SPTWAUHZQHVAKC-SMDDNHRTSA-N 2 2 334.261 3.314 10 0 EGAELP C[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@H+]1C ZINC000413165776 309019237 /nfs/dbraw/zinc/01/92/37/309019237.db2.gz SPTWAUHZQHVAKC-SMDDNHRTSA-N 2 2 334.261 3.314 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414942158 309110346 /nfs/dbraw/zinc/11/03/46/309110346.db2.gz ZKYQWFBIZJMQFU-GXFFZTMASA-N 2 2 329.307 3.259 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071332 309118341 /nfs/dbraw/zinc/11/83/41/309118341.db2.gz SNSAPIZZRMHNFY-CYBMUJFWSA-N 2 2 329.307 3.403 10 0 EGAELP COc1ccc([C@@H](C[NH2+]C[C@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085390 309119306 /nfs/dbraw/zinc/11/93/06/309119306.db2.gz QCGYZQSDIJTLMT-UYAOXDASSA-N 2 2 333.520 3.185 10 0 EGAELP COc1ccc([C@H](C[NH2+]C[C@@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085387 309119426 /nfs/dbraw/zinc/11/94/26/309119426.db2.gz QCGYZQSDIJTLMT-ICSRJNTNSA-N 2 2 333.520 3.185 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420351253 309283636 /nfs/dbraw/zinc/28/36/36/309283636.db2.gz WILFGGGOGXDCER-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420351253 309283637 /nfs/dbraw/zinc/28/36/37/309283637.db2.gz WILFGGGOGXDCER-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000420384510 309285801 /nfs/dbraw/zinc/28/58/01/309285801.db2.gz TYSKSJFGLYLSSG-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000420384510 309285802 /nfs/dbraw/zinc/28/58/02/309285802.db2.gz TYSKSJFGLYLSSG-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720436 309364949 /nfs/dbraw/zinc/36/49/49/309364949.db2.gz ZOEDQZUAZFQMDZ-IAGOWNOFSA-N 2 2 341.421 3.139 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720436 309364950 /nfs/dbraw/zinc/36/49/50/309364950.db2.gz ZOEDQZUAZFQMDZ-IAGOWNOFSA-N 2 2 341.421 3.139 10 0 EGAELP COc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000422883814 309373776 /nfs/dbraw/zinc/37/37/76/309373776.db2.gz VPTFRRMGJLKWLY-SNVBAGLBSA-N 2 2 336.233 3.116 10 0 EGAELP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900639 309374970 /nfs/dbraw/zinc/37/49/70/309374970.db2.gz AQFWBZJWBUHOAU-OSYNSWQESA-N 3 2 327.516 3.432 10 0 EGAELP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422900639 309374971 /nfs/dbraw/zinc/37/49/71/309374971.db2.gz AQFWBZJWBUHOAU-OSYNSWQESA-N 3 2 327.516 3.432 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000422933296 309376752 /nfs/dbraw/zinc/37/67/52/309376752.db2.gz DHEGPJDKQVTSOF-OXJNMPFZSA-N 2 2 334.467 3.172 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016379 309381143 /nfs/dbraw/zinc/38/11/43/309381143.db2.gz MNENGYHBTDTKRG-QTXLCTLRSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016379 309381144 /nfs/dbraw/zinc/38/11/44/309381144.db2.gz MNENGYHBTDTKRG-QTXLCTLRSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016379 309381145 /nfs/dbraw/zinc/38/11/45/309381145.db2.gz MNENGYHBTDTKRG-QTXLCTLRSA-N 2 2 339.886 3.345 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039857 309382402 /nfs/dbraw/zinc/38/24/02/309382402.db2.gz GBIXAICHDLYVRD-JBBXEZCESA-N 2 2 339.886 3.200 10 0 EGAELP CC(C)[N@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039857 309382403 /nfs/dbraw/zinc/38/24/03/309382403.db2.gz GBIXAICHDLYVRD-JBBXEZCESA-N 2 2 339.886 3.200 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053038 309383147 /nfs/dbraw/zinc/38/31/47/309383147.db2.gz RVIQYAJGQNLOSF-BURNTYAHSA-N 2 2 344.499 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@H](OC)C(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423075719 309384687 /nfs/dbraw/zinc/38/46/87/309384687.db2.gz XRERNJAISNPOLG-PMPSAXMXSA-N 2 2 346.393 3.045 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097257 309385809 /nfs/dbraw/zinc/38/58/09/309385809.db2.gz QNUXHOLUCBBHMP-SUHNOJJYSA-N 2 2 326.843 3.024 10 0 EGAELP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423187208 309389637 /nfs/dbraw/zinc/38/96/37/309389637.db2.gz XLXPKOSYOKDIAX-CYBMUJFWSA-N 2 2 333.867 3.233 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423301287 309394469 /nfs/dbraw/zinc/39/44/69/309394469.db2.gz HCKGPHYLEYMPAQ-LJQANCHMSA-N 2 2 346.858 3.256 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423370588 309397494 /nfs/dbraw/zinc/39/74/94/309397494.db2.gz UJPCTABUBOFAGY-IIMNLJJBSA-N 2 2 327.241 3.163 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423370587 309397554 /nfs/dbraw/zinc/39/75/54/309397554.db2.gz UJPCTABUBOFAGY-FZQKWOKYSA-N 2 2 327.241 3.163 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423370586 309397599 /nfs/dbraw/zinc/39/75/99/309397599.db2.gz UJPCTABUBOFAGY-BIGNPOOSSA-N 2 2 327.241 3.163 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518959 309404538 /nfs/dbraw/zinc/40/45/38/309404538.db2.gz CVOCRPNTHMLEAK-UXHICEINSA-N 3 2 327.516 3.148 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393113 310058464 /nfs/dbraw/zinc/05/84/64/310058464.db2.gz AYPFIDZYNDLQHS-HOCLYGCPSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393113 310058465 /nfs/dbraw/zinc/05/84/65/310058465.db2.gz AYPFIDZYNDLQHS-HOCLYGCPSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@H](C)c1nc2ccccc2s1 ZINC000449397284 310058622 /nfs/dbraw/zinc/05/86/22/310058622.db2.gz ORRPQVCMHFDULP-HRCADAONSA-N 2 2 347.528 3.225 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@H](C)c1nc2ccccc2s1 ZINC000449397284 310058623 /nfs/dbraw/zinc/05/86/23/310058623.db2.gz ORRPQVCMHFDULP-HRCADAONSA-N 2 2 347.528 3.225 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452344 310063069 /nfs/dbraw/zinc/06/30/69/310063069.db2.gz KMVIEPDUIMVZCO-KZNAEPCWSA-N 2 2 331.485 3.449 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452344 310063070 /nfs/dbraw/zinc/06/30/70/310063070.db2.gz KMVIEPDUIMVZCO-KZNAEPCWSA-N 2 2 331.485 3.449 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459687 310063681 /nfs/dbraw/zinc/06/36/81/310063681.db2.gz YLABOALJMDOQSM-VAMGGRTRSA-N 2 2 325.456 3.388 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459687 310063682 /nfs/dbraw/zinc/06/36/82/310063682.db2.gz YLABOALJMDOQSM-VAMGGRTRSA-N 2 2 325.456 3.388 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)c1 ZINC000450358227 310117667 /nfs/dbraw/zinc/11/76/67/310117667.db2.gz QZCJWDDCJYDBSV-CQSZACIVSA-N 2 2 325.403 3.038 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453051859 310254503 /nfs/dbraw/zinc/25/45/03/310254503.db2.gz BQNVAHXEXHXCFW-PKOBYXMFSA-N 2 2 334.504 3.243 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCOCC1 ZINC000453113222 310258695 /nfs/dbraw/zinc/25/86/95/310258695.db2.gz QZKLYUKIISRAHL-HKUYNNGSSA-N 2 2 338.536 3.205 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CCOCC1 ZINC000453113222 310258696 /nfs/dbraw/zinc/25/86/96/310258696.db2.gz QZKLYUKIISRAHL-HKUYNNGSSA-N 2 2 338.536 3.205 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258577 310267376 /nfs/dbraw/zinc/26/73/76/310267376.db2.gz HVMOIPVXZYZYSO-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258577 310267377 /nfs/dbraw/zinc/26/73/77/310267377.db2.gz HVMOIPVXZYZYSO-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCS2 ZINC000453260968 310267627 /nfs/dbraw/zinc/26/76/27/310267627.db2.gz JPLMXIGGCDSHLH-WMZOPIPTSA-N 2 2 334.529 3.277 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCS2 ZINC000453260968 310267628 /nfs/dbraw/zinc/26/76/28/310267628.db2.gz JPLMXIGGCDSHLH-WMZOPIPTSA-N 2 2 334.529 3.277 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277832 310268885 /nfs/dbraw/zinc/26/88/85/310268885.db2.gz YLWICTXURIZNDC-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277832 310268886 /nfs/dbraw/zinc/26/88/86/310268886.db2.gz YLWICTXURIZNDC-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP Clc1ccc(Cl)c(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000488428863 311065053 /nfs/dbraw/zinc/06/50/53/311065053.db2.gz ZLDKUDJFKYDXHJ-AWEZNQCLSA-N 2 2 343.298 3.190 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059619 311162652 /nfs/dbraw/zinc/16/26/52/311162652.db2.gz STQBHTJZWQYZND-OALUTQOASA-N 2 2 337.552 3.125 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059619 311162653 /nfs/dbraw/zinc/16/26/53/311162653.db2.gz STQBHTJZWQYZND-OALUTQOASA-N 2 2 337.552 3.125 10 0 EGAELP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000491062140 311162725 /nfs/dbraw/zinc/16/27/25/311162725.db2.gz QKEVOGKACUHLES-IOJLRTSASA-N 2 2 349.563 3.269 10 0 EGAELP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000491062140 311162726 /nfs/dbraw/zinc/16/27/26/311162726.db2.gz QKEVOGKACUHLES-IOJLRTSASA-N 2 2 349.563 3.269 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000506473265 312049815 /nfs/dbraw/zinc/04/98/15/312049815.db2.gz XBYLSIFIPWYOEW-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000506473265 312049817 /nfs/dbraw/zinc/04/98/17/312049817.db2.gz XBYLSIFIPWYOEW-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000506473265 312049819 /nfs/dbraw/zinc/04/98/19/312049819.db2.gz XBYLSIFIPWYOEW-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000506473265 312049821 /nfs/dbraw/zinc/04/98/21/312049821.db2.gz XBYLSIFIPWYOEW-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])on1 ZINC000517356191 312375931 /nfs/dbraw/zinc/37/59/31/312375931.db2.gz HISSGYGWWFRITO-IAGOWNOFSA-N 2 2 337.423 3.473 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000525361326 312720981 /nfs/dbraw/zinc/72/09/81/312720981.db2.gz PPEXFNGHMQITNG-AWEZNQCLSA-N 2 2 345.878 3.079 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417979 313088584 /nfs/dbraw/zinc/08/85/84/313088584.db2.gz VQOOEPXFSKADMH-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417979 313088585 /nfs/dbraw/zinc/08/85/85/313088585.db2.gz VQOOEPXFSKADMH-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417979 313088586 /nfs/dbraw/zinc/08/85/86/313088586.db2.gz VQOOEPXFSKADMH-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417979 313088587 /nfs/dbraw/zinc/08/85/87/313088587.db2.gz VQOOEPXFSKADMH-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC(C)COc1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726443 313156477 /nfs/dbraw/zinc/15/64/77/313156477.db2.gz AYIAMWKPWBPIAA-UHFFFAOYSA-N 2 2 346.515 3.408 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536419 313347727 /nfs/dbraw/zinc/34/77/27/313347727.db2.gz KOVKKKBUTQFXEY-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536419 313347729 /nfs/dbraw/zinc/34/77/29/313347729.db2.gz KOVKKKBUTQFXEY-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1OC ZINC000529536419 313347733 /nfs/dbraw/zinc/34/77/33/313347733.db2.gz KOVKKKBUTQFXEY-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1OC ZINC000529536419 313347736 /nfs/dbraw/zinc/34/77/36/313347736.db2.gz KOVKKKBUTQFXEY-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569952 313359188 /nfs/dbraw/zinc/35/91/88/313359188.db2.gz SBWRSDOASYPIFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569952 313359189 /nfs/dbraw/zinc/35/91/89/313359189.db2.gz SBWRSDOASYPIFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccsc2Br)C1 ZINC000529569952 313359191 /nfs/dbraw/zinc/35/91/91/313359191.db2.gz SBWRSDOASYPIFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccsc2Br)C1 ZINC000529569952 313359193 /nfs/dbraw/zinc/35/91/93/313359193.db2.gz SBWRSDOASYPIFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP Cc1[nH+]cc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)n1C ZINC000529639117 313375982 /nfs/dbraw/zinc/37/59/82/313375982.db2.gz YANRSUIKYJOCKN-UHFFFAOYSA-N 2 2 343.475 3.224 10 0 EGAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1O ZINC000529670769 313383064 /nfs/dbraw/zinc/38/30/64/313383064.db2.gz WTXQXDTVTPCZAT-QAPCUYQASA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1O ZINC000529670769 313383068 /nfs/dbraw/zinc/38/30/68/313383068.db2.gz WTXQXDTVTPCZAT-QAPCUYQASA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530217863 313499272 /nfs/dbraw/zinc/49/92/72/313499272.db2.gz HRVYVMYPNMHBMT-NHYWBVRUSA-N 2 2 339.277 3.393 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000560256271 315670233 /nfs/dbraw/zinc/67/02/33/315670233.db2.gz DEQGHVQRUVAGNI-HDAAZOAOSA-N 2 2 346.515 3.483 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000563780357 316067357 /nfs/dbraw/zinc/06/73/57/316067357.db2.gz SRCRAACXPIMFTK-VQTJNVASSA-N 2 2 349.482 3.481 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076471 316110432 /nfs/dbraw/zinc/11/04/32/316110432.db2.gz BKJFQCPVPILRRM-NHYWBVRUSA-N 2 2 329.271 3.025 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076471 316110435 /nfs/dbraw/zinc/11/04/35/316110435.db2.gz BKJFQCPVPILRRM-NHYWBVRUSA-N 2 2 329.271 3.025 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000565468218 316327936 /nfs/dbraw/zinc/32/79/36/316327936.db2.gz FWARIBOZNPKCQL-IXDOHACOSA-N 2 2 327.476 3.229 10 0 EGAELP C[C@H](CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000566364405 316463641 /nfs/dbraw/zinc/46/36/41/316463641.db2.gz PFQSKAQPXXQOOS-MRXNPFEDSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCCC1 ZINC000572203802 317304937 /nfs/dbraw/zinc/30/49/37/317304937.db2.gz SMOMKQMFHWFFHR-JXFKEZNVSA-N 2 2 342.462 3.417 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242624 317310906 /nfs/dbraw/zinc/31/09/06/317310906.db2.gz TVQVDXLXMVBFND-RTBURBONSA-N 2 2 325.500 3.010 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242624 317310909 /nfs/dbraw/zinc/31/09/09/317310909.db2.gz TVQVDXLXMVBFND-RTBURBONSA-N 2 2 325.500 3.010 10 0 EGAELP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000350597515 324101119 /nfs/dbraw/zinc/10/11/19/324101119.db2.gz BHQNSEAZPZVXGB-HUUCEWRRSA-N 2 2 337.427 3.354 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000576396199 324605997 /nfs/dbraw/zinc/60/59/97/324605997.db2.gz ZNVGCFWWCATHQP-HKUYNNGSSA-N 2 2 343.858 3.148 10 0 EGAELP COc1cc[nH+]c(N2CCN(c3[nH+]ccc4c(C)cccc43)CC2)c1 ZINC000577058179 324734294 /nfs/dbraw/zinc/73/42/94/324734294.db2.gz YWORBANXDKUEEP-UHFFFAOYSA-N 2 2 334.423 3.273 10 0 EGAELP CC1=C[C@@H](C)C[C@@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000579411781 325104996 /nfs/dbraw/zinc/10/49/96/325104996.db2.gz AEXPYVVUULMMFX-SJLPKXTDSA-N 2 2 342.531 3.438 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000339168736 456975153 /nfs/dbraw/zinc/97/51/53/456975153.db2.gz FIDIKEAAGAKKKD-CQSZACIVSA-N 2 2 334.261 3.183 10 0 EGAELP COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183146396 455238201 /nfs/dbraw/zinc/23/82/01/455238201.db2.gz ZVDSKKWEQGARDM-CYBMUJFWSA-N 2 2 339.395 3.411 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884819 460588200 /nfs/dbraw/zinc/58/82/00/460588200.db2.gz OUYPLXCOVPDKHR-IAQYHMDHSA-N 2 2 342.270 3.006 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884819 460588207 /nfs/dbraw/zinc/58/82/07/460588207.db2.gz OUYPLXCOVPDKHR-IAQYHMDHSA-N 2 2 342.270 3.006 10 0 EGAELP FC(F)(F)COc1ccccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084504987 453992687 /nfs/dbraw/zinc/99/26/87/453992687.db2.gz COTQKMHIVSWYDP-CQSZACIVSA-N 2 2 339.361 3.491 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444796 454107143 /nfs/dbraw/zinc/10/71/43/454107143.db2.gz SATUFFZCFPOVSW-HNNXBMFYSA-N 2 2 341.459 3.083 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444796 454107145 /nfs/dbraw/zinc/10/71/45/454107145.db2.gz SATUFFZCFPOVSW-HNNXBMFYSA-N 2 2 341.459 3.083 10 0 EGAELP Cc1cc(NC2CC[NH+](CC(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057826140 454149303 /nfs/dbraw/zinc/14/93/03/454149303.db2.gz NAPGYDCXXGGTCC-UHFFFAOYSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1-c1ccccn1 ZINC000089545052 454160830 /nfs/dbraw/zinc/16/08/30/454160830.db2.gz LJIPTNIFQQHQIE-OAHLLOKOSA-N 2 2 346.438 3.117 10 0 EGAELP Cc1csc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000089705591 454180393 /nfs/dbraw/zinc/18/03/93/454180393.db2.gz SNNGJSRXNHKLFW-UHFFFAOYSA-N 2 2 327.457 3.040 10 0 EGAELP Cc1csc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000089705591 454180396 /nfs/dbraw/zinc/18/03/96/454180396.db2.gz SNNGJSRXNHKLFW-UHFFFAOYSA-N 2 2 327.457 3.040 10 0 EGAELP COc1c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c(C(C)C)nn1C ZINC000058407387 454199125 /nfs/dbraw/zinc/19/91/25/454199125.db2.gz OPYKMIMMZZHWQL-UHFFFAOYSA-N 2 2 341.459 3.000 10 0 EGAELP CN(C)c1ccc(NCc2cccc(OCCn3cc[nH+]c3)c2)c[nH+]1 ZINC000095430843 454210466 /nfs/dbraw/zinc/21/04/66/454210466.db2.gz ZNCRDUZKBDGDIR-UHFFFAOYSA-N 2 2 337.427 3.035 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119693250 454213345 /nfs/dbraw/zinc/21/33/45/454213345.db2.gz WHKPXWKOFLQUAP-UYAOXDASSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119693250 454213352 /nfs/dbraw/zinc/21/33/52/454213352.db2.gz WHKPXWKOFLQUAP-UYAOXDASSA-N 2 2 338.499 3.442 10 0 EGAELP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Oc1ccc(F)cc1 ZINC000095968641 454242785 /nfs/dbraw/zinc/24/27/85/454242785.db2.gz PNNKKDKOLMUWEN-HNNXBMFYSA-N 2 2 329.419 3.247 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000090004398 454260825 /nfs/dbraw/zinc/26/08/25/454260825.db2.gz RCGPESROGQQRHY-CYBMUJFWSA-N 2 2 328.391 3.155 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000090004398 454260828 /nfs/dbraw/zinc/26/08/28/454260828.db2.gz RCGPESROGQQRHY-CYBMUJFWSA-N 2 2 328.391 3.155 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131947245 454300641 /nfs/dbraw/zinc/30/06/41/454300641.db2.gz OPLSBHOSEDQOSU-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131947245 454300647 /nfs/dbraw/zinc/30/06/47/454300647.db2.gz OPLSBHOSEDQOSU-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP COc1ccccc1/C=C\C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000096297199 454316882 /nfs/dbraw/zinc/31/68/82/454316882.db2.gz IITQNYNBEAMZET-VURMDHGXSA-N 2 2 337.467 3.358 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000120601973 454324336 /nfs/dbraw/zinc/32/43/36/454324336.db2.gz RZJFLFUVPMLICS-CQSZACIVSA-N 2 2 333.457 3.131 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccsc2C(=O)OC)C1 ZINC000120601973 454324341 /nfs/dbraw/zinc/32/43/41/454324341.db2.gz RZJFLFUVPMLICS-CQSZACIVSA-N 2 2 333.457 3.131 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879313 454347685 /nfs/dbraw/zinc/34/76/85/454347685.db2.gz YAEAQVPYIHRFSU-YLJYHZDGSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879313 454347689 /nfs/dbraw/zinc/34/76/89/454347689.db2.gz YAEAQVPYIHRFSU-YLJYHZDGSA-N 2 2 347.466 3.192 10 0 EGAELP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)c3nccs3)CC[N@@H+]2C)cc1 ZINC000097032850 454390929 /nfs/dbraw/zinc/39/09/29/454390929.db2.gz SIKDNZQPNFSBAU-YSVLISHTSA-N 2 2 331.485 3.495 10 0 EGAELP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)c3nccs3)CC[N@H+]2C)cc1 ZINC000097032850 454390932 /nfs/dbraw/zinc/39/09/32/454390932.db2.gz SIKDNZQPNFSBAU-YSVLISHTSA-N 2 2 331.485 3.495 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000091960318 454496328 /nfs/dbraw/zinc/49/63/28/454496328.db2.gz AJYFKGFAOGONCL-DOTOQJQBSA-N 2 2 329.444 3.374 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000091960318 454496330 /nfs/dbraw/zinc/49/63/30/454496330.db2.gz AJYFKGFAOGONCL-DOTOQJQBSA-N 2 2 329.444 3.374 10 0 EGAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000122811659 454570206 /nfs/dbraw/zinc/57/02/06/454570206.db2.gz KDTWHMLNARDOPG-SJORKVTESA-N 2 2 348.535 3.135 10 0 EGAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000122811659 454570209 /nfs/dbraw/zinc/57/02/09/454570209.db2.gz KDTWHMLNARDOPG-SJORKVTESA-N 2 2 348.535 3.135 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123279618 454621402 /nfs/dbraw/zinc/62/14/02/454621402.db2.gz VBRULKOCLCLVAQ-DOTOQJQBSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123279618 454621405 /nfs/dbraw/zinc/62/14/05/454621405.db2.gz VBRULKOCLCLVAQ-DOTOQJQBSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279618 454621409 /nfs/dbraw/zinc/62/14/09/454621409.db2.gz VBRULKOCLCLVAQ-DOTOQJQBSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279618 454621415 /nfs/dbraw/zinc/62/14/15/454621415.db2.gz VBRULKOCLCLVAQ-DOTOQJQBSA-N 2 2 325.456 3.193 10 0 EGAELP CCCCc1noc([C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876450 454662215 /nfs/dbraw/zinc/66/22/15/454662215.db2.gz KOQGFHCDLXTEJM-CQSZACIVSA-N 2 2 331.464 3.161 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000105904124 454668161 /nfs/dbraw/zinc/66/81/61/454668161.db2.gz FKWQEMCXLSHILT-KRWDZBQOSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000105904124 454668168 /nfs/dbraw/zinc/66/81/68/454668168.db2.gz FKWQEMCXLSHILT-KRWDZBQOSA-N 2 2 344.434 3.250 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123801354 454677009 /nfs/dbraw/zinc/67/70/09/454677009.db2.gz MFYGQVXGZGAFOW-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000123801354 454677012 /nfs/dbraw/zinc/67/70/12/454677012.db2.gz MFYGQVXGZGAFOW-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801354 454677016 /nfs/dbraw/zinc/67/70/16/454677016.db2.gz MFYGQVXGZGAFOW-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801354 454677017 /nfs/dbraw/zinc/67/70/17/454677017.db2.gz MFYGQVXGZGAFOW-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094724 454683911 /nfs/dbraw/zinc/68/39/11/454683911.db2.gz CDNACYNJBGNFLG-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094724 454683915 /nfs/dbraw/zinc/68/39/15/454683915.db2.gz CDNACYNJBGNFLG-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094724 454683919 /nfs/dbraw/zinc/68/39/19/454683919.db2.gz CDNACYNJBGNFLG-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094724 454683923 /nfs/dbraw/zinc/68/39/23/454683923.db2.gz CDNACYNJBGNFLG-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CCc1oc2ccccc2c1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000093131810 454686914 /nfs/dbraw/zinc/68/69/14/454686914.db2.gz RKSCBCGFAKCMCK-UHFFFAOYSA-N 2 2 338.455 3.047 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123936659 454689140 /nfs/dbraw/zinc/68/91/40/454689140.db2.gz XFXDHXDEJKUYPT-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123936659 454689144 /nfs/dbraw/zinc/68/91/44/454689144.db2.gz XFXDHXDEJKUYPT-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936659 454689148 /nfs/dbraw/zinc/68/91/48/454689148.db2.gz XFXDHXDEJKUYPT-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936659 454689151 /nfs/dbraw/zinc/68/91/51/454689151.db2.gz XFXDHXDEJKUYPT-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCSc3ccc(F)cc3)CC2)CCO1 ZINC000124123698 454700526 /nfs/dbraw/zinc/70/05/26/454700526.db2.gz CBLABLNMTPQFCX-OAHLLOKOSA-N 2 2 338.492 3.103 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCSc3ccc(F)cc3)CC2)CCO1 ZINC000124123698 454700528 /nfs/dbraw/zinc/70/05/28/454700528.db2.gz CBLABLNMTPQFCX-OAHLLOKOSA-N 2 2 338.492 3.103 10 0 EGAELP CC1(C)Cc2cccc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)c2O1 ZINC000161625151 454708788 /nfs/dbraw/zinc/70/87/88/454708788.db2.gz QXCAICPLZMKAEA-UHFFFAOYSA-N 2 2 334.423 3.271 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638819 454724740 /nfs/dbraw/zinc/72/47/40/454724740.db2.gz IPQPVPSHWTXGEQ-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638819 454724745 /nfs/dbraw/zinc/72/47/45/454724745.db2.gz IPQPVPSHWTXGEQ-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638819 454724748 /nfs/dbraw/zinc/72/47/48/454724748.db2.gz IPQPVPSHWTXGEQ-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638819 454724751 /nfs/dbraw/zinc/72/47/51/454724751.db2.gz IPQPVPSHWTXGEQ-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)CCCn3cc[nH+]c3C)o2)cc1 ZINC000136307743 454735160 /nfs/dbraw/zinc/73/51/60/454735160.db2.gz YTUKXVILFHCCMC-UHFFFAOYSA-N 2 2 340.427 3.377 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)CCCn3cc[nH+]c3C)o2)cc1 ZINC000136307743 454735166 /nfs/dbraw/zinc/73/51/66/454735166.db2.gz YTUKXVILFHCCMC-UHFFFAOYSA-N 2 2 340.427 3.377 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163215912 454830818 /nfs/dbraw/zinc/83/08/18/454830818.db2.gz ZSLNGPJCELFFLF-DZGCQCFKSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163215912 454830819 /nfs/dbraw/zinc/83/08/19/454830819.db2.gz ZSLNGPJCELFFLF-DZGCQCFKSA-N 2 2 347.894 3.222 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000163376170 454842819 /nfs/dbraw/zinc/84/28/19/454842819.db2.gz JMUZUEBMKTXSPZ-UONOGXRCSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000163376170 454842821 /nfs/dbraw/zinc/84/28/21/454842821.db2.gz JMUZUEBMKTXSPZ-UONOGXRCSA-N 2 2 330.394 3.467 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000154616512 454912890 /nfs/dbraw/zinc/91/28/90/454912890.db2.gz PZYNBKSOJPWIML-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000154616512 454912895 /nfs/dbraw/zinc/91/28/95/454912895.db2.gz PZYNBKSOJPWIML-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000155054614 454958764 /nfs/dbraw/zinc/95/87/64/454958764.db2.gz SOMWCIIHGMJQAP-NSHDSACASA-N 2 2 330.379 3.331 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000155054614 454958767 /nfs/dbraw/zinc/95/87/67/454958767.db2.gz SOMWCIIHGMJQAP-NSHDSACASA-N 2 2 330.379 3.331 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151710839 455020183 /nfs/dbraw/zinc/02/01/83/455020183.db2.gz WOTYZNUSYMHTLD-HZPDHXFCSA-N 2 2 328.460 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000171521298 455075840 /nfs/dbraw/zinc/07/58/40/455075840.db2.gz SIVUMWYWGOHWNM-MRXNPFEDSA-N 2 2 327.428 3.054 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000171521298 455075844 /nfs/dbraw/zinc/07/58/44/455075844.db2.gz SIVUMWYWGOHWNM-MRXNPFEDSA-N 2 2 327.428 3.054 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000171649267 455082206 /nfs/dbraw/zinc/08/22/06/455082206.db2.gz ZBVYNYHDCJFWDW-KRWDZBQOSA-N 2 2 335.455 3.280 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000171649267 455082210 /nfs/dbraw/zinc/08/22/10/455082210.db2.gz ZBVYNYHDCJFWDW-KRWDZBQOSA-N 2 2 335.455 3.280 10 0 EGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156522835 455128017 /nfs/dbraw/zinc/12/80/17/455128017.db2.gz GFLHMJDPZVYVDI-LNLFQRSKSA-N 2 2 344.503 3.161 10 0 EGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156522835 455128019 /nfs/dbraw/zinc/12/80/19/455128019.db2.gz GFLHMJDPZVYVDI-LNLFQRSKSA-N 2 2 344.503 3.161 10 0 EGAELP Cc1noc(C)c1C[N@@H+](C)[C@H]1CCC[NH+](Cc2c(C)noc2C)CC1 ZINC000156971330 455159262 /nfs/dbraw/zinc/15/92/62/455159262.db2.gz AFFLUROVRWRGJJ-KRWDZBQOSA-N 2 2 346.475 3.383 10 0 EGAELP Cc1noc(C)c1C[N@H+](C)[C@H]1CCC[NH+](Cc2c(C)noc2C)CC1 ZINC000156971330 455159264 /nfs/dbraw/zinc/15/92/64/455159264.db2.gz AFFLUROVRWRGJJ-KRWDZBQOSA-N 2 2 346.475 3.383 10 0 EGAELP Cc1noc(C)c1C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(C)noc2C)CC1 ZINC000156971330 455159268 /nfs/dbraw/zinc/15/92/68/455159268.db2.gz AFFLUROVRWRGJJ-KRWDZBQOSA-N 2 2 346.475 3.383 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245438984 455299382 /nfs/dbraw/zinc/29/93/82/455299382.db2.gz SLRPRPGSBBZSDD-GDBMZVCRSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245438984 455299384 /nfs/dbraw/zinc/29/93/84/455299384.db2.gz SLRPRPGSBBZSDD-GDBMZVCRSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245438984 455299385 /nfs/dbraw/zinc/29/93/85/455299385.db2.gz SLRPRPGSBBZSDD-GDBMZVCRSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245438984 455299387 /nfs/dbraw/zinc/29/93/87/455299387.db2.gz SLRPRPGSBBZSDD-GDBMZVCRSA-N 2 2 332.467 3.357 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443651 455302095 /nfs/dbraw/zinc/30/20/95/455302095.db2.gz XJIGHMYUESPVSR-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443651 455302099 /nfs/dbraw/zinc/30/20/99/455302099.db2.gz XJIGHMYUESPVSR-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443651 455302103 /nfs/dbraw/zinc/30/21/03/455302103.db2.gz XJIGHMYUESPVSR-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443651 455302108 /nfs/dbraw/zinc/30/21/08/455302108.db2.gz XJIGHMYUESPVSR-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245458085 455306069 /nfs/dbraw/zinc/30/60/69/455306069.db2.gz USQNDRCHLCYTLE-OTWHNJEPSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245458085 455306072 /nfs/dbraw/zinc/30/60/72/455306072.db2.gz USQNDRCHLCYTLE-OTWHNJEPSA-N 2 2 343.515 3.060 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000183676282 455319686 /nfs/dbraw/zinc/31/96/86/455319686.db2.gz LQRHMRDWIRWJDI-CQSZACIVSA-N 2 2 338.459 3.283 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000245706447 455360352 /nfs/dbraw/zinc/36/03/52/455360352.db2.gz FEKWHBABNJBJOM-ZHALLVOQSA-N 2 2 331.504 3.005 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000245706447 455360355 /nfs/dbraw/zinc/36/03/55/455360355.db2.gz FEKWHBABNJBJOM-ZHALLVOQSA-N 2 2 331.504 3.005 10 0 EGAELP COCC[N@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191124298 455447419 /nfs/dbraw/zinc/44/74/19/455447419.db2.gz WITVJHBGAXDTER-UHFFFAOYSA-N 2 2 336.439 3.224 10 0 EGAELP COCC[N@@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191124298 455447424 /nfs/dbraw/zinc/44/74/24/455447424.db2.gz WITVJHBGAXDTER-UHFFFAOYSA-N 2 2 336.439 3.224 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247101300 455559790 /nfs/dbraw/zinc/55/97/90/455559790.db2.gz QAVGDYOZBSXUEW-DBXWQHBBSA-N 3 2 329.532 3.278 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000247101300 455559791 /nfs/dbraw/zinc/55/97/91/455559791.db2.gz QAVGDYOZBSXUEW-DBXWQHBBSA-N 3 2 329.532 3.278 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247165810 455568065 /nfs/dbraw/zinc/56/80/65/455568065.db2.gz YDXZGPQMTSPEDK-YOEHRIQHSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247165810 455568071 /nfs/dbraw/zinc/56/80/71/455568071.db2.gz YDXZGPQMTSPEDK-YOEHRIQHSA-N 2 2 338.879 3.254 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668726 455592300 /nfs/dbraw/zinc/59/23/00/455592300.db2.gz GKOGURGXRVXWIK-HIFRSBDPSA-N 2 2 336.501 3.277 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668726 455592303 /nfs/dbraw/zinc/59/23/03/455592303.db2.gz GKOGURGXRVXWIK-HIFRSBDPSA-N 2 2 336.501 3.277 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000247442574 455601068 /nfs/dbraw/zinc/60/10/68/455601068.db2.gz XFNJFUKXUBUXFE-GJZGRUSLSA-N 2 2 331.464 3.161 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000247442574 455601071 /nfs/dbraw/zinc/60/10/71/455601071.db2.gz XFNJFUKXUBUXFE-GJZGRUSLSA-N 2 2 331.464 3.161 10 0 EGAELP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247594217 455629545 /nfs/dbraw/zinc/62/95/45/455629545.db2.gz MSEIZVSCYANEOV-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247594217 455629546 /nfs/dbraw/zinc/62/95/46/455629546.db2.gz MSEIZVSCYANEOV-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612649700 460689166 /nfs/dbraw/zinc/68/91/66/460689166.db2.gz UZOOPTUWXOEZJE-INIZCTEOSA-N 2 2 338.455 3.058 10 0 EGAELP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612649700 460689171 /nfs/dbraw/zinc/68/91/71/460689171.db2.gz UZOOPTUWXOEZJE-INIZCTEOSA-N 2 2 338.455 3.058 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540412 460692264 /nfs/dbraw/zinc/69/22/64/460692264.db2.gz NARKVQWHTXTGHK-UZLBHIALSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540412 460692271 /nfs/dbraw/zinc/69/22/71/460692271.db2.gz NARKVQWHTXTGHK-UZLBHIALSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606540412 460692285 /nfs/dbraw/zinc/69/22/85/460692285.db2.gz NARKVQWHTXTGHK-UZLBHIALSA-N 2 2 342.458 3.238 10 0 EGAELP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582286 460700744 /nfs/dbraw/zinc/70/07/44/460700744.db2.gz JDNGAQSRVYJYPP-GOSISDBHSA-N 2 2 349.438 3.120 10 0 EGAELP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582286 460700754 /nfs/dbraw/zinc/70/07/54/460700754.db2.gz JDNGAQSRVYJYPP-GOSISDBHSA-N 2 2 349.438 3.120 10 0 EGAELP C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261786764 455947396 /nfs/dbraw/zinc/94/73/96/455947396.db2.gz SPUCNBMZJPBQJG-YIONKMFJSA-N 2 2 332.835 3.105 10 0 EGAELP C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261786764 455947401 /nfs/dbraw/zinc/94/74/01/455947401.db2.gz SPUCNBMZJPBQJG-YIONKMFJSA-N 2 2 332.835 3.105 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272457671 455957524 /nfs/dbraw/zinc/95/75/24/455957524.db2.gz XKLSTEDRBDCSGQ-WKCHPHFGSA-N 3 2 327.516 3.256 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000272457671 455957528 /nfs/dbraw/zinc/95/75/28/455957528.db2.gz XKLSTEDRBDCSGQ-WKCHPHFGSA-N 3 2 327.516 3.256 10 0 EGAELP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000261922315 455971106 /nfs/dbraw/zinc/97/11/06/455971106.db2.gz BTKOTQASICLAJE-SFHVURJKSA-N 2 2 348.878 3.200 10 0 EGAELP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000261922315 455971112 /nfs/dbraw/zinc/97/11/12/455971112.db2.gz BTKOTQASICLAJE-SFHVURJKSA-N 2 2 348.878 3.200 10 0 EGAELP C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262027910 455987930 /nfs/dbraw/zinc/98/79/30/455987930.db2.gz YJTOOIBHGLCRBE-FUNVUKJBSA-N 2 2 342.270 3.147 10 0 EGAELP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262027910 455987932 /nfs/dbraw/zinc/98/79/32/455987932.db2.gz YJTOOIBHGLCRBE-FUNVUKJBSA-N 2 2 342.270 3.147 10 0 EGAELP COCCCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271202400 456170025 /nfs/dbraw/zinc/17/00/25/456170025.db2.gz RBTHTXVMBWZBOE-UHFFFAOYSA-N 2 2 329.444 3.205 10 0 EGAELP COc1cccc2c(NC[C@H](C)[N@@H+]3CCOC[C@H]3C)cc(C)[nH+]c12 ZINC000301641868 456171974 /nfs/dbraw/zinc/17/19/74/456171974.db2.gz BNZAPGKNRRUQBI-LSDHHAIUSA-N 2 2 329.444 3.073 10 0 EGAELP COc1cccc2c(NC[C@H](C)[N@H+]3CCOC[C@H]3C)cc(C)[nH+]c12 ZINC000301641868 456171980 /nfs/dbraw/zinc/17/19/80/456171980.db2.gz BNZAPGKNRRUQBI-LSDHHAIUSA-N 2 2 329.444 3.073 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272744 456184672 /nfs/dbraw/zinc/18/46/72/456184672.db2.gz YPBPGOYVKXSZCH-WMZOPIPTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272744 456184674 /nfs/dbraw/zinc/18/46/74/456184674.db2.gz YPBPGOYVKXSZCH-WMZOPIPTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272744 456184676 /nfs/dbraw/zinc/18/46/76/456184676.db2.gz YPBPGOYVKXSZCH-WMZOPIPTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272744 456184680 /nfs/dbraw/zinc/18/46/80/456184680.db2.gz YPBPGOYVKXSZCH-WMZOPIPTSA-N 2 2 342.487 3.043 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000301757816 456208350 /nfs/dbraw/zinc/20/83/50/456208350.db2.gz OHTLMZCWXLTSNM-PMPSAXMXSA-N 2 2 339.524 3.094 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000301757816 456208356 /nfs/dbraw/zinc/20/83/56/456208356.db2.gz OHTLMZCWXLTSNM-PMPSAXMXSA-N 2 2 339.524 3.094 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297403932 456211763 /nfs/dbraw/zinc/21/17/63/456211763.db2.gz SQMQTHJKMWYQMU-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297403932 456211768 /nfs/dbraw/zinc/21/17/68/456211768.db2.gz SQMQTHJKMWYQMU-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237088151 456230701 /nfs/dbraw/zinc/23/07/01/456230701.db2.gz GALMAKXXCLCFDO-HNNXBMFYSA-N 2 2 338.377 3.075 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237088151 456230704 /nfs/dbraw/zinc/23/07/04/456230704.db2.gz GALMAKXXCLCFDO-HNNXBMFYSA-N 2 2 338.377 3.075 10 0 EGAELP Cc1cn2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)cc2[nH+]1 ZINC000620649880 460719929 /nfs/dbraw/zinc/71/99/29/460719929.db2.gz GBFSCSUNVOLLKO-UHFFFAOYSA-N 2 2 349.438 3.201 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)ccc2[nH+]1 ZINC000263912085 456261705 /nfs/dbraw/zinc/26/17/05/456261705.db2.gz LTBQBERUVQSYLN-HNNXBMFYSA-N 2 2 343.456 3.129 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000282764253 456617642 /nfs/dbraw/zinc/61/76/42/456617642.db2.gz PALBWRYJIUQPNP-MRXNPFEDSA-N 2 2 341.455 3.313 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000282764253 456617648 /nfs/dbraw/zinc/61/76/48/456617648.db2.gz PALBWRYJIUQPNP-MRXNPFEDSA-N 2 2 341.455 3.313 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000343464937 456640070 /nfs/dbraw/zinc/64/00/70/456640070.db2.gz XJFDYCPLJKWKFP-DNVCBOLYSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000343464937 456640079 /nfs/dbraw/zinc/64/00/79/456640079.db2.gz XJFDYCPLJKWKFP-DNVCBOLYSA-N 2 2 341.455 3.312 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373947 456666535 /nfs/dbraw/zinc/66/65/35/456666535.db2.gz LKGVJPSUJPJYRB-YJBOKZPZSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373947 456666540 /nfs/dbraw/zinc/66/65/40/456666540.db2.gz LKGVJPSUJPJYRB-YJBOKZPZSA-N 2 2 329.419 3.445 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000353425101 456691409 /nfs/dbraw/zinc/69/14/09/456691409.db2.gz IOAYQKQXLXRWLN-PMACEKPBSA-N 2 2 341.503 3.120 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000338205870 456706073 /nfs/dbraw/zinc/70/60/73/456706073.db2.gz KJVNAYBCYQOGKT-IEBWSBKVSA-N 2 2 344.499 3.259 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C)c(C)[nH+]1 ZINC000340912619 456757492 /nfs/dbraw/zinc/75/74/92/456757492.db2.gz KEGKPGILHYDFRY-OAHLLOKOSA-N 2 2 328.435 3.424 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000341274624 456830124 /nfs/dbraw/zinc/83/01/24/456830124.db2.gz RCZSWFNTAJKZJN-WMLDXEAASA-N 2 2 347.409 3.436 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000341274624 456830130 /nfs/dbraw/zinc/83/01/30/456830130.db2.gz RCZSWFNTAJKZJN-WMLDXEAASA-N 2 2 347.409 3.436 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292086755 456850892 /nfs/dbraw/zinc/85/08/92/456850892.db2.gz GJEFVQVVXIIYSU-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292086755 456850896 /nfs/dbraw/zinc/85/08/96/456850896.db2.gz GJEFVQVVXIIYSU-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292086755 456850901 /nfs/dbraw/zinc/85/09/01/456850901.db2.gz GJEFVQVVXIIYSU-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292086755 456850904 /nfs/dbraw/zinc/85/09/04/456850904.db2.gz GJEFVQVVXIIYSU-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccnn1-c1ccccc1 ZINC000348806551 456864085 /nfs/dbraw/zinc/86/40/85/456864085.db2.gz IGLDIVGRGYQGLF-UHFFFAOYSA-N 2 2 338.455 3.419 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccnn1-c1ccccc1 ZINC000348806551 456864088 /nfs/dbraw/zinc/86/40/88/456864088.db2.gz IGLDIVGRGYQGLF-UHFFFAOYSA-N 2 2 338.455 3.419 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccnn1-c1ccccc1)Cc1ccco1 ZINC000348806551 456864092 /nfs/dbraw/zinc/86/40/92/456864092.db2.gz IGLDIVGRGYQGLF-UHFFFAOYSA-N 2 2 338.455 3.419 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccnn1-c1ccccc1)Cc1ccco1 ZINC000348806551 456864094 /nfs/dbraw/zinc/86/40/94/456864094.db2.gz IGLDIVGRGYQGLF-UHFFFAOYSA-N 2 2 338.455 3.419 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000353970789 456983331 /nfs/dbraw/zinc/98/33/31/456983331.db2.gz FMVQEGXMOXTEMZ-GYMWCJPTSA-N 2 2 349.563 3.265 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000353970789 456983334 /nfs/dbraw/zinc/98/33/34/456983334.db2.gz FMVQEGXMOXTEMZ-GYMWCJPTSA-N 2 2 349.563 3.265 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438490 457119927 /nfs/dbraw/zinc/11/99/27/457119927.db2.gz OFNULLDAGFZETI-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438490 457119932 /nfs/dbraw/zinc/11/99/32/457119932.db2.gz OFNULLDAGFZETI-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438490 457119937 /nfs/dbraw/zinc/11/99/37/457119937.db2.gz OFNULLDAGFZETI-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438490 457119942 /nfs/dbraw/zinc/11/99/42/457119942.db2.gz OFNULLDAGFZETI-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360841479 457378703 /nfs/dbraw/zinc/37/87/03/457378703.db2.gz RXWHMTYBNKYSJY-GDBMZVCRSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360841479 457378708 /nfs/dbraw/zinc/37/87/08/457378708.db2.gz RXWHMTYBNKYSJY-GDBMZVCRSA-N 2 2 344.421 3.337 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1)C(C)C ZINC000363679605 457413316 /nfs/dbraw/zinc/41/33/16/457413316.db2.gz WJZOXIVWPDOJQZ-UHFFFAOYSA-N 2 2 340.471 3.078 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1)C(C)C ZINC000363679605 457413317 /nfs/dbraw/zinc/41/33/17/457413317.db2.gz WJZOXIVWPDOJQZ-UHFFFAOYSA-N 2 2 340.471 3.078 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390681471 457439414 /nfs/dbraw/zinc/43/94/14/457439414.db2.gz VYOOYEZVNGTJMB-IBGZPJMESA-N 2 2 330.497 3.437 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390681471 457439418 /nfs/dbraw/zinc/43/94/18/457439418.db2.gz VYOOYEZVNGTJMB-IBGZPJMESA-N 2 2 330.497 3.437 10 0 EGAELP OCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000390658977 457439621 /nfs/dbraw/zinc/43/96/21/457439621.db2.gz LJFSLOJTCBFMKM-AYHJJNSGSA-N 2 2 326.440 3.057 10 0 EGAELP OCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000390658977 457439628 /nfs/dbraw/zinc/43/96/28/457439628.db2.gz LJFSLOJTCBFMKM-AYHJJNSGSA-N 2 2 326.440 3.057 10 0 EGAELP C[C@@H](CCC(C)(C)C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000342707733 457470774 /nfs/dbraw/zinc/47/07/74/457470774.db2.gz JYJSXKWZEGBPGM-SFHVURJKSA-N 3 2 332.536 3.398 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C#N)c[nH+]1 ZINC000399587851 457510662 /nfs/dbraw/zinc/51/06/62/457510662.db2.gz NYBMLOQCHLNZIN-YZGWKJHDSA-N 2 2 332.451 3.006 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(C#N)c[nH+]1 ZINC000399587851 457510671 /nfs/dbraw/zinc/51/06/71/457510671.db2.gz NYBMLOQCHLNZIN-YZGWKJHDSA-N 2 2 332.451 3.006 10 0 EGAELP CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000425348918 457511986 /nfs/dbraw/zinc/51/19/86/457511986.db2.gz CUFQPHZOWPBFDJ-SFHVURJKSA-N 2 2 347.484 3.488 10 0 EGAELP CC[C@@](C)(C(=O)OC)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000425348918 457511990 /nfs/dbraw/zinc/51/19/90/457511990.db2.gz CUFQPHZOWPBFDJ-SFHVURJKSA-N 2 2 347.484 3.488 10 0 EGAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400398562 457514757 /nfs/dbraw/zinc/51/47/57/457514757.db2.gz PFEUXUREBUNICA-BRWVUGGUSA-N 2 2 339.524 3.096 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000361020941 457516933 /nfs/dbraw/zinc/51/69/33/457516933.db2.gz RPQYFQYMRUSCHW-UHFFFAOYSA-N 2 2 331.508 3.044 10 0 EGAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374211190 457523798 /nfs/dbraw/zinc/52/37/98/457523798.db2.gz JEYNXRMMEHAEIM-CQSZACIVSA-N 2 2 342.443 3.015 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cn1 ZINC000352721460 457558940 /nfs/dbraw/zinc/55/89/40/457558940.db2.gz RZJZBOJJIRKABR-LJQANCHMSA-N 2 2 343.446 3.294 10 0 EGAELP c1cc2c(cccc2CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000370193854 457581408 /nfs/dbraw/zinc/58/14/08/457581408.db2.gz LVIKTQZQNFHNCZ-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP Cn1c(CCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)[nH+]c2ccccc21 ZINC000370388260 457635968 /nfs/dbraw/zinc/63/59/68/457635968.db2.gz SKQMPSSOZRMEMS-UHFFFAOYSA-N 2 2 346.438 3.081 10 0 EGAELP Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000370671121 457696323 /nfs/dbraw/zinc/69/63/23/457696323.db2.gz MUXPJEVJWYDBDV-GOSISDBHSA-N 2 2 327.859 3.461 10 0 EGAELP C[N@H+](Cc1cncc(F)c1)[C@@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000370690194 457701662 /nfs/dbraw/zinc/70/16/62/457701662.db2.gz NVSTUUKHDVTKIX-LJQANCHMSA-N 2 2 346.425 3.241 10 0 EGAELP C[N@@H+](Cc1cncc(F)c1)[C@@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000370690194 457701664 /nfs/dbraw/zinc/70/16/64/457701664.db2.gz NVSTUUKHDVTKIX-LJQANCHMSA-N 2 2 346.425 3.241 10 0 EGAELP C[NH+](Cc1cncc(F)c1)[C@@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000370690194 457701666 /nfs/dbraw/zinc/70/16/66/457701666.db2.gz NVSTUUKHDVTKIX-LJQANCHMSA-N 2 2 346.425 3.241 10 0 EGAELP C[NH+](Cc1cncc(F)c1)[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000370690194 457701669 /nfs/dbraw/zinc/70/16/69/457701669.db2.gz NVSTUUKHDVTKIX-LJQANCHMSA-N 2 2 346.425 3.241 10 0 EGAELP O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929763 458013008 /nfs/dbraw/zinc/01/30/08/458013008.db2.gz YCHVPHQUHVSWKM-NHCUHLMSSA-N 2 2 333.435 3.239 10 0 EGAELP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929763 458013018 /nfs/dbraw/zinc/01/30/18/458013018.db2.gz YCHVPHQUHVSWKM-NHCUHLMSSA-N 2 2 333.435 3.239 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000434978232 458071626 /nfs/dbraw/zinc/07/16/26/458071626.db2.gz MLDKZDXDITXWPP-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000445809685 458091908 /nfs/dbraw/zinc/09/19/08/458091908.db2.gz GQYJYNDKCHAVMA-QFIPXVFZSA-N 2 2 346.478 3.420 10 0 EGAELP C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000445809685 458091912 /nfs/dbraw/zinc/09/19/12/458091912.db2.gz GQYJYNDKCHAVMA-QFIPXVFZSA-N 2 2 346.478 3.420 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000445811726 458093313 /nfs/dbraw/zinc/09/33/13/458093313.db2.gz TZNSDIWAQRPTBH-YLJYHZDGSA-N 2 2 335.455 3.211 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000445811726 458093316 /nfs/dbraw/zinc/09/33/16/458093316.db2.gz TZNSDIWAQRPTBH-YLJYHZDGSA-N 2 2 335.455 3.211 10 0 EGAELP CCOC(=O)CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000435278204 458112406 /nfs/dbraw/zinc/11/24/06/458112406.db2.gz FJKMVHRNLKYYKV-UHFFFAOYSA-N 2 2 333.457 3.289 10 0 EGAELP O[C@@H]([C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973880 458252233 /nfs/dbraw/zinc/25/22/33/458252233.db2.gz FTPNUYMCGNQIHW-RISCZKNCSA-N 2 2 345.390 3.069 10 0 EGAELP O[C@@H]([C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973880 458252239 /nfs/dbraw/zinc/25/22/39/458252239.db2.gz FTPNUYMCGNQIHW-RISCZKNCSA-N 2 2 345.390 3.069 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459390887 458357411 /nfs/dbraw/zinc/35/74/11/458357411.db2.gz UAQQZYIRDVDRTI-CYBMUJFWSA-N 2 2 349.438 3.405 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459480595 458386673 /nfs/dbraw/zinc/38/66/73/458386673.db2.gz MCHLXZOABMVIEF-IBGZPJMESA-N 2 2 330.476 3.005 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000459522356 458398938 /nfs/dbraw/zinc/39/89/38/458398938.db2.gz IASDYTUZJFUTBT-KKXNLOMOSA-N 2 2 343.515 3.018 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000430226380 458424697 /nfs/dbraw/zinc/42/46/97/458424697.db2.gz ORIJVISTPJXGNK-DOTOQJQBSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000430226380 458424699 /nfs/dbraw/zinc/42/46/99/458424699.db2.gz ORIJVISTPJXGNK-DOTOQJQBSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000430226380 458424703 /nfs/dbraw/zinc/42/47/03/458424703.db2.gz ORIJVISTPJXGNK-DOTOQJQBSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000430226380 458424706 /nfs/dbraw/zinc/42/47/06/458424706.db2.gz ORIJVISTPJXGNK-DOTOQJQBSA-N 2 2 340.471 3.067 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000373210527 458431428 /nfs/dbraw/zinc/43/14/28/458431428.db2.gz HDVRKPSGVSPOMY-KRWDZBQOSA-N 2 2 338.879 3.254 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)c1 ZINC000459667876 458441200 /nfs/dbraw/zinc/44/12/00/458441200.db2.gz SPWXRRNIKWFSOR-UHFFFAOYSA-N 2 2 338.238 3.335 10 0 EGAELP [NH3+]C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512108 458447678 /nfs/dbraw/zinc/44/76/78/458447678.db2.gz UODMSAMUIJMLPS-MXEMCNAFSA-N 3 2 327.516 3.289 10 0 EGAELP [NH3+]C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512108 458447681 /nfs/dbraw/zinc/44/76/81/458447681.db2.gz UODMSAMUIJMLPS-MXEMCNAFSA-N 3 2 327.516 3.289 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304527 458610818 /nfs/dbraw/zinc/61/08/18/458610818.db2.gz QWPYBVJPLFKGRK-QCZBUENISA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304527 458610822 /nfs/dbraw/zinc/61/08/22/458610822.db2.gz QWPYBVJPLFKGRK-QCZBUENISA-N 2 2 328.500 3.443 10 0 EGAELP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612349 458644395 /nfs/dbraw/zinc/64/43/95/458644395.db2.gz FRIJFSNVSVMVFO-HOTGVXAUSA-N 2 2 341.499 3.498 10 0 EGAELP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612349 458644401 /nfs/dbraw/zinc/64/44/01/458644401.db2.gz FRIJFSNVSVMVFO-HOTGVXAUSA-N 2 2 341.499 3.498 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245467 458729361 /nfs/dbraw/zinc/72/93/61/458729361.db2.gz YNBRAVGTOYOTCO-RHSMWYFYSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245467 458729364 /nfs/dbraw/zinc/72/93/64/458729364.db2.gz YNBRAVGTOYOTCO-RHSMWYFYSA-N 2 2 342.405 3.345 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000532437615 459088835 /nfs/dbraw/zinc/08/88/35/459088835.db2.gz DWILSQCXUZFFEE-INIZCTEOSA-N 2 2 326.444 3.240 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000532437615 459088844 /nfs/dbraw/zinc/08/88/44/459088844.db2.gz DWILSQCXUZFFEE-INIZCTEOSA-N 2 2 326.444 3.240 10 0 EGAELP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000578643055 459235750 /nfs/dbraw/zinc/23/57/50/459235750.db2.gz LGPDKLQUJUYEKW-FQEVSTJZSA-N 2 2 344.499 3.162 10 0 EGAELP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000578643055 459235755 /nfs/dbraw/zinc/23/57/55/459235755.db2.gz LGPDKLQUJUYEKW-FQEVSTJZSA-N 2 2 344.499 3.162 10 0 EGAELP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000582423514 459362704 /nfs/dbraw/zinc/36/27/04/459362704.db2.gz BBHXNGYQPJLEBD-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000582423514 459362711 /nfs/dbraw/zinc/36/27/11/459362711.db2.gz BBHXNGYQPJLEBD-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423514 459362717 /nfs/dbraw/zinc/36/27/17/459362717.db2.gz BBHXNGYQPJLEBD-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423514 459362725 /nfs/dbraw/zinc/36/27/25/459362725.db2.gz BBHXNGYQPJLEBD-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868807 459460562 /nfs/dbraw/zinc/46/05/62/459460562.db2.gz FJFDBYFSZSVAEI-AWEZNQCLSA-N 2 2 329.835 3.260 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868807 459460567 /nfs/dbraw/zinc/46/05/67/459460567.db2.gz FJFDBYFSZSVAEI-AWEZNQCLSA-N 2 2 329.835 3.260 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C2 ZINC000569521925 459464478 /nfs/dbraw/zinc/46/44/78/459464478.db2.gz OTYSXLVDZCSORM-BZUAXINKSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C2 ZINC000569521925 459464485 /nfs/dbraw/zinc/46/44/85/459464485.db2.gz OTYSXLVDZCSORM-BZUAXINKSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)CC2 ZINC000569521925 459464488 /nfs/dbraw/zinc/46/44/88/459464488.db2.gz OTYSXLVDZCSORM-BZUAXINKSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)CC2 ZINC000569521925 459464494 /nfs/dbraw/zinc/46/44/94/459464494.db2.gz OTYSXLVDZCSORM-BZUAXINKSA-N 2 2 346.519 3.017 10 0 EGAELP CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595863052 459467044 /nfs/dbraw/zinc/46/70/44/459467044.db2.gz JXQIRCGRKQAYSS-UHFFFAOYSA-N 2 2 342.483 3.200 10 0 EGAELP CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595863052 459467051 /nfs/dbraw/zinc/46/70/51/459467051.db2.gz JXQIRCGRKQAYSS-UHFFFAOYSA-N 2 2 342.483 3.200 10 0 EGAELP COC(=O)[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000592128438 459530663 /nfs/dbraw/zinc/53/06/63/459530663.db2.gz TZOBQVQSYMOXAP-NVXWUHKLSA-N 2 2 343.471 3.256 10 0 EGAELP COC(=O)[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000592128438 459530667 /nfs/dbraw/zinc/53/06/67/459530667.db2.gz TZOBQVQSYMOXAP-NVXWUHKLSA-N 2 2 343.471 3.256 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302905 459534856 /nfs/dbraw/zinc/53/48/56/459534856.db2.gz PJHXYRYZEYHRMV-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302905 459534863 /nfs/dbraw/zinc/53/48/63/459534863.db2.gz PJHXYRYZEYHRMV-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302905 459534868 /nfs/dbraw/zinc/53/48/68/459534868.db2.gz PJHXYRYZEYHRMV-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302905 459534873 /nfs/dbraw/zinc/53/48/73/459534873.db2.gz PJHXYRYZEYHRMV-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526084427 459544323 /nfs/dbraw/zinc/54/43/23/459544323.db2.gz QPZVYALAVKZAJG-FQEVSTJZSA-N 2 2 338.499 3.382 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526084427 459544332 /nfs/dbraw/zinc/54/43/32/459544332.db2.gz QPZVYALAVKZAJG-FQEVSTJZSA-N 2 2 338.499 3.382 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526084427 459544337 /nfs/dbraw/zinc/54/43/37/459544337.db2.gz QPZVYALAVKZAJG-FQEVSTJZSA-N 2 2 338.499 3.382 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563149147 459724514 /nfs/dbraw/zinc/72/45/14/459724514.db2.gz GVMMLNWZUVNEQU-RBUKOAKNSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563149147 459724521 /nfs/dbraw/zinc/72/45/21/459724521.db2.gz GVMMLNWZUVNEQU-RBUKOAKNSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563149147 459724524 /nfs/dbraw/zinc/72/45/24/459724524.db2.gz GVMMLNWZUVNEQU-RBUKOAKNSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563149147 459724531 /nfs/dbraw/zinc/72/45/31/459724531.db2.gz GVMMLNWZUVNEQU-RBUKOAKNSA-N 2 2 342.483 3.211 10 0 EGAELP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528001548 459792553 /nfs/dbraw/zinc/79/25/53/459792553.db2.gz HBNWYFANHBVZRD-NQIIRXRSSA-N 2 2 349.478 3.068 10 0 EGAELP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528001548 459792555 /nfs/dbraw/zinc/79/25/55/459792555.db2.gz HBNWYFANHBVZRD-NQIIRXRSSA-N 2 2 349.478 3.068 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000574822855 459878613 /nfs/dbraw/zinc/87/86/13/459878613.db2.gz NVADJFJAPJYVTN-UHFFFAOYSA-N 2 2 346.906 3.387 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3c(C)cccc32)CC1 ZINC000597242917 459893136 /nfs/dbraw/zinc/89/31/36/459893136.db2.gz XCTCDCRNRANRER-FQEVSTJZSA-N 2 2 344.499 3.380 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000593698332 459956141 /nfs/dbraw/zinc/95/61/41/459956141.db2.gz RHYHBVASGBMWFT-HNNXBMFYSA-N 2 2 335.473 3.486 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000593698332 459956147 /nfs/dbraw/zinc/95/61/47/459956147.db2.gz RHYHBVASGBMWFT-HNNXBMFYSA-N 2 2 335.473 3.486 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682393 460192524 /nfs/dbraw/zinc/19/25/24/460192524.db2.gz LOHQRQLOIKHSSJ-ICSRJNTNSA-N 3 2 326.488 3.164 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682393 460192529 /nfs/dbraw/zinc/19/25/29/460192529.db2.gz LOHQRQLOIKHSSJ-ICSRJNTNSA-N 3 2 326.488 3.164 10 0 EGAELP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968495 460365473 /nfs/dbraw/zinc/36/54/73/460365473.db2.gz XATBXPLCXSJRKY-IRLDBZIGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968495 460365477 /nfs/dbraw/zinc/36/54/77/460365477.db2.gz XATBXPLCXSJRKY-IRLDBZIGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603968495 460365480 /nfs/dbraw/zinc/36/54/80/460365480.db2.gz XATBXPLCXSJRKY-IRLDBZIGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603968495 460365485 /nfs/dbraw/zinc/36/54/85/460365485.db2.gz XATBXPLCXSJRKY-IRLDBZIGSA-N 2 2 338.495 3.489 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000628351607 460377007 /nfs/dbraw/zinc/37/70/07/460377007.db2.gz JRQQUOAWHHDGAJ-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000628351607 460377011 /nfs/dbraw/zinc/37/70/11/460377011.db2.gz JRQQUOAWHHDGAJ-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP COC[C@]1(C)C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000626177028 460412452 /nfs/dbraw/zinc/41/24/52/460412452.db2.gz CVWRWVGVJKEXJF-FQEVSTJZSA-N 2 2 345.487 3.252 10 0 EGAELP COC[C@]1(C)C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000626177028 460412456 /nfs/dbraw/zinc/41/24/56/460412456.db2.gz CVWRWVGVJKEXJF-FQEVSTJZSA-N 2 2 345.487 3.252 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000619771252 460439505 /nfs/dbraw/zinc/43/95/05/460439505.db2.gz WOJCYXWOFPQXKN-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000619771252 460439514 /nfs/dbraw/zinc/43/95/14/460439514.db2.gz WOJCYXWOFPQXKN-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP Fc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCC(F)(F)F ZINC000623335974 460494155 /nfs/dbraw/zinc/49/41/55/460494155.db2.gz ORTCPAAJZVWAAA-UHFFFAOYSA-N 2 2 331.313 3.143 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623375980 460517259 /nfs/dbraw/zinc/51/72/59/460517259.db2.gz BCHPBYHAYXAUDQ-MRXNPFEDSA-N 3 2 330.451 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623375980 460517261 /nfs/dbraw/zinc/51/72/61/460517261.db2.gz BCHPBYHAYXAUDQ-MRXNPFEDSA-N 3 2 330.451 3.282 10 0 EGAELP Cc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000623428075 460543398 /nfs/dbraw/zinc/54/33/98/460543398.db2.gz ZHKRYJSMCDRTFH-SFHVURJKSA-N 2 2 339.483 3.380 10 0 EGAELP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435422 460548077 /nfs/dbraw/zinc/54/80/77/460548077.db2.gz DOSLMWMRBDIZGJ-MSOLQXFVSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435422 460548085 /nfs/dbraw/zinc/54/80/85/460548085.db2.gz DOSLMWMRBDIZGJ-MSOLQXFVSA-N 2 2 326.488 3.166 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n1)C2 ZINC000623868829 460752468 /nfs/dbraw/zinc/75/24/68/460752468.db2.gz IPVQCXHZFCWFHF-MSOLQXFVSA-N 2 2 335.455 3.036 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)n1)C2 ZINC000623868829 460752477 /nfs/dbraw/zinc/75/24/77/460752477.db2.gz IPVQCXHZFCWFHF-MSOLQXFVSA-N 2 2 335.455 3.036 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000629518145 460791397 /nfs/dbraw/zinc/79/13/97/460791397.db2.gz DQOYBHKYZWMLBG-CZAAIQMYSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C[NH2+]1 ZINC000629536490 460798755 /nfs/dbraw/zinc/79/87/55/460798755.db2.gz GGJNKUFQVVHFMQ-UXIGCNINSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C[NH2+]1 ZINC000629541825 460801382 /nfs/dbraw/zinc/80/13/82/460801382.db2.gz WUWMJJDFVATLAY-ZLDLUXBVSA-N 2 2 339.277 3.393 10 0 EGAELP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629558761 460807539 /nfs/dbraw/zinc/80/75/39/460807539.db2.gz NFESRTOIIYLMLE-DOMZBBRYSA-N 2 2 339.277 3.204 10 0 EGAELP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629558761 460807543 /nfs/dbraw/zinc/80/75/43/460807543.db2.gz NFESRTOIIYLMLE-DOMZBBRYSA-N 2 2 339.277 3.204 10 0 EGAELP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629654021 460849647 /nfs/dbraw/zinc/84/96/47/460849647.db2.gz LGNXCZBHCYOJPW-UHFFFAOYSA-N 2 2 340.467 3.268 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182725 461035852 /nfs/dbraw/zinc/03/58/52/461035852.db2.gz FUUMWUQRZACFDI-CZUORRHYSA-N 2 2 340.309 3.315 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182725 461035855 /nfs/dbraw/zinc/03/58/55/461035855.db2.gz FUUMWUQRZACFDI-CZUORRHYSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182725 461035859 /nfs/dbraw/zinc/03/58/59/461035859.db2.gz FUUMWUQRZACFDI-CZUORRHYSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182725 461035864 /nfs/dbraw/zinc/03/58/64/461035864.db2.gz FUUMWUQRZACFDI-CZUORRHYSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628184882 461038202 /nfs/dbraw/zinc/03/82/02/461038202.db2.gz BCXRQLCJGBGJTP-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628184882 461038205 /nfs/dbraw/zinc/03/82/05/461038205.db2.gz BCXRQLCJGBGJTP-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP c1[nH]nc2cccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c12 ZINC000628262812 461065112 /nfs/dbraw/zinc/06/51/12/461065112.db2.gz ZSOJTKCIGNKJNH-MRXNPFEDSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH]nc2cccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c12 ZINC000628262812 461065117 /nfs/dbraw/zinc/06/51/17/461065117.db2.gz ZSOJTKCIGNKJNH-MRXNPFEDSA-N 2 2 335.455 3.475 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000608494891 461074878 /nfs/dbraw/zinc/07/48/78/461074878.db2.gz BZDJAUZSBQMXKE-GOSISDBHSA-N 2 2 325.391 3.045 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000608494891 461074882 /nfs/dbraw/zinc/07/48/82/461074882.db2.gz BZDJAUZSBQMXKE-GOSISDBHSA-N 2 2 325.391 3.045 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668161974 461147261 /nfs/dbraw/zinc/14/72/61/461147261.db2.gz KXQOYJSOIQXNAR-MJGOQNOKSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668161974 461147268 /nfs/dbraw/zinc/14/72/68/461147268.db2.gz KXQOYJSOIQXNAR-MJGOQNOKSA-N 2 2 349.438 3.210 10 0 EGAELP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319768 461189119 /nfs/dbraw/zinc/18/91/19/461189119.db2.gz LYRLZUHWRFWRDC-SJLPKXTDSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319768 461189129 /nfs/dbraw/zinc/18/91/29/461189129.db2.gz LYRLZUHWRFWRDC-SJLPKXTDSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649577972 461189666 /nfs/dbraw/zinc/18/96/66/461189666.db2.gz APJJMKOUJFZPGT-MJGOQNOKSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649577972 461189667 /nfs/dbraw/zinc/18/96/67/461189667.db2.gz APJJMKOUJFZPGT-MJGOQNOKSA-N 2 2 338.499 3.220 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326586 461195515 /nfs/dbraw/zinc/19/55/15/461195515.db2.gz WLWDRFFYAIRDIS-GOSISDBHSA-N 2 2 333.520 3.310 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326586 461195518 /nfs/dbraw/zinc/19/55/18/461195518.db2.gz WLWDRFFYAIRDIS-GOSISDBHSA-N 2 2 333.520 3.310 10 0 EGAELP c1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn2c1CCCC2 ZINC000655717093 461387737 /nfs/dbraw/zinc/38/77/37/461387737.db2.gz URCDZXYECOSKIT-UHFFFAOYSA-N 2 2 338.499 3.016 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000655744880 461411333 /nfs/dbraw/zinc/41/13/33/461411333.db2.gz WFQGEJZWHJGHDY-JTDSTZFVSA-N 2 2 340.471 3.439 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000655744880 461411338 /nfs/dbraw/zinc/41/13/38/461411338.db2.gz WFQGEJZWHJGHDY-JTDSTZFVSA-N 2 2 340.471 3.439 10 0 EGAELP Cc1csc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)n1 ZINC000655745053 461411553 /nfs/dbraw/zinc/41/15/53/461411553.db2.gz ZWSNYJNDYQKFGP-INIZCTEOSA-N 2 2 335.517 3.064 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCn4ccnc43)C2)CC1 ZINC000655764453 461431788 /nfs/dbraw/zinc/43/17/88/461431788.db2.gz IHBBLDQIYBSIBH-NRXISQOPSA-N 2 2 342.409 3.113 10 0 EGAELP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653105283 461503010 /nfs/dbraw/zinc/50/30/10/461503010.db2.gz PFGCRDSQKFICLI-CVEARBPZSA-N 2 2 338.455 3.232 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647146871 461523477 /nfs/dbraw/zinc/52/34/77/461523477.db2.gz DPZXGOYNUYEYBI-AWEZNQCLSA-N 2 2 325.416 3.039 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000631080752 461529785 /nfs/dbraw/zinc/52/97/85/461529785.db2.gz YAIMXPYTCDMFNE-MWLCHTKSSA-N 2 2 332.673 3.070 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@H+]1C ZINC000631080752 461529791 /nfs/dbraw/zinc/52/97/91/461529791.db2.gz YAIMXPYTCDMFNE-MWLCHTKSSA-N 2 2 332.673 3.070 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656113126 461599382 /nfs/dbraw/zinc/59/93/82/461599382.db2.gz GMOHJEHHNDEKND-AWEZNQCLSA-N 2 2 332.473 3.179 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000656113126 461599385 /nfs/dbraw/zinc/59/93/85/461599385.db2.gz GMOHJEHHNDEKND-AWEZNQCLSA-N 2 2 332.473 3.179 10 0 EGAELP Cc1cc(CO)cc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)[nH+]1 ZINC000663381521 461603771 /nfs/dbraw/zinc/60/37/71/461603771.db2.gz JCWIZDPFUOTMBO-HNNXBMFYSA-N 2 2 345.874 3.419 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195311 461634659 /nfs/dbraw/zinc/63/46/59/461634659.db2.gz FANJGTORMWWECJ-APWZRJJASA-N 2 2 339.483 3.256 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195311 461634663 /nfs/dbraw/zinc/63/46/63/461634663.db2.gz FANJGTORMWWECJ-APWZRJJASA-N 2 2 339.483 3.256 10 0 EGAELP CC[NH+](CC)[C@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663674387 461747693 /nfs/dbraw/zinc/74/76/93/461747693.db2.gz QIVASTGANLMIEK-HNNXBMFYSA-N 2 2 329.444 3.173 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000666690786 461761686 /nfs/dbraw/zinc/76/16/86/461761686.db2.gz KNTYKAZEKFCASU-KRWDZBQOSA-N 2 2 328.460 3.289 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190778 461792517 /nfs/dbraw/zinc/79/25/17/461792517.db2.gz CJFMYWQSJHUAKK-LZJOCLMNSA-N 3 2 336.483 3.225 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190778 461792523 /nfs/dbraw/zinc/79/25/23/461792523.db2.gz CJFMYWQSJHUAKK-LZJOCLMNSA-N 3 2 336.483 3.225 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)C[C@H]2C1 ZINC000643883529 461825586 /nfs/dbraw/zinc/82/55/86/461825586.db2.gz FKVMDIGWQCMZSN-UJMXGEILSA-N 2 2 339.483 3.497 10 0 EGAELP Cc1nc(NC2CC([NH+]3CCCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663864162 461846777 /nfs/dbraw/zinc/84/67/77/461846777.db2.gz MZQVDOQBZWCGOV-UHFFFAOYSA-N 2 2 339.281 3.285 10 0 EGAELP Brc1cncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656789264 461899402 /nfs/dbraw/zinc/89/94/02/461899402.db2.gz VCHYKTQQQXRQSZ-IAGOWNOFSA-N 2 2 346.272 3.079 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347979 462062095 /nfs/dbraw/zinc/06/20/95/462062095.db2.gz INOALSOEDIDRFV-MJGOQNOKSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347979 462062100 /nfs/dbraw/zinc/06/21/00/462062100.db2.gz INOALSOEDIDRFV-MJGOQNOKSA-N 2 2 347.466 3.192 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H]1c1cccs1 ZINC000657374152 462079312 /nfs/dbraw/zinc/07/93/12/462079312.db2.gz FQTLFISHYZVODI-KSSFIOAISA-N 2 2 345.516 3.237 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H]1c1cccs1 ZINC000657374152 462079318 /nfs/dbraw/zinc/07/93/18/462079318.db2.gz FQTLFISHYZVODI-KSSFIOAISA-N 2 2 345.516 3.237 10 0 EGAELP Cc1[nH+]cc(CNc2ccc(C[NH+](C)C)c(Br)c2)n1C ZINC000657447004 462130128 /nfs/dbraw/zinc/13/01/28/462130128.db2.gz NWELOINJINYQQG-UHFFFAOYSA-N 2 2 337.265 3.165 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657776908 462261224 /nfs/dbraw/zinc/26/12/24/462261224.db2.gz IHEABUFYIJONIO-DOTOQJQBSA-N 2 2 338.442 3.179 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000657776908 462261229 /nfs/dbraw/zinc/26/12/29/462261229.db2.gz IHEABUFYIJONIO-DOTOQJQBSA-N 2 2 338.442 3.179 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000657773911 462261535 /nfs/dbraw/zinc/26/15/35/462261535.db2.gz VYHZKOMCNBZSDB-IBGZPJMESA-N 2 2 338.499 3.120 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000657773911 462261536 /nfs/dbraw/zinc/26/15/36/462261536.db2.gz VYHZKOMCNBZSDB-IBGZPJMESA-N 2 2 338.499 3.120 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccccn2)cc1F ZINC000665259290 462374497 /nfs/dbraw/zinc/37/44/97/462374497.db2.gz ASYIDHIHNAPGNU-XUWXXGDYSA-N 2 2 329.419 3.026 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277345 462381321 /nfs/dbraw/zinc/38/13/21/462381321.db2.gz ZHHUWMQJGAIVRC-YZGWKJHDSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277345 462381324 /nfs/dbraw/zinc/38/13/24/462381324.db2.gz ZHHUWMQJGAIVRC-YZGWKJHDSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102890 462385118 /nfs/dbraw/zinc/38/51/18/462385118.db2.gz RHYOEACBMHZZTD-RXABAKJHSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102890 462385123 /nfs/dbraw/zinc/38/51/23/462385123.db2.gz RHYOEACBMHZZTD-RXABAKJHSA-N 2 2 337.471 3.069 10 0 EGAELP CCCn1nccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668104423 462422290 /nfs/dbraw/zinc/42/22/90/462422290.db2.gz HROCXEPGRVOLTK-INIZCTEOSA-N 2 2 327.476 3.206 10 0 EGAELP CCCn1nccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668104423 462422293 /nfs/dbraw/zinc/42/22/93/462422293.db2.gz HROCXEPGRVOLTK-INIZCTEOSA-N 2 2 327.476 3.206 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000658228862 462435651 /nfs/dbraw/zinc/43/56/51/462435651.db2.gz XRAFLIXGZZDLPB-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000658228862 462435653 /nfs/dbraw/zinc/43/56/53/462435653.db2.gz XRAFLIXGZZDLPB-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652148418 462450341 /nfs/dbraw/zinc/45/03/41/462450341.db2.gz YKGYSYLLKVDRSK-UXHICEINSA-N 2 2 331.504 3.403 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652148418 462450346 /nfs/dbraw/zinc/45/03/46/462450346.db2.gz YKGYSYLLKVDRSK-UXHICEINSA-N 2 2 331.504 3.403 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317078 462473357 /nfs/dbraw/zinc/47/33/57/462473357.db2.gz JAMWEDRSXHBMIJ-MJGOQNOKSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317078 462473363 /nfs/dbraw/zinc/47/33/63/462473363.db2.gz JAMWEDRSXHBMIJ-MJGOQNOKSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661979611 462492679 /nfs/dbraw/zinc/49/26/79/462492679.db2.gz ZRVCGRXXHXSXCK-SFHVURJKSA-N 2 2 344.499 3.052 10 0 EGAELP C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661979611 462492683 /nfs/dbraw/zinc/49/26/83/462492683.db2.gz ZRVCGRXXHXSXCK-SFHVURJKSA-N 2 2 344.499 3.052 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000649414991 462503525 /nfs/dbraw/zinc/50/35/25/462503525.db2.gz CXCDMYWCKKHUJZ-RHSMWYFYSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000649414991 462503526 /nfs/dbraw/zinc/50/35/26/462503526.db2.gz CXCDMYWCKKHUJZ-RHSMWYFYSA-N 2 2 329.419 3.445 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360869 527756493 /nfs/dbraw/zinc/75/64/93/527756493.db2.gz ZEPHRXGESWLLSF-OXQOHEQNSA-N 2 2 344.478 3.233 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360869 527756499 /nfs/dbraw/zinc/75/64/99/527756499.db2.gz ZEPHRXGESWLLSF-OXQOHEQNSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360869 527756508 /nfs/dbraw/zinc/75/65/08/527756508.db2.gz ZEPHRXGESWLLSF-OXQOHEQNSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360869 527756513 /nfs/dbraw/zinc/75/65/13/527756513.db2.gz ZEPHRXGESWLLSF-OXQOHEQNSA-N 2 2 344.478 3.233 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000185978470 535804977 /nfs/dbraw/zinc/80/49/77/535804977.db2.gz NWLJBNBGTDYSPL-XJKSGUPXSA-N 2 2 328.859 3.367 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129460001 546788532 /nfs/dbraw/zinc/78/85/32/546788532.db2.gz FWTUGVMLCWNLDV-DOTOQJQBSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129460001 546788536 /nfs/dbraw/zinc/78/85/36/546788536.db2.gz FWTUGVMLCWNLDV-DOTOQJQBSA-N 2 2 337.427 3.325 10 0 EGAELP C[C@@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000187755466 547141857 /nfs/dbraw/zinc/14/18/57/547141857.db2.gz XXZSZXPIPXQFAY-NRFANRHFSA-N 2 2 348.450 3.119 10 0 EGAELP C[C@@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000187755466 547141866 /nfs/dbraw/zinc/14/18/66/547141866.db2.gz XXZSZXPIPXQFAY-NRFANRHFSA-N 2 2 348.450 3.119 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000553010543 548065768 /nfs/dbraw/zinc/06/57/68/548065768.db2.gz NMUUGURCIXQUFO-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000553010543 548065774 /nfs/dbraw/zinc/06/57/74/548065774.db2.gz NMUUGURCIXQUFO-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657396510 548168772 /nfs/dbraw/zinc/16/87/72/548168772.db2.gz KWIIAKSSPFUKEB-AWEZNQCLSA-N 2 2 336.443 3.348 10 0 EGAELP Fc1cccc(-n2ccc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)n2)c1 ZINC000674373070 548740195 /nfs/dbraw/zinc/74/01/95/548740195.db2.gz ZPKMBBAQYOPQFZ-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677306633 549246031 /nfs/dbraw/zinc/24/60/31/549246031.db2.gz ONBOYRHWRDTYKL-HKUYNNGSSA-N 2 2 349.563 3.220 10 0 EGAELP CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677306633 549246033 /nfs/dbraw/zinc/24/60/33/549246033.db2.gz ONBOYRHWRDTYKL-HKUYNNGSSA-N 2 2 349.563 3.220 10 0 EGAELP C[C@@H](CCc1ccco1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045786 549625168 /nfs/dbraw/zinc/62/51/68/549625168.db2.gz XFHASDMELOWXOI-GHTZIAJQSA-N 2 2 342.483 3.217 10 0 EGAELP C[C@@H](CCc1ccco1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045786 549625173 /nfs/dbraw/zinc/62/51/73/549625173.db2.gz XFHASDMELOWXOI-GHTZIAJQSA-N 2 2 342.483 3.217 10 0 EGAELP Fc1ccc([C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2[nH]cc[nH+]2)cc1 ZINC000682140012 550076769 /nfs/dbraw/zinc/07/67/69/550076769.db2.gz ZDVRYBOHFUZYRV-QGZVFWFLSA-N 2 2 334.358 3.331 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684572977 550344356 /nfs/dbraw/zinc/34/43/56/550344356.db2.gz ODINNJAMYPFYNW-ZDUSSCGKSA-N 2 2 326.375 3.421 10 0 EGAELP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000685451422 550417855 /nfs/dbraw/zinc/41/78/55/550417855.db2.gz MKMGVSOMQGRIPM-UHFFFAOYSA-N 2 2 347.825 3.491 10 0 EGAELP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000685451422 550417856 /nfs/dbraw/zinc/41/78/56/550417856.db2.gz MKMGVSOMQGRIPM-UHFFFAOYSA-N 2 2 347.825 3.491 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000729681464 574878241 /nfs/dbraw/zinc/87/82/41/574878241.db2.gz CYJPHLUAXRPOKA-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000729681464 574878244 /nfs/dbraw/zinc/87/82/44/574878244.db2.gz CYJPHLUAXRPOKA-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731039934 575045984 /nfs/dbraw/zinc/04/59/84/575045984.db2.gz FJKUMRGKVRYMRZ-RBBKRZOGSA-N 2 2 336.479 3.091 10 0 EGAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731039934 575045985 /nfs/dbraw/zinc/04/59/85/575045985.db2.gz FJKUMRGKVRYMRZ-RBBKRZOGSA-N 2 2 336.479 3.091 10 0 EGAELP CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000074229750 1292342282 /nfs/dbraw/zinc/34/22/82/1292342282.db2.gz FFKZERQDLHGMII-OAHLLOKOSA-N 2 2 334.423 3.083 10 0 EGAELP O[C@@]1(CNc2[nH+]ccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702588384 1298196022 /nfs/dbraw/zinc/19/60/22/1298196022.db2.gz RTQVIKZLWFOVKO-OAQYLSRUSA-N 2 2 333.435 3.284 10 0 EGAELP O[C@@]1(CNc2[nH+]ccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702588384 1298196026 /nfs/dbraw/zinc/19/60/26/1298196026.db2.gz RTQVIKZLWFOVKO-OAQYLSRUSA-N 2 2 333.435 3.284 10 0 EGAELP Brc1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000876576817 1298841531 /nfs/dbraw/zinc/84/15/31/1298841531.db2.gz QKWBQZXRKLDKSK-UHFFFAOYSA-N 2 2 338.293 3.152 10 0 EGAELP CCc1c[nH]c2nc[nH+]c(N3CC[C@H](CNc4cc(C)cc[nH+]4)C3)c12 ZINC000892220343 1305283250 /nfs/dbraw/zinc/28/32/50/1305283250.db2.gz WGCLYPCJNGAPNN-CQSZACIVSA-N 2 2 336.443 3.162 10 0 EGAELP COC(=O)c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)[nH]c1C(C)C ZINC000894621097 1308982972 /nfs/dbraw/zinc/98/29/72/1308982972.db2.gz GOXCIGKOSMCKIV-UHFFFAOYSA-N 2 2 333.476 3.031 10 0 EGAELP Cn1cnc2cc(CN(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC000895110700 1309195010 /nfs/dbraw/zinc/19/50/10/1309195010.db2.gz UPKKYLUTNYMFGW-QAQDUYKDSA-N 2 2 335.455 3.245 10 0 EGAELP CCO[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1SC ZINC000895111152 1309195034 /nfs/dbraw/zinc/19/50/34/1309195034.db2.gz AAFCGPBXSOOTLQ-YXISZKLHSA-N 2 2 335.517 3.067 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000895115233 1309196385 /nfs/dbraw/zinc/19/63/85/1309196385.db2.gz NJKFRAPNCMYMDP-FYAJOAKPSA-N 2 2 327.472 3.116 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1F ZINC000857850082 1328602686 /nfs/dbraw/zinc/60/26/86/1328602686.db2.gz NTTUADDODXGEAO-INIZCTEOSA-N 2 2 325.391 3.210 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850835 1328603324 /nfs/dbraw/zinc/60/33/24/1328603324.db2.gz ALQXCQJTDZXYCA-PBHICJAKSA-N 2 2 330.501 3.350 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850835 1328603335 /nfs/dbraw/zinc/60/33/35/1328603335.db2.gz ALQXCQJTDZXYCA-PBHICJAKSA-N 2 2 330.501 3.350 10 0 EGAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858283331 1328728017 /nfs/dbraw/zinc/72/80/17/1328728017.db2.gz GZIHDDBUDUTUNS-UIVXKWKOSA-N 2 2 331.504 3.123 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372732 1328844278 /nfs/dbraw/zinc/84/42/78/1328844278.db2.gz DAHYZJLZSKWPTJ-KRWDZBQOSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372732 1328844279 /nfs/dbraw/zinc/84/42/79/1328844279.db2.gz DAHYZJLZSKWPTJ-KRWDZBQOSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372732 1328844280 /nfs/dbraw/zinc/84/42/80/1328844280.db2.gz DAHYZJLZSKWPTJ-KRWDZBQOSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372732 1328844281 /nfs/dbraw/zinc/84/42/81/1328844281.db2.gz DAHYZJLZSKWPTJ-KRWDZBQOSA-N 2 2 344.528 3.417 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c[nH+]1 ZINC000921518839 1322337733 /nfs/dbraw/zinc/33/77/33/1322337733.db2.gz YOMQLSULCVYRSN-LSTHTHJFSA-N 2 2 325.456 3.226 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532621 1322342770 /nfs/dbraw/zinc/34/27/70/1322342770.db2.gz MBIGXBAXUSTYTO-IKGGRYGDSA-N 2 2 339.524 3.144 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532621 1322342776 /nfs/dbraw/zinc/34/27/76/1322342776.db2.gz MBIGXBAXUSTYTO-IKGGRYGDSA-N 2 2 339.524 3.144 10 0 EGAELP COc1ccc(Br)cc1C1([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000923382598 1322743174 /nfs/dbraw/zinc/74/31/74/1322743174.db2.gz DKAORCDRSFFUMB-UHFFFAOYSA-N 2 2 339.277 3.179 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000924535139 1323046956 /nfs/dbraw/zinc/04/69/56/1323046956.db2.gz VHSFNOAIVXBHHU-CQSZACIVSA-N 2 2 335.249 3.098 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)n1 ZINC000924585274 1323063299 /nfs/dbraw/zinc/06/32/99/1323063299.db2.gz UMVJHIHWWBTPDD-HNNXBMFYSA-N 2 2 329.492 3.299 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c[nH+]1 ZINC000924626765 1323082881 /nfs/dbraw/zinc/08/28/81/1323082881.db2.gz XOKZZFAOXRZZSK-VQTJNVASSA-N 2 2 325.456 3.226 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(OC)n1 ZINC000924722145 1323133070 /nfs/dbraw/zinc/13/30/70/1323133070.db2.gz GEMUFUATMSGFNC-MRXNPFEDSA-N 2 2 337.427 3.220 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)n(C)n1 ZINC000924853041 1323187787 /nfs/dbraw/zinc/18/77/87/1323187787.db2.gz YCFCZQAGPIMPKT-BJLQDIEVSA-N 2 2 332.536 3.150 10 0 EGAELP c1ccc([C@H]2CC[C@@H](C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284295 1329085060 /nfs/dbraw/zinc/08/50/60/1329085060.db2.gz RHMQWXUNSXCNON-LEWJYISDSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@H]2CC[C@@H](C[NH+]3CCC([N@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284295 1329085065 /nfs/dbraw/zinc/08/50/65/1329085065.db2.gz RHMQWXUNSXCNON-LEWJYISDSA-N 2 2 344.499 3.093 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCOC[C@H]3C(C)C)cc2)CC1 ZINC000925728130 1325271708 /nfs/dbraw/zinc/27/17/08/1325271708.db2.gz BDKSAOLTJSWEQR-PMACEKPBSA-N 2 2 331.504 3.302 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000926112318 1325432013 /nfs/dbraw/zinc/43/20/13/1325432013.db2.gz RVRKKOGUGSUUGY-WMZOPIPTSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000926112318 1325432016 /nfs/dbraw/zinc/43/20/16/1325432016.db2.gz RVRKKOGUGSUUGY-WMZOPIPTSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc2ccccc21 ZINC000926505095 1325579256 /nfs/dbraw/zinc/57/92/56/1325579256.db2.gz YIWUXRGORNCJTP-QFBILLFUSA-N 2 2 342.483 3.346 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc2ccccc21 ZINC000926505095 1325579265 /nfs/dbraw/zinc/57/92/65/1325579265.db2.gz YIWUXRGORNCJTP-QFBILLFUSA-N 2 2 342.483 3.346 10 0 EGAELP c1ccc(SC2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000926719098 1327681989 /nfs/dbraw/zinc/68/19/89/1327681989.db2.gz QEZQQXBCHCPDOR-HFCFLWKCSA-N 2 2 332.513 3.153 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000926956961 1327795469 /nfs/dbraw/zinc/79/54/69/1327795469.db2.gz DUBDZFWYFXPBFM-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000926956961 1327795472 /nfs/dbraw/zinc/79/54/72/1327795472.db2.gz DUBDZFWYFXPBFM-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP Cc1ccnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Br ZINC000865476945 1329702899 /nfs/dbraw/zinc/70/28/99/1329702899.db2.gz LNFTVQJKNBLYPN-AGUYFDCRSA-N 2 2 338.293 3.257 10 0 EGAELP Cc1ccnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1Br ZINC000865476945 1329702900 /nfs/dbraw/zinc/70/29/00/1329702900.db2.gz LNFTVQJKNBLYPN-AGUYFDCRSA-N 2 2 338.293 3.257 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934214084 1329956235 /nfs/dbraw/zinc/95/62/35/1329956235.db2.gz KWWPTQGJZWFVPY-DYESRHJHSA-N 2 2 349.434 3.013 10 0 EGAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001323157519 1387303935 /nfs/dbraw/zinc/30/39/35/1387303935.db2.gz DONGTWOGFSNUEL-AEFFLSMTSA-N 2 2 348.535 3.006 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645085 1387416317 /nfs/dbraw/zinc/41/63/17/1387416317.db2.gz XLNGBKOEGRAIAJ-VKCQWTKXSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645085 1387416319 /nfs/dbraw/zinc/41/63/19/1387416319.db2.gz XLNGBKOEGRAIAJ-VKCQWTKXSA-N 2 2 344.503 3.012 10 0 EGAELP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639767 1387415319 /nfs/dbraw/zinc/41/53/19/1387415319.db2.gz ALYPUDUPVDXJSV-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639767 1387415321 /nfs/dbraw/zinc/41/53/21/1387415321.db2.gz ALYPUDUPVDXJSV-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001323992381 1387505621 /nfs/dbraw/zinc/50/56/21/1387505621.db2.gz BEIXXIGIYYBMJU-VQIMIIECSA-N 2 2 340.471 3.128 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001324057263 1387523223 /nfs/dbraw/zinc/52/32/23/1387523223.db2.gz QPRQTGFQMBYQJE-QAPCUYQASA-N 2 2 342.487 3.416 10 0 EGAELP C[C@]1(C[NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324738222 1387757848 /nfs/dbraw/zinc/75/78/48/1387757848.db2.gz STNGXXYXOVAZGN-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@]1(C[NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324738222 1387757852 /nfs/dbraw/zinc/75/78/52/1387757852.db2.gz STNGXXYXOVAZGN-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324961196 1387855932 /nfs/dbraw/zinc/85/59/32/1387855932.db2.gz POMRDQDFDKVQGI-PKOBYXMFSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324961196 1387855938 /nfs/dbraw/zinc/85/59/38/1387855938.db2.gz POMRDQDFDKVQGI-PKOBYXMFSA-N 2 2 332.492 3.019 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591510 1368847685 /nfs/dbraw/zinc/84/76/85/1368847685.db2.gz ZHHSWXPHNPGAIF-LEWJYISDSA-N 3 2 338.499 3.036 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591510 1368847688 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CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280761607 1378370490 /nfs/dbraw/zinc/37/04/90/1378370490.db2.gz YXCKLKRICZMJSH-ZBKUBXTQSA-N 2 2 346.519 3.305 10 0 EGAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001284599055 1379999878 /nfs/dbraw/zinc/99/98/78/1379999878.db2.gz RRZYHBKYSFIRDM-DLBZAZTESA-N 2 2 336.524 3.247 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C[NH2+]CC2CC(C)C2)C(C)(C)C)c[nH+]1 ZINC001284603436 1380004173 /nfs/dbraw/zinc/00/41/73/1380004173.db2.gz ICQKODMDDATCGC-BDVYOWHSSA-N 2 2 348.535 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001328258080 1388701245 /nfs/dbraw/zinc/70/12/45/1388701245.db2.gz NOCFHULHUPCXAC-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001328258080 1388701246 /nfs/dbraw/zinc/70/12/46/1388701246.db2.gz NOCFHULHUPCXAC-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001316662123 1384510371 /nfs/dbraw/zinc/51/03/71/1384510371.db2.gz CVSJYVIOJIKVBM-YESZJQIVSA-N 2 2 334.508 3.145 10 0 EGAELP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316879036 1384663954 /nfs/dbraw/zinc/66/39/54/1384663954.db2.gz KNADILADDKZRSD-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001329070737 1388953322 /nfs/dbraw/zinc/95/33/22/1388953322.db2.gz RUMLENTVHZFGES-HZPDHXFCSA-N 2 2 345.487 3.006 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317183263 1384959459 /nfs/dbraw/zinc/95/94/59/1384959459.db2.gz OLTNXWSENLBNMV-CRAIPNDOSA-N 2 2 342.487 3.273 10 0 EGAELP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001317427087 1385132767 /nfs/dbraw/zinc/13/27/67/1385132767.db2.gz JPXNFTBMWYPSPX-HZPDHXFCSA-N 2 2 346.450 3.057 10 0 EGAELP CC[C@@H](F)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 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SYZLECKFXKMCSQ-ACBHZAAOSA-N 2 2 346.519 3.022 10 0 EGAELP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001318454390 1385699279 /nfs/dbraw/zinc/69/92/79/1385699279.db2.gz SYZLECKFXKMCSQ-ACBHZAAOSA-N 2 2 346.519 3.022 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483683 1385715019 /nfs/dbraw/zinc/71/50/19/1385715019.db2.gz GWWHVPJRAQATDC-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483683 1385715023 /nfs/dbraw/zinc/71/50/23/1385715023.db2.gz GWWHVPJRAQATDC-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483683 1385715025 /nfs/dbraw/zinc/71/50/25/1385715025.db2.gz GWWHVPJRAQATDC-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483683 1385715028 /nfs/dbraw/zinc/71/50/28/1385715028.db2.gz GWWHVPJRAQATDC-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](CC[NH2+]CC(C)C)C3)ccn12 ZINC001318803879 1385857423 /nfs/dbraw/zinc/85/74/23/1385857423.db2.gz KKYNOVSRWXKFIM-QGZVFWFLSA-N 2 2 342.487 3.131 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](CC[NH2+]CC(C)C)C3)ccn12 ZINC001318803876 1385857755 /nfs/dbraw/zinc/85/77/55/1385857755.db2.gz KKYNOVSRWXKFIM-KRWDZBQOSA-N 2 2 342.487 3.131 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319478216 1386139867 /nfs/dbraw/zinc/13/98/67/1386139867.db2.gz SGBOVRJHKRNMCM-LQYUOIDQSA-N 2 2 328.460 3.359 10 0 EGAELP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001319763386 1386285506 /nfs/dbraw/zinc/28/55/06/1386285506.db2.gz MSYHGWQEVRXZPV-QGZVFWFLSA-N 2 2 340.471 3.109 10 0 EGAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001319870704 1386348510 /nfs/dbraw/zinc/34/85/10/1386348510.db2.gz UALZUDWAQRCIHX-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C\CC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320000618 1386445352 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1405369205 /nfs/dbraw/zinc/36/92/05/1405369205.db2.gz HJROYNYVJCMTMA-HOTGVXAUSA-N 2 2 334.508 3.094 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001691636589 1405372745 /nfs/dbraw/zinc/37/27/45/1405372745.db2.gz ITEPKDDMQFKDGJ-QGZVFWFLSA-N 2 2 334.508 3.058 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001691667304 1405400748 /nfs/dbraw/zinc/40/07/48/1405400748.db2.gz PIXDODSGMJYDMO-ZTFGCOKTSA-N 2 2 346.519 3.166 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001691667304 1405400751 /nfs/dbraw/zinc/40/07/51/1405400751.db2.gz PIXDODSGMJYDMO-ZTFGCOKTSA-N 2 2 346.519 3.166 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691890081 1405613547 /nfs/dbraw/zinc/61/35/47/1405613547.db2.gz TUZGKNOFBUBTJH-PIXXYMSQSA-N 2 2 340.471 3.407 10 0 EGAELP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691901379 1405624948 /nfs/dbraw/zinc/62/49/48/1405624948.db2.gz XEYKXCFQEBZQOU-YESZJQIVSA-N 2 2 335.467 3.243 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001692198489 1405837459 /nfs/dbraw/zinc/83/74/59/1405837459.db2.gz XXJJBPNMJGOSFY-INIZCTEOSA-N 2 2 346.519 3.167 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001692280100 1405915207 /nfs/dbraw/zinc/91/52/07/1405915207.db2.gz OKHJUPGQHBPHTG-KRWDZBQOSA-N 2 2 348.535 3.448 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001692280100 1405915212 /nfs/dbraw/zinc/91/52/12/1405915212.db2.gz OKHJUPGQHBPHTG-KRWDZBQOSA-N 2 2 348.535 3.448 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692321533 1405940353 /nfs/dbraw/zinc/94/03/53/1405940353.db2.gz CKOQURWGISMNLH-GOSISDBHSA-N 2 2 334.508 3.139 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692321533 1405940356 /nfs/dbraw/zinc/94/03/56/1405940356.db2.gz CKOQURWGISMNLH-GOSISDBHSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001698561899 1406161710 /nfs/dbraw/zinc/16/17/10/1406161710.db2.gz HPDOFDYVHZLZQH-ZWKOTPCHSA-N 2 2 334.508 3.193 10 0 EGAELP CCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001698561899 1406161711 /nfs/dbraw/zinc/16/17/11/1406161711.db2.gz HPDOFDYVHZLZQH-ZWKOTPCHSA-N 2 2 334.508 3.193 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698587330 1406205720 /nfs/dbraw/zinc/20/57/20/1406205720.db2.gz VNQYRCYCHUPFFY-PKOBYXMFSA-N 2 2 346.519 3.337 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698587330 1406205727 /nfs/dbraw/zinc/20/57/27/1406205727.db2.gz VNQYRCYCHUPFFY-PKOBYXMFSA-N 2 2 346.519 3.337 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732050744 1428290385 /nfs/dbraw/zinc/29/03/85/1428290385.db2.gz JKIWYEGEFSOQIY-INIZCTEOSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732050744 1428290388 /nfs/dbraw/zinc/29/03/88/1428290388.db2.gz JKIWYEGEFSOQIY-INIZCTEOSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001732289559 1428515898 /nfs/dbraw/zinc/51/58/98/1428515898.db2.gz YLLWVYAIOLDBIR-GOSISDBHSA-N 2 2 348.535 3.318 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732461788 1428593340 /nfs/dbraw/zinc/59/33/40/1428593340.db2.gz XEFBNGDGMGMXBG-IRXDYDNUSA-N 2 2 348.466 3.125 10 0 EGAELP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732510966 1428630161 /nfs/dbraw/zinc/63/01/61/1428630161.db2.gz NBMQZHCENKSGMX-KRWDZBQOSA-N 2 2 342.487 3.499 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001699163201 1412545894 /nfs/dbraw/zinc/54/58/94/1412545894.db2.gz KAKFDMQNGJYEDK-IAGOWNOFSA-N 2 2 342.487 3.252 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001699743924 1413154670 /nfs/dbraw/zinc/15/46/70/1413154670.db2.gz RQXWRUMQKXNVKK-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@](C)(C[NH2+]CCC(C)C)C3)ccn12 ZINC001699834605 1413263472 /nfs/dbraw/zinc/26/34/72/1413263472.db2.gz CHIVGEKUAPVOFE-FQEVSTJZSA-N 2 2 342.487 3.131 10 0 EGAELP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878353 1413341651 /nfs/dbraw/zinc/34/16/51/1413341651.db2.gz SJXUGCNJGJYOSZ-IEBWSBKVSA-N 2 2 334.508 3.243 10 0 EGAELP CCCCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878353 1413341657 /nfs/dbraw/zinc/34/16/57/1413341657.db2.gz SJXUGCNJGJYOSZ-IEBWSBKVSA-N 2 2 334.508 3.243 10 0 EGAELP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001700222155 1413669925 /nfs/dbraw/zinc/66/99/25/1413669925.db2.gz ISHOZWIGGNXHMJ-FPLPWBNLSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001700316244 1413774852 /nfs/dbraw/zinc/77/48/52/1413774852.db2.gz RSXWWJIVMMFJPQ-HZPDHXFCSA-N 2 2 328.460 3.107 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001700316244 1413774856 /nfs/dbraw/zinc/77/48/56/1413774856.db2.gz RSXWWJIVMMFJPQ-HZPDHXFCSA-N 2 2 328.460 3.107 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360811 1413871856 /nfs/dbraw/zinc/87/18/56/1413871856.db2.gz QRAACVVNVROEBP-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360811 1413871861 /nfs/dbraw/zinc/87/18/61/1413871861.db2.gz QRAACVVNVROEBP-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360811 1413871864 /nfs/dbraw/zinc/87/18/64/1413871864.db2.gz QRAACVVNVROEBP-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360811 1413871872 /nfs/dbraw/zinc/87/18/72/1413871872.db2.gz QRAACVVNVROEBP-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700469753 1414084865 /nfs/dbraw/zinc/08/48/65/1414084865.db2.gz KXJFSPYUSZNCQE-QGZVFWFLSA-N 2 2 342.487 3.359 10 0 EGAELP CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700469753 1414084871 /nfs/dbraw/zinc/08/48/71/1414084871.db2.gz KXJFSPYUSZNCQE-QGZVFWFLSA-N 2 2 342.487 3.359 10 0 EGAELP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700672100 1414328479 /nfs/dbraw/zinc/32/84/79/1414328479.db2.gz WCQSQJMMCUITEE-KRWDZBQOSA-N 2 2 340.471 3.327 10 0 EGAELP CCCC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001700918450 1414570983 /nfs/dbraw/zinc/57/09/83/1414570983.db2.gz JMMWMCLUJSQGOL-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C2)c[nH+]1 ZINC001700920473 1414572554 /nfs/dbraw/zinc/57/25/54/1414572554.db2.gz ALQZAELRCMTUEB-MRXNPFEDSA-N 2 2 348.535 3.189 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001700925603 1414578587 /nfs/dbraw/zinc/57/85/87/1414578587.db2.gz DFYNRIVBGRKHHZ-QGZVFWFLSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC001701013622 1414675468 /nfs/dbraw/zinc/67/54/68/1414675468.db2.gz SCKBIKDALJXEQM-FUHWJXTLSA-N 2 2 334.508 3.095 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001732626713 1428889814 /nfs/dbraw/zinc/88/98/14/1428889814.db2.gz IXAUIRRLRYSYRF-MOPGFXCFSA-N 2 2 346.519 3.118 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001707092235 1417197919 /nfs/dbraw/zinc/19/79/19/1417197919.db2.gz VBZKYPXIPKPRIT-ZBABMDLNSA-N 2 2 346.519 3.145 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001707123071 1417210100 /nfs/dbraw/zinc/21/01/00/1417210100.db2.gz CLYUURKLIXSZEB-QGZVFWFLSA-N 2 2 346.519 3.091 10 0 EGAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCC1=CCCCC1 ZINC001707397316 1417312583 /nfs/dbraw/zinc/31/25/83/1417312583.db2.gz VCRXPSGOUPYMTJ-UHFFFAOYSA-N 2 2 340.471 3.277 10 0 EGAELP C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCC1=CCCCC1 ZINC001707397316 1417312588 /nfs/dbraw/zinc/31/25/88/1417312588.db2.gz VCRXPSGOUPYMTJ-UHFFFAOYSA-N 2 2 340.471 3.277 10 0 EGAELP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001713254076 1417849966 /nfs/dbraw/zinc/84/99/66/1417849966.db2.gz LKGIEEYXOFMWRY-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCCC[C@@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001713254076 1417849970 /nfs/dbraw/zinc/84/99/70/1417849970.db2.gz LKGIEEYXOFMWRY-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254232 1417850774 /nfs/dbraw/zinc/85/07/74/1417850774.db2.gz YYQYBYOMJHLHQZ-MJRGOJFPSA-N 2 2 346.519 3.254 10 0 EGAELP CC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254232 1417850781 /nfs/dbraw/zinc/85/07/81/1417850781.db2.gz YYQYBYOMJHLHQZ-MJRGOJFPSA-N 2 2 346.519 3.254 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254230 1417850838 /nfs/dbraw/zinc/85/08/38/1417850838.db2.gz YYQYBYOMJHLHQZ-HPFMTEOYSA-N 2 2 346.519 3.254 10 0 EGAELP CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254230 1417850843 /nfs/dbraw/zinc/85/08/43/1417850843.db2.gz YYQYBYOMJHLHQZ-HPFMTEOYSA-N 2 2 346.519 3.254 10 0 EGAELP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001713433785 1418062465 /nfs/dbraw/zinc/06/24/65/1418062465.db2.gz HMFMLKSKYXNCTA-INIZCTEOSA-N 2 2 328.460 3.109 10 0 EGAELP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001713433785 1418062472 /nfs/dbraw/zinc/06/24/72/1418062472.db2.gz HMFMLKSKYXNCTA-INIZCTEOSA-N 2 2 328.460 3.109 10 0 EGAELP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001713682093 1418433984 /nfs/dbraw/zinc/43/39/84/1418433984.db2.gz UWCDZXFRRWNMHN-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001733170380 1429272817 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CC(C)c1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001725108417 1425561232 /nfs/dbraw/zinc/56/12/32/1425561232.db2.gz YTZDLCSSDVLHIU-IRXDYDNUSA-N 2 2 342.487 3.080 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001725111825 1425567713 /nfs/dbraw/zinc/56/77/13/1425567713.db2.gz OBRDISJVPJKXMD-JTUDCUDASA-N 2 2 328.460 3.177 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001725111827 1425567972 /nfs/dbraw/zinc/56/79/72/1425567972.db2.gz OBRDISJVPJKXMD-YCZSJOHXSA-N 2 2 328.460 3.177 10 0 EGAELP CN(CC(C)(C)C[NH2+]Cc1ccsc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725146074 1425627766 /nfs/dbraw/zinc/62/77/66/1425627766.db2.gz HSZPPRPTWINFSI-UHFFFAOYSA-N 2 2 348.516 3.023 10 0 EGAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCCC1 ZINC001725496971 1426175382 /nfs/dbraw/zinc/17/53/82/1426175382.db2.gz BPBDIAZAIRPZBK-INIZCTEOSA-N 2 2 342.487 3.355 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001725662148 1426344535 /nfs/dbraw/zinc/34/45/35/1426344535.db2.gz HJIORMWLOBFEFT-QZTJIDSGSA-N 2 2 348.535 3.343 10 0 EGAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CCCCCF)CC1 ZINC001731362906 1427297643 /nfs/dbraw/zinc/29/76/43/1427297643.db2.gz JUCORNGZONNTFQ-UHFFFAOYSA-N 2 2 346.450 3.239 10 0 EGAELP CC(C)C[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001731568903 1427608595 /nfs/dbraw/zinc/60/85/95/1427608595.db2.gz HAHURGLBQWQAOA-ABHNRTSZSA-N 2 2 334.508 3.143 10 0 EGAELP CCOCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001731701546 1427753730 /nfs/dbraw/zinc/75/37/30/1427753730.db2.gz TXCSGGVCXIDYPS-QZTJIDSGSA-N 2 2 347.503 3.064 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@@H]3CCC[N@@H+]3CC3CC3)ccn12 ZINC001731747648 1427840956 /nfs/dbraw/zinc/84/09/56/1427840956.db2.gz PCHWBGRFPXHJHO-GOSISDBHSA-N 2 2 340.471 3.027 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@@H]3CCC[N@H+]3CC3CC3)ccn12 ZINC001731747648 1427840959 /nfs/dbraw/zinc/84/09/59/1427840959.db2.gz PCHWBGRFPXHJHO-GOSISDBHSA-N 2 2 340.471 3.027 10 0 EGAELP CCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001733864490 1437692602 /nfs/dbraw/zinc/69/26/02/1437692602.db2.gz SUYVDJWJPQRKLN-UHFFFAOYSA-N 2 2 334.508 3.088 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001734477645 1438126097 /nfs/dbraw/zinc/12/60/97/1438126097.db2.gz QSULVUOCZXBLDR-KEMBLGFASA-N 2 2 335.879 3.247 10 0 EGAELP CC(C)C[C@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)n1cc[nH+]c1 ZINC001734496802 1438132708 /nfs/dbraw/zinc/13/27/08/1438132708.db2.gz SWVKIYKIZZWPPV-MSOLQXFVSA-N 2 2 346.519 3.097 10 0 EGAELP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001734509574 1438138026 /nfs/dbraw/zinc/13/80/26/1438138026.db2.gz PEHFFXOQZMEAQY-JJEJIETFSA-N 2 2 346.519 3.260 10 0 EGAELP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001734580301 1438172804 /nfs/dbraw/zinc/17/28/04/1438172804.db2.gz RKOSOJDJLJRRIC-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001734580301 1438172805 /nfs/dbraw/zinc/17/28/05/1438172805.db2.gz RKOSOJDJLJRRIC-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513195 168366381 /nfs/dbraw/zinc/36/63/81/168366381.db2.gz BGQPLXLZMWQIEO-UYAOXDASSA-N 2 2 339.483 3.441 10 0 EGAELP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513195 168366383 /nfs/dbraw/zinc/36/63/83/168366383.db2.gz BGQPLXLZMWQIEO-UYAOXDASSA-N 2 2 339.483 3.441 10 0 EGAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(Br)ccc1F ZINC000062803026 214732404 /nfs/dbraw/zinc/73/24/04/214732404.db2.gz TYRRIUZGVLTGIO-GFCCVEGCSA-N 2 2 326.213 3.113 10 0 EGAELP CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070456481 202335342 /nfs/dbraw/zinc/33/53/42/202335342.db2.gz NAVBVOVFZMBPLO-MRXNPFEDSA-N 2 2 326.444 3.269 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200695 201382034 /nfs/dbraw/zinc/38/20/34/201382034.db2.gz CUUOJLKJZZIKQQ-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200695 201382038 /nfs/dbraw/zinc/38/20/38/201382038.db2.gz CUUOJLKJZZIKQQ-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000105896292 204178099 /nfs/dbraw/zinc/17/80/99/204178099.db2.gz IDXBUGZDGJIXLM-RDJZCZTQSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000105896292 204178103 /nfs/dbraw/zinc/17/81/03/204178103.db2.gz IDXBUGZDGJIXLM-RDJZCZTQSA-N 2 2 326.444 3.110 10 0 EGAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000110250158 220027507 /nfs/dbraw/zinc/02/75/07/220027507.db2.gz RDJSGBYQRPCJTC-OAHLLOKOSA-N 2 2 331.508 3.388 10 0 EGAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C(C)(C)C)CC3)[nH+]cn2)C1 ZINC000110250158 220027509 /nfs/dbraw/zinc/02/75/09/220027509.db2.gz RDJSGBYQRPCJTC-OAHLLOKOSA-N 2 2 331.508 3.388 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cnc2n1 ZINC000377405213 169021164 /nfs/dbraw/zinc/02/11/64/169021164.db2.gz UOLVCRIDCZWKPY-XLIONFOSSA-N 2 2 349.482 3.099 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1C ZINC000177007958 207282989 /nfs/dbraw/zinc/28/29/89/207282989.db2.gz ZZWFUVYNCQFHFS-HOCLYGCPSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@H+]1C ZINC000177007958 207282993 /nfs/dbraw/zinc/28/29/93/207282993.db2.gz ZZWFUVYNCQFHFS-HOCLYGCPSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007958 207282997 /nfs/dbraw/zinc/28/29/97/207282997.db2.gz ZZWFUVYNCQFHFS-HOCLYGCPSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007958 207282999 /nfs/dbraw/zinc/28/29/99/207282999.db2.gz ZZWFUVYNCQFHFS-HOCLYGCPSA-N 2 2 335.517 3.375 10 0 EGAELP CC[NH+](CC)CC[C@@H]1CN(C(=O)c2ccc(C)s2)Cc2c[nH+]cn21 ZINC000247857789 257677348 /nfs/dbraw/zinc/67/73/48/257677348.db2.gz YOLFARWYVVNCJH-OAHLLOKOSA-N 2 2 346.500 3.182 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCO1 ZINC000328644545 258023010 /nfs/dbraw/zinc/02/30/10/258023010.db2.gz RUPPMRLOLIPHEA-NSOJWWLLSA-N 2 2 331.382 3.351 10 0 EGAELP CC(C)CCn1cccc1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328636853 258025585 /nfs/dbraw/zinc/02/55/85/258025585.db2.gz OHDRLAZIQJDFGG-LPHOPBHVSA-N 2 2 330.476 3.278 10 0 EGAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccccc1 ZINC000328623926 258034577 /nfs/dbraw/zinc/03/45/77/258034577.db2.gz CDWUOVFZEIPEBY-FHWLQOOXSA-N 2 2 338.455 3.283 10 0 EGAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccccc1 ZINC000328623926 258034579 /nfs/dbraw/zinc/03/45/79/258034579.db2.gz CDWUOVFZEIPEBY-FHWLQOOXSA-N 2 2 338.455 3.283 10 0 EGAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccccc1 ZINC000328623926 258034581 /nfs/dbraw/zinc/03/45/81/258034581.db2.gz CDWUOVFZEIPEBY-FHWLQOOXSA-N 2 2 338.455 3.283 10 0 EGAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccccc1 ZINC000328623926 258034583 /nfs/dbraw/zinc/03/45/83/258034583.db2.gz CDWUOVFZEIPEBY-FHWLQOOXSA-N 2 2 338.455 3.283 10 0 EGAELP C[N@@H+](Cc1nc2ccccc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655987 258018677 /nfs/dbraw/zinc/01/86/77/258018677.db2.gz YXDCANQTZBSJCP-JXFKEZNVSA-N 2 2 336.439 3.348 10 0 EGAELP C[N@H+](Cc1nc2ccccc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655987 258018678 /nfs/dbraw/zinc/01/86/78/258018678.db2.gz YXDCANQTZBSJCP-JXFKEZNVSA-N 2 2 336.439 3.348 10 0 EGAELP C[NH+](Cc1nc2ccccc2o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328655987 258018679 /nfs/dbraw/zinc/01/86/79/258018679.db2.gz YXDCANQTZBSJCP-JXFKEZNVSA-N 2 2 336.439 3.348 10 0 EGAELP C[NH+](Cc1nc2ccccc2o1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328655987 258018680 /nfs/dbraw/zinc/01/86/80/258018680.db2.gz YXDCANQTZBSJCP-JXFKEZNVSA-N 2 2 336.439 3.348 10 0 EGAELP C[C@@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246834567 141037761 /nfs/dbraw/zinc/03/77/61/141037761.db2.gz AISOOMKBOODSLT-NVXWUHKLSA-N 2 2 337.427 3.059 10 0 EGAELP C[C@@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246834567 141037763 /nfs/dbraw/zinc/03/77/63/141037763.db2.gz AISOOMKBOODSLT-NVXWUHKLSA-N 2 2 337.427 3.059 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246859389 141039937 /nfs/dbraw/zinc/03/99/37/141039937.db2.gz LAQLZOSJJYJNLF-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246859389 141039938 /nfs/dbraw/zinc/03/99/38/141039938.db2.gz LAQLZOSJJYJNLF-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246859389 141039939 /nfs/dbraw/zinc/03/99/39/141039939.db2.gz LAQLZOSJJYJNLF-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246859389 141039940 /nfs/dbraw/zinc/03/99/40/141039940.db2.gz LAQLZOSJJYJNLF-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346190208 141177103 /nfs/dbraw/zinc/17/71/03/141177103.db2.gz AVGYIIUATQJWJT-CVEARBPZSA-N 2 2 346.500 3.155 10 0 EGAELP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346190208 141177104 /nfs/dbraw/zinc/17/71/04/141177104.db2.gz AVGYIIUATQJWJT-CVEARBPZSA-N 2 2 346.500 3.155 10 0 EGAELP Fc1ccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000346225165 141184965 /nfs/dbraw/zinc/18/49/65/141184965.db2.gz VZEFFRWEZMUJTJ-UHFFFAOYSA-N 2 2 342.443 3.395 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000192180218 144172218 /nfs/dbraw/zinc/17/22/18/144172218.db2.gz QVVKBFPISMXMFS-OAHLLOKOSA-N 2 2 332.411 3.074 10 0 EGAELP C[C@]1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCCS1 ZINC000344644954 144204065 /nfs/dbraw/zinc/20/40/65/144204065.db2.gz XRVHBTVEMFCFKG-QGZVFWFLSA-N 2 2 326.550 3.144 10 0 EGAELP COc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000120276725 152263388 /nfs/dbraw/zinc/26/33/88/152263388.db2.gz RVCGCEFJFBGIRB-OAQYLSRUSA-N 2 2 349.434 3.454 10 0 EGAELP COc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000120276725 152263390 /nfs/dbraw/zinc/26/33/90/152263390.db2.gz RVCGCEFJFBGIRB-OAQYLSRUSA-N 2 2 349.434 3.454 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121372663 152346009 /nfs/dbraw/zinc/34/60/09/152346009.db2.gz VEBLSCUPXIJENH-MRXNPFEDSA-N 2 2 325.456 3.280 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000192762187 153258891 /nfs/dbraw/zinc/25/88/91/153258891.db2.gz LFCGNBJZIPNQJJ-UONOGXRCSA-N 2 2 337.427 3.397 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000303151301 154038400 /nfs/dbraw/zinc/03/84/00/154038400.db2.gz GCAPWUFOKNAISC-UHFFFAOYSA-N 2 2 325.456 3.025 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481981 154375510 /nfs/dbraw/zinc/37/55/10/154375510.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 3 2 330.520 3.273 10 0 EGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481981 154375513 /nfs/dbraw/zinc/37/55/13/154375513.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481981 154375516 /nfs/dbraw/zinc/37/55/16/154375516.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481981 154375519 /nfs/dbraw/zinc/37/55/19/154375519.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 3 2 330.520 3.273 10 0 EGAELP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126972 156361666 /nfs/dbraw/zinc/36/16/66/156361666.db2.gz HDEKRYMITKFXFD-GOEBONIOSA-N 2 2 331.435 3.236 10 0 EGAELP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126972 156361670 /nfs/dbraw/zinc/36/16/70/156361670.db2.gz HDEKRYMITKFXFD-GOEBONIOSA-N 2 2 331.435 3.236 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)C2 ZINC000372439880 157332438 /nfs/dbraw/zinc/33/24/38/157332438.db2.gz OCBILNJGGBLGSR-OAHLLOKOSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)[C@H](C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[NH+](C)C ZINC000106909737 162063673 /nfs/dbraw/zinc/06/36/73/162063673.db2.gz UNSLANPZKRBWEH-LJQANCHMSA-N 2 2 340.471 3.411 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248607583 163020637 /nfs/dbraw/zinc/02/06/37/163020637.db2.gz WUKJVSDTSAQWGM-MOPGFXCFSA-N 2 2 327.472 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248607583 163020639 /nfs/dbraw/zinc/02/06/39/163020639.db2.gz WUKJVSDTSAQWGM-MOPGFXCFSA-N 2 2 327.472 3.076 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636165 163023682 /nfs/dbraw/zinc/02/36/82/163023682.db2.gz UUBPNCJGFUMZAP-HZPDHXFCSA-N 2 2 328.485 3.121 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636165 163023685 /nfs/dbraw/zinc/02/36/85/163023685.db2.gz UUBPNCJGFUMZAP-HZPDHXFCSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636165 163023688 /nfs/dbraw/zinc/02/36/88/163023688.db2.gz UUBPNCJGFUMZAP-HZPDHXFCSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636165 163023691 /nfs/dbraw/zinc/02/36/91/163023691.db2.gz UUBPNCJGFUMZAP-HZPDHXFCSA-N 2 2 328.485 3.121 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827677 163036859 /nfs/dbraw/zinc/03/68/59/163036859.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 3 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827677 163036861 /nfs/dbraw/zinc/03/68/61/163036861.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827677 163036863 /nfs/dbraw/zinc/03/68/63/163036863.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827677 163036864 /nfs/dbraw/zinc/03/68/64/163036864.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 3 2 326.488 3.343 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000337001694 163101398 /nfs/dbraw/zinc/10/13/98/163101398.db2.gz UZZXNUFFBLMVKF-AWEZNQCLSA-N 2 2 336.443 3.183 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C4CC4)C3)c2cc1C ZINC000344029947 164086451 /nfs/dbraw/zinc/08/64/51/164086451.db2.gz BEFYSXUBICXACE-QZTJIDSGSA-N 2 2 327.472 3.136 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C4CC4)C3)c2cc1C ZINC000344029947 164086454 /nfs/dbraw/zinc/08/64/54/164086454.db2.gz BEFYSXUBICXACE-QZTJIDSGSA-N 2 2 327.472 3.136 10 0 EGAELP COc1ccc(OCC[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346134749 164346379 /nfs/dbraw/zinc/34/63/79/164346379.db2.gz OBLAOCYHORTFND-UHFFFAOYSA-N 2 2 343.452 3.453 10 0 EGAELP COc1ccc(OCC[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346134749 164346380 /nfs/dbraw/zinc/34/63/80/164346380.db2.gz OBLAOCYHORTFND-UHFFFAOYSA-N 2 2 343.452 3.453 10 0 EGAELP Cc1csc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346143539 164348874 /nfs/dbraw/zinc/34/88/74/164348874.db2.gz DHLKVUJOEJTPSU-UHFFFAOYSA-N 2 2 345.497 3.021 10 0 EGAELP C[N@H+](C[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090746 165230221 /nfs/dbraw/zinc/23/02/21/165230221.db2.gz BZPPQQSEYRBZDV-LPHOPBHVSA-N 2 2 338.442 3.003 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090746 165230223 /nfs/dbraw/zinc/23/02/23/165230223.db2.gz BZPPQQSEYRBZDV-LPHOPBHVSA-N 2 2 338.442 3.003 10 0 EGAELP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000359855730 167250571 /nfs/dbraw/zinc/25/05/71/167250571.db2.gz KJUMNMBIZYSWKI-FXAWDEMLSA-N 2 2 339.483 3.481 10 0 EGAELP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000359855730 167250575 /nfs/dbraw/zinc/25/05/75/167250575.db2.gz KJUMNMBIZYSWKI-FXAWDEMLSA-N 2 2 339.483 3.481 10 0 EGAELP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000360697264 167390864 /nfs/dbraw/zinc/39/08/64/167390864.db2.gz HGEXPZKHXRCMKW-OAHLLOKOSA-N 2 2 332.492 3.159 10 0 EGAELP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000360697264 167390867 /nfs/dbraw/zinc/39/08/67/167390867.db2.gz HGEXPZKHXRCMKW-OAHLLOKOSA-N 2 2 332.492 3.159 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000366733002 168133708 /nfs/dbraw/zinc/13/37/08/168133708.db2.gz YZAXHYSDGAJXND-UHFFFAOYSA-N 2 2 342.390 3.316 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2C(=O)OC)C1 ZINC000122829261 222167287 /nfs/dbraw/zinc/16/72/87/222167287.db2.gz WPMNOGOBGCKLGS-MRXNPFEDSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)OC)C1 ZINC000122829261 222167291 /nfs/dbraw/zinc/16/72/91/222167291.db2.gz WPMNOGOBGCKLGS-MRXNPFEDSA-N 2 2 327.428 3.069 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195290792 266172053 /nfs/dbraw/zinc/17/20/53/266172053.db2.gz IXJAYXWRIUNXGD-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195290792 266172057 /nfs/dbraw/zinc/17/20/57/266172057.db2.gz IXJAYXWRIUNXGD-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000195290792 266172059 /nfs/dbraw/zinc/17/20/59/266172059.db2.gz IXJAYXWRIUNXGD-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000195290792 266172061 /nfs/dbraw/zinc/17/20/61/266172061.db2.gz IXJAYXWRIUNXGD-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000284372648 275795502 /nfs/dbraw/zinc/79/55/02/275795502.db2.gz OHJNGLOAHSNUSB-AXUOBQJMSA-N 2 2 334.529 3.214 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287477524 276123241 /nfs/dbraw/zinc/12/32/41/276123241.db2.gz SCKKQUOCBIOLEP-MRXNPFEDSA-N 2 2 329.448 3.459 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287477524 276123242 /nfs/dbraw/zinc/12/32/42/276123242.db2.gz SCKKQUOCBIOLEP-MRXNPFEDSA-N 2 2 329.448 3.459 10 0 EGAELP c1cncc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000289544043 276355838 /nfs/dbraw/zinc/35/58/38/276355838.db2.gz TYKXXWHJNMGBTH-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP c1cncc(C[NH+]2CCCC3(CCC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000289544043 276355840 /nfs/dbraw/zinc/35/58/40/276355840.db2.gz TYKXXWHJNMGBTH-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000345866226 279092603 /nfs/dbraw/zinc/09/26/03/279092603.db2.gz UMYMJXFZUKOZAA-MRXNPFEDSA-N 2 2 348.539 3.293 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109756066 290232925 /nfs/dbraw/zinc/23/29/25/290232925.db2.gz CMRJRPRKFBFAFZ-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109756066 290232930 /nfs/dbraw/zinc/23/29/30/290232930.db2.gz CMRJRPRKFBFAFZ-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262130480 295232852 /nfs/dbraw/zinc/23/28/52/295232852.db2.gz YCPFBKFJVDYJIM-UHFFFAOYSA-N 2 2 338.430 3.219 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262130480 295232854 /nfs/dbraw/zinc/23/28/54/295232854.db2.gz YCPFBKFJVDYJIM-UHFFFAOYSA-N 2 2 338.430 3.219 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000248653333 308008665 /nfs/dbraw/zinc/00/86/65/308008665.db2.gz OQKOJVXTJVJMFD-HZPDHXFCSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000248653333 308008666 /nfs/dbraw/zinc/00/86/66/308008666.db2.gz OQKOJVXTJVJMFD-HZPDHXFCSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000248653333 308008667 /nfs/dbraw/zinc/00/86/67/308008667.db2.gz OQKOJVXTJVJMFD-HZPDHXFCSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000248653333 308008668 /nfs/dbraw/zinc/00/86/68/308008668.db2.gz OQKOJVXTJVJMFD-HZPDHXFCSA-N 2 2 330.501 3.361 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414834363 309104727 /nfs/dbraw/zinc/10/47/27/309104727.db2.gz QQHYMBZBRFIJGA-OAHLLOKOSA-N 2 2 335.245 3.247 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1C ZINC000414838301 309104765 /nfs/dbraw/zinc/10/47/65/309104765.db2.gz VIUHLCLLTPNZPL-MAUKXSAKSA-N 2 2 325.456 3.310 10 0 EGAELP CCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000414838304 309104900 /nfs/dbraw/zinc/10/49/00/309104900.db2.gz VJINJLHFVHTWMQ-HNNXBMFYSA-N 2 2 336.382 3.476 10 0 EGAELP C[NH+](C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000348859047 308884104 /nfs/dbraw/zinc/88/41/04/308884104.db2.gz OFFXXIYNNLJZKW-INIZCTEOSA-N 2 2 346.862 3.072 10 0 EGAELP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Cl)c1OC ZINC000414887951 309107427 /nfs/dbraw/zinc/10/74/27/309107427.db2.gz XJZNEIMIIZBAQE-UHFFFAOYSA-N 2 2 349.862 3.022 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414942154 309110269 /nfs/dbraw/zinc/11/02/69/309110269.db2.gz ZKYQWFBIZJMQFU-GWCFXTLKSA-N 2 2 329.307 3.259 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040030 309115986 /nfs/dbraw/zinc/11/59/86/309115986.db2.gz JOZFACAOUDAMRQ-WBMJQRKESA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040030 309115987 /nfs/dbraw/zinc/11/59/87/309115987.db2.gz JOZFACAOUDAMRQ-WBMJQRKESA-N 2 2 339.277 3.119 10 0 EGAELP C[C@@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@]1(C)C[NH3+] ZINC000415049918 309116650 /nfs/dbraw/zinc/11/66/50/309116650.db2.gz BWNVNWNJARYZBG-BDJLRTHQSA-N 2 2 340.393 3.009 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@]1(C)C[NH3+] ZINC000415049918 309116651 /nfs/dbraw/zinc/11/66/51/309116651.db2.gz BWNVNWNJARYZBG-BDJLRTHQSA-N 2 2 340.393 3.009 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000415063223 309117788 /nfs/dbraw/zinc/11/77/88/309117788.db2.gz HFRIFJWIWYXFIX-DNVCBOLYSA-N 2 2 342.483 3.487 10 0 EGAELP CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000419298327 309263513 /nfs/dbraw/zinc/26/35/13/309263513.db2.gz GCTOHIYAPIDBJC-LJQANCHMSA-N 2 2 336.439 3.034 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420368030 309284447 /nfs/dbraw/zinc/28/44/47/309284447.db2.gz KGPPZZRQNUTGAA-HXUWFJFHSA-N 2 2 342.439 3.185 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420368030 309284448 /nfs/dbraw/zinc/28/44/48/309284448.db2.gz KGPPZZRQNUTGAA-HXUWFJFHSA-N 2 2 342.439 3.185 10 0 EGAELP CC[N@H+](Cc1nn(C)c(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000421352610 309319690 /nfs/dbraw/zinc/31/96/90/309319690.db2.gz DJBAQFJYHPIHJD-UHFFFAOYSA-N 2 2 334.895 3.466 10 0 EGAELP CC[N@@H+](Cc1nn(C)c(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000421352610 309319691 /nfs/dbraw/zinc/31/96/91/309319691.db2.gz DJBAQFJYHPIHJD-UHFFFAOYSA-N 2 2 334.895 3.466 10 0 EGAELP COc1ccc(CC[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422731572 309365669 /nfs/dbraw/zinc/36/56/69/309365669.db2.gz NPVNNTXQMBKAFD-NHCUHLMSSA-N 2 2 340.467 3.329 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2sc(C)nc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888353 309374225 /nfs/dbraw/zinc/37/42/25/309374225.db2.gz MWWGFDKCRSBSCS-PKOBYXMFSA-N 2 2 345.512 3.394 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2nccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422914220 309376131 /nfs/dbraw/zinc/37/61/31/309376131.db2.gz SFSVHGDPODSSNH-FUHWJXTLSA-N 2 2 331.485 3.167 10 0 EGAELP COC[C@@H](CCC[NH3+])Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000422924685 309376406 /nfs/dbraw/zinc/37/64/06/309376406.db2.gz UPDGQYRPFNSLNP-GOSISDBHSA-N 2 2 338.455 3.476 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422974196 309379156 /nfs/dbraw/zinc/37/91/56/309379156.db2.gz DKOQTEHSWSLKHI-RVHYNSKXSA-N 2 2 340.467 3.415 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998598 309380175 /nfs/dbraw/zinc/38/01/75/309380175.db2.gz QWSNOTKIXROILP-PMACEKPBSA-N 2 2 325.456 3.106 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2nccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423032307 309382043 /nfs/dbraw/zinc/38/20/43/309382043.db2.gz FGAUAVWOIJHIMC-JQFCIGGWSA-N 2 2 331.485 3.338 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2cccc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423110501 309386582 /nfs/dbraw/zinc/38/65/82/309386582.db2.gz UWGFZNWUFTVRRK-LEWJYISDSA-N 2 2 339.483 3.414 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423122838 309387117 /nfs/dbraw/zinc/38/71/17/309387117.db2.gz LFOARCAUTWJIES-BSIFCXSSSA-N 2 2 338.451 3.254 10 0 EGAELP COCC1(CC[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000423140117 309387912 /nfs/dbraw/zinc/38/79/12/309387912.db2.gz XJLFOJCBYGZYFV-RTBURBONSA-N 2 2 332.488 3.285 10 0 EGAELP CSc1ccc([C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423148527 309388262 /nfs/dbraw/zinc/38/82/62/309388262.db2.gz VTRUICSJRBMZEE-FZKQIMNGSA-N 2 2 330.501 3.170 10 0 EGAELP CSc1ccc([C@@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423148527 309388263 /nfs/dbraw/zinc/38/82/63/309388263.db2.gz VTRUICSJRBMZEE-FZKQIMNGSA-N 2 2 330.501 3.170 10 0 EGAELP Clc1cccc(CC2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000423170383 309389079 /nfs/dbraw/zinc/38/90/79/309389079.db2.gz LTVLRIBDKADJHK-QZTJIDSGSA-N 2 2 334.891 3.019 10 0 EGAELP COCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423167568 309389100 /nfs/dbraw/zinc/38/91/00/309389100.db2.gz SJPZBAULXCLXAN-OALUTQOASA-N 2 2 332.488 3.285 10 0 EGAELP Fc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423229155 309391460 /nfs/dbraw/zinc/39/14/60/309391460.db2.gz GNCKSYMFSWDQPS-IBGZPJMESA-N 2 2 326.419 3.194 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423232717 309391709 /nfs/dbraw/zinc/39/17/09/309391709.db2.gz CQZBUCMUCKXXDA-XOBRGWDASA-N 3 2 326.488 3.323 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000449099944 310036969 /nfs/dbraw/zinc/03/69/69/310036969.db2.gz PKWBSRSZLSAORC-HNNXBMFYSA-N 2 2 348.441 3.463 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000449257545 310048081 /nfs/dbraw/zinc/04/80/81/310048081.db2.gz IZBPVEQUNUIYPS-KRWDZBQOSA-N 3 2 332.536 3.467 10 0 EGAELP CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449379921 310057730 /nfs/dbraw/zinc/05/77/30/310057730.db2.gz KTSMUADQDFFIAV-NSHDSACASA-N 2 2 333.379 3.381 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393111 310058416 /nfs/dbraw/zinc/05/84/16/310058416.db2.gz AYPFIDZYNDLQHS-GDBMZVCRSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393111 310058417 /nfs/dbraw/zinc/05/84/17/310058417.db2.gz AYPFIDZYNDLQHS-GDBMZVCRSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392874 310058452 /nfs/dbraw/zinc/05/84/52/310058452.db2.gz LJEGMLVOTNHJJR-ZIAGYGMSSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392874 310058453 /nfs/dbraw/zinc/05/84/53/310058453.db2.gz LJEGMLVOTNHJJR-ZIAGYGMSSA-N 2 2 330.394 3.203 10 0 EGAELP CC[C@@H](CC(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449963566 310096271 /nfs/dbraw/zinc/09/62/71/310096271.db2.gz ARKMWVRPEZWOJG-SFHVURJKSA-N 2 2 337.552 3.125 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561317 310130189 /nfs/dbraw/zinc/13/01/89/310130189.db2.gz HCICJNDNRWZBEG-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561317 310130190 /nfs/dbraw/zinc/13/01/90/310130190.db2.gz HCICJNDNRWZBEG-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561317 310130191 /nfs/dbraw/zinc/13/01/91/310130191.db2.gz HCICJNDNRWZBEG-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561317 310130192 /nfs/dbraw/zinc/13/01/92/310130192.db2.gz HCICJNDNRWZBEG-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000453311684 310270467 /nfs/dbraw/zinc/27/04/67/310270467.db2.gz BBPVHAGPOUKXJR-UKAVVXHISA-N 2 2 345.531 3.333 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000453311684 310270468 /nfs/dbraw/zinc/27/04/68/310270468.db2.gz BBPVHAGPOUKXJR-UKAVVXHISA-N 2 2 345.531 3.333 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058162 311162456 /nfs/dbraw/zinc/16/24/56/311162456.db2.gz NVTPRIFREAJBQG-IPMKNSEASA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058162 311162457 /nfs/dbraw/zinc/16/24/57/311162457.db2.gz NVTPRIFREAJBQG-IPMKNSEASA-N 2 2 337.552 3.268 10 0 EGAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064704 311163061 /nfs/dbraw/zinc/16/30/61/311163061.db2.gz ZCWDQVXZLVEKGQ-HSALFYBXSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064704 311163062 /nfs/dbraw/zinc/16/30/62/311163062.db2.gz ZCWDQVXZLVEKGQ-HSALFYBXSA-N 2 2 349.563 3.269 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727629 312101420 /nfs/dbraw/zinc/10/14/20/312101420.db2.gz SXTZXEDMJZUYLQ-JXFKEZNVSA-N 2 2 327.472 3.428 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727629 312101422 /nfs/dbraw/zinc/10/14/22/312101422.db2.gz SXTZXEDMJZUYLQ-JXFKEZNVSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727629 312101423 /nfs/dbraw/zinc/10/14/23/312101423.db2.gz SXTZXEDMJZUYLQ-JXFKEZNVSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727629 312101425 /nfs/dbraw/zinc/10/14/25/312101425.db2.gz SXTZXEDMJZUYLQ-JXFKEZNVSA-N 2 2 327.472 3.428 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH+]3C[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000509328205 312113923 /nfs/dbraw/zinc/11/39/23/312113923.db2.gz QBWVEZAUTNMQLF-PMACEKPBSA-N 2 2 327.516 3.321 10 0 EGAELP COc1ccc(F)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000513347825 312207622 /nfs/dbraw/zinc/20/76/22/312207622.db2.gz NSWDXQVXCWBHKH-KDURUIRLSA-N 2 2 340.442 3.398 10 0 EGAELP COc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000513347825 312207625 /nfs/dbraw/zinc/20/76/25/312207625.db2.gz NSWDXQVXCWBHKH-KDURUIRLSA-N 2 2 340.442 3.398 10 0 EGAELP COc1ccc(F)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000513347825 312207628 /nfs/dbraw/zinc/20/76/28/312207628.db2.gz NSWDXQVXCWBHKH-KDURUIRLSA-N 2 2 340.442 3.398 10 0 EGAELP COc1ccc(F)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000513347825 312207631 /nfs/dbraw/zinc/20/76/31/312207631.db2.gz NSWDXQVXCWBHKH-KDURUIRLSA-N 2 2 340.442 3.398 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCCOc2ccccc2)CC1 ZINC000528729395 313157488 /nfs/dbraw/zinc/15/74/88/313157488.db2.gz SLSAWPWFUDJWHU-UHFFFAOYSA-N 2 2 332.488 3.032 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1OC ZINC000529532805 313346144 /nfs/dbraw/zinc/34/61/44/313346144.db2.gz YMHICDYATDDRJX-OAHLLOKOSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1OC ZINC000529532805 313346148 /nfs/dbraw/zinc/34/61/48/313346148.db2.gz YMHICDYATDDRJX-OAHLLOKOSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(F)cc1OC ZINC000529589033 313362911 /nfs/dbraw/zinc/36/29/11/313362911.db2.gz MYIVTTFPKRMJTN-LJQANCHMSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(F)cc1OC ZINC000529589033 313362914 /nfs/dbraw/zinc/36/29/14/313362914.db2.gz MYIVTTFPKRMJTN-LJQANCHMSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1OC ZINC000529589033 313362916 /nfs/dbraw/zinc/36/29/16/313362916.db2.gz MYIVTTFPKRMJTN-LJQANCHMSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(F)cc1OC ZINC000529589033 313362919 /nfs/dbraw/zinc/36/29/19/313362919.db2.gz MYIVTTFPKRMJTN-LJQANCHMSA-N 2 2 336.451 3.151 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912254 314154135 /nfs/dbraw/zinc/15/41/35/314154135.db2.gz ZJEUENOREIKAPG-NFAWXSAZSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912254 314154136 /nfs/dbraw/zinc/15/41/36/314154136.db2.gz ZJEUENOREIKAPG-NFAWXSAZSA-N 2 2 330.394 3.403 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H](C)C1 ZINC000537456033 314182985 /nfs/dbraw/zinc/18/29/85/314182985.db2.gz GIEGAHACDWKDBU-MJGOQNOKSA-N 2 2 346.519 3.231 10 0 EGAELP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H](C)C1 ZINC000537456033 314182987 /nfs/dbraw/zinc/18/29/87/314182987.db2.gz GIEGAHACDWKDBU-MJGOQNOKSA-N 2 2 346.519 3.231 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000540156136 314366141 /nfs/dbraw/zinc/36/61/41/314366141.db2.gz DTBANYDXQGGKKW-FIXISWKDSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000540156136 314366145 /nfs/dbraw/zinc/36/61/45/314366145.db2.gz DTBANYDXQGGKKW-FIXISWKDSA-N 2 2 329.257 3.059 10 0 EGAELP c1[nH+]c2n(c1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CCCC2 ZINC000551571638 315159321 /nfs/dbraw/zinc/15/93/21/315159321.db2.gz OJWNIUDLKWDUMG-APWZRJJASA-N 2 2 325.456 3.477 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000564554343 316166426 /nfs/dbraw/zinc/16/64/26/316166426.db2.gz CHGBYEWAXVEWMJ-UHFFFAOYSA-N 2 2 341.455 3.465 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](C)C2C[NH2+]C2)on1 ZINC000571752985 317242175 /nfs/dbraw/zinc/24/21/75/317242175.db2.gz GFMVZOGYRXNBQP-CYBMUJFWSA-N 2 2 337.423 3.201 10 0 EGAELP Cc1nsc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000579802894 325160189 /nfs/dbraw/zinc/16/01/89/325160189.db2.gz ZAYFDLZKTMGMOZ-UHFFFAOYSA-N 2 2 345.516 3.304 10 0 EGAELP Cc1nn2c(C[NH2+]CC3([NH3+])CCCCCC3)c(C(C)C)nc2s1 ZINC000580049244 325195823 /nfs/dbraw/zinc/19/58/23/325195823.db2.gz OXAKQEPAAPHPDQ-UHFFFAOYSA-N 2 2 335.521 3.364 10 0 EGAELP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000580223174 325221199 /nfs/dbraw/zinc/22/11/99/325221199.db2.gz AWNTYCYHUOYMAV-SFTDATJTSA-N 2 2 340.467 3.499 10 0 EGAELP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000580223174 325221202 /nfs/dbraw/zinc/22/12/02/325221202.db2.gz AWNTYCYHUOYMAV-SFTDATJTSA-N 2 2 340.467 3.499 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1sccc1Br ZINC000580803132 325296523 /nfs/dbraw/zinc/29/65/23/325296523.db2.gz BBFVYAUFYOMKNE-DTWKUNHWSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1sccc1Br ZINC000580803132 325296525 /nfs/dbraw/zinc/29/65/25/325296525.db2.gz BBFVYAUFYOMKNE-DTWKUNHWSA-N 2 2 326.263 3.442 10 0 EGAELP [NH3+]Cc1ccc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000581129901 325333299 /nfs/dbraw/zinc/33/32/99/325333299.db2.gz COZJVOSPMIQHMT-UHFFFAOYSA-N 2 2 348.450 3.117 10 0 EGAELP Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000581693946 325382712 /nfs/dbraw/zinc/38/27/12/325382712.db2.gz WHADEYWSVFJXBY-HNNXBMFYSA-N 2 2 329.429 3.352 10 0 EGAELP Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000581693946 325382713 /nfs/dbraw/zinc/38/27/13/325382713.db2.gz WHADEYWSVFJXBY-HNNXBMFYSA-N 2 2 329.429 3.352 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000173315254 455264762 /nfs/dbraw/zinc/26/47/62/455264762.db2.gz WKGGYYKXUTUIAL-AWEZNQCLSA-N 2 2 338.411 3.135 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440428 460551273 /nfs/dbraw/zinc/55/12/73/460551273.db2.gz VOIHYSBMAQDRJQ-YZGWKJHDSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440428 460551282 /nfs/dbraw/zinc/55/12/82/460551282.db2.gz VOIHYSBMAQDRJQ-YZGWKJHDSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440428 460551286 /nfs/dbraw/zinc/55/12/86/460551286.db2.gz VOIHYSBMAQDRJQ-YZGWKJHDSA-N 3 2 329.532 3.359 10 0 EGAELP CCCc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000183672732 455318388 /nfs/dbraw/zinc/31/83/88/455318388.db2.gz ZNWJMXIEMFQKHM-CYBMUJFWSA-N 2 2 325.416 3.367 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000190445741 455318839 /nfs/dbraw/zinc/31/88/39/455318839.db2.gz CVBGBMVGQYTECO-HNNXBMFYSA-N 2 2 345.516 3.323 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000190445741 455318844 /nfs/dbraw/zinc/31/88/44/455318844.db2.gz CVBGBMVGQYTECO-HNNXBMFYSA-N 2 2 345.516 3.323 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000245687250 455355672 /nfs/dbraw/zinc/35/56/72/455355672.db2.gz AJYFKGFAOGONCL-RDJZCZTQSA-N 2 2 329.444 3.374 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000245687250 455355677 /nfs/dbraw/zinc/35/56/77/455355677.db2.gz AJYFKGFAOGONCL-RDJZCZTQSA-N 2 2 329.444 3.374 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515584 460591848 /nfs/dbraw/zinc/59/18/48/460591848.db2.gz HHKLGJIBLPNAIN-RTBURBONSA-N 2 2 339.483 3.052 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515584 460591853 /nfs/dbraw/zinc/59/18/53/460591853.db2.gz HHKLGJIBLPNAIN-RTBURBONSA-N 2 2 339.483 3.052 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(F)c(F)c3N(C)C)cn21 ZINC000623558719 460610864 /nfs/dbraw/zinc/61/08/64/460610864.db2.gz GUTJDXZCXNPTFG-UHFFFAOYSA-N 2 2 344.409 3.319 10 0 EGAELP COCC[N@H+](C)CCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC000058153294 454165956 /nfs/dbraw/zinc/16/59/56/454165956.db2.gz ZRDNMCXNCCCGQK-UHFFFAOYSA-N 2 2 335.879 3.255 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC000058153294 454165960 /nfs/dbraw/zinc/16/59/60/454165960.db2.gz ZRDNMCXNCCCGQK-UHFFFAOYSA-N 2 2 335.879 3.255 10 0 EGAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(Br)c1 ZINC000070143060 454167280 /nfs/dbraw/zinc/16/72/80/454167280.db2.gz SNKMOPBYAGUSEN-NSHDSACASA-N 2 2 337.265 3.099 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119693092 454212713 /nfs/dbraw/zinc/21/27/13/454212713.db2.gz WHKPXWKOFLQUAP-ICSRJNTNSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119693092 454212716 /nfs/dbraw/zinc/21/27/16/454212716.db2.gz WHKPXWKOFLQUAP-ICSRJNTNSA-N 2 2 338.499 3.442 10 0 EGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131382404 454249459 /nfs/dbraw/zinc/24/94/59/454249459.db2.gz OHDKTRCGWAVLRZ-OFLPRAFFSA-N 2 2 326.525 3.453 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858877 454353023 /nfs/dbraw/zinc/35/30/23/454353023.db2.gz PKDCSQPIPNWHSE-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858877 454353027 /nfs/dbraw/zinc/35/30/27/454353027.db2.gz PKDCSQPIPNWHSE-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858877 454353031 /nfs/dbraw/zinc/35/30/31/454353031.db2.gz PKDCSQPIPNWHSE-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858877 454353036 /nfs/dbraw/zinc/35/30/36/454353036.db2.gz PKDCSQPIPNWHSE-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(n4cc[nH+]c4)CC3)C2)cc1 ZINC000121205271 454405964 /nfs/dbraw/zinc/40/59/64/454405964.db2.gz BOGPPVMOYYXLSN-QGZVFWFLSA-N 2 2 344.846 3.367 10 0 EGAELP C/C(=C\c1ccccc1)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121219132 454406740 /nfs/dbraw/zinc/40/67/40/454406740.db2.gz LDJCFHASCJDVBK-HTXNQAPBSA-N 2 2 338.499 3.383 10 0 EGAELP C/C(=C\c1ccccc1)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121219132 454406742 /nfs/dbraw/zinc/40/67/42/454406742.db2.gz LDJCFHASCJDVBK-HTXNQAPBSA-N 2 2 338.499 3.383 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000133590339 454443882 /nfs/dbraw/zinc/44/38/82/454443882.db2.gz ZDWMDPMHIIKNPC-UHFFFAOYSA-N 2 2 342.487 3.116 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000133590339 454443886 /nfs/dbraw/zinc/44/38/86/454443886.db2.gz ZDWMDPMHIIKNPC-UHFFFAOYSA-N 2 2 342.487 3.116 10 0 EGAELP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091960463 454496069 /nfs/dbraw/zinc/49/60/69/454496069.db2.gz ACEWDKQPNLWRDV-KSSFIOAISA-N 2 2 339.418 3.495 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091960463 454496073 /nfs/dbraw/zinc/49/60/73/454496073.db2.gz ACEWDKQPNLWRDV-KSSFIOAISA-N 2 2 339.418 3.495 10 0 EGAELP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]c1 ZINC000092812604 454638058 /nfs/dbraw/zinc/63/80/58/454638058.db2.gz LNJIFOLHSLVHPW-SFHVURJKSA-N 2 2 337.471 3.011 10 0 EGAELP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]c1 ZINC000092812604 454638060 /nfs/dbraw/zinc/63/80/60/454638060.db2.gz LNJIFOLHSLVHPW-SFHVURJKSA-N 2 2 337.471 3.011 10 0 EGAELP CCN(C(=O)[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000051925646 454642691 /nfs/dbraw/zinc/64/26/91/454642691.db2.gz RLRYGJOLQZLGPU-KRWDZBQOSA-N 2 2 335.536 3.116 10 0 EGAELP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875496 454662371 /nfs/dbraw/zinc/66/23/71/454662371.db2.gz HYPHCVVGSGCKAK-MRXNPFEDSA-N 2 2 340.471 3.010 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000105896567 454667111 /nfs/dbraw/zinc/66/71/11/454667111.db2.gz JKVISLGMYSGPMX-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000105896567 454667119 /nfs/dbraw/zinc/66/71/19/454667119.db2.gz JKVISLGMYSGPMX-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123801571 454676592 /nfs/dbraw/zinc/67/65/92/454676592.db2.gz MFYGQVXGZGAFOW-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000123801571 454676598 /nfs/dbraw/zinc/67/65/98/454676598.db2.gz MFYGQVXGZGAFOW-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801571 454676600 /nfs/dbraw/zinc/67/66/00/454676600.db2.gz MFYGQVXGZGAFOW-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801571 454676605 /nfs/dbraw/zinc/67/66/05/454676605.db2.gz MFYGQVXGZGAFOW-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095387 454684868 /nfs/dbraw/zinc/68/48/68/454684868.db2.gz NCMLIWAIOZLXLG-KDOFPFPSSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095387 454684871 /nfs/dbraw/zinc/68/48/71/454684871.db2.gz NCMLIWAIOZLXLG-KDOFPFPSSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095387 454684876 /nfs/dbraw/zinc/68/48/76/454684876.db2.gz NCMLIWAIOZLXLG-KDOFPFPSSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095387 454684879 /nfs/dbraw/zinc/68/48/79/454684879.db2.gz NCMLIWAIOZLXLG-KDOFPFPSSA-N 2 2 327.472 3.321 10 0 EGAELP Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1F ZINC000163048497 454819137 /nfs/dbraw/zinc/81/91/37/454819137.db2.gz ASFCCJVBIBRTLI-UHFFFAOYSA-N 2 2 334.358 3.270 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000163301200 454837096 /nfs/dbraw/zinc/83/70/96/454837096.db2.gz LKAZBLJHEVYCHK-UKRRQHHQSA-N 2 2 325.522 3.336 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000163301200 454837100 /nfs/dbraw/zinc/83/71/00/454837100.db2.gz LKAZBLJHEVYCHK-UKRRQHHQSA-N 2 2 325.522 3.336 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409153 454845858 /nfs/dbraw/zinc/84/58/58/454845858.db2.gz FHIPRSZMJVMUCH-HOCLYGCPSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409153 454845861 /nfs/dbraw/zinc/84/58/61/454845861.db2.gz FHIPRSZMJVMUCH-HOCLYGCPSA-N 2 2 342.430 3.440 10 0 EGAELP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1NC(C)=O ZINC000163842432 454866579 /nfs/dbraw/zinc/86/65/79/454866579.db2.gz VGKVPAJXAHCZGJ-AWEZNQCLSA-N 2 2 342.443 3.201 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000151266836 454961533 /nfs/dbraw/zinc/96/15/33/454961533.db2.gz YGIZVJOLQVGCIS-VXGBXAGGSA-N 2 2 347.322 3.008 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000179656356 455064641 /nfs/dbraw/zinc/06/46/41/455064641.db2.gz BPXATKAACMENMZ-QZTJIDSGSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000179656356 455064645 /nfs/dbraw/zinc/06/46/45/455064645.db2.gz BPXATKAACMENMZ-QZTJIDSGSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000179656356 455064647 /nfs/dbraw/zinc/06/46/47/455064647.db2.gz BPXATKAACMENMZ-QZTJIDSGSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000179656356 455064650 /nfs/dbraw/zinc/06/46/50/455064650.db2.gz BPXATKAACMENMZ-QZTJIDSGSA-N 2 2 326.488 3.421 10 0 EGAELP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000179670122 455066313 /nfs/dbraw/zinc/06/63/13/455066313.db2.gz TWZVKTJPXDCCFY-UHFFFAOYSA-N 2 2 330.501 3.209 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000171613514 455081386 /nfs/dbraw/zinc/08/13/86/455081386.db2.gz BPEDDXDQPUCSKY-ZDUSSCGKSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000171613514 455081390 /nfs/dbraw/zinc/08/13/90/455081390.db2.gz BPEDDXDQPUCSKY-ZDUSSCGKSA-N 2 2 343.456 3.394 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@@H](C)C1 ZINC000245422698 455293675 /nfs/dbraw/zinc/29/36/75/455293675.db2.gz JBBCIJYUOUROFI-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@@H](C)C1 ZINC000245422698 455293679 /nfs/dbraw/zinc/29/36/79/455293679.db2.gz JBBCIJYUOUROFI-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(-c3ccccn3)n2)[C@@H](C)C1 ZINC000245422698 455293684 /nfs/dbraw/zinc/29/36/84/455293684.db2.gz JBBCIJYUOUROFI-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(-c3ccccn3)n2)[C@@H](C)C1 ZINC000245422698 455293686 /nfs/dbraw/zinc/29/36/86/455293686.db2.gz JBBCIJYUOUROFI-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+](C)[C@@H](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000181281468 455312696 /nfs/dbraw/zinc/31/26/96/455312696.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+](C)[C@@H](C)C3)CC[N@H+]2C2CC2)c1 ZINC000181281468 455312700 /nfs/dbraw/zinc/31/27/00/455312700.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281468 455312702 /nfs/dbraw/zinc/31/27/02/455312702.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281468 455312703 /nfs/dbraw/zinc/31/27/03/455312703.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281468 455312707 /nfs/dbraw/zinc/31/27/07/455312707.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281468 455312710 /nfs/dbraw/zinc/31/27/10/455312710.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 2 2 343.515 3.045 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000190466596 455324522 /nfs/dbraw/zinc/32/45/22/455324522.db2.gz RTSSRUUSLDVUJF-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000190466596 455324529 /nfs/dbraw/zinc/32/45/29/455324529.db2.gz RTSSRUUSLDVUJF-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C(C)C)c2)C1 ZINC000190466596 455324533 /nfs/dbraw/zinc/32/45/33/455324533.db2.gz RTSSRUUSLDVUJF-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C(C)C)c2)C1 ZINC000190466596 455324536 /nfs/dbraw/zinc/32/45/36/455324536.db2.gz RTSSRUUSLDVUJF-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473988 455326692 /nfs/dbraw/zinc/32/66/92/455326692.db2.gz HWXPVHMLFLSPMI-LJQANCHMSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473988 455326697 /nfs/dbraw/zinc/32/66/97/455326697.db2.gz HWXPVHMLFLSPMI-LJQANCHMSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190473988 455326700 /nfs/dbraw/zinc/32/67/00/455326700.db2.gz HWXPVHMLFLSPMI-LJQANCHMSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190473988 455326707 /nfs/dbraw/zinc/32/67/07/455326707.db2.gz HWXPVHMLFLSPMI-LJQANCHMSA-N 2 2 339.483 3.434 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245743675 455370039 /nfs/dbraw/zinc/37/00/39/455370039.db2.gz MJIMMHLATHWCLV-HNAYVOBHSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245743675 455370043 /nfs/dbraw/zinc/37/00/43/455370043.db2.gz MJIMMHLATHWCLV-HNAYVOBHSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245743675 455370047 /nfs/dbraw/zinc/37/00/47/455370047.db2.gz MJIMMHLATHWCLV-HNAYVOBHSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245743675 455370051 /nfs/dbraw/zinc/37/00/51/455370051.db2.gz MJIMMHLATHWCLV-HNAYVOBHSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1cn2cc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)ccc2[nH+]1 ZINC000265737361 455371186 /nfs/dbraw/zinc/37/11/86/455371186.db2.gz URSZHSGSPKJBAH-UHFFFAOYSA-N 2 2 329.448 3.027 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000246192792 455445872 /nfs/dbraw/zinc/44/58/72/455445872.db2.gz SEXLBXVGHXSZEG-ZDUSSCGKSA-N 2 2 332.245 3.282 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000246192792 455445875 /nfs/dbraw/zinc/44/58/75/455445875.db2.gz SEXLBXVGHXSZEG-ZDUSSCGKSA-N 2 2 332.245 3.282 10 0 EGAELP COCc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000267227289 455519685 /nfs/dbraw/zinc/51/96/85/455519685.db2.gz FBHLZQNOZQZQDS-YJBOKZPZSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000267227289 455519688 /nfs/dbraw/zinc/51/96/88/455519688.db2.gz FBHLZQNOZQZQDS-YJBOKZPZSA-N 2 2 345.512 3.290 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247040970 455550028 /nfs/dbraw/zinc/55/00/28/455550028.db2.gz KVQUITDWGJTPSF-NLWGTHIKSA-N 2 2 343.515 3.203 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247040970 455550030 /nfs/dbraw/zinc/55/00/30/455550030.db2.gz KVQUITDWGJTPSF-NLWGTHIKSA-N 2 2 343.515 3.203 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000192059960 455550444 /nfs/dbraw/zinc/55/04/44/455550444.db2.gz XGRUDROORCEUPO-QGZVFWFLSA-N 2 2 341.455 3.344 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000192059960 455550447 /nfs/dbraw/zinc/55/04/47/455550447.db2.gz XGRUDROORCEUPO-QGZVFWFLSA-N 2 2 341.455 3.344 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247618269 455630276 /nfs/dbraw/zinc/63/02/76/455630276.db2.gz NADODJUPQAULKX-KDOFPFPSSA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247618269 455630280 /nfs/dbraw/zinc/63/02/80/455630280.db2.gz NADODJUPQAULKX-KDOFPFPSSA-N 2 2 341.434 3.475 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247637286 455631500 /nfs/dbraw/zinc/63/15/00/455631500.db2.gz OFKYYHBCIYKHCY-CHWSQXEVSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247637286 455631502 /nfs/dbraw/zinc/63/15/02/455631502.db2.gz OFKYYHBCIYKHCY-CHWSQXEVSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccnn1C ZINC000192620746 455655609 /nfs/dbraw/zinc/65/56/09/455655609.db2.gz DCVDUCXXVIUGAY-AWEZNQCLSA-N 2 2 332.879 3.389 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895069 455722250 /nfs/dbraw/zinc/72/22/50/455722250.db2.gz ARVQBOHEEHUCCW-PBASOCQRSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895069 455722254 /nfs/dbraw/zinc/72/22/54/455722254.db2.gz ARVQBOHEEHUCCW-PBASOCQRSA-N 3 2 329.532 3.359 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186331948 455744619 /nfs/dbraw/zinc/74/46/19/455744619.db2.gz LFIIFIYKLRCLMG-YZGWKJHDSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186331948 455744625 /nfs/dbraw/zinc/74/46/25/455744625.db2.gz LFIIFIYKLRCLMG-YZGWKJHDSA-N 2 2 346.515 3.071 10 0 EGAELP CC(C)n1cc[nH+]c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261676146 455926833 /nfs/dbraw/zinc/92/68/33/455926833.db2.gz IBSPBVVCAVPUFK-GOSISDBHSA-N 2 2 327.476 3.003 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000272381351 455932737 /nfs/dbraw/zinc/93/27/37/455932737.db2.gz DWPNHCQZSSINEP-OWLYRPNTSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000272381351 455932742 /nfs/dbraw/zinc/93/27/42/455932742.db2.gz DWPNHCQZSSINEP-OWLYRPNTSA-N 2 2 339.487 3.213 10 0 EGAELP Cc1ccc(F)cc1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262074397 455993733 /nfs/dbraw/zinc/99/37/33/455993733.db2.gz CZHKRMMPAWBVTJ-GOSISDBHSA-N 2 2 342.462 3.012 10 0 EGAELP Cc1ccc(F)cc1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262074397 455993737 /nfs/dbraw/zinc/99/37/37/455993737.db2.gz CZHKRMMPAWBVTJ-GOSISDBHSA-N 2 2 342.462 3.012 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000271217830 456179493 /nfs/dbraw/zinc/17/94/93/456179493.db2.gz BVXFPJIQHXPVDQ-ZBFHGGJFSA-N 2 2 344.846 3.436 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000271217830 456179497 /nfs/dbraw/zinc/17/94/97/456179497.db2.gz BVXFPJIQHXPVDQ-ZBFHGGJFSA-N 2 2 344.846 3.436 10 0 EGAELP Nc1[nH+]cnc(NCc2ccccc2C[NH+]2CCCCC2)c1Cl ZINC000302031379 456272356 /nfs/dbraw/zinc/27/23/56/456272356.db2.gz CEAZYASYRLYRKF-UHFFFAOYSA-N 2 2 331.851 3.310 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)s1 ZINC000352784014 456303210 /nfs/dbraw/zinc/30/32/10/456303210.db2.gz ZYUPQQSKLZRMCB-IBGZPJMESA-N 2 2 338.480 3.479 10 0 EGAELP CC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302186519 456310492 /nfs/dbraw/zinc/31/04/92/456310492.db2.gz PQDNFCDIZOMSHO-WMLDXEAASA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](Nc2cc(C)[nH+]cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302186519 456310497 /nfs/dbraw/zinc/31/04/97/456310497.db2.gz PQDNFCDIZOMSHO-WMLDXEAASA-N 2 2 336.361 3.450 10 0 EGAELP COc1ccnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282059874 456403512 /nfs/dbraw/zinc/40/35/12/456403512.db2.gz MORHJBLPKUHFRS-HNNXBMFYSA-N 2 2 326.444 3.003 10 0 EGAELP COc1ccnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282059874 456403516 /nfs/dbraw/zinc/40/35/16/456403516.db2.gz MORHJBLPKUHFRS-HNNXBMFYSA-N 2 2 326.444 3.003 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131553 456422255 /nfs/dbraw/zinc/42/22/55/456422255.db2.gz RKIMYKDXNQDEQZ-DNVCBOLYSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131553 456422260 /nfs/dbraw/zinc/42/22/60/456422260.db2.gz RKIMYKDXNQDEQZ-DNVCBOLYSA-N 2 2 343.446 3.272 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@]1(C)CCCO1 ZINC000340377282 456423750 /nfs/dbraw/zinc/42/37/50/456423750.db2.gz JBQYEYCMENQBLV-MFNGEMCRSA-N 2 2 334.426 3.339 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000340393070 456433927 /nfs/dbraw/zinc/43/39/27/456433927.db2.gz DNYOWXYBJWLSSU-WCBMZHEXSA-N 2 2 338.274 3.368 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000340393070 456433936 /nfs/dbraw/zinc/43/39/36/456433936.db2.gz DNYOWXYBJWLSSU-WCBMZHEXSA-N 2 2 338.274 3.368 10 0 EGAELP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239523 456452935 /nfs/dbraw/zinc/45/29/35/456452935.db2.gz ZWGWZEKYJRHWCO-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239523 456452940 /nfs/dbraw/zinc/45/29/40/456452940.db2.gz ZWGWZEKYJRHWCO-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP Cc1ccc(C2CC[NH+](Cc3ncc(C[NH+](C)C)s3)CC2)cn1 ZINC000348261441 456579390 /nfs/dbraw/zinc/57/93/90/456579390.db2.gz MGEUHLNHAGBZNT-UHFFFAOYSA-N 2 2 330.501 3.288 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353387258 456665869 /nfs/dbraw/zinc/66/58/69/456665869.db2.gz NYUSDGZGPGPNEE-IRXDYDNUSA-N 2 2 347.532 3.181 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343507444 456667860 /nfs/dbraw/zinc/66/78/60/456667860.db2.gz XZXOZNRWPQIMSS-GBESFXJTSA-N 2 2 331.504 3.117 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343507444 456667865 /nfs/dbraw/zinc/66/78/65/456667865.db2.gz XZXOZNRWPQIMSS-GBESFXJTSA-N 2 2 331.504 3.117 10 0 EGAELP Cc1nc(N2CC[NH+](CCCc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000353580694 456778488 /nfs/dbraw/zinc/77/84/88/456778488.db2.gz JAXLXIKOEMVNSY-UHFFFAOYSA-N 2 2 330.863 3.193 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cccc4nccn43)C1)CCCC2 ZINC000299739466 456778862 /nfs/dbraw/zinc/77/88/62/456778862.db2.gz OUUQGVNPNZLSCT-QGZVFWFLSA-N 2 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cccc4nccn43)C1)CCCC2 ZINC000299739466 456778869 /nfs/dbraw/zinc/77/88/69/456778869.db2.gz OUUQGVNPNZLSCT-QGZVFWFLSA-N 2 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cccc4[nH+]ccn43)C1)CCCC2 ZINC000299739466 456778873 /nfs/dbraw/zinc/77/88/73/456778873.db2.gz OUUQGVNPNZLSCT-QGZVFWFLSA-N 3 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cccc4[nH+]ccn43)C1)CCCC2 ZINC000299739466 456778884 /nfs/dbraw/zinc/77/88/84/456778884.db2.gz OUUQGVNPNZLSCT-QGZVFWFLSA-N 3 2 335.455 3.165 10 0 EGAELP CCC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000341287255 456833870 /nfs/dbraw/zinc/83/38/70/456833870.db2.gz SCGULGJNJUKZHA-QZTJIDSGSA-N 2 2 340.471 3.042 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052378 456841963 /nfs/dbraw/zinc/84/19/63/456841963.db2.gz BSVHLLLIYSSITC-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052378 456841968 /nfs/dbraw/zinc/84/19/68/456841968.db2.gz BSVHLLLIYSSITC-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292052378 456841976 /nfs/dbraw/zinc/84/19/76/456841976.db2.gz BSVHLLLIYSSITC-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292052378 456841980 /nfs/dbraw/zinc/84/19/80/456841980.db2.gz BSVHLLLIYSSITC-KBXCAEBGSA-N 2 2 335.879 3.003 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179483 456878317 /nfs/dbraw/zinc/87/83/17/456878317.db2.gz QIJXITDUKBAPFH-JOCHJYFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179483 456878319 /nfs/dbraw/zinc/87/83/19/456878319.db2.gz QIJXITDUKBAPFH-JOCHJYFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179483 456878320 /nfs/dbraw/zinc/87/83/20/456878320.db2.gz QIJXITDUKBAPFH-JOCHJYFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179483 456878327 /nfs/dbraw/zinc/87/83/27/456878327.db2.gz QIJXITDUKBAPFH-JOCHJYFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[NH+](C)[C@]1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCSC1 ZINC000339068005 456925847 /nfs/dbraw/zinc/92/58/47/456925847.db2.gz OZUAXRNTLAQKGB-NEWSRXKRSA-N 2 2 334.529 3.181 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349359737 456952300 /nfs/dbraw/zinc/95/23/00/456952300.db2.gz ZWBGOLFWXZTJOM-UHFFFAOYSA-N 2 2 338.249 3.176 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349359737 456952302 /nfs/dbraw/zinc/95/23/02/456952302.db2.gz ZWBGOLFWXZTJOM-UHFFFAOYSA-N 2 2 338.249 3.176 10 0 EGAELP CCc1cccc(F)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349411866 456964430 /nfs/dbraw/zinc/96/44/30/456964430.db2.gz BKFFOEUXNKXGCO-DFNIBXOVSA-N 2 2 345.506 3.131 10 0 EGAELP CCc1cccc(F)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349411866 456964431 /nfs/dbraw/zinc/96/44/31/456964431.db2.gz BKFFOEUXNKXGCO-DFNIBXOVSA-N 2 2 345.506 3.131 10 0 EGAELP C[C@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946020 456975110 /nfs/dbraw/zinc/97/51/10/456975110.db2.gz DHJZWOOJUMIVRD-BPIHKTFHSA-N 2 2 335.536 3.019 10 0 EGAELP C[C@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946020 456975112 /nfs/dbraw/zinc/97/51/12/456975112.db2.gz DHJZWOOJUMIVRD-BPIHKTFHSA-N 2 2 335.536 3.019 10 0 EGAELP CO[C@@H](C)C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879700 456983774 /nfs/dbraw/zinc/98/37/74/456983774.db2.gz CLRGCZXVEDFWBY-ICSRJNTNSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879700 456983778 /nfs/dbraw/zinc/98/37/78/456983778.db2.gz CLRGCZXVEDFWBY-ICSRJNTNSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879700 456983780 /nfs/dbraw/zinc/98/37/80/456983780.db2.gz CLRGCZXVEDFWBY-ICSRJNTNSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879700 456983784 /nfs/dbraw/zinc/98/37/84/456983784.db2.gz CLRGCZXVEDFWBY-ICSRJNTNSA-N 2 2 334.504 3.023 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347204341 457288101 /nfs/dbraw/zinc/28/81/01/457288101.db2.gz MWVFKXDQXNCOGZ-OAQYLSRUSA-N 2 2 348.450 3.118 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347204341 457288104 /nfs/dbraw/zinc/28/81/04/457288104.db2.gz MWVFKXDQXNCOGZ-OAQYLSRUSA-N 2 2 348.450 3.118 10 0 EGAELP Fc1cccc(F)c1C[N@@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000347316610 457349150 /nfs/dbraw/zinc/34/91/50/457349150.db2.gz SGNGBOHFYMNCAE-LBPRGKRZSA-N 2 2 343.381 3.313 10 0 EGAELP Fc1cccc(F)c1C[N@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000347316610 457349151 /nfs/dbraw/zinc/34/91/51/457349151.db2.gz SGNGBOHFYMNCAE-LBPRGKRZSA-N 2 2 343.381 3.313 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000342684591 457454875 /nfs/dbraw/zinc/45/48/75/457454875.db2.gz GUPANSBHKWWCRW-SJORKVTESA-N 2 2 347.478 3.410 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000342684591 457454878 /nfs/dbraw/zinc/45/48/78/457454878.db2.gz GUPANSBHKWWCRW-SJORKVTESA-N 2 2 347.478 3.410 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000342684591 457454887 /nfs/dbraw/zinc/45/48/87/457454887.db2.gz GUPANSBHKWWCRW-SJORKVTESA-N 2 2 347.478 3.410 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000342684591 457454891 /nfs/dbraw/zinc/45/48/91/457454891.db2.gz GUPANSBHKWWCRW-SJORKVTESA-N 2 2 347.478 3.410 10 0 EGAELP COc1ccc(F)cc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000360975656 457482543 /nfs/dbraw/zinc/48/25/43/457482543.db2.gz OZKNPSKKKYVSCP-UHFFFAOYSA-N 2 2 325.387 3.369 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000399012115 457503624 /nfs/dbraw/zinc/50/36/24/457503624.db2.gz YNMJAWWTJNLVOS-NTZNESFSSA-N 2 2 327.266 3.249 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C#N)c[nH+]1 ZINC000399587849 457509994 /nfs/dbraw/zinc/50/99/94/457509994.db2.gz NYBMLOQCHLNZIN-YSIASYRMSA-N 2 2 332.451 3.006 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C#N)c[nH+]1 ZINC000399587849 457509999 /nfs/dbraw/zinc/50/99/99/457509999.db2.gz NYBMLOQCHLNZIN-YSIASYRMSA-N 2 2 332.451 3.006 10 0 EGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198610 457518947 /nfs/dbraw/zinc/51/89/47/457518947.db2.gz PCWAFSUIGOJHLQ-ZDUSSCGKSA-N 2 2 330.407 3.064 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374198547 457519576 /nfs/dbraw/zinc/51/95/76/457519576.db2.gz OOCJDVSCXFNPBA-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374200006 457519847 /nfs/dbraw/zinc/51/98/47/457519847.db2.gz MZRSWFISYWXDIX-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP CC(C)n1cncc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000425384367 457530511 /nfs/dbraw/zinc/53/05/11/457530511.db2.gz QIPLEBPNGPFISX-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1cncc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000425384367 457530530 /nfs/dbraw/zinc/53/05/30/457530530.db2.gz QIPLEBPNGPFISX-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305949 457615082 /nfs/dbraw/zinc/61/50/82/457615082.db2.gz QOXUGVHAESFUKL-QGZVFWFLSA-N 2 2 346.519 3.047 10 0 EGAELP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305949 457615087 /nfs/dbraw/zinc/61/50/87/457615087.db2.gz QOXUGVHAESFUKL-QGZVFWFLSA-N 2 2 346.519 3.047 10 0 EGAELP OC[C@]1(c2ccccc2)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000361238581 457662229 /nfs/dbraw/zinc/66/22/29/457662229.db2.gz UXMQDDKIJLXOCO-IBGZPJMESA-N 2 2 339.464 3.070 10 0 EGAELP OC[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000361238581 457662232 /nfs/dbraw/zinc/66/22/32/457662232.db2.gz UXMQDDKIJLXOCO-IBGZPJMESA-N 2 2 339.464 3.070 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000361377543 457710613 /nfs/dbraw/zinc/71/06/13/457710613.db2.gz IRRYKXYZVNSUMO-DNVCBOLYSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000361377543 457710617 /nfs/dbraw/zinc/71/06/17/457710617.db2.gz IRRYKXYZVNSUMO-DNVCBOLYSA-N 2 2 342.487 3.101 10 0 EGAELP C[C@H](O)CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000411506797 457905566 /nfs/dbraw/zinc/90/55/66/457905566.db2.gz HZCKJPCUNMNQHH-SUMWQHHRSA-N 2 2 326.431 3.241 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000361947880 457972439 /nfs/dbraw/zinc/97/24/39/457972439.db2.gz ZSHXHCYGDAYIIP-LBPRGKRZSA-N 2 2 338.224 3.311 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000361947880 457972445 /nfs/dbraw/zinc/97/24/45/457972445.db2.gz ZSHXHCYGDAYIIP-LBPRGKRZSA-N 2 2 338.224 3.311 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000368103101 458010415 /nfs/dbraw/zinc/01/04/15/458010415.db2.gz SAKIHOLENMPUKL-DOMZBBRYSA-N 2 2 329.469 3.492 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCS2 ZINC000368103101 458010422 /nfs/dbraw/zinc/01/04/22/458010422.db2.gz SAKIHOLENMPUKL-DOMZBBRYSA-N 2 2 329.469 3.492 10 0 EGAELP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375725731 458039134 /nfs/dbraw/zinc/03/91/34/458039134.db2.gz DXBVAXOMLBBAMN-KRWDZBQOSA-N 2 2 342.405 3.391 10 0 EGAELP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375725731 458039138 /nfs/dbraw/zinc/03/91/38/458039138.db2.gz DXBVAXOMLBBAMN-KRWDZBQOSA-N 2 2 342.405 3.391 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427888787 458047777 /nfs/dbraw/zinc/04/77/77/458047777.db2.gz DXRWHDZSQINWBM-RXVVDRJESA-N 2 2 345.531 3.278 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427888787 458047783 /nfs/dbraw/zinc/04/77/83/458047783.db2.gz DXRWHDZSQINWBM-RXVVDRJESA-N 2 2 345.531 3.278 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006982 458253339 /nfs/dbraw/zinc/25/33/39/458253339.db2.gz IXECENGOQQLAGW-KXBFYZLASA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006982 458253345 /nfs/dbraw/zinc/25/33/45/458253345.db2.gz IXECENGOQQLAGW-KXBFYZLASA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429006982 458253348 /nfs/dbraw/zinc/25/33/48/458253348.db2.gz IXECENGOQQLAGW-KXBFYZLASA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429006982 458253356 /nfs/dbraw/zinc/25/33/56/458253356.db2.gz IXECENGOQQLAGW-KXBFYZLASA-N 2 2 326.444 3.134 10 0 EGAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277570 458260895 /nfs/dbraw/zinc/26/08/95/458260895.db2.gz JIVZANKQHWKOOC-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277570 458260896 /nfs/dbraw/zinc/26/08/96/458260896.db2.gz JIVZANKQHWKOOC-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277570 458260899 /nfs/dbraw/zinc/26/08/99/458260899.db2.gz JIVZANKQHWKOOC-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277570 458260903 /nfs/dbraw/zinc/26/09/03/458260903.db2.gz JIVZANKQHWKOOC-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000447302201 458281624 /nfs/dbraw/zinc/28/16/24/458281624.db2.gz AFLILPKZEYNDBN-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000447302201 458281631 /nfs/dbraw/zinc/28/16/31/458281631.db2.gz AFLILPKZEYNDBN-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000447302201 458281638 /nfs/dbraw/zinc/28/16/38/458281638.db2.gz AFLILPKZEYNDBN-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000447302201 458281641 /nfs/dbraw/zinc/28/16/41/458281641.db2.gz AFLILPKZEYNDBN-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026027 458379822 /nfs/dbraw/zinc/37/98/22/458379822.db2.gz QUHKOOIJGAZTKE-LXHROKJGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026027 458379826 /nfs/dbraw/zinc/37/98/26/458379826.db2.gz QUHKOOIJGAZTKE-LXHROKJGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000373026027 458379830 /nfs/dbraw/zinc/37/98/30/458379830.db2.gz QUHKOOIJGAZTKE-LXHROKJGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC000373026027 458379835 /nfs/dbraw/zinc/37/98/35/458379835.db2.gz QUHKOOIJGAZTKE-LXHROKJGSA-N 3 2 339.527 3.398 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)[nH+]1 ZINC000373327499 458462715 /nfs/dbraw/zinc/46/27/15/458462715.db2.gz XPNUAKAXLSLAQF-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCCC(C)C ZINC000377771864 458520088 /nfs/dbraw/zinc/52/00/88/458520088.db2.gz DRJHAWHMQYYKSD-MRXNPFEDSA-N 2 2 343.471 3.490 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OCCC(C)C ZINC000377771864 458520092 /nfs/dbraw/zinc/52/00/92/458520092.db2.gz DRJHAWHMQYYKSD-MRXNPFEDSA-N 2 2 343.471 3.490 10 0 EGAELP Cc1[nH+]c2cc(NCc3c[nH+]cn3C(C)C)ccc2n1[C@@H](C)CO ZINC000424169345 458576356 /nfs/dbraw/zinc/57/63/56/458576356.db2.gz JPBKLXGKHKWWPP-ZDUSSCGKSA-N 2 2 327.432 3.288 10 0 EGAELP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000424199820 458583036 /nfs/dbraw/zinc/58/30/36/458583036.db2.gz QIFJQGFEHLIFPM-WOJBJXKFSA-N 2 2 325.431 3.273 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311204 458611589 /nfs/dbraw/zinc/61/15/89/458611589.db2.gz KSAAWIYYRADXQB-XNTOXWQXSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311204 458611596 /nfs/dbraw/zinc/61/15/96/458611596.db2.gz KSAAWIYYRADXQB-XNTOXWQXSA-N 2 2 328.500 3.444 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030344 458665282 /nfs/dbraw/zinc/66/52/82/458665282.db2.gz SVXSXQXQPNXXLS-ROUUACIJSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030344 458665288 /nfs/dbraw/zinc/66/52/88/458665288.db2.gz SVXSXQXQPNXXLS-ROUUACIJSA-N 2 2 349.906 3.076 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946336 459005458 /nfs/dbraw/zinc/00/54/58/459005458.db2.gz YVPZJIXPVWMNNQ-VGSWGCGISA-N 3 2 337.511 3.455 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946336 459005464 /nfs/dbraw/zinc/00/54/64/459005464.db2.gz YVPZJIXPVWMNNQ-VGSWGCGISA-N 3 2 337.511 3.455 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226842 459050139 /nfs/dbraw/zinc/05/01/39/459050139.db2.gz XGTMCIWFOSBULX-AYOQOUSVSA-N 2 2 335.923 3.234 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226842 459050142 /nfs/dbraw/zinc/05/01/42/459050142.db2.gz XGTMCIWFOSBULX-AYOQOUSVSA-N 2 2 335.923 3.234 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(OC(F)F)c1 ZINC000532246490 459053616 /nfs/dbraw/zinc/05/36/16/459053616.db2.gz PDWPATSFVCVUHK-IUODEOHRSA-N 2 2 328.403 3.117 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(OC(F)F)c1 ZINC000532246490 459053619 /nfs/dbraw/zinc/05/36/19/459053619.db2.gz PDWPATSFVCVUHK-IUODEOHRSA-N 2 2 328.403 3.117 10 0 EGAELP COC(=O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000567148076 459054982 /nfs/dbraw/zinc/05/49/82/459054982.db2.gz BNXSWSNPQZUETR-UHFFFAOYSA-N 2 2 327.409 3.010 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000594495512 459060619 /nfs/dbraw/zinc/06/06/19/459060619.db2.gz AXQGVKAOPPHZHJ-ACWOFJMJSA-N 2 2 328.456 3.065 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000594495512 459060626 /nfs/dbraw/zinc/06/06/26/459060626.db2.gz AXQGVKAOPPHZHJ-ACWOFJMJSA-N 2 2 328.456 3.065 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)nn2C)cc1 ZINC000567781833 459167882 /nfs/dbraw/zinc/16/78/82/459167882.db2.gz RGRVWSWXZRKXJN-CYBMUJFWSA-N 2 2 336.443 3.037 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCC34CCOCC4)C2)CC1 ZINC000558621906 459182697 /nfs/dbraw/zinc/18/26/97/459182697.db2.gz MBQJMMXXONYDKD-UYSNPLJNSA-N 2 2 346.437 3.341 10 0 EGAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590691248 459183459 /nfs/dbraw/zinc/18/34/59/459183459.db2.gz PELIXFYUVNLENT-CQSZACIVSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590691248 459183463 /nfs/dbraw/zinc/18/34/63/459183463.db2.gz PELIXFYUVNLENT-CQSZACIVSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590691247 459183975 /nfs/dbraw/zinc/18/39/75/459183975.db2.gz PELIXFYUVNLENT-AWEZNQCLSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000590691247 459183977 /nfs/dbraw/zinc/18/39/77/459183977.db2.gz PELIXFYUVNLENT-AWEZNQCLSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595008480 459213770 /nfs/dbraw/zinc/21/37/70/459213770.db2.gz UITNVOYIAKRLPN-SJLPKXTDSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595008480 459213772 /nfs/dbraw/zinc/21/37/72/459213772.db2.gz UITNVOYIAKRLPN-SJLPKXTDSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000595015843 459216776 /nfs/dbraw/zinc/21/67/76/459216776.db2.gz HVDMZCNIQZOGPV-CQSZACIVSA-N 2 2 347.434 3.469 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000595025245 459220133 /nfs/dbraw/zinc/22/01/33/459220133.db2.gz KDROUQQDFHPGDW-INIZCTEOSA-N 2 2 346.515 3.043 10 0 EGAELP C[C@@H](CSCCF)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000595044915 459226573 /nfs/dbraw/zinc/22/65/73/459226573.db2.gz ADNSFCYLVVUXLK-XGNXJENSSA-N 2 2 342.446 3.473 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255978 459299812 /nfs/dbraw/zinc/29/98/12/459299812.db2.gz GHNWIIBBROTUBP-HKUYNNGSSA-N 2 2 334.504 3.483 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255978 459299815 /nfs/dbraw/zinc/29/98/15/459299815.db2.gz GHNWIIBBROTUBP-HKUYNNGSSA-N 2 2 334.504 3.483 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000582238662 459331333 /nfs/dbraw/zinc/33/13/33/459331333.db2.gz NWQLWLSHPCJSFK-KRWDZBQOSA-N 2 2 349.272 3.192 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866575 459457295 /nfs/dbraw/zinc/45/72/95/459457295.db2.gz CZQPJVVAIGZYEA-KRWDZBQOSA-N 2 2 326.444 3.084 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866575 459457299 /nfs/dbraw/zinc/45/72/99/459457299.db2.gz CZQPJVVAIGZYEA-KRWDZBQOSA-N 2 2 326.444 3.084 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592425565 459598158 /nfs/dbraw/zinc/59/81/58/459598158.db2.gz IPFGMVYHQRLGRW-YOEHRIQHSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592425565 459598163 /nfs/dbraw/zinc/59/81/63/459598163.db2.gz IPFGMVYHQRLGRW-YOEHRIQHSA-N 2 2 336.863 3.091 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)nc1C ZINC000543542187 459666655 /nfs/dbraw/zinc/66/66/55/459666655.db2.gz IMHVEQNZMCKJFF-UONOGXRCSA-N 2 2 339.505 3.153 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)nc1C ZINC000543542187 459666657 /nfs/dbraw/zinc/66/66/57/459666657.db2.gz IMHVEQNZMCKJFF-UONOGXRCSA-N 2 2 339.505 3.153 10 0 EGAELP Fc1c(Br)ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1F ZINC000527713966 459710674 /nfs/dbraw/zinc/71/06/74/459710674.db2.gz XKOTWWZGOAGJEA-SECBINFHSA-N 2 2 342.187 3.098 10 0 EGAELP Fc1c(Br)ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1F ZINC000527713966 459710678 /nfs/dbraw/zinc/71/06/78/459710678.db2.gz XKOTWWZGOAGJEA-SECBINFHSA-N 2 2 342.187 3.098 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810190 459744851 /nfs/dbraw/zinc/74/48/51/459744851.db2.gz VCCXGUIZHDQKRT-LMNJBCLMSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810190 459744856 /nfs/dbraw/zinc/74/48/56/459744856.db2.gz VCCXGUIZHDQKRT-LMNJBCLMSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527810190 459744860 /nfs/dbraw/zinc/74/48/60/459744860.db2.gz VCCXGUIZHDQKRT-LMNJBCLMSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527810190 459744862 /nfs/dbraw/zinc/74/48/62/459744862.db2.gz VCCXGUIZHDQKRT-LMNJBCLMSA-N 2 2 327.516 3.428 10 0 EGAELP Cc1[nH+]cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1C ZINC000527811253 459747153 /nfs/dbraw/zinc/74/71/53/459747153.db2.gz QYYRQKRFGUSCOJ-INIZCTEOSA-N 2 2 341.286 3.428 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944489 459778822 /nfs/dbraw/zinc/77/88/22/459778822.db2.gz DIOIILDYSCWVFV-YOEHRIQHSA-N 2 2 343.471 3.075 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944489 459778827 /nfs/dbraw/zinc/77/88/27/459778827.db2.gz DIOIILDYSCWVFV-YOEHRIQHSA-N 2 2 343.471 3.075 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944480 459778971 /nfs/dbraw/zinc/77/89/71/459778971.db2.gz DIOIILDYSCWVFV-PBHICJAKSA-N 2 2 343.471 3.075 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944480 459778978 /nfs/dbraw/zinc/77/89/78/459778978.db2.gz DIOIILDYSCWVFV-PBHICJAKSA-N 2 2 343.471 3.075 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)CC3 ZINC000545896820 459868687 /nfs/dbraw/zinc/86/86/87/459868687.db2.gz QNSXVLVYWALQQF-HZPDHXFCSA-N 2 2 341.499 3.498 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)CC3 ZINC000545896820 459868691 /nfs/dbraw/zinc/86/86/91/459868691.db2.gz QNSXVLVYWALQQF-HZPDHXFCSA-N 2 2 341.499 3.498 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000575002546 459907619 /nfs/dbraw/zinc/90/76/19/459907619.db2.gz OKZISTCLPUFEFG-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000575002546 459907622 /nfs/dbraw/zinc/90/76/22/459907622.db2.gz OKZISTCLPUFEFG-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP Cc1cc(Br)cc2c1C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000575878325 460022984 /nfs/dbraw/zinc/02/29/84/460022984.db2.gz GKAVALLWIGYAOY-UHFFFAOYSA-N 2 2 348.288 3.482 10 0 EGAELP Cc1cc(Br)cc2c1C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000575878325 460022993 /nfs/dbraw/zinc/02/29/93/460022993.db2.gz GKAVALLWIGYAOY-UHFFFAOYSA-N 2 2 348.288 3.482 10 0 EGAELP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603869120 460351328 /nfs/dbraw/zinc/35/13/28/460351328.db2.gz ZPIODUYCHXKYCX-AWEZNQCLSA-N 2 2 345.830 3.351 10 0 EGAELP C[N@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603869120 460351332 /nfs/dbraw/zinc/35/13/32/460351332.db2.gz ZPIODUYCHXKYCX-AWEZNQCLSA-N 2 2 345.830 3.351 10 0 EGAELP CC[N@H+](Cc1nnc(C2CCC2)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062822 460360160 /nfs/dbraw/zinc/36/01/60/460360160.db2.gz IBLFCBIIAPXQOM-UHFFFAOYSA-N 2 2 341.503 3.166 10 0 EGAELP CC[N@@H+](Cc1nnc(C2CCC2)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062822 460360168 /nfs/dbraw/zinc/36/01/68/460360168.db2.gz IBLFCBIIAPXQOM-UHFFFAOYSA-N 2 2 341.503 3.166 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCN(CCCF)CC1 ZINC000626069861 460362170 /nfs/dbraw/zinc/36/21/70/460362170.db2.gz OGBGZJNGEJEVKI-UHFFFAOYSA-N 2 2 346.494 3.492 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCCOc2ccccc2)CC1 ZINC000626088332 460366150 /nfs/dbraw/zinc/36/61/50/460366150.db2.gz UPIKUYJEYHWBRN-UHFFFAOYSA-N 2 2 346.515 3.422 10 0 EGAELP C[C@@H](C[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885293 460494543 /nfs/dbraw/zinc/49/45/43/460494543.db2.gz ZZPHDZLHHPVNRT-SIKLNZKXSA-N 2 2 338.495 3.407 10 0 EGAELP C[C@@H](C[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885293 460494550 /nfs/dbraw/zinc/49/45/50/460494550.db2.gz ZZPHDZLHHPVNRT-SIKLNZKXSA-N 2 2 338.495 3.407 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522143 /nfs/dbraw/zinc/52/21/43/460522143.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 3 2 335.561 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522150 /nfs/dbraw/zinc/52/21/50/460522150.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522155 /nfs/dbraw/zinc/52/21/55/460522155.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522159 /nfs/dbraw/zinc/52/21/59/460522159.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 3 2 335.561 3.423 10 0 EGAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421630 460539858 /nfs/dbraw/zinc/53/98/58/460539858.db2.gz TYXKYOFFEGKLJX-SEVLPDGMSA-N 2 2 328.500 3.038 10 0 EGAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421630 460539864 /nfs/dbraw/zinc/53/98/64/460539864.db2.gz TYXKYOFFEGKLJX-SEVLPDGMSA-N 2 2 328.500 3.038 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629416724 460751570 /nfs/dbraw/zinc/75/15/70/460751570.db2.gz UYMWELYVCDOWCG-GXFFZTMASA-N 2 2 329.307 3.401 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885681 460761650 /nfs/dbraw/zinc/76/16/50/460761650.db2.gz GCLVKDNJASRGFV-HOTGVXAUSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885681 460761656 /nfs/dbraw/zinc/76/16/56/460761656.db2.gz GCLVKDNJASRGFV-HOTGVXAUSA-N 2 2 343.475 3.291 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000629523555 460794344 /nfs/dbraw/zinc/79/43/44/460794344.db2.gz GJAHOGILOMRKFP-CORIIIEPSA-N 2 2 343.393 3.153 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534627 460798882 /nfs/dbraw/zinc/79/88/82/460798882.db2.gz AUDRUSHPQZMPDG-FRRDWIJNSA-N 2 2 343.393 3.153 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056012 460839314 /nfs/dbraw/zinc/83/93/14/460839314.db2.gz VAUHXEHRCLCHSY-MAUKXSAKSA-N 2 2 347.466 3.336 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056012 460839320 /nfs/dbraw/zinc/83/93/20/460839320.db2.gz VAUHXEHRCLCHSY-MAUKXSAKSA-N 2 2 347.466 3.336 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[NH2+]1 ZINC000629660403 460853601 /nfs/dbraw/zinc/85/36/01/460853601.db2.gz TXCIHAPJGMVDHK-TZMCWYRMSA-N 2 2 338.377 3.121 10 0 EGAELP Cc1c[nH+]cn1C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624175184 460896349 /nfs/dbraw/zinc/89/63/49/460896349.db2.gz LAJBXGSKZONAEF-UHFFFAOYSA-N 2 2 332.411 3.229 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624232655 460921667 /nfs/dbraw/zinc/92/16/67/460921667.db2.gz IKBYMRNEGGGUHR-OAHLLOKOSA-N 2 2 325.460 3.137 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624232655 460921673 /nfs/dbraw/zinc/92/16/73/460921673.db2.gz IKBYMRNEGGGUHR-OAHLLOKOSA-N 2 2 325.460 3.137 10 0 EGAELP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000608069667 460976608 /nfs/dbraw/zinc/97/66/08/460976608.db2.gz DORPBXZMNRPGHI-QGZVFWFLSA-N 2 2 337.423 3.208 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190723 461043027 /nfs/dbraw/zinc/04/30/27/461043027.db2.gz OAZOKTYQTCZMEW-UYAOXDASSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190723 461043035 /nfs/dbraw/zinc/04/30/35/461043035.db2.gz OAZOKTYQTCZMEW-UYAOXDASSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000628190723 461043041 /nfs/dbraw/zinc/04/30/41/461043041.db2.gz OAZOKTYQTCZMEW-UYAOXDASSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000628190723 461043044 /nfs/dbraw/zinc/04/30/44/461043044.db2.gz OAZOKTYQTCZMEW-UYAOXDASSA-N 2 2 325.456 3.470 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC1CC1 ZINC000628295616 461078035 /nfs/dbraw/zinc/07/80/35/461078035.db2.gz DCZZNWGOVIEJQF-HXUWFJFHSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC1CC1 ZINC000628295616 461078042 /nfs/dbraw/zinc/07/80/42/461078042.db2.gz DCZZNWGOVIEJQF-HXUWFJFHSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC1CC1 ZINC000628295616 461078045 /nfs/dbraw/zinc/07/80/45/461078045.db2.gz DCZZNWGOVIEJQF-HXUWFJFHSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC1CC1 ZINC000628295616 461078048 /nfs/dbraw/zinc/07/80/48/461078048.db2.gz DCZZNWGOVIEJQF-HXUWFJFHSA-N 2 2 330.472 3.154 10 0 EGAELP c1cc(C[N@H+](Cc2ccccc2)Cc2cccc3c2CC[NH2+]C3)n[nH]1 ZINC000662261051 461150438 /nfs/dbraw/zinc/15/04/38/461150438.db2.gz FWUPDVIMFJMXMF-UHFFFAOYSA-N 2 2 332.451 3.258 10 0 EGAELP c1cc(C[N@@H+](Cc2ccccc2)Cc2cccc3c2CC[NH2+]C3)n[nH]1 ZINC000662261051 461150444 /nfs/dbraw/zinc/15/04/44/461150444.db2.gz FWUPDVIMFJMXMF-UHFFFAOYSA-N 2 2 332.451 3.258 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cncc1Br ZINC000668168327 461151437 /nfs/dbraw/zinc/15/14/37/461151437.db2.gz UMRCSTJLCUUURT-UHFFFAOYSA-N 2 2 341.228 3.010 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cncc1Br ZINC000668168327 461151442 /nfs/dbraw/zinc/15/14/42/461151442.db2.gz UMRCSTJLCUUURT-UHFFFAOYSA-N 2 2 341.228 3.010 10 0 EGAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566492 461180456 /nfs/dbraw/zinc/18/04/56/461180456.db2.gz MCTHDMGRTPJPKQ-UZLBHIALSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566492 461180465 /nfs/dbraw/zinc/18/04/65/461180465.db2.gz MCTHDMGRTPJPKQ-UZLBHIALSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000649566492 461180474 /nfs/dbraw/zinc/18/04/74/461180474.db2.gz MCTHDMGRTPJPKQ-UZLBHIALSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000649566492 461180480 /nfs/dbraw/zinc/18/04/80/461180480.db2.gz MCTHDMGRTPJPKQ-UZLBHIALSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321435 461191959 /nfs/dbraw/zinc/19/19/59/461191959.db2.gz IGLJLUPLNUEPIH-IBGZPJMESA-N 2 2 334.504 3.264 10 0 EGAELP CC(C)COc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321435 461191965 /nfs/dbraw/zinc/19/19/65/461191965.db2.gz IGLJLUPLNUEPIH-IBGZPJMESA-N 2 2 334.504 3.264 10 0 EGAELP CC[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000630862797 461375860 /nfs/dbraw/zinc/37/58/60/461375860.db2.gz MVIXIQKSQHKPRA-INIZCTEOSA-N 2 2 337.552 3.124 10 0 EGAELP Cc1cc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c(O)cc1Cl ZINC000668679106 461378271 /nfs/dbraw/zinc/37/82/71/461378271.db2.gz ZOQBILGKXHZGCJ-ZDUSSCGKSA-N 2 2 331.847 3.486 10 0 EGAELP Cc1cc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c(O)cc1Cl ZINC000668679106 461378277 /nfs/dbraw/zinc/37/82/77/461378277.db2.gz ZOQBILGKXHZGCJ-ZDUSSCGKSA-N 2 2 331.847 3.486 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000668785461 461433673 /nfs/dbraw/zinc/43/36/73/461433673.db2.gz QNFBVHQLDKYHHU-MRXNPFEDSA-N 2 2 337.533 3.343 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000668785461 461433682 /nfs/dbraw/zinc/43/36/82/461433682.db2.gz QNFBVHQLDKYHHU-MRXNPFEDSA-N 2 2 337.533 3.343 10 0 EGAELP OCC1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccncc2)CCC1 ZINC000668812894 461447388 /nfs/dbraw/zinc/44/73/88/461447388.db2.gz XCFONZGEGCSLES-HXUWFJFHSA-N 2 2 348.450 3.261 10 0 EGAELP CC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642197105 461467450 /nfs/dbraw/zinc/46/74/50/461467450.db2.gz NDYJGJZEIXJECM-GFCCVEGCSA-N 2 2 327.407 3.028 10 0 EGAELP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642197105 461467457 /nfs/dbraw/zinc/46/74/57/461467457.db2.gz NDYJGJZEIXJECM-GFCCVEGCSA-N 2 2 327.407 3.028 10 0 EGAELP Cc1ccccc1-n1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000647171474 461541329 /nfs/dbraw/zinc/54/13/29/461541329.db2.gz LFXHGYDPIJYAFS-UHFFFAOYSA-N 2 2 347.466 3.334 10 0 EGAELP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666300986 461555836 /nfs/dbraw/zinc/55/58/36/461555836.db2.gz ACZPUPKMOYWROZ-INIZCTEOSA-N 2 2 338.455 3.139 10 0 EGAELP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666300986 461555841 /nfs/dbraw/zinc/55/58/41/461555841.db2.gz ACZPUPKMOYWROZ-INIZCTEOSA-N 2 2 338.455 3.139 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346661 461576616 /nfs/dbraw/zinc/57/66/16/461576616.db2.gz CBEUONSDEDUCKD-QGZVFWFLSA-N 2 2 326.488 3.268 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346661 461576621 /nfs/dbraw/zinc/57/66/21/461576621.db2.gz CBEUONSDEDUCKD-QGZVFWFLSA-N 2 2 326.488 3.268 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000647289306 461615575 /nfs/dbraw/zinc/61/55/75/461615575.db2.gz NHEVTUWISOUAQZ-LNLFQRSKSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000647289306 461615582 /nfs/dbraw/zinc/61/55/82/461615582.db2.gz NHEVTUWISOUAQZ-LNLFQRSKSA-N 2 2 348.535 3.007 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194424 461635269 /nfs/dbraw/zinc/63/52/69/461635269.db2.gz KZOMWVMIBGMXDQ-PKOBYXMFSA-N 2 2 338.499 3.077 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194424 461635276 /nfs/dbraw/zinc/63/52/76/461635276.db2.gz KZOMWVMIBGMXDQ-PKOBYXMFSA-N 2 2 338.499 3.077 10 0 EGAELP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OCc1ccccc1 ZINC000663497063 461672348 /nfs/dbraw/zinc/67/23/48/461672348.db2.gz AUHSZEZSBICGAN-UHFFFAOYSA-N 2 2 338.451 3.116 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663658558 461740161 /nfs/dbraw/zinc/74/01/61/461740161.db2.gz MWXMRUPGTZOVBD-MFKMUULPSA-N 2 2 341.297 3.022 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663658558 461740171 /nfs/dbraw/zinc/74/01/71/461740171.db2.gz MWXMRUPGTZOVBD-MFKMUULPSA-N 2 2 341.297 3.022 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[NH2+]C[C@@H](C)C3)ccn2)cc1 ZINC000647550946 461762928 /nfs/dbraw/zinc/76/29/28/461762928.db2.gz PUVJEROJQVHVSG-RDJZCZTQSA-N 2 2 341.455 3.360 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000656487306 461762964 /nfs/dbraw/zinc/76/29/64/461762964.db2.gz SKWSKRSASRRLBO-QGZVFWFLSA-N 2 2 339.487 3.244 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000656487306 461762968 /nfs/dbraw/zinc/76/29/68/461762968.db2.gz SKWSKRSASRRLBO-QGZVFWFLSA-N 2 2 339.487 3.244 10 0 EGAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000653643131 461779253 /nfs/dbraw/zinc/77/92/53/461779253.db2.gz CDASMPUNVWHAOV-XLIONFOSSA-N 2 2 342.483 3.229 10 0 EGAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000653643131 461779261 /nfs/dbraw/zinc/77/92/61/461779261.db2.gz CDASMPUNVWHAOV-XLIONFOSSA-N 2 2 342.483 3.229 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190779 461793391 /nfs/dbraw/zinc/79/33/91/461793391.db2.gz CJFMYWQSJHUAKK-WWMYMODYSA-N 3 2 336.483 3.225 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190779 461793394 /nfs/dbraw/zinc/79/33/94/461793394.db2.gz CJFMYWQSJHUAKK-WWMYMODYSA-N 3 2 336.483 3.225 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899433 461874653 /nfs/dbraw/zinc/87/46/53/461874653.db2.gz KHNGOFJNDBMAOL-JYJNAYRXSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899433 461874664 /nfs/dbraw/zinc/87/46/64/461874664.db2.gz KHNGOFJNDBMAOL-JYJNAYRXSA-N 2 2 347.528 3.200 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647903738 461877796 /nfs/dbraw/zinc/87/77/96/461877796.db2.gz OXISHYIZNNUFNR-VXGBXAGGSA-N 2 2 333.423 3.434 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647903738 461877806 /nfs/dbraw/zinc/87/78/06/461877806.db2.gz OXISHYIZNNUFNR-VXGBXAGGSA-N 2 2 333.423 3.434 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902814 461878596 /nfs/dbraw/zinc/87/85/96/461878596.db2.gz CGTYSADFXSYRFE-SZMVWBNQSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902814 461878602 /nfs/dbraw/zinc/87/86/02/461878602.db2.gz CGTYSADFXSYRFE-SZMVWBNQSA-N 2 2 329.488 3.040 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2F)cc1F ZINC000656791139 461901449 /nfs/dbraw/zinc/90/14/49/461901449.db2.gz UIBWTNZFRWLPFD-YJBOKZPZSA-N 2 2 332.394 3.209 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709248 461904302 /nfs/dbraw/zinc/90/43/02/461904302.db2.gz MLXCLADFJDURNG-BBRMVZONSA-N 2 2 339.277 3.019 10 0 EGAELP COc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709248 461904310 /nfs/dbraw/zinc/90/43/10/461904310.db2.gz MLXCLADFJDURNG-BBRMVZONSA-N 2 2 339.277 3.019 10 0 EGAELP CCO[C@@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000650715111 461907162 /nfs/dbraw/zinc/90/71/62/461907162.db2.gz PPLGOFPYYXRVPF-BXUZGUMPSA-N 2 2 336.785 3.154 10 0 EGAELP CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000650715111 461907171 /nfs/dbraw/zinc/90/71/71/461907171.db2.gz PPLGOFPYYXRVPF-BXUZGUMPSA-N 2 2 336.785 3.154 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957075 461908897 /nfs/dbraw/zinc/90/88/97/461908897.db2.gz LQOWFEMWECMWRJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957075 461908903 /nfs/dbraw/zinc/90/89/03/461908903.db2.gz LQOWFEMWECMWRJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660851809 461995662 /nfs/dbraw/zinc/99/56/62/461995662.db2.gz AREJVUUZENBFOM-UHFFFAOYSA-N 2 2 342.487 3.122 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657368481 462076427 /nfs/dbraw/zinc/07/64/27/462076427.db2.gz WJZVNGGHCKUNBD-MRXNPFEDSA-N 2 2 339.487 3.318 10 0 EGAELP c1cc(C[NH+]2CCC(OCc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667492174 462110111 /nfs/dbraw/zinc/11/01/11/462110111.db2.gz ZLOUKJYDWDLAKS-UHFFFAOYSA-N 2 2 348.450 3.449 10 0 EGAELP C[NH+](C)Cc1ccc(NCc2c[nH+]c3n2CCC3)cc1Br ZINC000657447814 462129637 /nfs/dbraw/zinc/12/96/37/462129637.db2.gz SXIXWYWAIRAEAE-UHFFFAOYSA-N 2 2 349.276 3.266 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000657523077 462165631 /nfs/dbraw/zinc/16/56/31/462165631.db2.gz DCKZFGKLTASCAS-ZDUSSCGKSA-N 2 2 334.414 3.317 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000657523077 462165637 /nfs/dbraw/zinc/16/56/37/462165637.db2.gz DCKZFGKLTASCAS-ZDUSSCGKSA-N 2 2 334.414 3.317 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571164 462186182 /nfs/dbraw/zinc/18/61/82/462186182.db2.gz WASXHAHOGRZBKO-NXHRZFHOSA-N 2 2 337.471 3.071 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571164 462186188 /nfs/dbraw/zinc/18/61/88/462186188.db2.gz WASXHAHOGRZBKO-NXHRZFHOSA-N 2 2 337.471 3.071 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000648742866 462257217 /nfs/dbraw/zinc/25/72/17/462257217.db2.gz SYPVMTYPSBGWAU-ZDUSSCGKSA-N 2 2 341.390 3.360 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1nccn1C ZINC000657794251 462269831 /nfs/dbraw/zinc/26/98/31/462269831.db2.gz VMWKDFHJCLIKAV-AWEZNQCLSA-N 2 2 332.879 3.389 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000657815768 462281051 /nfs/dbraw/zinc/28/10/51/462281051.db2.gz ILCVLJLLCMMEPA-SFTDATJTSA-N 2 2 346.515 3.245 10 0 EGAELP C[C@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657814234 462281105 /nfs/dbraw/zinc/28/11/05/462281105.db2.gz BBXFPMDAYDWYNC-AVRDEDQJSA-N 2 2 338.495 3.405 10 0 EGAELP c1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984003 462360102 /nfs/dbraw/zinc/36/01/02/462360102.db2.gz HJNILRLFBFEUPP-NRFANRHFSA-N 2 2 348.450 3.101 10 0 EGAELP c1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984003 462360111 /nfs/dbraw/zinc/36/01/11/462360111.db2.gz HJNILRLFBFEUPP-NRFANRHFSA-N 2 2 348.450 3.101 10 0 EGAELP COc1ccccc1-c1ncc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000651864955 462360716 /nfs/dbraw/zinc/36/07/16/462360716.db2.gz JOBOSKPFHVNYTH-UHFFFAOYSA-N 2 2 342.487 3.220 10 0 EGAELP COc1ccccc1-c1ncc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000651864955 462360720 /nfs/dbraw/zinc/36/07/20/462360720.db2.gz JOBOSKPFHVNYTH-UHFFFAOYSA-N 2 2 342.487 3.220 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccncc2)cc1F ZINC000665259776 462373905 /nfs/dbraw/zinc/37/39/05/462373905.db2.gz PMOYXMOCKMNCIV-SKDZVZGDSA-N 2 2 329.419 3.026 10 0 EGAELP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278082 462381043 /nfs/dbraw/zinc/38/10/43/462381043.db2.gz UULQCQLDJZDFMM-WJAMPBCPSA-N 2 2 340.442 3.460 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277271 462381210 /nfs/dbraw/zinc/38/12/10/462381210.db2.gz XWUWDBWZBWHBRH-TYPHKJRUSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277271 462381212 /nfs/dbraw/zinc/38/12/12/462381212.db2.gz XWUWDBWZBWHBRH-TYPHKJRUSA-N 3 2 341.543 3.409 10 0 EGAELP Brc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)s1 ZINC000665279671 462383020 /nfs/dbraw/zinc/38/30/20/462383020.db2.gz JENOZPVFUCKPCH-JRZRUSQNSA-N 2 2 327.291 3.303 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652148420 462450562 /nfs/dbraw/zinc/45/05/62/462450562.db2.gz YKGYSYLLKVDRSK-WOJBJXKFSA-N 2 2 331.504 3.403 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652148420 462450564 /nfs/dbraw/zinc/45/05/64/462450564.db2.gz YKGYSYLLKVDRSK-WOJBJXKFSA-N 2 2 331.504 3.403 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652225924 462479118 /nfs/dbraw/zinc/47/91/18/462479118.db2.gz IBFRUJZKOGUVSZ-VGSWGCGISA-N 2 2 347.462 3.399 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@H+](CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646106380 462518930 /nfs/dbraw/zinc/51/89/30/462518930.db2.gz WPFQFDNBGHXPFQ-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646106380 462518932 /nfs/dbraw/zinc/51/89/32/462518932.db2.gz WPFQFDNBGHXPFQ-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP CSC1(CNc2[nH+]c(C(C)C)nc3[nH]ccc32)CC[NH+](C)CC1 ZINC000601166125 478700711 /nfs/dbraw/zinc/70/07/11/478700711.db2.gz GSOKOUGOWWBJDT-UHFFFAOYSA-N 2 2 333.505 3.321 10 0 EGAELP Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000092371992 546672962 /nfs/dbraw/zinc/67/29/62/546672962.db2.gz LYOCSJDZVUERIL-UHFFFAOYSA-N 2 2 344.890 3.085 10 0 EGAELP Brc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000156434250 546911419 /nfs/dbraw/zinc/91/14/19/546911419.db2.gz HZMMGSKBIFNNMO-UHFFFAOYSA-N 2 2 332.245 3.166 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000180131998 547053189 /nfs/dbraw/zinc/05/31/89/547053189.db2.gz ZBVPFKAVEVELNX-GOSISDBHSA-N 2 2 349.438 3.438 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000180131998 547053196 /nfs/dbraw/zinc/05/31/96/547053196.db2.gz ZBVPFKAVEVELNX-GOSISDBHSA-N 2 2 349.438 3.438 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000354492095 547707399 /nfs/dbraw/zinc/70/73/99/547707399.db2.gz JBUFCDBMKCGFOD-MRXNPFEDSA-N 2 2 344.503 3.225 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374288996 547805838 /nfs/dbraw/zinc/80/58/38/547805838.db2.gz ULLXKKVLLKVCKU-CVEARBPZSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374288996 547805841 /nfs/dbraw/zinc/80/58/41/547805841.db2.gz ULLXKKVLLKVCKU-CVEARBPZSA-N 2 2 346.519 3.092 10 0 EGAELP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231790 548706980 /nfs/dbraw/zinc/70/69/80/548706980.db2.gz PRYNHAIMPUBEKK-DYESRHJHSA-N 2 2 342.483 3.268 10 0 EGAELP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231790 548706983 /nfs/dbraw/zinc/70/69/83/548706983.db2.gz PRYNHAIMPUBEKK-DYESRHJHSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231790 548706987 /nfs/dbraw/zinc/70/69/87/548706987.db2.gz PRYNHAIMPUBEKK-DYESRHJHSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231790 548706990 /nfs/dbraw/zinc/70/69/90/548706990.db2.gz PRYNHAIMPUBEKK-DYESRHJHSA-N 2 2 342.483 3.268 10 0 EGAELP COc1ccc(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)on2)cc1 ZINC000674372969 548741073 /nfs/dbraw/zinc/74/10/73/548741073.db2.gz NJDCMMZAGUKAJN-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP COc1ccc(-c2cc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)on2)cc1 ZINC000674372969 548741075 /nfs/dbraw/zinc/74/10/75/548741075.db2.gz NJDCMMZAGUKAJN-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744635 548972903 /nfs/dbraw/zinc/97/29/03/548972903.db2.gz QPVZYAAVLQDEHP-SFTDATJTSA-N 2 2 335.495 3.377 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744635 548972907 /nfs/dbraw/zinc/97/29/07/548972907.db2.gz QPVZYAAVLQDEHP-SFTDATJTSA-N 2 2 335.495 3.377 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881176 548996441 /nfs/dbraw/zinc/99/64/41/548996441.db2.gz KGKRMYIZIWYYOL-YJBOKZPZSA-N 2 2 348.535 3.241 10 0 EGAELP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919329 549005391 /nfs/dbraw/zinc/00/53/91/549005391.db2.gz HNWCGMQMPKNHAC-RBUKOAKNSA-N 2 2 327.472 3.499 10 0 EGAELP Cc1noc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000676722037 549137333 /nfs/dbraw/zinc/13/73/33/549137333.db2.gz WHDFYTNSOFBWLY-PBHICJAKSA-N 2 2 325.416 3.283 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851996 576817026 /nfs/dbraw/zinc/81/70/26/576817026.db2.gz UPARYQWURCUCDH-RTBURBONSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851996 576817027 /nfs/dbraw/zinc/81/70/27/576817027.db2.gz UPARYQWURCUCDH-RTBURBONSA-N 2 2 337.552 3.269 10 0 EGAELP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121593732 1293380260 /nfs/dbraw/zinc/38/02/60/1293380260.db2.gz DGNNOCRTGLFIEI-BEFAXECRSA-N 2 2 339.418 3.426 10 0 EGAELP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121593732 1293380266 /nfs/dbraw/zinc/38/02/66/1293380266.db2.gz DGNNOCRTGLFIEI-BEFAXECRSA-N 2 2 339.418 3.426 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000235117839 1296181908 /nfs/dbraw/zinc/18/19/08/1296181908.db2.gz YTYHMIQSQTXMAX-KGLIPLIRSA-N 2 2 325.294 3.454 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C ZINC000872147926 1296768259 /nfs/dbraw/zinc/76/82/59/1296768259.db2.gz LVIOZGNYZVULSV-ZBFHGGJFSA-N 2 2 342.405 3.383 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C ZINC000872147926 1296768269 /nfs/dbraw/zinc/76/82/69/1296768269.db2.gz LVIOZGNYZVULSV-ZBFHGGJFSA-N 2 2 342.405 3.383 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000872150115 1296770576 /nfs/dbraw/zinc/77/05/76/1296770576.db2.gz DLXUHLUOXGBFBA-JSGCOSHPSA-N 2 2 341.402 3.379 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000872150115 1296770584 /nfs/dbraw/zinc/77/05/84/1296770584.db2.gz DLXUHLUOXGBFBA-JSGCOSHPSA-N 2 2 341.402 3.379 10 0 EGAELP c1cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000879734015 1300704062 /nfs/dbraw/zinc/70/40/62/1300704062.db2.gz CJIZCWQKADZSOA-FQEVSTJZSA-N 2 2 344.499 3.100 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092782 1306213603 /nfs/dbraw/zinc/21/36/03/1306213603.db2.gz BKNVUDKCARBQPI-YOEHRIQHSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092782 1306213608 /nfs/dbraw/zinc/21/36/08/1306213608.db2.gz BKNVUDKCARBQPI-YOEHRIQHSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1OC ZINC000894092782 1306213614 /nfs/dbraw/zinc/21/36/14/1306213614.db2.gz BKNVUDKCARBQPI-YOEHRIQHSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1OC ZINC000894092782 1306213621 /nfs/dbraw/zinc/21/36/21/1306213621.db2.gz BKNVUDKCARBQPI-YOEHRIQHSA-N 2 2 348.462 3.292 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H](N(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H]2C1 ZINC000895116022 1309198231 /nfs/dbraw/zinc/19/82/31/1309198231.db2.gz QSEKVSISVMUSMA-TUPNRVOGSA-N 2 2 329.488 3.362 10 0 EGAELP CC[N@@H+](Cc1[nH]c(C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754224 1328688347 /nfs/dbraw/zinc/68/83/47/1328688347.db2.gz LAQRRZXQIQEQQN-UHFFFAOYSA-N 2 2 327.476 3.160 10 0 EGAELP CC[N@H+](Cc1[nH]c(C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754224 1328688352 /nfs/dbraw/zinc/68/83/52/1328688352.db2.gz LAQRRZXQIQEQQN-UHFFFAOYSA-N 2 2 327.476 3.160 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[NH+]1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000929803621 1328704994 /nfs/dbraw/zinc/70/49/94/1328704994.db2.gz KWCIOAVIZZQCOD-UHFFFAOYSA-N 2 2 348.491 3.310 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000929804802 1328705208 /nfs/dbraw/zinc/70/52/08/1328705208.db2.gz YRJLQEYSUDIMLY-UHFFFAOYSA-N 2 2 348.491 3.379 10 0 EGAELP CC[C@@](O)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000929981092 1328756626 /nfs/dbraw/zinc/75/66/26/1328756626.db2.gz GXROZKLVBVVPRI-QGZVFWFLSA-N 2 2 344.421 3.286 10 0 EGAELP CC[C@@](O)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000929981092 1328756629 /nfs/dbraw/zinc/75/66/29/1328756629.db2.gz GXROZKLVBVVPRI-QGZVFWFLSA-N 2 2 344.421 3.286 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532627 1328789913 /nfs/dbraw/zinc/78/99/13/1328789913.db2.gz MAJRXPUOZYPSED-HNAYVOBHSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532627 1328789917 /nfs/dbraw/zinc/78/99/17/1328789917.db2.gz MAJRXPUOZYPSED-HNAYVOBHSA-N 2 2 343.471 3.311 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(C)[nH+]1 ZINC000930478265 1328868267 /nfs/dbraw/zinc/86/82/67/1328868267.db2.gz YYZOWVOJRBLXNV-AXAPSJFSSA-N 2 2 336.480 3.150 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3nc(C(C)(C)C)co3)[nH+]c2)C1 ZINC000921917902 1322423193 /nfs/dbraw/zinc/42/31/93/1322423193.db2.gz SEIZDJXALJERFI-HNNXBMFYSA-N 2 2 343.475 3.120 10 0 EGAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)ccc1-n1cc[nH+]c1 ZINC000922893240 1322643424 /nfs/dbraw/zinc/64/34/24/1322643424.db2.gz TVBOVDLAUPYLCE-LPHOPBHVSA-N 2 2 329.419 3.306 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924659199 1323098596 /nfs/dbraw/zinc/09/85/96/1323098596.db2.gz CVWANLZHLHAJTG-JPLJXNOCSA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924659199 1323098604 /nfs/dbraw/zinc/09/86/04/1323098604.db2.gz CVWANLZHLHAJTG-JPLJXNOCSA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C)n1 ZINC000924767530 1323151856 /nfs/dbraw/zinc/15/18/56/1323151856.db2.gz BFRMTPZXNVYJRO-PXNSSMCTSA-N 2 2 349.482 3.415 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000924805132 1323170366 /nfs/dbraw/zinc/17/03/66/1323170366.db2.gz USKXELABECIGSV-GVDBMIGSSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000924805132 1323170374 /nfs/dbraw/zinc/17/03/74/1323170374.db2.gz USKXELABECIGSV-GVDBMIGSSA-N 2 2 342.405 3.345 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931310098 1329090906 /nfs/dbraw/zinc/09/09/06/1329090906.db2.gz HSTMIJICFWGJJG-OALUTQOASA-N 2 2 347.528 3.234 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925222585 1325085521 /nfs/dbraw/zinc/08/55/21/1325085521.db2.gz RWVOJBZCQMSUBQ-IRXDYDNUSA-N 2 2 347.469 3.257 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925222585 1325085524 /nfs/dbraw/zinc/08/55/24/1325085524.db2.gz RWVOJBZCQMSUBQ-IRXDYDNUSA-N 2 2 347.469 3.257 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925449515 1325154044 /nfs/dbraw/zinc/15/40/44/1325154044.db2.gz JVDFQBDWXHSSMU-QZTJIDSGSA-N 2 2 331.460 3.014 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925449515 1325154053 /nfs/dbraw/zinc/15/40/53/1325154053.db2.gz JVDFQBDWXHSSMU-QZTJIDSGSA-N 2 2 331.460 3.014 10 0 EGAELP CCON1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000925591711 1325224835 /nfs/dbraw/zinc/22/48/35/1325224835.db2.gz CQTIKQOEBPJKHP-FQEVSTJZSA-N 2 2 342.487 3.247 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925595218 1325226200 /nfs/dbraw/zinc/22/62/00/1325226200.db2.gz SIXHYXYNTRTBJP-OZOXKJRCSA-N 2 2 343.515 3.402 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)(F)F ZINC000925777186 1325296861 /nfs/dbraw/zinc/29/68/61/1325296861.db2.gz CASWPVHDBDQZOE-GHMZBOCLSA-N 2 2 338.320 3.481 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1OC(F)F ZINC000925782541 1325301179 /nfs/dbraw/zinc/30/11/79/1325301179.db2.gz MCKMNJJEZRGKFQ-UWVGGRQHSA-N 2 2 338.320 3.323 10 0 EGAELP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000925796976 1325306013 /nfs/dbraw/zinc/30/60/13/1325306013.db2.gz NLAOUPGRTFFBMG-PKOBYXMFSA-N 2 2 344.499 3.265 10 0 EGAELP O=C(NCCCCCC1CC[NH2+]CC1)Nc1ccc2[nH+]ccn2c1 ZINC000926041055 1325400845 /nfs/dbraw/zinc/40/08/45/1325400845.db2.gz CSUYSFRFUVCQJW-UHFFFAOYSA-N 2 2 329.448 3.016 10 0 EGAELP CC(C)CC[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000926743741 1327696346 /nfs/dbraw/zinc/69/63/46/1327696346.db2.gz ZCWFETMRPUVZQP-UHFFFAOYSA-N 2 2 332.414 3.039 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946993 1327789391 /nfs/dbraw/zinc/78/93/91/1327789391.db2.gz BPHXBPFBRDJHQP-CLWVCHIJSA-N 2 2 327.394 3.080 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946993 1327789398 /nfs/dbraw/zinc/78/93/98/1327789398.db2.gz BPHXBPFBRDJHQP-CLWVCHIJSA-N 2 2 327.394 3.080 10 0 EGAELP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000926957199 1327795637 /nfs/dbraw/zinc/79/56/37/1327795637.db2.gz HJGMDKIZYGIIDD-UXHICEINSA-N 2 2 346.515 3.072 10 0 EGAELP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000926957199 1327795643 /nfs/dbraw/zinc/79/56/43/1327795643.db2.gz HJGMDKIZYGIIDD-UXHICEINSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000863984657 1329592935 /nfs/dbraw/zinc/59/29/35/1329592935.db2.gz XULXRVJVRCNNHV-DOTOQJQBSA-N 2 2 344.459 3.127 10 0 EGAELP Fc1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)ccc1-n1cc[nH+]c1 ZINC000865761157 1329736055 /nfs/dbraw/zinc/73/60/55/1329736055.db2.gz KKJUECCKSXYBTO-LPHOPBHVSA-N 2 2 329.419 3.306 10 0 EGAELP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866236516 1330082539 /nfs/dbraw/zinc/08/25/39/1330082539.db2.gz DHTDRFIMGTURMV-AZUAARDMSA-N 2 2 344.430 3.188 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866255689 1330086045 /nfs/dbraw/zinc/08/60/45/1330086045.db2.gz BZUQGQUWGKJSDV-YLJYHZDGSA-N 2 2 341.499 3.256 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866255689 1330086046 /nfs/dbraw/zinc/08/60/46/1330086046.db2.gz BZUQGQUWGKJSDV-YLJYHZDGSA-N 2 2 341.499 3.256 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866705030 1330142798 /nfs/dbraw/zinc/14/27/98/1330142798.db2.gz ZIUMCLFBEAMKTJ-HXUWFJFHSA-N 2 2 331.504 3.247 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866705030 1330142800 /nfs/dbraw/zinc/14/28/00/1330142800.db2.gz ZIUMCLFBEAMKTJ-HXUWFJFHSA-N 2 2 331.504 3.247 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000866707608 1330143654 /nfs/dbraw/zinc/14/36/54/1330143654.db2.gz VCSCRSLWHAOLEK-LJQANCHMSA-N 2 2 330.451 3.208 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000866707608 1330143655 /nfs/dbraw/zinc/14/36/55/1330143655.db2.gz VCSCRSLWHAOLEK-LJQANCHMSA-N 2 2 330.451 3.208 10 0 EGAELP Cc1[nH+]c([C@H](N[C@@H]2CCc3[nH+]ccn3C2)C(F)(F)F)c2ccccn12 ZINC000952877647 1334585963 /nfs/dbraw/zinc/58/59/63/1334585963.db2.gz SSIBYQPSRDDFTN-WBMJQRKESA-N 2 2 349.360 3.047 10 0 EGAELP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001324031067 1387514312 /nfs/dbraw/zinc/51/43/12/1387514312.db2.gz VBQBUHHRRSYHJJ-HXUWFJFHSA-N 2 2 343.515 3.012 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001324067529 1387526438 /nfs/dbraw/zinc/52/64/38/1387526438.db2.gz KAXYTXSLSBDBNM-GOEBONIOSA-N 2 2 328.460 3.192 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324103638 1387542910 /nfs/dbraw/zinc/54/29/10/1387542910.db2.gz PTKMIUZZUVMHCO-WMZOPIPTSA-N 2 2 346.519 3.069 10 0 EGAELP CC[NH+](CC)C1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001325499000 1387993759 /nfs/dbraw/zinc/99/37/59/1387993759.db2.gz QVYYFPBTMZAXFE-UHFFFAOYSA-N 2 2 339.524 3.098 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899096 1388072938 /nfs/dbraw/zinc/07/29/38/1388072938.db2.gz KGVCJIPZFAAZAK-WFRZBGSESA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899096 1388072945 /nfs/dbraw/zinc/07/29/45/1388072945.db2.gz KGVCJIPZFAAZAK-WFRZBGSESA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899096 1388072951 /nfs/dbraw/zinc/07/29/51/1388072951.db2.gz KGVCJIPZFAAZAK-WFRZBGSESA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899096 1388072955 /nfs/dbraw/zinc/07/29/55/1388072955.db2.gz KGVCJIPZFAAZAK-WFRZBGSESA-N 2 2 344.503 3.154 10 0 EGAELP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001326458058 1388197170 /nfs/dbraw/zinc/19/71/70/1388197170.db2.gz JJRLSTNAEDJGPD-LJQANCHMSA-N 2 2 342.487 3.238 10 0 EGAELP CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001326458058 1388197175 /nfs/dbraw/zinc/19/71/75/1388197175.db2.gz JJRLSTNAEDJGPD-LJQANCHMSA-N 2 2 342.487 3.238 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325944 1377273854 /nfs/dbraw/zinc/27/38/54/1377273854.db2.gz VFJAQYMCFKFNBQ-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325944 1377273856 /nfs/dbraw/zinc/27/38/56/1377273856.db2.gz VFJAQYMCFKFNBQ-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001268420338 1377508016 /nfs/dbraw/zinc/50/80/16/1377508016.db2.gz WRDFAFSJIQVVNL-HNNXBMFYSA-N 2 2 334.508 3.106 10 0 EGAELP CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001268951802 1377532724 /nfs/dbraw/zinc/53/27/24/1377532724.db2.gz FUYWWSNWWNEACQ-BZSNNMDCSA-N 2 2 346.519 3.192 10 0 EGAELP O=C(N[C@H](C[NH2+]CCCC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001269085586 1377537920 /nfs/dbraw/zinc/53/79/20/1377537920.db2.gz VNJDIUAUJLZKPD-LJQANCHMSA-N 2 2 340.471 3.241 10 0 EGAELP CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001269755881 1377569612 /nfs/dbraw/zinc/56/96/12/1377569612.db2.gz QKVNGHYGDZKXBZ-KRWDZBQOSA-N 2 2 340.471 3.114 10 0 EGAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001283723824 1379145931 /nfs/dbraw/zinc/14/59/31/1379145931.db2.gz MCTXRXBEYGWSIH-AOCRQIFASA-N 2 2 348.535 3.172 10 0 EGAELP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)c1 ZINC001152320737 1379908444 /nfs/dbraw/zinc/90/84/44/1379908444.db2.gz YYEHBQQOAXRULZ-GASCZTMLSA-N 2 2 339.443 3.152 10 0 EGAELP C[C@@H](CC(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001328028161 1388648858 /nfs/dbraw/zinc/64/88/58/1388648858.db2.gz BGQBBHJVWYDVBN-KRWDZBQOSA-N 2 2 346.519 3.385 10 0 EGAELP CCCCOCC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001284780867 1380203788 /nfs/dbraw/zinc/20/37/88/1380203788.db2.gz GAXNVLQJOOHYIY-UHFFFAOYSA-N 2 2 347.503 3.016 10 0 EGAELP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC001328414487 1388741290 /nfs/dbraw/zinc/74/12/90/1388741290.db2.gz PTSKHTOCZONFMM-GJZGRUSLSA-N 2 2 348.878 3.172 10 0 EGAELP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001290588840 1382099026 /nfs/dbraw/zinc/09/90/26/1382099026.db2.gz ITBHIHYOPJETHG-LJQANCHMSA-N 2 2 329.488 3.484 10 0 EGAELP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001290588840 1382099031 /nfs/dbraw/zinc/09/90/31/1382099031.db2.gz ITBHIHYOPJETHG-LJQANCHMSA-N 2 2 329.488 3.484 10 0 EGAELP CC[NH+]1CC[C@@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001290588840 1382099037 /nfs/dbraw/zinc/09/90/37/1382099037.db2.gz ITBHIHYOPJETHG-LJQANCHMSA-N 2 2 329.488 3.484 10 0 EGAELP CC[NH+]1CC[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001290588840 1382099042 /nfs/dbraw/zinc/09/90/42/1382099042.db2.gz ITBHIHYOPJETHG-LJQANCHMSA-N 2 2 329.488 3.484 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001168849409 1384033486 /nfs/dbraw/zinc/03/34/86/1384033486.db2.gz ZVKZXDFBJKYKIT-ZWKOTPCHSA-N 2 2 331.504 3.272 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001168849409 1384033492 /nfs/dbraw/zinc/03/34/92/1384033492.db2.gz ZVKZXDFBJKYKIT-ZWKOTPCHSA-N 2 2 331.504 3.272 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001316668433 1384512541 /nfs/dbraw/zinc/51/25/41/1384512541.db2.gz FRFPBMZGYKNUCJ-KRWDZBQOSA-N 2 2 346.519 3.236 10 0 EGAELP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316879037 1384664083 /nfs/dbraw/zinc/66/40/83/1384664083.db2.gz KNADILADDKZRSD-IEBWSBKVSA-N 2 2 346.519 3.213 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317154858 1384920076 /nfs/dbraw/zinc/92/00/76/1384920076.db2.gz XREDLIATMFRKAS-MJSXRHKHSA-N 2 2 340.471 3.361 10 0 EGAELP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329071940 1388954274 /nfs/dbraw/zinc/95/42/74/1388954274.db2.gz XFDZJSXVSCFUDG-KGLIPLIRSA-N 2 2 326.444 3.160 10 0 EGAELP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001317195475 1384969649 /nfs/dbraw/zinc/96/96/49/1384969649.db2.gz QJPAFVPCJORSQT-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317685793 1385396692 /nfs/dbraw/zinc/39/66/92/1385396692.db2.gz IPSGKKYZWPHZSS-WWXOQWLVSA-N 2 2 344.503 3.086 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317685793 1385396697 /nfs/dbraw/zinc/39/66/97/1385396697.db2.gz 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ZINC001701006165 1414661591 /nfs/dbraw/zinc/66/15/91/1414661591.db2.gz BHXOLRZFSSVLIC-IAGOWNOFSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CCCC2)CC1 ZINC001701012691 1414674034 /nfs/dbraw/zinc/67/40/34/1414674034.db2.gz OCBKUQDWUXMNSQ-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001732607648 1428863849 /nfs/dbraw/zinc/86/38/49/1428863849.db2.gz LFGGSOGBLUNNBL-QZTJIDSGSA-N 2 2 346.519 3.040 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001732607648 1428863856 /nfs/dbraw/zinc/86/38/56/1428863856.db2.gz LFGGSOGBLUNNBL-QZTJIDSGSA-N 2 2 346.519 3.040 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001732972061 1429097609 /nfs/dbraw/zinc/09/76/09/1429097609.db2.gz JZIPZIGYHJBCSL-SJORKVTESA-N 2 2 342.487 3.252 10 0 EGAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001707054346 1417168496 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348.878 3.113 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001707417989 1417326251 /nfs/dbraw/zinc/32/62/51/1417326251.db2.gz AMAQPJSBCOKGJW-AWEZNQCLSA-N 2 2 348.878 3.113 10 0 EGAELP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712999489 1417552465 /nfs/dbraw/zinc/55/24/65/1417552465.db2.gz MSOATZXAPXKQDE-CVEARBPZSA-N 2 2 328.460 3.107 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001713136154 1417716880 /nfs/dbraw/zinc/71/68/80/1417716880.db2.gz ZCMGHQGULJONIB-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001713136154 1417716881 /nfs/dbraw/zinc/71/68/81/1417716881.db2.gz ZCMGHQGULJONIB-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001713136154 1417716884 /nfs/dbraw/zinc/71/68/84/1417716884.db2.gz ZCMGHQGULJONIB-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP 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CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713779634 1418595652 /nfs/dbraw/zinc/59/56/52/1418595652.db2.gz FWJKFWKBKUUWEV-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713779634 1418595653 /nfs/dbraw/zinc/59/56/53/1418595653.db2.gz FWJKFWKBKUUWEV-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001713873548 1418669478 /nfs/dbraw/zinc/66/94/78/1418669478.db2.gz PJEFFMBGUVRPID-MRXNPFEDSA-N 2 2 331.504 3.012 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001713873548 1418669481 /nfs/dbraw/zinc/66/94/81/1418669481.db2.gz PJEFFMBGUVRPID-MRXNPFEDSA-N 2 2 331.504 3.012 10 0 EGAELP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714071569 1418866950 /nfs/dbraw/zinc/86/69/50/1418866950.db2.gz QTIWWJBPLOKPIF-QZTJIDSGSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)=CC[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@H]1C ZINC001714186012 1418993360 /nfs/dbraw/zinc/99/33/60/1418993360.db2.gz KTBPIQPUVQJDKC-QUCCMNQESA-N 2 2 346.519 3.284 10 0 EGAELP CCCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714208312 1419009398 /nfs/dbraw/zinc/00/93/98/1419009398.db2.gz GBDOVVGZFYFILX-QGZVFWFLSA-N 2 2 342.487 3.275 10 0 EGAELP CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1[NH2+]CC=C(C)C ZINC001733198208 1429300827 /nfs/dbraw/zinc/30/08/27/1429300827.db2.gz HWHNSTZJWNMXAH-SJORKVTESA-N 2 2 340.471 3.131 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714403542 1419145802 /nfs/dbraw/zinc/14/58/02/1419145802.db2.gz OHVUDJNXSZGKMQ-IBQUMJASSA-N 2 2 346.519 3.300 10 0 EGAELP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001714495888 1419220186 /nfs/dbraw/zinc/22/01/86/1419220186.db2.gz LAJUVEUJFJIVHG-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP CN(CC[NH2+]CCC1CCCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001714779358 1419504982 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ZFSRLGSJUUMIQR-VQIMIIECSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001715233894 1419965435 /nfs/dbraw/zinc/96/54/35/1419965435.db2.gz MFFQOXLGJPBBCI-NVXWUHKLSA-N 2 2 342.487 3.062 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001715233894 1419965437 /nfs/dbraw/zinc/96/54/37/1419965437.db2.gz MFFQOXLGJPBBCI-NVXWUHKLSA-N 2 2 342.487 3.062 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001715400694 1420099197 /nfs/dbraw/zinc/09/91/97/1420099197.db2.gz CNDVFBPCWJVWFA-VQIMIIECSA-N 2 2 346.519 3.209 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001715400694 1420099200 /nfs/dbraw/zinc/09/92/00/1420099200.db2.gz CNDVFBPCWJVWFA-VQIMIIECSA-N 2 2 346.519 3.209 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)cc1 ZINC001715660931 1420283519 /nfs/dbraw/zinc/28/35/19/1420283519.db2.gz MURTYQMSILIZRR-HKUYNNGSSA-N 2 2 342.487 3.073 10 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1420911850 /nfs/dbraw/zinc/91/18/50/1420911850.db2.gz RFFVVPGFQAZJNQ-JKSUJKDBSA-N 2 2 342.487 3.353 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716975932 1421059320 /nfs/dbraw/zinc/05/93/20/1421059320.db2.gz UYZHMFHZPMWKOV-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197140 1421163647 /nfs/dbraw/zinc/16/36/47/1421163647.db2.gz UEAAIWCVUNWUND-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197140 1421163648 /nfs/dbraw/zinc/16/36/48/1421163648.db2.gz UEAAIWCVUNWUND-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717197140 1421163649 /nfs/dbraw/zinc/16/36/49/1421163649.db2.gz UEAAIWCVUNWUND-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717197140 1421163650 /nfs/dbraw/zinc/16/36/50/1421163650.db2.gz UEAAIWCVUNWUND-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001717215855 1421194035 /nfs/dbraw/zinc/19/40/35/1421194035.db2.gz ZDFBUFPUTQIGSI-BGYRXZFFSA-N 2 2 347.547 3.282 10 0 EGAELP CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001717215855 1421194037 /nfs/dbraw/zinc/19/40/37/1421194037.db2.gz ZDFBUFPUTQIGSI-BGYRXZFFSA-N 2 2 347.547 3.282 10 0 EGAELP CCCCC[N@@H+]1Cc2ccc(CNC(=O)CCn3cc[nH+]c3)cc2C1 ZINC001717270229 1421226525 /nfs/dbraw/zinc/22/65/25/1421226525.db2.gz QTGMPFNUTNCXSK-UHFFFAOYSA-N 2 2 340.471 3.095 10 0 EGAELP CCCCC[N@H+]1Cc2ccc(CNC(=O)CCn3cc[nH+]c3)cc2C1 ZINC001717270229 1421226526 /nfs/dbraw/zinc/22/65/26/1421226526.db2.gz QTGMPFNUTNCXSK-UHFFFAOYSA-N 2 2 340.471 3.095 10 0 EGAELP C[C@H]1CCC[C@@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001717456853 1421386076 /nfs/dbraw/zinc/38/60/76/1421386076.db2.gz NBVDBUZMQWEZIE-IRXDYDNUSA-N 2 2 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ZINC001717640959 1421546310 /nfs/dbraw/zinc/54/63/10/1421546310.db2.gz QAJDMOBFLQNVLB-RGYVUNAGSA-N 2 2 340.471 3.097 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717653537 1421552440 /nfs/dbraw/zinc/55/24/40/1421552440.db2.gz FPGDTFUINYTOJI-WGSAOQKQSA-N 2 2 346.519 3.118 10 0 EGAELP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001717685691 1421565583 /nfs/dbraw/zinc/56/55/83/1421565583.db2.gz PGWZSVSZUCVHHK-KBPBESRZSA-N 2 2 348.878 3.241 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001717684921 1421565606 /nfs/dbraw/zinc/56/56/06/1421565606.db2.gz FTGJSUWLIRAAHE-IRXDYDNUSA-N 2 2 342.487 3.205 10 0 EGAELP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733307316 1429491587 /nfs/dbraw/zinc/49/15/87/1429491587.db2.gz REBVFGXUWVHDNM-GOSISDBHSA-N 2 2 334.508 3.049 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884151 1421687427 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CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001723617580 1424494939 /nfs/dbraw/zinc/49/49/39/1424494939.db2.gz OHWZUHUXWRMEIB-YQQQUEKLSA-N 2 2 346.519 3.280 10 0 EGAELP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001723617580 1424494942 /nfs/dbraw/zinc/49/49/42/1424494942.db2.gz OHWZUHUXWRMEIB-YQQQUEKLSA-N 2 2 346.519 3.280 10 0 EGAELP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001723646816 1424510368 /nfs/dbraw/zinc/51/03/68/1424510368.db2.gz BILRBXANOHEBNK-MRXNPFEDSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001723646816 1424510372 /nfs/dbraw/zinc/51/03/72/1424510372.db2.gz BILRBXANOHEBNK-MRXNPFEDSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001723646816 1424510375 /nfs/dbraw/zinc/51/03/75/1424510375.db2.gz BILRBXANOHEBNK-MRXNPFEDSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001723646816 1424510379 /nfs/dbraw/zinc/51/03/79/1424510379.db2.gz BILRBXANOHEBNK-MRXNPFEDSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001723855406 1424586017 /nfs/dbraw/zinc/58/60/17/1424586017.db2.gz GGFLSRYEUIWYIQ-GDBMZVCRSA-N 2 2 326.444 3.112 10 0 EGAELP CC1(C)C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001724980664 1425383408 /nfs/dbraw/zinc/38/34/08/1425383408.db2.gz YKEOLVAKHSJJAK-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001724980664 1425383414 /nfs/dbraw/zinc/38/34/14/1425383414.db2.gz YKEOLVAKHSJJAK-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001725052289 1425484984 /nfs/dbraw/zinc/48/49/84/1425484984.db2.gz HAKKXQBQEGUYRK-GOSISDBHSA-N 2 2 344.503 3.074 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001725052289 1425484990 /nfs/dbraw/zinc/48/49/90/1425484990.db2.gz HAKKXQBQEGUYRK-GOSISDBHSA-N 2 2 344.503 3.074 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725051950 1425485616 /nfs/dbraw/zinc/48/56/16/1425485616.db2.gz FBNONWPSOUGIOF-MRXNPFEDSA-N 2 2 334.508 3.046 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725051950 1425485619 /nfs/dbraw/zinc/48/56/19/1425485619.db2.gz FBNONWPSOUGIOF-MRXNPFEDSA-N 2 2 334.508 3.046 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199336 1425755628 /nfs/dbraw/zinc/75/56/28/1425755628.db2.gz BERBXPGJLVXVPV-RHSMWYFYSA-N 2 2 348.878 3.124 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199336 1425755630 /nfs/dbraw/zinc/75/56/30/1425755630.db2.gz BERBXPGJLVXVPV-RHSMWYFYSA-N 2 2 348.878 3.124 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725242519 1425851176 /nfs/dbraw/zinc/85/11/76/1425851176.db2.gz OUCGIPCMFDAOKP-IEBWSBKVSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725242519 1425851182 /nfs/dbraw/zinc/85/11/82/1425851182.db2.gz OUCGIPCMFDAOKP-IEBWSBKVSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725242519 1425851193 /nfs/dbraw/zinc/85/11/93/1425851193.db2.gz OUCGIPCMFDAOKP-IEBWSBKVSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725242519 1425851197 /nfs/dbraw/zinc/85/11/97/1425851197.db2.gz OUCGIPCMFDAOKP-IEBWSBKVSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001725558038 1426223342 /nfs/dbraw/zinc/22/33/42/1426223342.db2.gz IVSQDDSUAPUPGY-CVEARBPZSA-N 2 2 342.487 3.353 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612383 1426272358 /nfs/dbraw/zinc/27/23/58/1426272358.db2.gz VYMFCFCNDKVVOR-OXFYSEKESA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612383 1426272362 /nfs/dbraw/zinc/27/23/62/1426272362.db2.gz VYMFCFCNDKVVOR-OXFYSEKESA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612383 1426272364 /nfs/dbraw/zinc/27/23/64/1426272364.db2.gz VYMFCFCNDKVVOR-OXFYSEKESA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612383 1426272367 /nfs/dbraw/zinc/27/23/67/1426272367.db2.gz VYMFCFCNDKVVOR-OXFYSEKESA-N 2 2 346.519 3.138 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001725657782 1426339910 /nfs/dbraw/zinc/33/99/10/1426339910.db2.gz BDAQGWBJHJXEKF-KEGWNNHHSA-N 2 2 340.471 3.131 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733640 1426406887 /nfs/dbraw/zinc/40/68/87/1426406887.db2.gz RCYOZEQXFHXVRU-HNNXBMFYSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733640 1426406889 /nfs/dbraw/zinc/40/68/89/1426406889.db2.gz RCYOZEQXFHXVRU-HNNXBMFYSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001725798349 1426482481 /nfs/dbraw/zinc/48/24/81/1426482481.db2.gz XCTCCOMXQQBQGV-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001731354111 1427294003 /nfs/dbraw/zinc/29/40/03/1427294003.db2.gz ZMEAOOJXKMNJPZ-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001731354111 1427294008 /nfs/dbraw/zinc/29/40/08/1427294008.db2.gz ZMEAOOJXKMNJPZ-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731424324 1427405018 /nfs/dbraw/zinc/40/50/18/1427405018.db2.gz IRUPSDYHPBGQLE-LJQANCHMSA-N 2 2 346.519 3.024 10 0 EGAELP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731424324 1427405021 /nfs/dbraw/zinc/40/50/21/1427405021.db2.gz IRUPSDYHPBGQLE-LJQANCHMSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502908 1427485044 /nfs/dbraw/zinc/48/50/44/1427485044.db2.gz KZUYIUZHIBBWRT-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502908 1427485046 /nfs/dbraw/zinc/48/50/46/1427485046.db2.gz KZUYIUZHIBBWRT-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]CC2CCCCC2)CC1)C1CC1 ZINC001733579351 1429783383 /nfs/dbraw/zinc/78/33/83/1429783383.db2.gz TXBTVQOTQPBRTL-ICFOKQHNSA-N 2 2 347.547 3.093 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760761 1429975532 /nfs/dbraw/zinc/97/55/32/1429975532.db2.gz MNXPXCHZXYRKBS-RBUKOAKNSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760761 1429975534 /nfs/dbraw/zinc/97/55/34/1429975534.db2.gz MNXPXCHZXYRKBS-RBUKOAKNSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001733986774 1437782845 /nfs/dbraw/zinc/78/28/45/1437782845.db2.gz YLHLGCWRFSQLMG-LSDHHAIUSA-N 2 2 345.512 3.407 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001734106985 1437893399 /nfs/dbraw/zinc/89/33/99/1437893399.db2.gz SIIWERWLORZEDX-GOSISDBHSA-N 2 2 348.535 3.460 10 0 EGAELP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001734106985 1437893400 /nfs/dbraw/zinc/89/34/00/1437893400.db2.gz SIIWERWLORZEDX-GOSISDBHSA-N 2 2 348.535 3.460 10 0 EGAELP CCC[NH+]1CCC(C2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001734607640 1438186736 /nfs/dbraw/zinc/18/67/36/1438186736.db2.gz ZIFUFKHUQPXFHV-GOSISDBHSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944117 1440117443 /nfs/dbraw/zinc/11/74/43/1440117443.db2.gz FBVHOKUSMPCVNB-ROUUACIJSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944117 1440117444 /nfs/dbraw/zinc/11/74/44/1440117444.db2.gz FBVHOKUSMPCVNB-ROUUACIJSA-N 2 2 348.535 3.172 10 0 EGAELP Clc1ccccc1CN1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368096793 168310410 /nfs/dbraw/zinc/31/04/10/168310410.db2.gz CACNIQXKODSVSY-INIZCTEOSA-N 2 2 344.890 3.175 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368103029 168311348 /nfs/dbraw/zinc/31/13/48/168311348.db2.gz ROGOSNUXIRSRTB-JSGCOSHPSA-N 2 2 343.427 3.012 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368103029 168311350 /nfs/dbraw/zinc/31/13/50/168311350.db2.gz ROGOSNUXIRSRTB-JSGCOSHPSA-N 2 2 343.427 3.012 10 0 EGAELP C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)[N@H+](C)CC1CCOCC1 ZINC000104199652 219359254 /nfs/dbraw/zinc/35/92/54/219359254.db2.gz JIAFYDNPBMPFBA-YGRLFVJLSA-N 2 2 347.322 3.257 10 0 EGAELP C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)[N@@H+](C)CC1CCOCC1 ZINC000104199652 219359258 /nfs/dbraw/zinc/35/92/58/219359258.db2.gz JIAFYDNPBMPFBA-YGRLFVJLSA-N 2 2 347.322 3.257 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150314 314365577 /nfs/dbraw/zinc/36/55/77/314365577.db2.gz IFVYNPGGULPSKQ-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150314 314365580 /nfs/dbraw/zinc/36/55/80/314365580.db2.gz IFVYNPGGULPSKQ-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000221855550 201033338 /nfs/dbraw/zinc/03/33/38/201033338.db2.gz ULJNQYKYNNPXTB-QFBILLFUSA-N 2 2 338.451 3.383 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000221855550 201033342 /nfs/dbraw/zinc/03/33/42/201033342.db2.gz ULJNQYKYNNPXTB-QFBILLFUSA-N 2 2 338.451 3.383 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000230047358 201043912 /nfs/dbraw/zinc/04/39/12/201043912.db2.gz NGAABMPDSIIZBZ-TYNCELHUSA-N 2 2 327.241 3.147 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000230047358 201043916 /nfs/dbraw/zinc/04/39/16/201043916.db2.gz NGAABMPDSIIZBZ-TYNCELHUSA-N 2 2 327.241 3.147 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000275415915 201281716 /nfs/dbraw/zinc/28/17/16/201281716.db2.gz DGXHGZDRCMMVKB-LPHOPBHVSA-N 2 2 341.455 3.144 10 0 EGAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000289413873 201337195 /nfs/dbraw/zinc/33/71/95/201337195.db2.gz ANWNPNSHSBXTMI-IBGZPJMESA-N 2 2 341.503 3.251 10 0 EGAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000289413873 201337198 /nfs/dbraw/zinc/33/71/98/201337198.db2.gz ANWNPNSHSBXTMI-IBGZPJMESA-N 2 2 341.503 3.251 10 0 EGAELP Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000070451663 203076026 /nfs/dbraw/zinc/07/60/26/203076026.db2.gz DIWMGVSIWRGTFP-UHFFFAOYSA-N 2 2 336.361 3.189 10 0 EGAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042615373 204117024 /nfs/dbraw/zinc/11/70/24/204117024.db2.gz GGMZSWUQFDMZBP-PWSUYJOCSA-N 2 2 347.322 3.257 10 0 EGAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042615373 204117027 /nfs/dbraw/zinc/11/70/27/204117027.db2.gz GGMZSWUQFDMZBP-PWSUYJOCSA-N 2 2 347.322 3.257 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000106215592 204187976 /nfs/dbraw/zinc/18/79/76/204187976.db2.gz HHGJMBFSRZGESQ-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000106215592 204187979 /nfs/dbraw/zinc/18/79/79/204187979.db2.gz HHGJMBFSRZGESQ-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC000126038902 205037283 /nfs/dbraw/zinc/03/72/83/205037283.db2.gz YHSYVULKLWKQDL-IAGOWNOFSA-N 2 2 338.411 3.087 10 0 EGAELP CCCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377397802 169019594 /nfs/dbraw/zinc/01/95/94/169019594.db2.gz HURHUNILXNKBKP-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CCCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377397802 169019595 /nfs/dbraw/zinc/01/95/95/169019595.db2.gz HURHUNILXNKBKP-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000174772934 207056689 /nfs/dbraw/zinc/05/66/89/207056689.db2.gz DTZMFRLPUDNLFI-GJYPPUQNSA-N 2 2 349.494 3.007 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000174772934 207056693 /nfs/dbraw/zinc/05/66/93/207056693.db2.gz DTZMFRLPUDNLFI-GJYPPUQNSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000174772934 207056695 /nfs/dbraw/zinc/05/66/95/207056695.db2.gz DTZMFRLPUDNLFI-GJYPPUQNSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000174772934 207056698 /nfs/dbraw/zinc/05/66/98/207056698.db2.gz DTZMFRLPUDNLFI-GJYPPUQNSA-N 2 2 349.494 3.007 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000175202513 207103980 /nfs/dbraw/zinc/10/39/80/207103980.db2.gz MFPVWHDYNJSBSQ-UKRRQHHQSA-N 2 2 334.489 3.447 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000175202513 207103985 /nfs/dbraw/zinc/10/39/85/207103985.db2.gz MFPVWHDYNJSBSQ-UKRRQHHQSA-N 2 2 334.489 3.447 10 0 EGAELP C[N@H+](CCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655027 258018442 /nfs/dbraw/zinc/01/84/42/258018442.db2.gz XYYSERUKXKLBLN-FPOVZHCZSA-N 2 2 339.483 3.475 10 0 EGAELP C[N@@H+](CCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655027 258018444 /nfs/dbraw/zinc/01/84/44/258018444.db2.gz XYYSERUKXKLBLN-FPOVZHCZSA-N 2 2 339.483 3.475 10 0 EGAELP C[NH+](CCCOc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328655027 258018446 /nfs/dbraw/zinc/01/84/46/258018446.db2.gz XYYSERUKXKLBLN-FPOVZHCZSA-N 2 2 339.483 3.475 10 0 EGAELP C[NH+](CCCOc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328655027 258018448 /nfs/dbraw/zinc/01/84/48/258018448.db2.gz XYYSERUKXKLBLN-FPOVZHCZSA-N 2 2 339.483 3.475 10 0 EGAELP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000328653551 258020561 /nfs/dbraw/zinc/02/05/61/258020561.db2.gz WXJQPBWNINCWRB-YJBOKZPZSA-N 2 2 330.501 3.444 10 0 EGAELP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000328653551 258020563 /nfs/dbraw/zinc/02/05/63/258020563.db2.gz WXJQPBWNINCWRB-YJBOKZPZSA-N 2 2 330.501 3.444 10 0 EGAELP C[C@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246834537 141037283 /nfs/dbraw/zinc/03/72/83/141037283.db2.gz AISOOMKBOODSLT-DOTOQJQBSA-N 2 2 337.427 3.059 10 0 EGAELP C[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246834537 141037286 /nfs/dbraw/zinc/03/72/86/141037286.db2.gz AISOOMKBOODSLT-DOTOQJQBSA-N 2 2 337.427 3.059 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000246875544 141040720 /nfs/dbraw/zinc/04/07/20/141040720.db2.gz FRHDWVFBRHTIBZ-DYESRHJHSA-N 2 2 349.478 3.358 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000246875544 141040722 /nfs/dbraw/zinc/04/07/22/141040722.db2.gz FRHDWVFBRHTIBZ-DYESRHJHSA-N 2 2 349.478 3.358 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000344524867 141168886 /nfs/dbraw/zinc/16/88/86/141168886.db2.gz HKPPNZMBNCLPFF-CJNGLKHVSA-N 2 2 348.468 3.300 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000344524867 141168887 /nfs/dbraw/zinc/16/88/87/141168887.db2.gz HKPPNZMBNCLPFF-CJNGLKHVSA-N 2 2 348.468 3.300 10 0 EGAELP CC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CN1C(C)=O ZINC000346190217 141177091 /nfs/dbraw/zinc/17/70/91/141177091.db2.gz AVGYIIUATQJWJT-HOTGVXAUSA-N 2 2 346.500 3.155 10 0 EGAELP CC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CN1C(C)=O ZINC000346190217 141177092 /nfs/dbraw/zinc/17/70/92/141177092.db2.gz AVGYIIUATQJWJT-HOTGVXAUSA-N 2 2 346.500 3.155 10 0 EGAELP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000350731361 141263591 /nfs/dbraw/zinc/26/35/91/141263591.db2.gz YXYXSTTZWROXBH-UHFFFAOYSA-N 2 2 325.460 3.156 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1(C(=O)OC)CCC1 ZINC000353333965 141289356 /nfs/dbraw/zinc/28/93/56/141289356.db2.gz DUOYXSCWKYNAHB-SFHVURJKSA-N 2 2 341.455 3.143 10 0 EGAELP CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647690 144009124 /nfs/dbraw/zinc/00/91/24/144009124.db2.gz NDRGPRBMSXDGPP-KRWDZBQOSA-N 2 2 338.455 3.017 10 0 EGAELP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647690 144009125 /nfs/dbraw/zinc/00/91/25/144009125.db2.gz NDRGPRBMSXDGPP-KRWDZBQOSA-N 2 2 338.455 3.017 10 0 EGAELP CCOC(=O)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361701037 144351349 /nfs/dbraw/zinc/35/13/49/144351349.db2.gz FQDWNTDPRNYCCB-UHFFFAOYSA-N 2 2 341.455 3.346 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000364073091 144389810 /nfs/dbraw/zinc/38/98/10/144389810.db2.gz QGCNLXAKZHYBGP-ZDUSSCGKSA-N 2 2 346.519 3.063 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000364073091 144389811 /nfs/dbraw/zinc/38/98/11/144389811.db2.gz QGCNLXAKZHYBGP-ZDUSSCGKSA-N 2 2 346.519 3.063 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343355 292256656 /nfs/dbraw/zinc/25/66/56/292256656.db2.gz GYGMNAAYEFJSFR-HBFSDRIKSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343355 292256660 /nfs/dbraw/zinc/25/66/60/292256660.db2.gz GYGMNAAYEFJSFR-HBFSDRIKSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343355 292256661 /nfs/dbraw/zinc/25/66/61/292256661.db2.gz GYGMNAAYEFJSFR-HBFSDRIKSA-N 2 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343355 292256662 /nfs/dbraw/zinc/25/66/62/292256662.db2.gz GYGMNAAYEFJSFR-HBFSDRIKSA-N 2 2 326.488 3.314 10 0 EGAELP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1SC(F)(F)F ZINC000193639418 153299502 /nfs/dbraw/zinc/29/95/02/153299502.db2.gz LRZZAEZVUIFLSK-BETUJISGSA-N 2 2 346.418 3.301 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1SC(F)(F)F ZINC000193639418 153299506 /nfs/dbraw/zinc/29/95/06/153299506.db2.gz LRZZAEZVUIFLSK-BETUJISGSA-N 2 2 346.418 3.301 10 0 EGAELP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1SC(F)(F)F ZINC000193639418 153299510 /nfs/dbraw/zinc/29/95/10/153299510.db2.gz LRZZAEZVUIFLSK-BETUJISGSA-N 2 2 346.418 3.301 10 0 EGAELP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1SC(F)(F)F ZINC000193639418 153299515 /nfs/dbraw/zinc/29/95/15/153299515.db2.gz LRZZAEZVUIFLSK-BETUJISGSA-N 2 2 346.418 3.301 10 0 EGAELP CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000336877853 154227734 /nfs/dbraw/zinc/22/77/34/154227734.db2.gz XYVKRANSDDQTQD-UHFFFAOYSA-N 2 2 331.504 3.115 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504054 154387271 /nfs/dbraw/zinc/38/72/71/154387271.db2.gz XUARNFBTCUBYSL-IRXDYDNUSA-N 2 2 346.519 3.094 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504054 154387273 /nfs/dbraw/zinc/38/72/73/154387273.db2.gz XUARNFBTCUBYSL-IRXDYDNUSA-N 2 2 346.519 3.094 10 0 EGAELP COC(=O)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000348897501 156278643 /nfs/dbraw/zinc/27/86/43/156278643.db2.gz VJDXPOUPENJXIE-UHFFFAOYSA-N 2 2 327.409 3.010 10 0 EGAELP CC(C)Oc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754206 162112609 /nfs/dbraw/zinc/11/26/09/162112609.db2.gz DFYJDLMMGAKSFA-FQEVSTJZSA-N 2 2 345.531 3.076 10 0 EGAELP CC(C)Oc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754206 162112615 /nfs/dbraw/zinc/11/26/15/162112615.db2.gz DFYJDLMMGAKSFA-FQEVSTJZSA-N 2 2 345.531 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000112080710 162162166 /nfs/dbraw/zinc/16/21/66/162162166.db2.gz XIVWHLSQBJXPLD-QGZVFWFLSA-N 2 2 348.454 3.447 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000112080712 162163034 /nfs/dbraw/zinc/16/30/34/162163034.db2.gz XIVWHLSQBJXPLD-KRWDZBQOSA-N 2 2 348.454 3.447 10 0 EGAELP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248585182 163017184 /nfs/dbraw/zinc/01/71/84/163017184.db2.gz XIBMSTOLRDDUDM-CSMYWGQOSA-N 2 2 337.826 3.292 10 0 EGAELP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248585182 163017187 /nfs/dbraw/zinc/01/71/87/163017187.db2.gz XIBMSTOLRDDUDM-CSMYWGQOSA-N 2 2 337.826 3.292 10 0 EGAELP CC[N@H+](CCC[C@H](C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354742677 166021950 /nfs/dbraw/zinc/02/19/50/166021950.db2.gz YUWHHGUUAUBJML-KRWDZBQOSA-N 2 2 348.535 3.360 10 0 EGAELP CC[N@@H+](CCC[C@H](C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354742677 166021952 /nfs/dbraw/zinc/02/19/52/166021952.db2.gz YUWHHGUUAUBJML-KRWDZBQOSA-N 2 2 348.535 3.360 10 0 EGAELP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C(C)(C)C)no1 ZINC000344219897 164129158 /nfs/dbraw/zinc/12/91/58/164129158.db2.gz YDPIURWYQWLINO-NSHDSACASA-N 2 2 331.445 3.465 10 0 EGAELP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000345884560 164287012 /nfs/dbraw/zinc/28/70/12/164287012.db2.gz LHMYPLNTOSGKEJ-UHFFFAOYSA-N 2 2 328.460 3.061 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346152863 164351288 /nfs/dbraw/zinc/35/12/88/164351288.db2.gz OWWCMYCBMOXNOC-UHFFFAOYSA-N 2 2 340.452 3.313 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346152863 164351289 /nfs/dbraw/zinc/35/12/89/164351289.db2.gz OWWCMYCBMOXNOC-UHFFFAOYSA-N 2 2 340.452 3.313 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000346158827 164353000 /nfs/dbraw/zinc/35/30/00/164353000.db2.gz ANNTUDFBEWTEQV-UHFFFAOYSA-N 2 2 346.438 3.094 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1nc2ccccc2n1C ZINC000346158827 164353001 /nfs/dbraw/zinc/35/30/01/164353001.db2.gz ANNTUDFBEWTEQV-UHFFFAOYSA-N 2 2 346.438 3.094 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000346169367 164355535 /nfs/dbraw/zinc/35/55/35/164355535.db2.gz JFAWEBQLYHDAIP-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000346169367 164355536 /nfs/dbraw/zinc/35/55/36/164355536.db2.gz JFAWEBQLYHDAIP-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP COc1cc(F)ccc1N1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353655663 165847860 /nfs/dbraw/zinc/84/78/60/165847860.db2.gz YNRVXRRTLARFKV-UHFFFAOYSA-N 2 2 343.446 3.293 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000355666027 166278789 /nfs/dbraw/zinc/27/87/89/166278789.db2.gz YBRGMNNTACRVTG-ZBFHGGJFSA-N 2 2 327.428 3.129 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000359314225 167123644 /nfs/dbraw/zinc/12/36/44/167123644.db2.gz QYAOBSWLWCNKNW-KOZAUXTDSA-N 2 2 341.293 3.065 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000359314225 167123647 /nfs/dbraw/zinc/12/36/47/167123647.db2.gz QYAOBSWLWCNKNW-KOZAUXTDSA-N 2 2 341.293 3.065 10 0 EGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000367092249 168178461 /nfs/dbraw/zinc/17/84/61/168178461.db2.gz NRCFKOVTUGVRLQ-INIZCTEOSA-N 2 2 335.455 3.247 10 0 EGAELP c1cn2c(cccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000367092249 168178462 /nfs/dbraw/zinc/17/84/62/168178462.db2.gz NRCFKOVTUGVRLQ-INIZCTEOSA-N 2 2 335.455 3.247 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000367910019 168283453 /nfs/dbraw/zinc/28/34/53/168283453.db2.gz HJWGEUIHJBGWJA-IBGZPJMESA-N 2 2 348.441 3.293 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000367910019 168283455 /nfs/dbraw/zinc/28/34/55/168283455.db2.gz HJWGEUIHJBGWJA-IBGZPJMESA-N 2 2 348.441 3.293 10 0 EGAELP O[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000177244935 265243435 /nfs/dbraw/zinc/24/34/35/265243435.db2.gz MJDNCOZAKLVLNK-SFTDATJTSA-N 2 2 342.458 3.352 10 0 EGAELP O[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000177244950 265243740 /nfs/dbraw/zinc/24/37/40/265243740.db2.gz MJDNCOZAKLVLNK-LEWJYISDSA-N 2 2 342.458 3.352 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000151299016 274248606 /nfs/dbraw/zinc/24/86/06/274248606.db2.gz HPBRWOQZRXKQKH-ZIAGYGMSSA-N 2 2 330.394 3.203 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000278730007 275269661 /nfs/dbraw/zinc/26/96/61/275269661.db2.gz VSBNMUSKRPXHLV-FQEVSTJZSA-N 2 2 326.440 3.141 10 0 EGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408705 275374567 /nfs/dbraw/zinc/37/45/67/275374567.db2.gz GEJCMHZGFAQSPF-IINYFYTJSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408705 275374568 /nfs/dbraw/zinc/37/45/68/275374568.db2.gz GEJCMHZGFAQSPF-IINYFYTJSA-N 2 2 332.245 3.307 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000280230478 275424104 /nfs/dbraw/zinc/42/41/04/275424104.db2.gz MHGJRBHNHZFFHA-CQSZACIVSA-N 2 2 341.377 3.295 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000287505889 276126754 /nfs/dbraw/zinc/12/67/54/276126754.db2.gz LUAWSMOHNDCMNE-UHFFFAOYSA-N 2 2 330.407 3.221 10 0 EGAELP COc1cccc([C@@H]2C[N@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289343187 276325060 /nfs/dbraw/zinc/32/50/60/276325060.db2.gz MCMMJIBTHFHLGK-FQEVSTJZSA-N 2 2 326.440 3.405 10 0 EGAELP COc1cccc([C@@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289343187 276325063 /nfs/dbraw/zinc/32/50/63/276325063.db2.gz MCMMJIBTHFHLGK-FQEVSTJZSA-N 2 2 326.440 3.405 10 0 EGAELP C[NH+](C)CC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000358720278 289083617 /nfs/dbraw/zinc/08/36/17/289083617.db2.gz GDPKLNOBXDKHLF-UHFFFAOYSA-N 2 2 340.471 3.001 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCOCC1 ZINC000373485859 289934904 /nfs/dbraw/zinc/93/49/04/289934904.db2.gz PPOICLWHJNFTOK-JQRITLKVSA-N 2 2 334.426 3.196 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414120450 309062144 /nfs/dbraw/zinc/06/21/44/309062144.db2.gz CJEADYWZNFQTCK-OAHLLOKOSA-N 2 2 343.475 3.187 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000414125896 309062383 /nfs/dbraw/zinc/06/23/83/309062383.db2.gz NKBSNJPCRJIJSL-IBGZPJMESA-N 2 2 325.456 3.345 10 0 EGAELP CCn1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000414203709 309066743 /nfs/dbraw/zinc/06/67/43/309066743.db2.gz AGUXOGFCINVOOH-KRWDZBQOSA-N 2 2 326.488 3.088 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414395610 309077581 /nfs/dbraw/zinc/07/75/81/309077581.db2.gz KNFNKBQTBHQBGD-KBXCAEBGSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414395610 309077582 /nfs/dbraw/zinc/07/75/82/309077582.db2.gz KNFNKBQTBHQBGD-KBXCAEBGSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000414395610 309077583 /nfs/dbraw/zinc/07/75/83/309077583.db2.gz KNFNKBQTBHQBGD-KBXCAEBGSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000414395610 309077584 /nfs/dbraw/zinc/07/75/84/309077584.db2.gz KNFNKBQTBHQBGD-KBXCAEBGSA-N 2 2 330.451 3.234 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918208 308079956 /nfs/dbraw/zinc/07/99/56/308079956.db2.gz HYFIZZHQOCOULP-MJGOQNOKSA-N 2 2 347.890 3.251 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918208 308079957 /nfs/dbraw/zinc/07/99/57/308079957.db2.gz HYFIZZHQOCOULP-MJGOQNOKSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918208 308079958 /nfs/dbraw/zinc/07/99/58/308079958.db2.gz HYFIZZHQOCOULP-MJGOQNOKSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918208 308079959 /nfs/dbraw/zinc/07/99/59/308079959.db2.gz HYFIZZHQOCOULP-MJGOQNOKSA-N 2 2 347.890 3.251 10 0 EGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853971 308264454 /nfs/dbraw/zinc/26/44/54/308264454.db2.gz BJZOPGWFPQEVSZ-BBRMVZONSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853971 308264455 /nfs/dbraw/zinc/26/44/55/308264455.db2.gz BJZOPGWFPQEVSZ-BBRMVZONSA-N 2 2 347.846 3.406 10 0 EGAELP CCn1ccnc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295176268 308299820 /nfs/dbraw/zinc/29/98/20/308299820.db2.gz GWTXSBLGAMAOGD-QGZVFWFLSA-N 2 2 326.488 3.261 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827832 309104172 /nfs/dbraw/zinc/10/41/72/309104172.db2.gz HWHJAKCCGQUQAO-ZWKOTPCHSA-N 2 2 328.456 3.315 10 0 EGAELP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876679 309106902 /nfs/dbraw/zinc/10/69/02/309106902.db2.gz KTKWBEAQRIQVEP-RXVVDRJESA-N 3 2 344.547 3.194 10 0 EGAELP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414884167 309107121 /nfs/dbraw/zinc/10/71/21/309107121.db2.gz USRXQGHQDLWODW-WIYYLYMNSA-N 3 2 344.547 3.194 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071333 309118269 /nfs/dbraw/zinc/11/82/69/309118269.db2.gz SNSAPIZZRMHNFY-ZDUSSCGKSA-N 2 2 329.307 3.403 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034184 309115628 /nfs/dbraw/zinc/11/56/28/309115628.db2.gz CHPAFOZWBVDPGN-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034184 309115629 /nfs/dbraw/zinc/11/56/29/309115629.db2.gz CHPAFOZWBVDPGN-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000415039150 309115883 /nfs/dbraw/zinc/11/58/83/309115883.db2.gz IXNZDSAVEGSVRI-OCCSQVGLSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000415039150 309115884 /nfs/dbraw/zinc/11/58/84/309115884.db2.gz IXNZDSAVEGSVRI-OCCSQVGLSA-N 2 2 339.277 3.119 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367927 309284528 /nfs/dbraw/zinc/28/45/28/309284528.db2.gz KBQFDUIMTGQUOE-RBBKRZOGSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367927 309284529 /nfs/dbraw/zinc/28/45/29/309284529.db2.gz KBQFDUIMTGQUOE-RBBKRZOGSA-N 2 2 349.478 3.442 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374842 309285036 /nfs/dbraw/zinc/28/50/36/309285036.db2.gz NXYIAWIHTNEWPD-KKSFZXQISA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374842 309285037 /nfs/dbraw/zinc/28/50/37/309285037.db2.gz NXYIAWIHTNEWPD-KKSFZXQISA-N 2 2 343.515 3.214 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383944 309285494 /nfs/dbraw/zinc/28/54/94/309285494.db2.gz SYTQKVWDRVQYCY-LJQANCHMSA-N 2 2 344.480 3.263 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383944 309285495 /nfs/dbraw/zinc/28/54/95/309285495.db2.gz SYTQKVWDRVQYCY-LJQANCHMSA-N 2 2 344.480 3.263 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422558469 309361558 /nfs/dbraw/zinc/36/15/58/309361558.db2.gz ASSZBROMZYWXSK-UHFFFAOYSA-N 2 2 330.863 3.162 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422634142 309363015 /nfs/dbraw/zinc/36/30/15/309363015.db2.gz JESMIDPZONWAIU-DAYGRLMNSA-N 2 2 331.504 3.055 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422634142 309363016 /nfs/dbraw/zinc/36/30/16/309363016.db2.gz JESMIDPZONWAIU-DAYGRLMNSA-N 2 2 331.504 3.055 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720439 309364998 /nfs/dbraw/zinc/36/49/98/309364998.db2.gz ZOEDQZUAZFQMDZ-SJORKVTESA-N 2 2 341.421 3.139 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720439 309364999 /nfs/dbraw/zinc/36/49/99/309364999.db2.gz ZOEDQZUAZFQMDZ-SJORKVTESA-N 2 2 341.421 3.139 10 0 EGAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422815571 309370042 /nfs/dbraw/zinc/37/00/42/309370042.db2.gz BYQHSWVJZINLRT-DYVFJYSZSA-N 2 2 328.847 3.036 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000422895841 309374815 /nfs/dbraw/zinc/37/48/15/309374815.db2.gz WYMLWRLXGPNYGU-IEBWSBKVSA-N 2 2 345.512 3.394 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422950893 309377606 /nfs/dbraw/zinc/37/76/06/309377606.db2.gz WYWNLNYQTDPTNX-VQTJNVASSA-N 2 2 344.430 3.296 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097255 309385724 /nfs/dbraw/zinc/38/57/24/309385724.db2.gz QNUXHOLUCBBHMP-SIUGARCYSA-N 2 2 326.843 3.024 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423094675 309385803 /nfs/dbraw/zinc/38/58/03/309385803.db2.gz CPDZEXPLHVFOAL-QMMLZNLJSA-N 2 2 346.515 3.267 10 0 EGAELP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423188359 309389786 /nfs/dbraw/zinc/38/97/86/309389786.db2.gz NNJYAJSHUQFSAD-QGZVFWFLSA-N 3 2 335.455 3.098 10 0 EGAELP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ncc(-c2ccccc2)n1C ZINC000423187160 309389792 /nfs/dbraw/zinc/38/97/92/309389792.db2.gz MACRJWZQBFOTFA-QGZVFWFLSA-N 2 2 349.482 3.313 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423233005 309391598 /nfs/dbraw/zinc/39/15/98/309391598.db2.gz DBRYLUWZLYKXLQ-CRAIPNDOSA-N 2 2 344.455 3.071 10 0 EGAELP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423273869 309393615 /nfs/dbraw/zinc/39/36/15/309393615.db2.gz LAJHJFGWUDWBPB-KGLIPLIRSA-N 2 2 327.266 3.236 10 0 EGAELP Cn1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccc(F)cc2)n1 ZINC000423386030 309398194 /nfs/dbraw/zinc/39/81/94/309398194.db2.gz LTCCZQHSOJNFFR-FQEVSTJZSA-N 2 2 336.414 3.042 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(Br)c1 ZINC000423390336 309398374 /nfs/dbraw/zinc/39/83/74/309398374.db2.gz KANFZSCZNJCKDE-ZETOZRRWSA-N 2 2 327.266 3.106 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000430238113 309602914 /nfs/dbraw/zinc/60/29/14/309602914.db2.gz QEONYXYCQUFQCS-UHFFFAOYSA-N 2 2 349.438 3.186 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448330465 310001992 /nfs/dbraw/zinc/00/19/92/310001992.db2.gz DHCPRLRTKSBLOS-AVRDEDQJSA-N 2 2 346.478 3.482 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449113737 310037997 /nfs/dbraw/zinc/03/79/97/310037997.db2.gz BFBIBNGPWPPNAC-SFHVURJKSA-N 2 2 328.456 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449113737 310037998 /nfs/dbraw/zinc/03/79/98/310037998.db2.gz BFBIBNGPWPPNAC-SFHVURJKSA-N 2 2 328.456 3.049 10 0 EGAELP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449285931 310050336 /nfs/dbraw/zinc/05/03/36/310050336.db2.gz RQZIQEGJGSCWKQ-XLIONFOSSA-N 2 2 328.456 3.091 10 0 EGAELP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000449285931 310050337 /nfs/dbraw/zinc/05/03/37/310050337.db2.gz RQZIQEGJGSCWKQ-XLIONFOSSA-N 2 2 328.456 3.091 10 0 EGAELP COc1ccncc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449341485 310054997 /nfs/dbraw/zinc/05/49/97/310054997.db2.gz UHQSPQTWBOJGDK-QGZVFWFLSA-N 2 2 339.483 3.275 10 0 EGAELP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397599 310058730 /nfs/dbraw/zinc/05/87/30/310058730.db2.gz QWKTXJNSARSWEV-RHSMWYFYSA-N 2 2 344.421 3.245 10 0 EGAELP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397599 310058731 /nfs/dbraw/zinc/05/87/31/310058731.db2.gz QWKTXJNSARSWEV-RHSMWYFYSA-N 2 2 344.421 3.245 10 0 EGAELP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000449491999 310066558 /nfs/dbraw/zinc/06/65/58/310066558.db2.gz IHNLVNZQFORDEO-GOEBONIOSA-N 2 2 336.442 3.444 10 0 EGAELP COC1([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000453114086 310258849 /nfs/dbraw/zinc/25/88/49/310258849.db2.gz HLVZZEYGNSZQLD-SJORKVTESA-N 2 2 334.504 3.290 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000453608009 310284036 /nfs/dbraw/zinc/28/40/36/310284036.db2.gz ZQOJBPHEBVCXTF-SECBINFHSA-N 2 2 326.263 3.189 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000453608009 310284037 /nfs/dbraw/zinc/28/40/37/310284037.db2.gz ZQOJBPHEBVCXTF-SECBINFHSA-N 2 2 326.263 3.189 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)[nH+]1 ZINC000455470985 310362192 /nfs/dbraw/zinc/36/21/92/310362192.db2.gz BEFDVWJMEPVQOG-SJORKVTESA-N 2 2 330.476 3.486 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)[nH+]1 ZINC000455470985 310362193 /nfs/dbraw/zinc/36/21/93/310362193.db2.gz BEFDVWJMEPVQOG-SJORKVTESA-N 2 2 330.476 3.486 10 0 EGAELP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c(C)c1 ZINC000490145306 311134225 /nfs/dbraw/zinc/13/42/25/311134225.db2.gz SSGOJKSRGFUPIR-IFMALSPDSA-N 2 2 338.495 3.439 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557888 312189222 /nfs/dbraw/zinc/18/92/22/312189222.db2.gz ZMXHHQJRCGCHDT-VXGBXAGGSA-N 2 2 343.334 3.472 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557888 312189224 /nfs/dbraw/zinc/18/92/24/312189224.db2.gz ZMXHHQJRCGCHDT-VXGBXAGGSA-N 2 2 343.334 3.472 10 0 EGAELP CCc1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)CCO)CC3)o2)cc1 ZINC000513369146 312208304 /nfs/dbraw/zinc/20/83/04/312208304.db2.gz AYPBTOFTEBOJCV-UHFFFAOYSA-N 2 2 342.483 3.398 10 0 EGAELP CCc1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)CCO)CC3)o2)cc1 ZINC000513369146 312208307 /nfs/dbraw/zinc/20/83/07/312208307.db2.gz AYPBTOFTEBOJCV-UHFFFAOYSA-N 2 2 342.483 3.398 10 0 EGAELP CCC1(C[NH2+][C@H](C(=O)OC)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000513457269 312210838 /nfs/dbraw/zinc/21/08/38/312210838.db2.gz IOBDVHZGZZGFTJ-IBGZPJMESA-N 2 2 344.499 3.220 10 0 EGAELP Cc1ccc(OCCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1C ZINC000528729210 313157845 /nfs/dbraw/zinc/15/78/45/313157845.db2.gz QRBJEMWHEXTHIC-UHFFFAOYSA-N 2 2 346.515 3.259 10 0 EGAELP CCOC[C@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000528733521 313158217 /nfs/dbraw/zinc/15/82/17/313158217.db2.gz VYKXZRCYUJWZLL-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP CCOC[C@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000528733521 313158219 /nfs/dbraw/zinc/15/82/19/313158219.db2.gz VYKXZRCYUJWZLL-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530178859 313491349 /nfs/dbraw/zinc/49/13/49/313491349.db2.gz RVWLIAUMIBNUFS-OAHLLOKOSA-N 2 2 326.387 3.061 10 0 EGAELP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530223975 313500572 /nfs/dbraw/zinc/50/05/72/313500572.db2.gz JMSYASPGOUQDAD-LLVKDONJSA-N 2 2 333.220 3.205 10 0 EGAELP COc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)O[C@@H](C)C2 ZINC000535821757 314078083 /nfs/dbraw/zinc/07/80/83/314078083.db2.gz FTOHNKOIDNEGTQ-ZDUSSCGKSA-N 2 2 327.428 3.121 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCc4ccccc4C3)c2cc1C ZINC000552911451 315237287 /nfs/dbraw/zinc/23/72/87/315237287.db2.gz AWOJISJGRNJHBV-PMACEKPBSA-N 2 2 349.478 3.161 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959585 316237106 /nfs/dbraw/zinc/23/71/06/316237106.db2.gz CWGFRVZHJSEMAP-JENIJYKNSA-N 2 2 343.515 3.076 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959585 316237109 /nfs/dbraw/zinc/23/71/09/316237109.db2.gz CWGFRVZHJSEMAP-JENIJYKNSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2cccc(F)c2)no1 ZINC000565821377 316374648 /nfs/dbraw/zinc/37/46/48/316374648.db2.gz CISBDHWXTYUETA-NKKGCODLSA-N 2 2 344.434 3.447 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212670 317022980 /nfs/dbraw/zinc/02/29/80/317022980.db2.gz VVPGPJSUZPPILU-UYAOXDASSA-N 3 2 338.499 3.306 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212670 317022983 /nfs/dbraw/zinc/02/29/83/317022983.db2.gz VVPGPJSUZPPILU-UYAOXDASSA-N 3 2 338.499 3.306 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000571215362 317167320 /nfs/dbraw/zinc/16/73/20/317167320.db2.gz QSMIXYYXANJQCJ-UHFFFAOYSA-N 2 2 332.419 3.286 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000156141717 455086293 /nfs/dbraw/zinc/08/62/93/455086293.db2.gz YTHAWDYAENILDU-UXIGCNINSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[N@H+]1C ZINC000156141717 455086295 /nfs/dbraw/zinc/08/62/95/455086295.db2.gz YTHAWDYAENILDU-UXIGCNINSA-N 2 2 339.277 3.345 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171648075 323244991 /nfs/dbraw/zinc/24/49/91/323244991.db2.gz JFPBQFMWLQZMHK-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171648075 323244995 /nfs/dbraw/zinc/24/49/95/323244995.db2.gz JFPBQFMWLQZMHK-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP O=C(Nc1ccccc1)C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000495154009 324382197 /nfs/dbraw/zinc/38/21/97/324382197.db2.gz WWRHINBIKIMAIX-UHFFFAOYSA-N 2 2 338.436 3.195 10 0 EGAELP C[N@@H+]1CC[C@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000579701549 325147189 /nfs/dbraw/zinc/14/71/89/325147189.db2.gz CAVACJOHGUEQHU-HNNXBMFYSA-N 2 2 334.423 3.044 10 0 EGAELP C[N@H+]1CC[C@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000579701549 325147192 /nfs/dbraw/zinc/14/71/92/325147192.db2.gz CAVACJOHGUEQHU-HNNXBMFYSA-N 2 2 334.423 3.044 10 0 EGAELP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1CCCC1 ZINC000580305500 325231562 /nfs/dbraw/zinc/23/15/62/325231562.db2.gz GVJYNUMVYALDFH-JCYILVPMSA-N 2 2 348.453 3.323 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1CCCCC1 ZINC000180672668 455223490 /nfs/dbraw/zinc/22/34/90/455223490.db2.gz YTEKKYDGJCZEIK-HOTGVXAUSA-N 2 2 340.471 3.360 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469956 460565598 /nfs/dbraw/zinc/56/55/98/460565598.db2.gz XXALOAFXSFPCOS-VQIMIIECSA-N 3 2 330.520 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623469956 460565601 /nfs/dbraw/zinc/56/56/01/460565601.db2.gz XXALOAFXSFPCOS-VQIMIIECSA-N 3 2 330.520 3.069 10 0 EGAELP COc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190476858 455327098 /nfs/dbraw/zinc/32/70/98/455327098.db2.gz BZEXFFVUJBFAHQ-GOSISDBHSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190476858 455327101 /nfs/dbraw/zinc/32/71/01/455327101.db2.gz BZEXFFVUJBFAHQ-GOSISDBHSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190476858 455327102 /nfs/dbraw/zinc/32/71/02/455327102.db2.gz BZEXFFVUJBFAHQ-GOSISDBHSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190476858 455327103 /nfs/dbraw/zinc/32/71/03/455327103.db2.gz BZEXFFVUJBFAHQ-GOSISDBHSA-N 2 2 325.456 3.044 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(Cl)o3)c2cc1C ZINC000605437515 460580870 /nfs/dbraw/zinc/58/08/70/460580870.db2.gz RAVBUKVJRPTGRW-CYBMUJFWSA-N 2 2 333.819 3.050 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889668 460588707 /nfs/dbraw/zinc/58/87/07/460588707.db2.gz LEBCCHISJXULNC-HIFRSBDPSA-N 2 2 328.378 3.202 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889668 460588715 /nfs/dbraw/zinc/58/87/15/460588715.db2.gz LEBCCHISJXULNC-HIFRSBDPSA-N 2 2 328.378 3.202 10 0 EGAELP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623559539 460612406 /nfs/dbraw/zinc/61/24/06/460612406.db2.gz FPDLCJZNKBHGPF-QZTJIDSGSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559539 460612412 /nfs/dbraw/zinc/61/24/12/460612412.db2.gz FPDLCJZNKBHGPF-QZTJIDSGSA-N 2 2 326.488 3.166 10 0 EGAELP Cc1ccccc1Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)no1 ZINC000083198845 453943102 /nfs/dbraw/zinc/94/31/02/453943102.db2.gz HKTBXIARDFHAHO-UHFFFAOYSA-N 2 2 342.487 3.133 10 0 EGAELP C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299275 454015179 /nfs/dbraw/zinc/01/51/79/454015179.db2.gz LTJBMFILWARCQL-CQSZACIVSA-N 2 2 349.906 3.076 10 0 EGAELP C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299275 454015181 /nfs/dbraw/zinc/01/51/81/454015181.db2.gz LTJBMFILWARCQL-CQSZACIVSA-N 2 2 349.906 3.076 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000130871289 454223099 /nfs/dbraw/zinc/22/30/99/454223099.db2.gz GOMVJMKCNZQIOK-UHFFFAOYSA-N 2 2 327.407 3.038 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000130871289 454223108 /nfs/dbraw/zinc/22/31/08/454223108.db2.gz GOMVJMKCNZQIOK-UHFFFAOYSA-N 2 2 327.407 3.038 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145297 455436146 /nfs/dbraw/zinc/43/61/46/455436146.db2.gz DVBCSQNWJBCQHA-HOTGVXAUSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145297 455436151 /nfs/dbraw/zinc/43/61/51/455436151.db2.gz DVBCSQNWJBCQHA-HOTGVXAUSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090666349 454334455 /nfs/dbraw/zinc/33/44/55/454334455.db2.gz KFIIMEGDDMINAQ-LBPRGKRZSA-N 2 2 349.360 3.475 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n1-c1ccccc1 ZINC000623602479 460635949 /nfs/dbraw/zinc/63/59/49/460635949.db2.gz SBUXTJIUMXATLM-NRFANRHFSA-N 2 2 333.435 3.412 10 0 EGAELP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000121365914 454426065 /nfs/dbraw/zinc/42/60/65/454426065.db2.gz VZKJBLUAHPAHOY-OAHLLOKOSA-N 2 2 341.455 3.418 10 0 EGAELP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000097476096 454437378 /nfs/dbraw/zinc/43/73/78/454437378.db2.gz DEKICTFEMKHRJS-UHFFFAOYSA-N 2 2 335.467 3.208 10 0 EGAELP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000097476096 454437381 /nfs/dbraw/zinc/43/73/81/454437381.db2.gz DEKICTFEMKHRJS-UHFFFAOYSA-N 2 2 335.467 3.208 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143758 454461477 /nfs/dbraw/zinc/46/14/77/454461477.db2.gz KMKKFCWENPXVTK-YWZLYKJASA-N 2 2 344.886 3.410 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143758 454461481 /nfs/dbraw/zinc/46/14/81/454461481.db2.gz KMKKFCWENPXVTK-YWZLYKJASA-N 2 2 344.886 3.410 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876451 454661596 /nfs/dbraw/zinc/66/15/96/454661596.db2.gz KOQGFHCDLXTEJM-AWEZNQCLSA-N 2 2 331.464 3.161 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000106216979 454686533 /nfs/dbraw/zinc/68/65/33/454686533.db2.gz BEAMNBDSGWUVNW-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000106216979 454686537 /nfs/dbraw/zinc/68/65/37/454686537.db2.gz BEAMNBDSGWUVNW-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP COc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)ccc1F ZINC000152848730 454733136 /nfs/dbraw/zinc/73/31/36/454733136.db2.gz MPMAMNJXRUSKIZ-CYBMUJFWSA-N 2 2 326.375 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CCO1 ZINC000136370854 454738041 /nfs/dbraw/zinc/73/80/41/454738041.db2.gz ADYQREWIOSZXKS-MRXNPFEDSA-N 2 2 344.499 3.085 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CCO1 ZINC000136370854 454738045 /nfs/dbraw/zinc/73/80/45/454738045.db2.gz ADYQREWIOSZXKS-MRXNPFEDSA-N 2 2 344.499 3.085 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152967875 454747973 /nfs/dbraw/zinc/74/79/73/454747973.db2.gz AQRJCDMMHWGJJV-AZUAARDMSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152967875 454747977 /nfs/dbraw/zinc/74/79/77/454747977.db2.gz AQRJCDMMHWGJJV-AZUAARDMSA-N 2 2 326.488 3.306 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000163241833 454834202 /nfs/dbraw/zinc/83/42/02/454834202.db2.gz RUCLUUCDAKGKEI-INIZCTEOSA-N 3 2 335.923 3.236 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000163241833 454834205 /nfs/dbraw/zinc/83/42/05/454834205.db2.gz RUCLUUCDAKGKEI-INIZCTEOSA-N 3 2 335.923 3.236 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000163301084 454837193 /nfs/dbraw/zinc/83/71/93/454837193.db2.gz LKAZBLJHEVYCHK-ZFWWWQNUSA-N 2 2 325.522 3.336 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000163301084 454837197 /nfs/dbraw/zinc/83/71/97/454837197.db2.gz LKAZBLJHEVYCHK-ZFWWWQNUSA-N 2 2 325.522 3.336 10 0 EGAELP COc1cccc([C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000163355202 454842379 /nfs/dbraw/zinc/84/23/79/454842379.db2.gz IBXMRFKXISAPTE-IBGZPJMESA-N 2 2 329.444 3.054 10 0 EGAELP COc1cccc([C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000163355202 454842383 /nfs/dbraw/zinc/84/23/83/454842383.db2.gz IBXMRFKXISAPTE-IBGZPJMESA-N 2 2 329.444 3.054 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154557359 454907636 /nfs/dbraw/zinc/90/76/36/454907636.db2.gz MUAJAQQQITXQFU-SWLSCSKDSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154557359 454907638 /nfs/dbraw/zinc/90/76/38/454907638.db2.gz MUAJAQQQITXQFU-SWLSCSKDSA-N 2 2 339.277 3.347 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000150910770 454911351 /nfs/dbraw/zinc/91/13/51/454911351.db2.gz VWXRXUGEHJKOCV-AWEZNQCLSA-N 2 2 345.468 3.172 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000150910770 454911355 /nfs/dbraw/zinc/91/13/55/454911355.db2.gz VWXRXUGEHJKOCV-AWEZNQCLSA-N 2 2 345.468 3.172 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2(C)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000154625714 454913543 /nfs/dbraw/zinc/91/35/43/454913543.db2.gz JMVYSCZBGNJMBF-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP C[C@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064236 454932228 /nfs/dbraw/zinc/93/22/28/454932228.db2.gz GVDLBYZZILMSAL-OALUTQOASA-N 2 2 332.536 3.496 10 0 EGAELP C[C@H]1CCC[C@@H](CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064236 454932233 /nfs/dbraw/zinc/93/22/33/454932233.db2.gz GVDLBYZZILMSAL-OALUTQOASA-N 2 2 332.536 3.496 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000178753894 454972869 /nfs/dbraw/zinc/97/28/69/454972869.db2.gz AIJDBLPRLWJKIK-HNNXBMFYSA-N 2 2 343.862 3.396 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000178753894 454972873 /nfs/dbraw/zinc/97/28/73/454972873.db2.gz AIJDBLPRLWJKIK-HNNXBMFYSA-N 2 2 343.862 3.396 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000151439603 454984756 /nfs/dbraw/zinc/98/47/56/454984756.db2.gz OLVJYYYCXYEEIK-GXTWGEPZSA-N 2 2 335.477 3.053 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000151439603 454984758 /nfs/dbraw/zinc/98/47/58/454984758.db2.gz OLVJYYYCXYEEIK-GXTWGEPZSA-N 2 2 335.477 3.053 10 0 EGAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151808803 455033441 /nfs/dbraw/zinc/03/34/41/455033441.db2.gz TZHDMTULDUAIBU-QAPCUYQASA-N 2 2 344.524 3.380 10 0 EGAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151808803 455033445 /nfs/dbraw/zinc/03/34/45/455033445.db2.gz TZHDMTULDUAIBU-QAPCUYQASA-N 2 2 344.524 3.380 10 0 EGAELP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024252 460660059 /nfs/dbraw/zinc/66/00/59/460660059.db2.gz VEDRBQHSWAUMGC-JQKXYWIWSA-N 3 2 327.516 3.304 10 0 EGAELP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024252 460660065 /nfs/dbraw/zinc/66/00/65/460660065.db2.gz VEDRBQHSWAUMGC-JQKXYWIWSA-N 3 2 327.516 3.304 10 0 EGAELP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000172001743 455107743 /nfs/dbraw/zinc/10/77/43/455107743.db2.gz XSNYHHJQMQYYAU-MRXNPFEDSA-N 2 2 325.412 3.088 10 0 EGAELP CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000172001743 455107748 /nfs/dbraw/zinc/10/77/48/455107748.db2.gz XSNYHHJQMQYYAU-MRXNPFEDSA-N 2 2 325.412 3.088 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000118977433 455118904 /nfs/dbraw/zinc/11/89/04/455118904.db2.gz HPBCHYZLGJTSGS-SFHVURJKSA-N 2 2 334.504 3.012 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440364 455300239 /nfs/dbraw/zinc/30/02/39/455300239.db2.gz UMJARUWWBPHFGM-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440364 455300241 /nfs/dbraw/zinc/30/02/41/455300241.db2.gz UMJARUWWBPHFGM-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440364 455300244 /nfs/dbraw/zinc/30/02/44/455300244.db2.gz UMJARUWWBPHFGM-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440364 455300245 /nfs/dbraw/zinc/30/02/45/455300245.db2.gz UMJARUWWBPHFGM-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000181198549 455300658 /nfs/dbraw/zinc/30/06/58/455300658.db2.gz MPWQAZCSGAXYBD-ZDUSSCGKSA-N 2 2 339.468 3.453 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183607409 455310990 /nfs/dbraw/zinc/31/09/90/455310990.db2.gz QZYPZGXZWQDVDW-NEPJUHHUSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000183607409 455310991 /nfs/dbraw/zinc/31/09/91/455310991.db2.gz QZYPZGXZWQDVDW-NEPJUHHUSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183607409 455310992 /nfs/dbraw/zinc/31/09/92/455310992.db2.gz QZYPZGXZWQDVDW-NEPJUHHUSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183607409 455310994 /nfs/dbraw/zinc/31/09/94/455310994.db2.gz QZYPZGXZWQDVDW-NEPJUHHUSA-N 2 2 333.423 3.386 10 0 EGAELP CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183689332 455321415 /nfs/dbraw/zinc/32/14/15/455321415.db2.gz LZAHNYDZOVCIBY-OLZOCXBDSA-N 2 2 341.415 3.122 10 0 EGAELP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000265466400 455330132 /nfs/dbraw/zinc/33/01/32/455330132.db2.gz GXVCPDVSVNVPBM-ZDUSSCGKSA-N 2 2 346.862 3.120 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCCC2 ZINC000181475974 455340209 /nfs/dbraw/zinc/34/02/09/455340209.db2.gz PHVGZDYAWXHVIE-QZTJIDSGSA-N 2 2 340.471 3.485 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869933 455389245 /nfs/dbraw/zinc/38/92/45/455389245.db2.gz RFCXGZNWEKWERE-ZFWWWQNUSA-N 2 2 332.517 3.435 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869933 455389246 /nfs/dbraw/zinc/38/92/46/455389246.db2.gz RFCXGZNWEKWERE-ZFWWWQNUSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869933 455389251 /nfs/dbraw/zinc/38/92/51/455389251.db2.gz RFCXGZNWEKWERE-ZFWWWQNUSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869933 455389253 /nfs/dbraw/zinc/38/92/53/455389253.db2.gz RFCXGZNWEKWERE-ZFWWWQNUSA-N 2 2 332.517 3.435 10 0 EGAELP C[C@@H](c1ccccc1Cl)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182669575 455564840 /nfs/dbraw/zinc/56/48/40/455564840.db2.gz WSMOCSDESGLSFS-INIZCTEOSA-N 2 2 332.879 3.305 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247297555 455585146 /nfs/dbraw/zinc/58/51/46/455585146.db2.gz FHHAFTJGCNRMGL-QAPCUYQASA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247297555 455585149 /nfs/dbraw/zinc/58/51/49/455585149.db2.gz FHHAFTJGCNRMGL-QAPCUYQASA-N 2 2 326.444 3.022 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247635580 455631493 /nfs/dbraw/zinc/63/14/93/455631493.db2.gz ODDHMOSAHDJTAJ-TZMCWYRMSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247635580 455631496 /nfs/dbraw/zinc/63/14/96/455631496.db2.gz ODDHMOSAHDJTAJ-TZMCWYRMSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000249391043 455753056 /nfs/dbraw/zinc/75/30/56/455753056.db2.gz FZIZUELQILMXRK-UIFIKXQLSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000249391043 455753060 /nfs/dbraw/zinc/75/30/60/455753060.db2.gz FZIZUELQILMXRK-UIFIKXQLSA-N 2 2 345.531 3.213 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000250208567 455786698 /nfs/dbraw/zinc/78/66/98/455786698.db2.gz LTZJTKFNHQFXRL-GDBMZVCRSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000250208567 455786702 /nfs/dbraw/zinc/78/67/02/455786702.db2.gz LTZJTKFNHQFXRL-GDBMZVCRSA-N 2 2 325.460 3.379 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000280082102 455886432 /nfs/dbraw/zinc/88/64/32/455886432.db2.gz ACGXVPGYTYWLGH-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000280082102 455886436 /nfs/dbraw/zinc/88/64/36/455886436.db2.gz ACGXVPGYTYWLGH-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582962 460701234 /nfs/dbraw/zinc/70/12/34/460701234.db2.gz KBQBOMSFFMEWSS-HZPDHXFCSA-N 2 2 343.475 3.214 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000195515737 455974973 /nfs/dbraw/zinc/97/49/73/455974973.db2.gz GHVAZSPUGPSYNT-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000195515737 455974976 /nfs/dbraw/zinc/97/49/76/455974976.db2.gz GHVAZSPUGPSYNT-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000623753693 460705813 /nfs/dbraw/zinc/70/58/13/460705813.db2.gz CIVRVDTYUHYTKE-IEBWSBKVSA-N 2 2 334.891 3.462 10 0 EGAELP Fc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262141967 456003623 /nfs/dbraw/zinc/00/36/23/456003623.db2.gz PVDQOAKCLRPQND-INIZCTEOSA-N 2 2 331.460 3.427 10 0 EGAELP Fc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262141967 456003626 /nfs/dbraw/zinc/00/36/26/456003626.db2.gz PVDQOAKCLRPQND-INIZCTEOSA-N 2 2 331.460 3.427 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH+](C2CC2)CC1 ZINC000301379744 456103156 /nfs/dbraw/zinc/10/31/56/456103156.db2.gz XUMZKJLXCQQBBF-UHFFFAOYSA-N 2 2 339.439 3.004 10 0 EGAELP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000188779669 456135842 /nfs/dbraw/zinc/13/58/42/456135842.db2.gz NROFBVHQLUNHEA-GFCCVEGCSA-N 2 2 331.382 3.158 10 0 EGAELP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343032450 456363871 /nfs/dbraw/zinc/36/38/71/456363871.db2.gz GKZPODJXNCHZNS-UHFFFAOYSA-N 2 2 342.439 3.342 10 0 EGAELP FC(F)n1ccnc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282043465 456398231 /nfs/dbraw/zinc/39/82/31/456398231.db2.gz LQVOJUBXJKORTI-ZDUSSCGKSA-N 2 2 335.402 3.191 10 0 EGAELP FC(F)n1ccnc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282043465 456398242 /nfs/dbraw/zinc/39/82/42/456398242.db2.gz LQVOJUBXJKORTI-ZDUSSCGKSA-N 2 2 335.402 3.191 10 0 EGAELP COc1ccnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282059878 456403792 /nfs/dbraw/zinc/40/37/92/456403792.db2.gz MORHJBLPKUHFRS-OAHLLOKOSA-N 2 2 326.444 3.003 10 0 EGAELP COc1ccnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282059878 456403796 /nfs/dbraw/zinc/40/37/96/456403796.db2.gz MORHJBLPKUHFRS-OAHLLOKOSA-N 2 2 326.444 3.003 10 0 EGAELP Cc1ncsc1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199479 456441924 /nfs/dbraw/zinc/44/19/24/456441924.db2.gz XBSCJPFFHAMLLK-HNNXBMFYSA-N 2 2 330.501 3.406 10 0 EGAELP Cc1ncsc1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199479 456441928 /nfs/dbraw/zinc/44/19/28/456441928.db2.gz XBSCJPFFHAMLLK-HNNXBMFYSA-N 2 2 330.501 3.406 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000298517049 456478919 /nfs/dbraw/zinc/47/89/19/456478919.db2.gz LAIGMQDYZQFKBJ-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000298517049 456478927 /nfs/dbraw/zinc/47/89/27/456478927.db2.gz LAIGMQDYZQFKBJ-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281965 456506045 /nfs/dbraw/zinc/50/60/45/456506045.db2.gz ABWDJRFDMCZMRY-COXVUDFISA-N 2 2 339.886 3.156 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281965 456506051 /nfs/dbraw/zinc/50/60/51/456506051.db2.gz ABWDJRFDMCZMRY-COXVUDFISA-N 2 2 339.886 3.156 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000340572681 456538429 /nfs/dbraw/zinc/53/84/29/456538429.db2.gz MJHJREGYMAKMIX-HNNXBMFYSA-N 2 2 339.574 3.072 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000340572681 456538432 /nfs/dbraw/zinc/53/84/32/456538432.db2.gz MJHJREGYMAKMIX-HNNXBMFYSA-N 2 2 339.574 3.072 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279754 456635794 /nfs/dbraw/zinc/63/57/94/456635794.db2.gz IHDHPYHPPOADNJ-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279754 456635803 /nfs/dbraw/zinc/63/58/03/456635803.db2.gz IHDHPYHPPOADNJ-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000338000611 456647135 /nfs/dbraw/zinc/64/71/35/456647135.db2.gz YRFFYKVKXIILEZ-VQTJNVASSA-N 2 2 344.499 3.066 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645947 456670818 /nfs/dbraw/zinc/67/08/18/456670818.db2.gz VZRDAQYDGSWVPR-HOCLYGCPSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645947 456670824 /nfs/dbraw/zinc/67/08/24/456670824.db2.gz VZRDAQYDGSWVPR-HOCLYGCPSA-N 2 2 346.862 3.354 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292152086 456869709 /nfs/dbraw/zinc/86/97/09/456869709.db2.gz NQCZRIVUJLSKOH-IIBYNOLFSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292152086 456869716 /nfs/dbraw/zinc/86/97/16/456869716.db2.gz NQCZRIVUJLSKOH-IIBYNOLFSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292152086 456869722 /nfs/dbraw/zinc/86/97/22/456869722.db2.gz NQCZRIVUJLSKOH-IIBYNOLFSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292152086 456869727 /nfs/dbraw/zinc/86/97/27/456869727.db2.gz NQCZRIVUJLSKOH-IIBYNOLFSA-N 2 2 343.515 3.339 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000344960828 456879357 /nfs/dbraw/zinc/87/93/57/456879357.db2.gz FIPGIOVVRYYIMD-QFBILLFUSA-N 2 2 325.456 3.058 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000344960828 456879360 /nfs/dbraw/zinc/87/93/60/456879360.db2.gz FIPGIOVVRYYIMD-QFBILLFUSA-N 2 2 325.456 3.058 10 0 EGAELP CC[N@H+](C[C@@H]1CCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038158 456910118 /nfs/dbraw/zinc/91/01/18/456910118.db2.gz SURRNICSYJESPA-SFHVURJKSA-N 2 2 346.519 3.378 10 0 EGAELP CC[N@@H+](C[C@@H]1CCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038158 456910121 /nfs/dbraw/zinc/91/01/21/456910121.db2.gz SURRNICSYJESPA-SFHVURJKSA-N 2 2 346.519 3.378 10 0 EGAELP COc1ccc(F)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000339181059 456980500 /nfs/dbraw/zinc/98/05/00/456980500.db2.gz JROCPYXBMZZIBG-UHFFFAOYSA-N 2 2 325.387 3.369 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000349565887 456988749 /nfs/dbraw/zinc/98/87/49/456988749.db2.gz PHDSBLPPWVWKRZ-UHFFFAOYSA-N 2 2 325.865 3.027 10 0 EGAELP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1cccc(OC)c1 ZINC000354050230 457033286 /nfs/dbraw/zinc/03/32/86/457033286.db2.gz XEIVVQBWMDJYAA-GOSISDBHSA-N 2 2 340.471 3.280 10 0 EGAELP CC[N@@H+]1CC[C@H]2OCC[NH+](CC3CCC(C(F)(F)F)CC3)[C@H]2C1 ZINC000339389044 457086420 /nfs/dbraw/zinc/08/64/20/457086420.db2.gz DFRHDSWNQSQWET-SSHXOBKSSA-N 2 2 334.426 3.150 10 0 EGAELP CC[N@H+]1CC[C@H]2OCC[NH+](CC3CCC(C(F)(F)F)CC3)[C@H]2C1 ZINC000339389044 457086423 /nfs/dbraw/zinc/08/64/23/457086423.db2.gz DFRHDSWNQSQWET-SSHXOBKSSA-N 2 2 334.426 3.150 10 0 EGAELP CC[NH+]1CC[C@H]2OCC[N@H+](CC3CCC(C(F)(F)F)CC3)[C@H]2C1 ZINC000339389044 457086428 /nfs/dbraw/zinc/08/64/28/457086428.db2.gz DFRHDSWNQSQWET-SSHXOBKSSA-N 2 2 334.426 3.150 10 0 EGAELP CC[NH+]1CC[C@H]2OCC[N@@H+](CC3CCC(C(F)(F)F)CC3)[C@H]2C1 ZINC000339389044 457086433 /nfs/dbraw/zinc/08/64/33/457086433.db2.gz DFRHDSWNQSQWET-SSHXOBKSSA-N 2 2 334.426 3.150 10 0 EGAELP Cc1cccc2[nH+]cc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n21 ZINC000349877418 457091398 /nfs/dbraw/zinc/09/13/98/457091398.db2.gz RSYVDKDDWGCFPQ-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1cccc2[nH+]cc(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n21 ZINC000349877418 457091402 /nfs/dbraw/zinc/09/14/02/457091402.db2.gz RSYVDKDDWGCFPQ-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356749005 457147771 /nfs/dbraw/zinc/14/77/71/457147771.db2.gz XFXLNVJNYQBXJU-MRXNPFEDSA-N 2 2 344.503 3.224 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356749005 457147781 /nfs/dbraw/zinc/14/77/81/457147781.db2.gz XFXLNVJNYQBXJU-MRXNPFEDSA-N 2 2 344.503 3.224 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N(CCC)CC[NH+](C)C ZINC000354539287 457277715 /nfs/dbraw/zinc/27/77/15/457277715.db2.gz MVZCDHDQAMYMIC-UHFFFAOYSA-N 2 2 344.503 3.179 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270908 457322750 /nfs/dbraw/zinc/32/27/50/457322750.db2.gz BEWJRXZRXHXELZ-USXIJHARSA-N 2 2 344.421 3.454 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270908 457322759 /nfs/dbraw/zinc/32/27/59/457322759.db2.gz BEWJRXZRXHXELZ-USXIJHARSA-N 2 2 344.421 3.454 10 0 EGAELP c1csc(-c2noc(CCC[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000342600339 457392308 /nfs/dbraw/zinc/39/23/08/457392308.db2.gz UHXSFOGRAWWQBG-UHFFFAOYSA-N 2 2 343.456 3.333 10 0 EGAELP CC[NH+]1CCN(c2cccc(NCc3c[nH+]cn3C(C)C)c2)CC1 ZINC000425348776 457511108 /nfs/dbraw/zinc/51/11/08/457511108.db2.gz ZWEOBSWQFGVRMH-UHFFFAOYSA-N 2 2 327.476 3.218 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208093 457524000 /nfs/dbraw/zinc/52/40/00/457524000.db2.gz LFMHFEYUYASPNR-GFCCVEGCSA-N 2 2 332.835 3.270 10 0 EGAELP Clc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc2c1OCCO2 ZINC000370135024 457557666 /nfs/dbraw/zinc/55/76/66/457557666.db2.gz ZOMUTNSCQRGUMF-UHFFFAOYSA-N 2 2 336.863 3.218 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000352740189 457572773 /nfs/dbraw/zinc/57/27/73/457572773.db2.gz VDZWDIMJEIEKGI-YJBOKZPZSA-N 2 2 331.485 3.072 10 0 EGAELP Cc1cc(N2CCn3c[nH+]cc3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000357575463 457601442 /nfs/dbraw/zinc/60/14/42/457601442.db2.gz CEEMLDAAOKBVBV-UHFFFAOYSA-N 2 2 330.338 3.361 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000361285544 457678727 /nfs/dbraw/zinc/67/87/27/457678727.db2.gz DIMXPJZYALGOCU-RDJZCZTQSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000361285544 457678730 /nfs/dbraw/zinc/67/87/30/457678730.db2.gz DIMXPJZYALGOCU-RDJZCZTQSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000361294077 457682166 /nfs/dbraw/zinc/68/21/66/457682166.db2.gz COYLPKMGDYCRIO-UHFFFAOYSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000361397943 457718313 /nfs/dbraw/zinc/71/83/13/457718313.db2.gz ZMQQANZREOEFIT-UPCLLVRISA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000361397943 457718314 /nfs/dbraw/zinc/71/83/14/457718314.db2.gz ZMQQANZREOEFIT-UPCLLVRISA-N 2 2 347.528 3.358 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365264535 457734850 /nfs/dbraw/zinc/73/48/50/457734850.db2.gz GNYZKCDFUFUPJT-SFHVURJKSA-N 2 2 333.439 3.350 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365264535 457734852 /nfs/dbraw/zinc/73/48/52/457734852.db2.gz GNYZKCDFUFUPJT-SFHVURJKSA-N 2 2 333.439 3.350 10 0 EGAELP CC(C)c1ccoc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375033855 457763869 /nfs/dbraw/zinc/76/38/69/457763869.db2.gz AXBUWOXFJRCNHI-UHFFFAOYSA-N 2 2 347.503 3.083 10 0 EGAELP Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361753354 457835638 /nfs/dbraw/zinc/83/56/38/457835638.db2.gz IKUXANHIJNTTMX-KRWDZBQOSA-N 2 2 327.453 3.374 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1-c1ccccc1 ZINC000375405050 457916053 /nfs/dbraw/zinc/91/60/53/457916053.db2.gz PILCWMZPNKAEEO-INIZCTEOSA-N 2 2 349.438 3.431 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1-c1ccccc1 ZINC000375405050 457916056 /nfs/dbraw/zinc/91/60/56/457916056.db2.gz PILCWMZPNKAEEO-INIZCTEOSA-N 2 2 349.438 3.431 10 0 EGAELP C[NH+]1CCC2(CCC[N@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000375999196 458155700 /nfs/dbraw/zinc/15/57/00/458155700.db2.gz JTSRXKRUQXWTSY-UHFFFAOYSA-N 2 2 333.423 3.470 10 0 EGAELP C[NH+]1CCC2(CCC[N@@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000375999196 458155706 /nfs/dbraw/zinc/15/57/06/458155706.db2.gz JTSRXKRUQXWTSY-UHFFFAOYSA-N 2 2 333.423 3.470 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000436299270 458286171 /nfs/dbraw/zinc/28/61/71/458286171.db2.gz ROJUIHGIXUQHAO-WZGPROSRSA-N 2 2 330.472 3.143 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000436299270 458286178 /nfs/dbraw/zinc/28/61/78/458286178.db2.gz ROJUIHGIXUQHAO-WZGPROSRSA-N 2 2 330.472 3.143 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366567 458345544 /nfs/dbraw/zinc/34/55/44/458345544.db2.gz BEHLCQNDVNKITN-YJBOKZPZSA-N 2 2 340.471 3.011 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366567 458345548 /nfs/dbraw/zinc/34/55/48/458345548.db2.gz BEHLCQNDVNKITN-YJBOKZPZSA-N 2 2 340.471 3.011 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1Br ZINC000423556130 458456827 /nfs/dbraw/zinc/45/68/27/458456827.db2.gz MLUCSDUIERCDCY-YPMHNXCESA-N 2 2 327.266 3.250 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000377230191 458493610 /nfs/dbraw/zinc/49/36/10/458493610.db2.gz AHQDWMGQODLQNY-UHFFFAOYSA-N 2 2 337.427 3.188 10 0 EGAELP CCn1cc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373519277 458517172 /nfs/dbraw/zinc/51/71/72/458517172.db2.gz IQUGXRWHIUQTCP-UWTIGNOOSA-N 2 2 344.425 3.359 10 0 EGAELP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377778847 458524730 /nfs/dbraw/zinc/52/47/30/458524730.db2.gz MGOJBLOLFYLIDX-QGZVFWFLSA-N 2 2 334.423 3.127 10 0 EGAELP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377778847 458524734 /nfs/dbraw/zinc/52/47/34/458524734.db2.gz MGOJBLOLFYLIDX-QGZVFWFLSA-N 2 2 334.423 3.127 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377791402 458529891 /nfs/dbraw/zinc/52/98/91/458529891.db2.gz ZRLZVGOQULWBQG-GFCCVEGCSA-N 2 2 337.370 3.057 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377791402 458529898 /nfs/dbraw/zinc/52/98/98/458529898.db2.gz ZRLZVGOQULWBQG-GFCCVEGCSA-N 2 2 337.370 3.057 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000546574688 458639504 /nfs/dbraw/zinc/63/95/04/458639504.db2.gz PCMRTZVILDQOPM-UHFFFAOYSA-N 2 2 335.442 3.175 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000546574688 458639509 /nfs/dbraw/zinc/63/95/09/458639509.db2.gz PCMRTZVILDQOPM-UHFFFAOYSA-N 2 2 335.442 3.175 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000530221037 458721489 /nfs/dbraw/zinc/72/14/89/458721489.db2.gz WCGSJBZRVVEJRM-SUZMYJTESA-N 2 2 345.231 3.287 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000530221037 458721493 /nfs/dbraw/zinc/72/14/93/458721493.db2.gz WCGSJBZRVVEJRM-SUZMYJTESA-N 2 2 345.231 3.287 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244750 458729086 /nfs/dbraw/zinc/72/90/86/458729086.db2.gz PWUNEEONQZPHIA-PBHICJAKSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244750 458729091 /nfs/dbraw/zinc/72/90/91/458729091.db2.gz PWUNEEONQZPHIA-PBHICJAKSA-N 2 2 326.843 3.119 10 0 EGAELP CC[N@H+](CC1(C)COC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440714174 458846320 /nfs/dbraw/zinc/84/63/20/458846320.db2.gz PXYQLONMNXIIJR-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP CC[N@@H+](CC1(C)COC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440714174 458846327 /nfs/dbraw/zinc/84/63/27/458846327.db2.gz PXYQLONMNXIIJR-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984970 458853700 /nfs/dbraw/zinc/85/37/00/458853700.db2.gz CMSKCVIPBIINOH-KYOSRNDESA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984970 458853705 /nfs/dbraw/zinc/85/37/05/458853705.db2.gz CMSKCVIPBIINOH-KYOSRNDESA-N 2 2 328.287 3.112 10 0 EGAELP Cc1cn2cc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)ccc2[nH+]1 ZINC000531443595 458919104 /nfs/dbraw/zinc/91/91/04/458919104.db2.gz ATPBIQJKSUFIQA-UHFFFAOYSA-N 2 2 349.438 3.201 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700529 458963102 /nfs/dbraw/zinc/96/31/02/458963102.db2.gz JJEJJKGPDCPNQC-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700529 458963104 /nfs/dbraw/zinc/96/31/04/458963104.db2.gz JJEJJKGPDCPNQC-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000556686785 458988199 /nfs/dbraw/zinc/98/81/99/458988199.db2.gz VCBUGEOTUZHISM-UHFFFAOYSA-N 2 2 334.508 3.046 10 0 EGAELP Cc1ccccc1C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000590126303 459088866 /nfs/dbraw/zinc/08/88/66/459088866.db2.gz CNWZRJHXYJNZER-QFIPXVFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000590126303 459088871 /nfs/dbraw/zinc/08/88/71/459088871.db2.gz CNWZRJHXYJNZER-QFIPXVFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126303 459088878 /nfs/dbraw/zinc/08/88/78/459088878.db2.gz CNWZRJHXYJNZER-QFIPXVFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126303 459088886 /nfs/dbraw/zinc/08/88/86/459088886.db2.gz CNWZRJHXYJNZER-QFIPXVFZSA-N 2 2 338.495 3.452 10 0 EGAELP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819488 459233815 /nfs/dbraw/zinc/23/38/15/459233815.db2.gz POWRSGSQRJUJBZ-MOPGFXCFSA-N 2 2 344.499 3.414 10 0 EGAELP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819488 459233819 /nfs/dbraw/zinc/23/38/19/459233819.db2.gz POWRSGSQRJUJBZ-MOPGFXCFSA-N 2 2 344.499 3.414 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn3ccccc3n2)[C@@H](C)C1 ZINC000559892016 459282771 /nfs/dbraw/zinc/28/27/71/459282771.db2.gz ATPORMWTLPMEHA-KSZLIROESA-N 2 2 344.503 3.122 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn3ccccc3n2)[C@@H](C)C1 ZINC000559892016 459282774 /nfs/dbraw/zinc/28/27/74/459282774.db2.gz ATPORMWTLPMEHA-KSZLIROESA-N 2 2 344.503 3.122 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000582417277 459360837 /nfs/dbraw/zinc/36/08/37/459360837.db2.gz PZCJSFQXJNRVND-INIZCTEOSA-N 2 2 325.456 3.456 10 0 EGAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000525992028 459526633 /nfs/dbraw/zinc/52/66/33/459526633.db2.gz YMMAGCPHWQRASA-OKZBNKHCSA-N 2 2 346.519 3.106 10 0 EGAELP CC(C)C[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543065469 459620106 /nfs/dbraw/zinc/62/01/06/459620106.db2.gz PRUDGUKZPWQOFE-OAHLLOKOSA-N 2 2 330.476 3.284 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325116 459629378 /nfs/dbraw/zinc/62/93/78/459629378.db2.gz JHWCAGXCMCTUEF-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325116 459629386 /nfs/dbraw/zinc/62/93/86/459629386.db2.gz JHWCAGXCMCTUEF-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325116 459629394 /nfs/dbraw/zinc/62/93/94/459629394.db2.gz JHWCAGXCMCTUEF-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325116 459629400 /nfs/dbraw/zinc/62/94/00/459629400.db2.gz JHWCAGXCMCTUEF-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccsc2Br)C[C@@H](C)O1 ZINC000527634305 459678521 /nfs/dbraw/zinc/67/85/21/459678521.db2.gz WVXDTYPVECBPNR-VXGBXAGGSA-N 2 2 347.322 3.100 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849971 459758087 /nfs/dbraw/zinc/75/80/87/459758087.db2.gz JPLZXCRNNABCCR-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849971 459758094 /nfs/dbraw/zinc/75/80/94/459758094.db2.gz JPLZXCRNNABCCR-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528010112 459795744 /nfs/dbraw/zinc/79/57/44/459795744.db2.gz IJALSSNXIVCUKA-CRAIPNDOSA-N 2 2 332.488 3.241 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000528010112 459795748 /nfs/dbraw/zinc/79/57/48/459795748.db2.gz IJALSSNXIVCUKA-CRAIPNDOSA-N 2 2 332.488 3.241 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574881621 459887479 /nfs/dbraw/zinc/88/74/79/459887479.db2.gz WPKAIWOMROTOKO-FQEVSTJZSA-N 2 2 337.423 3.090 10 0 EGAELP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597242227 459892284 /nfs/dbraw/zinc/89/22/84/459892284.db2.gz VLZPIQQIQRBRTP-WBVHZDCISA-N 2 2 333.457 3.145 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000593696518 459956798 /nfs/dbraw/zinc/95/67/98/459956798.db2.gz GKSBQMLHSCWKON-KRWDZBQOSA-N 2 2 344.459 3.128 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000593696518 459956805 /nfs/dbraw/zinc/95/68/05/459956805.db2.gz GKSBQMLHSCWKON-KRWDZBQOSA-N 2 2 344.459 3.128 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000588687864 459967478 /nfs/dbraw/zinc/96/74/78/459967478.db2.gz GRLFGBLMXQFNBK-BEFAXECRSA-N 2 2 332.875 3.484 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000588687864 459967485 /nfs/dbraw/zinc/96/74/85/459967485.db2.gz GRLFGBLMXQFNBK-BEFAXECRSA-N 2 2 332.875 3.484 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n(CCc2ccccc2)n1 ZINC000621712898 460018015 /nfs/dbraw/zinc/01/80/15/460018015.db2.gz SWZNRQVAYIULIS-GOSISDBHSA-N 2 2 335.455 3.229 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n(CCc2ccccc2)n1 ZINC000621712898 460018025 /nfs/dbraw/zinc/01/80/25/460018025.db2.gz SWZNRQVAYIULIS-GOSISDBHSA-N 2 2 335.455 3.229 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n(CCc2ccccc2)n1 ZINC000621715477 460019594 /nfs/dbraw/zinc/01/95/94/460019594.db2.gz VUGFDUHXLKPNTD-LJQANCHMSA-N 2 2 335.455 3.159 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n(CCc2ccccc2)n1 ZINC000621715477 460019600 /nfs/dbraw/zinc/01/96/00/460019600.db2.gz VUGFDUHXLKPNTD-LJQANCHMSA-N 2 2 335.455 3.159 10 0 EGAELP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718007 460022331 /nfs/dbraw/zinc/02/23/31/460022331.db2.gz VZNSPTGTHSZBLI-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718007 460022338 /nfs/dbraw/zinc/02/23/38/460022338.db2.gz VZNSPTGTHSZBLI-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718007 460022344 /nfs/dbraw/zinc/02/23/44/460022344.db2.gz VZNSPTGTHSZBLI-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718007 460022347 /nfs/dbraw/zinc/02/23/47/460022347.db2.gz VZNSPTGTHSZBLI-FQEVSTJZSA-N 2 2 340.515 3.432 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621724393 460028924 /nfs/dbraw/zinc/02/89/24/460028924.db2.gz HWIYZRXQJOSRPH-IBGZPJMESA-N 2 2 326.488 3.042 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621724393 460028931 /nfs/dbraw/zinc/02/89/31/460028931.db2.gz HWIYZRXQJOSRPH-IBGZPJMESA-N 2 2 326.488 3.042 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728478 460032838 /nfs/dbraw/zinc/03/28/38/460032838.db2.gz QNKUMVZPCHHXRU-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728478 460032844 /nfs/dbraw/zinc/03/28/44/460032844.db2.gz QNKUMVZPCHHXRU-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728478 460032848 /nfs/dbraw/zinc/03/28/48/460032848.db2.gz QNKUMVZPCHHXRU-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728478 460032854 /nfs/dbraw/zinc/03/28/54/460032854.db2.gz QNKUMVZPCHHXRU-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603869121 460351503 /nfs/dbraw/zinc/35/15/03/460351503.db2.gz ZPIODUYCHXKYCX-CQSZACIVSA-N 2 2 345.830 3.351 10 0 EGAELP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603869121 460351507 /nfs/dbraw/zinc/35/15/07/460351507.db2.gz ZPIODUYCHXKYCX-CQSZACIVSA-N 2 2 345.830 3.351 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCOc2ccccc2C)CC1 ZINC000626087762 460366304 /nfs/dbraw/zinc/36/63/04/460366304.db2.gz ALORVUXNFGRBII-UHFFFAOYSA-N 2 2 346.515 3.341 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000626088889 460366340 /nfs/dbraw/zinc/36/63/40/460366340.db2.gz RRZDFVHLBIXFCE-UHFFFAOYSA-N 2 2 338.442 3.084 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000611442091 460366693 /nfs/dbraw/zinc/36/66/93/460366693.db2.gz PJFHJIITRVJWGC-IBGZPJMESA-N 2 2 349.434 3.280 10 0 EGAELP CCSc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000628452693 460417019 /nfs/dbraw/zinc/41/70/19/460417019.db2.gz HTUISJDSYUOPKF-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631663884 460498359 /nfs/dbraw/zinc/49/83/59/460498359.db2.gz QGRNFPYHZBTUNH-KRWDZBQOSA-N 2 2 328.859 3.365 10 0 EGAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421629 460539460 /nfs/dbraw/zinc/53/94/60/460539460.db2.gz TYXKYOFFEGKLJX-MBPVOVBZSA-N 2 2 328.500 3.038 10 0 EGAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421629 460539465 /nfs/dbraw/zinc/53/94/65/460539465.db2.gz TYXKYOFFEGKLJX-MBPVOVBZSA-N 2 2 328.500 3.038 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000629525939 460796365 /nfs/dbraw/zinc/79/63/65/460796365.db2.gz HAWXCXLLWRRJKG-SOUVJXGZSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C[NH2+]1 ZINC000629538402 460800590 /nfs/dbraw/zinc/80/05/90/460800590.db2.gz MAIOJZSZDGRRQL-BPYAMOTFSA-N 2 2 327.241 3.306 10 0 EGAELP COC(=O)C1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000617304714 460803020 /nfs/dbraw/zinc/80/30/20/460803020.db2.gz UUQFZPIMTVVOET-DAWZGUTISA-N 2 2 341.455 3.025 10 0 EGAELP CN(C(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000629601177 460824865 /nfs/dbraw/zinc/82/48/65/460824865.db2.gz APDUCMWNRJVTPI-LJQANCHMSA-N 2 2 329.488 3.036 10 0 EGAELP CN(C(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000629601177 460824874 /nfs/dbraw/zinc/82/48/74/460824874.db2.gz APDUCMWNRJVTPI-LJQANCHMSA-N 2 2 329.488 3.036 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000624077929 460848512 /nfs/dbraw/zinc/84/85/12/460848512.db2.gz HWSSVZARXUYKNY-NVXWUHKLSA-N 2 2 342.405 3.383 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[NH2+]1 ZINC000629660402 460854108 /nfs/dbraw/zinc/85/41/08/460854108.db2.gz TXCIHAPJGMVDHK-OCCSQVGLSA-N 2 2 338.377 3.121 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635696047 460888382 /nfs/dbraw/zinc/88/83/82/460888382.db2.gz DTBGDRCOJWBPBW-KBAYOESNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635696047 460888392 /nfs/dbraw/zinc/88/83/92/460888392.db2.gz DTBGDRCOJWBPBW-KBAYOESNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635696047 460888401 /nfs/dbraw/zinc/88/84/01/460888401.db2.gz DTBGDRCOJWBPBW-KBAYOESNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635696047 460888407 /nfs/dbraw/zinc/88/84/07/460888407.db2.gz DTBGDRCOJWBPBW-KBAYOESNSA-N 2 2 344.503 3.016 10 0 EGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189097 460902966 /nfs/dbraw/zinc/90/29/66/460902966.db2.gz YKLZUAINOXJFHB-AZUAARDMSA-N 2 2 334.479 3.380 10 0 EGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189097 460902971 /nfs/dbraw/zinc/90/29/71/460902971.db2.gz YKLZUAINOXJFHB-AZUAARDMSA-N 2 2 334.479 3.380 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000628214117 461052371 /nfs/dbraw/zinc/05/23/71/461052371.db2.gz KUZYZFNLJQCCBS-ZDUSSCGKSA-N 2 2 346.450 3.033 10 0 EGAELP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265202 461152774 /nfs/dbraw/zinc/15/27/74/461152774.db2.gz OBLFROUILOSTNK-DOMZBBRYSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265202 461152782 /nfs/dbraw/zinc/15/27/82/461152782.db2.gz OBLFROUILOSTNK-DOMZBBRYSA-N 2 2 328.378 3.391 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000662318795 461189506 /nfs/dbraw/zinc/18/95/06/461189506.db2.gz GSNRWUAKPFFHTJ-MRXNPFEDSA-N 2 2 330.394 3.248 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000662318795 461189512 /nfs/dbraw/zinc/18/95/12/461189512.db2.gz GSNRWUAKPFFHTJ-MRXNPFEDSA-N 2 2 330.394 3.248 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319327 461189695 /nfs/dbraw/zinc/18/96/95/461189695.db2.gz HKMIBNNHPTVDMJ-MAUKXSAKSA-N 2 2 326.431 3.459 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319327 461189700 /nfs/dbraw/zinc/18/97/00/461189700.db2.gz HKMIBNNHPTVDMJ-MAUKXSAKSA-N 2 2 326.431 3.459 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324648 461193098 /nfs/dbraw/zinc/19/30/98/461193098.db2.gz ZTSMKMUYBDJTDJ-MRXNPFEDSA-N 2 2 349.500 3.254 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324648 461193104 /nfs/dbraw/zinc/19/31/04/461193104.db2.gz ZTSMKMUYBDJTDJ-MRXNPFEDSA-N 2 2 349.500 3.254 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)CCO1 ZINC000662325695 461193504 /nfs/dbraw/zinc/19/35/04/461193504.db2.gz IFFAGYZLYCAIDF-OAHLLOKOSA-N 2 2 344.471 3.100 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)CCO1 ZINC000662325695 461193509 /nfs/dbraw/zinc/19/35/09/461193509.db2.gz IFFAGYZLYCAIDF-OAHLLOKOSA-N 2 2 344.471 3.100 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587949 461197489 /nfs/dbraw/zinc/19/74/89/461197489.db2.gz XIHJVOKHVAHYDA-DYESRHJHSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587949 461197497 /nfs/dbraw/zinc/19/74/97/461197497.db2.gz XIHJVOKHVAHYDA-DYESRHJHSA-N 2 2 338.499 3.220 10 0 EGAELP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000646395301 461234539 /nfs/dbraw/zinc/23/45/39/461234539.db2.gz VHOGQPFGBSZLPK-SFHVURJKSA-N 2 2 345.393 3.199 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000655756779 461423112 /nfs/dbraw/zinc/42/31/12/461423112.db2.gz YCAUMMUKOYPRBW-XJKSGUPXSA-N 2 2 331.485 3.200 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000642091693 461442931 /nfs/dbraw/zinc/44/29/31/461442931.db2.gz RHTINPIPVIHVBW-CHWSQXEVSA-N 2 2 325.391 3.289 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000642091693 461442941 /nfs/dbraw/zinc/44/29/41/461442941.db2.gz RHTINPIPVIHVBW-CHWSQXEVSA-N 2 2 325.391 3.289 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631035692 461486705 /nfs/dbraw/zinc/48/67/05/461486705.db2.gz VANXNSQFLOUJND-UHFFFAOYSA-N 2 2 332.673 3.071 10 0 EGAELP Cc1ccc2nc(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cn2c1 ZINC000647249341 461589680 /nfs/dbraw/zinc/58/96/80/461589680.db2.gz SXQMXBDLZOQCNK-QUCCMNQESA-N 2 2 334.467 3.078 10 0 EGAELP Cc1ccc2nc(C[NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cn2c1 ZINC000647249341 461589685 /nfs/dbraw/zinc/58/96/85/461589685.db2.gz SXQMXBDLZOQCNK-QUCCMNQESA-N 2 2 334.467 3.078 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647249211 461590354 /nfs/dbraw/zinc/59/03/54/461590354.db2.gz JJCFRJDPDRGXPI-CTNGQTDRSA-N 2 2 346.478 3.307 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647249211 461590367 /nfs/dbraw/zinc/59/03/67/461590367.db2.gz JJCFRJDPDRGXPI-CTNGQTDRSA-N 2 2 346.478 3.307 10 0 EGAELP CN(C)c1ccc(CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)c[nH+]1 ZINC000656108256 461593743 /nfs/dbraw/zinc/59/37/43/461593743.db2.gz WCHKXXXAMBMCKW-UHFFFAOYSA-N 2 2 340.475 3.176 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253526 461676670 /nfs/dbraw/zinc/67/66/70/461676670.db2.gz PBXLPCJITWLAMY-KXBFYZLASA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253526 461676679 /nfs/dbraw/zinc/67/66/79/461676679.db2.gz PBXLPCJITWLAMY-KXBFYZLASA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253526 461676688 /nfs/dbraw/zinc/67/66/88/461676688.db2.gz PBXLPCJITWLAMY-KXBFYZLASA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253526 461676698 /nfs/dbraw/zinc/67/66/98/461676698.db2.gz PBXLPCJITWLAMY-KXBFYZLASA-N 2 2 344.478 3.482 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401363 461734726 /nfs/dbraw/zinc/73/47/26/461734726.db2.gz DBRAJWNOXYZZJH-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401363 461734732 /nfs/dbraw/zinc/73/47/32/461734732.db2.gz DBRAJWNOXYZZJH-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2cccnc2)cc1 ZINC000656401363 461734740 /nfs/dbraw/zinc/73/47/40/461734740.db2.gz DBRAJWNOXYZZJH-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2cccnc2)cc1 ZINC000656401363 461734745 /nfs/dbraw/zinc/73/47/45/461734745.db2.gz DBRAJWNOXYZZJH-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP CO[C@@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)[C@@H]1CCOC1 ZINC000660451772 461786893 /nfs/dbraw/zinc/78/68/93/461786893.db2.gz GPANIOBTFFYNRF-UZLBHIALSA-N 2 2 343.471 3.033 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900957 461876722 /nfs/dbraw/zinc/87/67/22/461876722.db2.gz HXPUIXMICBEUMS-PNYFIKQUSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900957 461876728 /nfs/dbraw/zinc/87/67/28/461876728.db2.gz HXPUIXMICBEUMS-PNYFIKQUSA-N 2 2 343.515 3.025 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902002 461876961 /nfs/dbraw/zinc/87/69/61/461876961.db2.gz YNAGRNXZXHRUAW-MCIONIFRSA-N 2 2 332.473 3.323 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902002 461876966 /nfs/dbraw/zinc/87/69/66/461876966.db2.gz YNAGRNXZXHRUAW-MCIONIFRSA-N 2 2 332.473 3.323 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902048 461877355 /nfs/dbraw/zinc/87/73/55/461877355.db2.gz ZGBSTPVTSFFAQY-YQQAZPJKSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902048 461877362 /nfs/dbraw/zinc/87/73/62/461877362.db2.gz ZGBSTPVTSFFAQY-YQQAZPJKSA-N 2 2 349.906 3.439 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902811 461877938 /nfs/dbraw/zinc/87/79/38/461877938.db2.gz CGTYSADFXSYRFE-CGTJXYLNSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902811 461877946 /nfs/dbraw/zinc/87/79/46/461877946.db2.gz CGTYSADFXSYRFE-CGTJXYLNSA-N 2 2 329.488 3.040 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903277 461878043 /nfs/dbraw/zinc/87/80/43/461878043.db2.gz IPMFGSQLHBNKCY-KBXCAEBGSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903277 461878048 /nfs/dbraw/zinc/87/80/48/461878048.db2.gz IPMFGSQLHBNKCY-KBXCAEBGSA-N 2 2 346.425 3.115 10 0 EGAELP CC(C)(C)c1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000660761288 461957584 /nfs/dbraw/zinc/95/75/84/461957584.db2.gz WXXJBYXWEXQQFS-UHFFFAOYSA-N 2 2 330.516 3.311 10 0 EGAELP C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657326102 462048094 /nfs/dbraw/zinc/04/80/94/462048094.db2.gz TTZNCJVMJHCSFI-IAGOWNOFSA-N 2 2 341.503 3.113 10 0 EGAELP c1cc(C[NH2+]Cc2ccccc2OCC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657371009 462077683 /nfs/dbraw/zinc/07/76/83/462077683.db2.gz HMFLJDNDSUHCKB-UHFFFAOYSA-N 2 2 334.423 3.346 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387074 462089601 /nfs/dbraw/zinc/08/96/01/462089601.db2.gz PNTHGBHGGLDPIT-UZLBHIALSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387074 462089606 /nfs/dbraw/zinc/08/96/06/462089606.db2.gz PNTHGBHGGLDPIT-UZLBHIALSA-N 2 2 339.487 3.003 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)[nH]c2c1 ZINC000667602728 462167511 /nfs/dbraw/zinc/16/75/11/462167511.db2.gz KEWRDHFBCXYIDX-FQEVSTJZSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)[nH]c2c1 ZINC000667602728 462167517 /nfs/dbraw/zinc/16/75/17/462167517.db2.gz KEWRDHFBCXYIDX-FQEVSTJZSA-N 2 2 340.515 3.078 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667688057 462215751 /nfs/dbraw/zinc/21/57/51/462215751.db2.gz DOYYQLQTBWVDFF-KRWDZBQOSA-N 2 2 345.535 3.480 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667688057 462215756 /nfs/dbraw/zinc/21/57/56/462215756.db2.gz DOYYQLQTBWVDFF-KRWDZBQOSA-N 2 2 345.535 3.480 10 0 EGAELP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000657692102 462233059 /nfs/dbraw/zinc/23/30/59/462233059.db2.gz YVBQXTYMIAAENO-CRAIPNDOSA-N 2 2 341.484 3.168 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651644059 462288142 /nfs/dbraw/zinc/28/81/42/462288142.db2.gz ARLBFGHCLQPALU-VQIMIIECSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651644059 462288149 /nfs/dbraw/zinc/28/81/49/462288149.db2.gz ARLBFGHCLQPALU-VQIMIIECSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000651644059 462288156 /nfs/dbraw/zinc/28/81/56/462288156.db2.gz ARLBFGHCLQPALU-VQIMIIECSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000651644059 462288160 /nfs/dbraw/zinc/28/81/60/462288160.db2.gz ARLBFGHCLQPALU-VQIMIIECSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)c[nH+]c12 ZINC000667947759 462340472 /nfs/dbraw/zinc/34/04/72/462340472.db2.gz AHFUMXXXXNKTSZ-CYBMUJFWSA-N 2 2 343.456 3.129 10 0 EGAELP FCC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690874 462368235 /nfs/dbraw/zinc/36/82/35/462368235.db2.gz WFHISXSLJOJZFI-VQTJNVASSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690874 462368238 /nfs/dbraw/zinc/36/82/38/462368238.db2.gz WFHISXSLJOJZFI-VQTJNVASSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690874 462368241 /nfs/dbraw/zinc/36/82/41/462368241.db2.gz WFHISXSLJOJZFI-VQTJNVASSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690874 462368244 /nfs/dbraw/zinc/36/82/44/462368244.db2.gz WFHISXSLJOJZFI-VQTJNVASSA-N 2 2 334.479 3.349 10 0 EGAELP Brc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)s1 ZINC000665279670 462382838 /nfs/dbraw/zinc/38/28/38/462382838.db2.gz JENOZPVFUCKPCH-IMXVTNBVSA-N 2 2 327.291 3.303 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102885 462385083 /nfs/dbraw/zinc/38/50/83/462385083.db2.gz RHYOEACBMHZZTD-FTWQHDNSSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102885 462385087 /nfs/dbraw/zinc/38/50/87/462385087.db2.gz RHYOEACBMHZZTD-FTWQHDNSSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299091 462389943 /nfs/dbraw/zinc/38/99/43/462389943.db2.gz GCOIIYXJINVZCT-DBVUQKKJSA-N 2 2 346.478 3.408 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203260 462470592 /nfs/dbraw/zinc/47/05/92/462470592.db2.gz GLOXOKGRGGAHBX-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203260 462470596 /nfs/dbraw/zinc/47/05/96/462470596.db2.gz GLOXOKGRGGAHBX-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897821 533859299 /nfs/dbraw/zinc/85/92/99/533859299.db2.gz XZUFCIXVIAMJKG-LBPRGKRZSA-N 2 2 345.340 3.440 10 0 EGAELP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccccc1Cl ZINC000374206059 547804327 /nfs/dbraw/zinc/80/43/27/547804327.db2.gz CAJHJLLCEAEMLM-KRWDZBQOSA-N 2 2 344.846 3.048 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)n2)cc1 ZINC000374207381 547805261 /nfs/dbraw/zinc/80/52/61/547805261.db2.gz JDDHTGVCQDVHRA-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)cc1 ZINC000374207381 547805266 /nfs/dbraw/zinc/80/52/66/547805266.db2.gz JDDHTGVCQDVHRA-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289001 547805784 /nfs/dbraw/zinc/80/57/84/547805784.db2.gz ULLXKKVLLKVCKU-JKSUJKDBSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289001 547805785 /nfs/dbraw/zinc/80/57/85/547805785.db2.gz ULLXKKVLLKVCKU-JKSUJKDBSA-N 2 2 346.519 3.092 10 0 EGAELP Cc1cc(Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)nc(C)[nH+]1 ZINC000436438512 547904161 /nfs/dbraw/zinc/90/41/61/547904161.db2.gz IILKLWKPMRBREO-GASCZTMLSA-N 2 2 326.444 3.446 10 0 EGAELP Cc1cc(Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)nc(C)[nH+]1 ZINC000436438512 547904166 /nfs/dbraw/zinc/90/41/66/547904166.db2.gz IILKLWKPMRBREO-GASCZTMLSA-N 2 2 326.444 3.446 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000592401088 548104109 /nfs/dbraw/zinc/10/41/09/548104109.db2.gz CGPRJGMXTZUTPI-MYYSRTQBSA-N 2 2 341.480 3.273 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000671252780 548269244 /nfs/dbraw/zinc/26/92/44/548269244.db2.gz CUMXCQRUMCFTGT-QGZVFWFLSA-N 2 2 344.421 3.144 10 0 EGAELP CCC(CC)(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000675460151 548922243 /nfs/dbraw/zinc/92/22/43/548922243.db2.gz BZKOVRIAPHLIEX-UHFFFAOYSA-N 2 2 337.552 3.269 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744633 548972619 /nfs/dbraw/zinc/97/26/19/548972619.db2.gz QPVZYAAVLQDEHP-NHCUHLMSSA-N 2 2 335.495 3.377 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744633 548972625 /nfs/dbraw/zinc/97/26/25/548972625.db2.gz QPVZYAAVLQDEHP-NHCUHLMSSA-N 2 2 335.495 3.377 10 0 EGAELP Cc1noc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000676722038 549137102 /nfs/dbraw/zinc/13/71/02/549137102.db2.gz WHDFYTNSOFBWLY-RHSMWYFYSA-N 2 2 325.416 3.283 10 0 EGAELP Cc1nc([C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cs1 ZINC000678586882 549525751 /nfs/dbraw/zinc/52/57/51/549525751.db2.gz LQQWGBIJYCTOJJ-DZGCQCFKSA-N 2 2 344.484 3.130 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598228 549528210 /nfs/dbraw/zinc/52/82/10/549528210.db2.gz PBEZEBCWCSTFQU-HOJAQTOUSA-N 2 2 345.531 3.477 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598228 549528214 /nfs/dbraw/zinc/52/82/14/549528214.db2.gz PBEZEBCWCSTFQU-HOJAQTOUSA-N 2 2 345.531 3.477 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000678926106 549596133 /nfs/dbraw/zinc/59/61/33/549596133.db2.gz UKGYDAZTPZVITK-FGTMMUONSA-N 2 2 327.472 3.497 10 0 EGAELP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)[NH+]2CCCC2)c1 ZINC000684367758 550320192 /nfs/dbraw/zinc/32/01/92/550320192.db2.gz RUBBKNJQUSCWMP-IHPCNDPISA-N 2 2 332.488 3.379 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cn2[nH]c(C(C)(C)C)nc2=S)CC1 ZINC000738070600 576284578 /nfs/dbraw/zinc/28/45/78/576284578.db2.gz JDFGKEJXEWIGBG-UHFFFAOYSA-N 2 2 339.553 3.249 10 0 EGAELP CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000074229747 1292341383 /nfs/dbraw/zinc/34/13/83/1292341383.db2.gz FFKZERQDLHGMII-HNNXBMFYSA-N 2 2 334.423 3.083 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000160767387 1294277070 /nfs/dbraw/zinc/27/70/70/1294277070.db2.gz GKGCCIAICJAQGG-NQIIRXRSSA-N 3 2 329.532 3.359 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000160767387 1294277076 /nfs/dbraw/zinc/27/70/76/1294277076.db2.gz GKGCCIAICJAQGG-NQIIRXRSSA-N 3 2 329.532 3.359 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622147 1294351647 /nfs/dbraw/zinc/35/16/47/1294351647.db2.gz HIBFWRQXGZPJEW-LPHOPBHVSA-N 2 2 328.435 3.063 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622147 1294351649 /nfs/dbraw/zinc/35/16/49/1294351649.db2.gz HIBFWRQXGZPJEW-LPHOPBHVSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622147 1294351657 /nfs/dbraw/zinc/35/16/57/1294351657.db2.gz HIBFWRQXGZPJEW-LPHOPBHVSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622147 1294351668 /nfs/dbraw/zinc/35/16/68/1294351668.db2.gz HIBFWRQXGZPJEW-LPHOPBHVSA-N 2 2 328.435 3.063 10 0 EGAELP CC(C)COc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000236681215 1296195564 /nfs/dbraw/zinc/19/55/64/1296195564.db2.gz BXVZJKFQRGUOHT-FQEVSTJZSA-N 2 2 334.504 3.168 10 0 EGAELP CC(C)COc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000236681215 1296195567 /nfs/dbraw/zinc/19/55/67/1296195567.db2.gz BXVZJKFQRGUOHT-FQEVSTJZSA-N 2 2 334.504 3.168 10 0 EGAELP Brc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c2ncccc12 ZINC000873230153 1297374123 /nfs/dbraw/zinc/37/41/23/1297374123.db2.gz NANJUHNUFUINFB-NVXWUHKLSA-N 2 2 346.272 3.372 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000388218545 1297599837 /nfs/dbraw/zinc/59/98/37/1297599837.db2.gz XWTGAAHJXZCZDR-NEPJUHHUSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000388218545 1297599845 /nfs/dbraw/zinc/59/98/45/1297599845.db2.gz XWTGAAHJXZCZDR-NEPJUHHUSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1N ZINC000717605091 1298302016 /nfs/dbraw/zinc/30/20/16/1298302016.db2.gz CTCUMBZLVWQQGR-UHFFFAOYSA-N 2 2 339.483 3.374 10 0 EGAELP COc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1N ZINC000717605091 1298302037 /nfs/dbraw/zinc/30/20/37/1298302037.db2.gz CTCUMBZLVWQQGR-UHFFFAOYSA-N 2 2 339.483 3.374 10 0 EGAELP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H](CNc4cc(C)cc[nH+]4)C3)c12 ZINC000892220342 1305283350 /nfs/dbraw/zinc/28/33/50/1305283350.db2.gz WGCLYPCJNGAPNN-AWEZNQCLSA-N 2 2 336.443 3.162 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000894288471 1306323891 /nfs/dbraw/zinc/32/38/91/1306323891.db2.gz UWTNIKBBTUGXDV-RHSMWYFYSA-N 2 2 330.501 3.206 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288471 1306323901 /nfs/dbraw/zinc/32/39/01/1306323901.db2.gz UWTNIKBBTUGXDV-RHSMWYFYSA-N 2 2 330.501 3.206 10 0 EGAELP C[NH+](C)CC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894969082 1309137817 /nfs/dbraw/zinc/13/78/17/1309137817.db2.gz GTSIDQDZWLQYFW-MQVJKMGUSA-N 2 2 339.524 3.094 10 0 EGAELP COc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1 ZINC000895110937 1309195281 /nfs/dbraw/zinc/19/52/81/1309195281.db2.gz DJLPWQBJKSWWRI-QAQDUYKDSA-N 2 2 341.455 3.375 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cc(C(F)(F)F)n[nH]2)c2cccc[nH+]2)CC1 ZINC000895113183 1309196590 /nfs/dbraw/zinc/19/65/90/1309196590.db2.gz UPZCNTRMXPNZDX-AULYBMBSSA-N 2 2 339.365 3.100 10 0 EGAELP COC(=O)C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1C ZINC000895113191 1309196679 /nfs/dbraw/zinc/19/66/79/1309196679.db2.gz UWSSVQYGINKFQB-ILOCAZANSA-N 2 2 345.487 3.136 10 0 EGAELP Cc1ncc([C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC000895116896 1309197577 /nfs/dbraw/zinc/19/75/77/1309197577.db2.gz WLTLSOZBLZOHRB-XIRDDKMYSA-N 2 2 325.460 3.326 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671291 1309458724 /nfs/dbraw/zinc/45/87/24/1309458724.db2.gz IOHJAWOGKGQMLV-KRWDZBQOSA-N 2 2 332.488 3.161 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685459 1328668082 /nfs/dbraw/zinc/66/80/82/1328668082.db2.gz BGIZEVIMBOLZSP-OAGGEKHMSA-N 2 2 334.426 3.437 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685459 1328668083 /nfs/dbraw/zinc/66/80/83/1328668083.db2.gz BGIZEVIMBOLZSP-OAGGEKHMSA-N 2 2 334.426 3.437 10 0 EGAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858283329 1328728643 /nfs/dbraw/zinc/72/86/43/1328728643.db2.gz GZIHDDBUDUTUNS-ASKKUZCQSA-N 2 2 331.504 3.123 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455741 1328860248 /nfs/dbraw/zinc/86/02/48/1328860248.db2.gz AJGRFRHXIMNDCC-NRFANRHFSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455741 1328860262 /nfs/dbraw/zinc/86/02/62/1328860262.db2.gz AJGRFRHXIMNDCC-NRFANRHFSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455741 1328860268 /nfs/dbraw/zinc/86/02/68/1328860268.db2.gz AJGRFRHXIMNDCC-NRFANRHFSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455741 1328860272 /nfs/dbraw/zinc/86/02/72/1328860272.db2.gz AJGRFRHXIMNDCC-NRFANRHFSA-N 2 2 336.483 3.191 10 0 EGAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924561401 1323055222 /nfs/dbraw/zinc/05/52/22/1323055222.db2.gz VWSCKQAEMDESJE-XJKSGUPXSA-N 2 2 338.293 3.295 10 0 EGAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924561401 1323055230 /nfs/dbraw/zinc/05/52/30/1323055230.db2.gz VWSCKQAEMDESJE-XJKSGUPXSA-N 2 2 338.293 3.295 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c[nH+]1 ZINC000924625146 1323081713 /nfs/dbraw/zinc/08/17/13/1323081713.db2.gz NODHOSUGLGXFTO-VQTJNVASSA-N 2 2 325.456 3.226 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925779410 1325297545 /nfs/dbraw/zinc/29/75/45/1325297545.db2.gz NBJRMCAYBQYNIE-GHMZBOCLSA-N 2 2 348.821 3.253 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C[C@H](C3CC3)[N@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217832 1325476273 /nfs/dbraw/zinc/47/62/73/1325476273.db2.gz WUEYMQMEHHZTCU-FZQMEJGWSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217832 1325476277 /nfs/dbraw/zinc/47/62/77/1325476277.db2.gz WUEYMQMEHHZTCU-FZQMEJGWSA-N 2 2 328.500 3.444 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc2ccccc21 ZINC000926505094 1325579075 /nfs/dbraw/zinc/57/90/75/1325579075.db2.gz YIWUXRGORNCJTP-LPHOPBHVSA-N 2 2 342.483 3.346 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc2ccccc21 ZINC000926505094 1325579082 /nfs/dbraw/zinc/57/90/82/1325579082.db2.gz YIWUXRGORNCJTP-LPHOPBHVSA-N 2 2 342.483 3.346 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+](C)C ZINC000926965687 1327801439 /nfs/dbraw/zinc/80/14/39/1327801439.db2.gz SCISGIHBYQPGSR-OXJNMPFZSA-N 2 2 327.472 3.366 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548474 1329562602 /nfs/dbraw/zinc/56/26/02/1329562602.db2.gz XQNXHFHXQOVGIA-ABSDTBQOSA-N 3 2 345.531 3.472 10 0 EGAELP C[NH+](C)CCOc1cc(C[NH2+]Cc2nc(C(C)(C)C)cs2)ccn1 ZINC000865513114 1329707867 /nfs/dbraw/zinc/70/78/67/1329707867.db2.gz GDEBZZWCERYGNW-UHFFFAOYSA-N 2 2 348.516 3.066 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866703205 1330142286 /nfs/dbraw/zinc/14/22/86/1330142286.db2.gz GKXPYNHLJLLMPG-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866703205 1330142288 /nfs/dbraw/zinc/14/22/88/1330142288.db2.gz GKXPYNHLJLLMPG-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708242 1330143664 /nfs/dbraw/zinc/14/36/64/1330143664.db2.gz YNGWWLGXJBCSBP-KXBFYZLASA-N 2 2 327.476 3.025 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708242 1330143666 /nfs/dbraw/zinc/14/36/66/1330143666.db2.gz YNGWWLGXJBCSBP-KXBFYZLASA-N 2 2 327.476 3.025 10 0 EGAELP CC/C=C(/F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866958738 1330160898 /nfs/dbraw/zinc/16/08/98/1330160898.db2.gz WHNRMWMBGUPUMV-ACHCSXDHSA-N 2 2 339.499 3.045 10 0 EGAELP CC/C=C(/F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866958738 1330160899 /nfs/dbraw/zinc/16/08/99/1330160899.db2.gz WHNRMWMBGUPUMV-ACHCSXDHSA-N 2 2 339.499 3.045 10 0 EGAELP Cc1[nH+]c([C@H](N[C@H]2CCc3[nH+]ccn3C2)C(F)(F)F)c2ccccn12 ZINC000952877643 1334585906 /nfs/dbraw/zinc/58/59/06/1334585906.db2.gz SSIBYQPSRDDFTN-LRDDRELGSA-N 2 2 349.360 3.047 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641839 1387415607 /nfs/dbraw/zinc/41/56/07/1387415607.db2.gz KUKAIPIQQNZFMD-QZTJIDSGSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641839 1387415608 /nfs/dbraw/zinc/41/56/08/1387415608.db2.gz KUKAIPIQQNZFMD-QZTJIDSGSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)=CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001323721056 1387430391 /nfs/dbraw/zinc/43/03/91/1387430391.db2.gz CZKAMCQARJVRIP-UHFFFAOYSA-N 2 2 346.519 3.380 10 0 EGAELP CC(C)=CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001323721056 1387430392 /nfs/dbraw/zinc/43/03/92/1387430392.db2.gz CZKAMCQARJVRIP-UHFFFAOYSA-N 2 2 346.519 3.380 10 0 EGAELP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001324031066 1387514448 /nfs/dbraw/zinc/51/44/48/1387514448.db2.gz VBQBUHHRRSYHJJ-FQEVSTJZSA-N 2 2 343.515 3.012 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001324508844 1387656662 /nfs/dbraw/zinc/65/66/62/1387656662.db2.gz DFYHSIVWJMZAJJ-LJQANCHMSA-N 2 2 346.519 3.106 10 0 EGAELP C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001119540913 1371364374 /nfs/dbraw/zinc/36/43/74/1371364374.db2.gz LMRJCAYXMMYESK-IAGOWNOFSA-N 2 2 340.471 3.172 10 0 EGAELP FC(F)(F)[C@H]1CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC001119729543 1371394411 /nfs/dbraw/zinc/39/44/11/1371394411.db2.gz QOWKEMXPUWKQLJ-HZPDHXFCSA-N 2 2 345.409 3.485 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001326586224 1388249807 /nfs/dbraw/zinc/24/98/07/1388249807.db2.gz URGXRIJJWWQRET-IAGOWNOFSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001326586224 1388249812 /nfs/dbraw/zinc/24/98/12/1388249812.db2.gz URGXRIJJWWQRET-IAGOWNOFSA-N 2 2 344.503 3.018 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157805 1388412916 /nfs/dbraw/zinc/41/29/16/1388412916.db2.gz VCBDGILIAKKGHJ-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157805 1388412917 /nfs/dbraw/zinc/41/29/17/1388412917.db2.gz VCBDGILIAKKGHJ-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157805 1388412918 /nfs/dbraw/zinc/41/29/18/1388412918.db2.gz VCBDGILIAKKGHJ-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157805 1388412919 /nfs/dbraw/zinc/41/29/19/1388412919.db2.gz VCBDGILIAKKGHJ-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265977405 1377175007 /nfs/dbraw/zinc/17/50/07/1377175007.db2.gz ZIFLWYJXJDTHMB-VGOKWCNXSA-N 2 2 340.471 3.051 10 0 EGAELP CCCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001327454467 1388523027 /nfs/dbraw/zinc/52/30/27/1388523027.db2.gz APQSBRATOWDSCQ-UHFFFAOYSA-N 2 2 334.508 3.088 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274625621 1378130653 /nfs/dbraw/zinc/13/06/53/1378130653.db2.gz VYUZOSUQXULHLT-WBXGCANISA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274625621 1378130659 /nfs/dbraw/zinc/13/06/59/1378130659.db2.gz VYUZOSUQXULHLT-WBXGCANISA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274625621 1378130661 /nfs/dbraw/zinc/13/06/61/1378130661.db2.gz VYUZOSUQXULHLT-WBXGCANISA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274625621 1378130664 /nfs/dbraw/zinc/13/06/64/1378130664.db2.gz VYUZOSUQXULHLT-WBXGCANISA-N 2 2 332.492 3.058 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001278272861 1378265446 /nfs/dbraw/zinc/26/54/46/1378265446.db2.gz FOBLXMABTBLQTK-ZBFHGGJFSA-N 2 2 328.460 3.192 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001280745281 1378368737 /nfs/dbraw/zinc/36/87/37/1378368737.db2.gz BFQLTTWPWAOTBC-KRWDZBQOSA-N 2 2 334.508 3.088 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001280745281 1378368741 /nfs/dbraw/zinc/36/87/41/1378368741.db2.gz BFQLTTWPWAOTBC-KRWDZBQOSA-N 2 2 334.508 3.088 10 0 EGAELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC001283680132 1379109967 /nfs/dbraw/zinc/10/99/67/1379109967.db2.gz ZHGQAWCRTIHRKI-CABCVRRESA-N 2 2 348.878 3.124 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058505 1379411243 /nfs/dbraw/zinc/41/12/43/1379411243.db2.gz QQYNKBDSHVBBEO-DYIICSRESA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058505 1379411245 /nfs/dbraw/zinc/41/12/45/1379411245.db2.gz QQYNKBDSHVBBEO-DYIICSRESA-N 2 2 344.503 3.133 10 0 EGAELP C[C@H](CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)n1cc[nH+]c1 ZINC001284066145 1379422329 /nfs/dbraw/zinc/42/23/29/1379422329.db2.gz FEYKMKSTXBHYPP-YVWKXTFCSA-N 2 2 344.503 3.138 10 0 EGAELP C[C@H](CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)n1cc[nH+]c1 ZINC001284066145 1379422332 /nfs/dbraw/zinc/42/23/32/1379422332.db2.gz FEYKMKSTXBHYPP-YVWKXTFCSA-N 2 2 344.503 3.138 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001328258123 1388701260 /nfs/dbraw/zinc/70/12/60/1388701260.db2.gz OANQMVHHUGZPPE-QZTJIDSGSA-N 2 2 348.535 3.332 10 0 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MWIDUNJCGKMBHS-MJSXRHKHSA-N 2 2 340.471 3.361 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317139657 1384906354 /nfs/dbraw/zinc/90/63/54/1384906354.db2.gz MWIDUNJCGKMBHS-MJSXRHKHSA-N 2 2 340.471 3.361 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001329084844 1388960275 /nfs/dbraw/zinc/96/02/75/1388960275.db2.gz HJFKPQVATUEMOR-LSDHHAIUSA-N 2 2 340.471 3.011 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001175211414 1385222069 /nfs/dbraw/zinc/22/20/69/1385222069.db2.gz ODPIFGMDBTZPLR-UHFFFAOYSA-N 3 2 338.499 3.489 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317758109 1385447926 /nfs/dbraw/zinc/44/79/26/1385447926.db2.gz DVKGXTBMGYTJSE-RCCFBDPRSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317758109 1385447927 /nfs/dbraw/zinc/44/79/27/1385447927.db2.gz DVKGXTBMGYTJSE-RCCFBDPRSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317758109 1385447931 /nfs/dbraw/zinc/44/79/31/1385447931.db2.gz DVKGXTBMGYTJSE-RCCFBDPRSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317758109 1385447933 /nfs/dbraw/zinc/44/79/33/1385447933.db2.gz DVKGXTBMGYTJSE-RCCFBDPRSA-N 2 2 346.519 3.262 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317789666 1385482362 /nfs/dbraw/zinc/48/23/62/1385482362.db2.gz PXWNEFNAIDVMAR-SFHVURJKSA-N 2 2 348.535 3.191 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317789666 1385482369 /nfs/dbraw/zinc/48/23/69/1385482369.db2.gz PXWNEFNAIDVMAR-SFHVURJKSA-N 2 2 348.535 3.191 10 0 EGAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318558836 1385755947 /nfs/dbraw/zinc/75/59/47/1385755947.db2.gz RHXGGFKMJLCIOW-ZWKOTPCHSA-N 2 2 342.487 3.136 10 0 EGAELP 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/nfs/dbraw/zinc/98/16/49/1385981649.db2.gz TXWPDCQWMUJPNA-GOSISDBHSA-N 2 2 346.519 3.024 10 0 EGAELP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001319150686 1385981653 /nfs/dbraw/zinc/98/16/53/1385981653.db2.gz TXWPDCQWMUJPNA-GOSISDBHSA-N 2 2 346.519 3.024 10 0 EGAELP CCCC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC001319378916 1386092333 /nfs/dbraw/zinc/09/23/33/1386092333.db2.gz JVYNUCGPLCTLKS-UHFFFAOYSA-N 2 2 342.487 3.004 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319459573 1386130455 /nfs/dbraw/zinc/13/04/55/1386130455.db2.gz ALNKIBJRDJOUQG-KXPUMZMLSA-N 2 2 342.487 3.439 10 0 EGAELP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320021713 1386457958 /nfs/dbraw/zinc/45/79/58/1386457958.db2.gz RPCWAATZWWYLBS-FQEVSTJZSA-N 2 2 348.450 3.254 10 0 EGAELP CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320021713 1386457960 /nfs/dbraw/zinc/45/79/60/1386457960.db2.gz RPCWAATZWWYLBS-FQEVSTJZSA-N 2 2 348.450 3.254 10 0 EGAELP C[C@H](CC(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001698699878 1406342968 /nfs/dbraw/zinc/34/29/68/1406342968.db2.gz ITPKSEVZFVZEMQ-TVRKMHQQSA-N 2 2 346.519 3.099 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001329342419 1389069307 /nfs/dbraw/zinc/06/93/07/1389069307.db2.gz ZGJIZGBMAAOVEP-HNNXBMFYSA-N 2 2 336.524 3.099 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001329342419 1389069314 /nfs/dbraw/zinc/06/93/14/1389069314.db2.gz ZGJIZGBMAAOVEP-HNNXBMFYSA-N 2 2 336.524 3.099 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CC3=CCCCC3)ccn12 ZINC001329442736 1389112893 /nfs/dbraw/zinc/11/28/93/1389112893.db2.gz UDLFSEFQXWJJER-HNNXBMFYSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CC3=CCCCC3)ccn12 ZINC001329442736 1389112895 /nfs/dbraw/zinc/11/28/95/1389112895.db2.gz UDLFSEFQXWJJER-HNNXBMFYSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C2C[NH+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001330022678 1389287701 /nfs/dbraw/zinc/28/77/01/1389287701.db2.gz SMAVFJUKPSVBCI-MRXNPFEDSA-N 2 2 348.535 3.189 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001330022641 1389287842 /nfs/dbraw/zinc/28/78/42/1389287842.db2.gz SARIGTBIOASNPE-AEFFLSMTSA-N 2 2 348.535 3.343 10 0 EGAELP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001331647093 1389846884 /nfs/dbraw/zinc/84/68/84/1389846884.db2.gz LYVZTCLMVLGMFM-PBHICJAKSA-N 2 2 348.878 3.124 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001332221563 1390054579 /nfs/dbraw/zinc/05/45/79/1390054579.db2.gz YXQJDKZTBYKPII-JISXSJDESA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001332221563 1390054583 /nfs/dbraw/zinc/05/45/83/1390054583.db2.gz YXQJDKZTBYKPII-JISXSJDESA-N 2 2 346.519 3.068 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001332835132 1390196718 /nfs/dbraw/zinc/19/67/18/1390196718.db2.gz ZENWSENXTRMRSB-MOPGFXCFSA-N 2 2 325.456 3.491 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001332835132 1390196719 /nfs/dbraw/zinc/19/67/19/1390196719.db2.gz ZENWSENXTRMRSB-MOPGFXCFSA-N 2 2 325.456 3.491 10 0 EGAELP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001479612139 1392286812 /nfs/dbraw/zinc/28/68/12/1392286812.db2.gz IGEDDDZVRPEPPM-NEWSRXKRSA-N 2 2 346.519 3.069 10 0 EGAELP CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001479612139 1392286814 /nfs/dbraw/zinc/28/68/14/1392286814.db2.gz IGEDDDZVRPEPPM-NEWSRXKRSA-N 2 2 346.519 3.069 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](C/C=C\Cl)[C@@H]1C)c1ccccc1 ZINC001479725337 1392339750 /nfs/dbraw/zinc/33/97/50/1392339750.db2.gz IZLIDSVLZKAVIA-GBSNCSOOSA-N 2 2 349.906 3.011 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](C/C=C\Cl)[C@@H]1C)c1ccccc1 ZINC001479725337 1392339755 /nfs/dbraw/zinc/33/97/55/1392339755.db2.gz IZLIDSVLZKAVIA-GBSNCSOOSA-N 2 2 349.906 3.011 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](C/C=C\Cl)[C@@H]1C)c1ccccc1 ZINC001479725337 1392339759 /nfs/dbraw/zinc/33/97/59/1392339759.db2.gz IZLIDSVLZKAVIA-GBSNCSOOSA-N 2 2 349.906 3.011 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1C)c1ccccc1 ZINC001479725337 1392339763 /nfs/dbraw/zinc/33/97/63/1392339763.db2.gz IZLIDSVLZKAVIA-GBSNCSOOSA-N 2 2 349.906 3.011 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479739363 1392352349 /nfs/dbraw/zinc/35/23/49/1392352349.db2.gz WESRQZTYVUSSJX-DKFQHHCZSA-N 2 2 346.519 3.320 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479739363 1392352352 /nfs/dbraw/zinc/35/23/52/1392352352.db2.gz WESRQZTYVUSSJX-DKFQHHCZSA-N 2 2 346.519 3.320 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001480364013 1392707929 /nfs/dbraw/zinc/70/79/29/1392707929.db2.gz GXBARQLFCYKSHQ-SFHVURJKSA-N 2 2 346.519 3.283 10 0 EGAELP C[C@@H](CC(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1)n1cc[nH+]c1 ZINC001481187109 1393145472 /nfs/dbraw/zinc/14/54/72/1393145472.db2.gz GBBFWGHDKOAFAI-ADKAHSJRSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1)n1cc[nH+]c1 ZINC001481187109 1393145479 /nfs/dbraw/zinc/14/54/79/1393145479.db2.gz GBBFWGHDKOAFAI-ADKAHSJRSA-N 2 2 346.519 3.241 10 0 EGAELP CCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001698881869 1406611974 /nfs/dbraw/zinc/61/19/74/1406611974.db2.gz OXDCGWPUKDOKGA-SFHVURJKSA-N 2 2 328.460 3.241 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481339733 1393167343 /nfs/dbraw/zinc/16/73/43/1393167343.db2.gz KWDHFFMSWOSNES-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001698917425 1406651889 /nfs/dbraw/zinc/65/18/89/1406651889.db2.gz OFENFPPBQBLRMV-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001698917425 1406651894 /nfs/dbraw/zinc/65/18/94/1406651894.db2.gz OFENFPPBQBLRMV-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001698932517 1406670551 /nfs/dbraw/zinc/67/05/51/1406670551.db2.gz CJEPQAWNHPVECA-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481857156 1394562173 /nfs/dbraw/zinc/56/21/73/1394562173.db2.gz LIVHKMAYZIOMMT-DOTOQJQBSA-N 2 2 346.519 3.043 10 0 EGAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481857156 1394562175 /nfs/dbraw/zinc/56/21/75/1394562175.db2.gz LIVHKMAYZIOMMT-DOTOQJQBSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001481961884 1394623016 /nfs/dbraw/zinc/62/30/16/1394623016.db2.gz OKFYSSFJDZUGCM-PXNSSMCTSA-N 2 2 348.535 3.054 10 0 EGAELP CCC[NH2+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001482000506 1394660150 /nfs/dbraw/zinc/66/01/50/1394660150.db2.gz DIFJWNXSZXZDNU-UHFFFAOYSA-N 2 2 340.471 3.114 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001482024649 1394682661 /nfs/dbraw/zinc/68/26/61/1394682661.db2.gz ZJWSXHHOXTYJJP-BRWVUGGUSA-N 2 2 348.535 3.432 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001482024649 1394682663 /nfs/dbraw/zinc/68/26/63/1394682663.db2.gz ZJWSXHHOXTYJJP-BRWVUGGUSA-N 2 2 348.535 3.432 10 0 EGAELP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001482242242 1394838753 /nfs/dbraw/zinc/83/87/53/1394838753.db2.gz BKJHHMVAGPMQMC-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482452744 1395011347 /nfs/dbraw/zinc/01/13/47/1395011347.db2.gz HDLCBZHCFYOZDV-JKSUJKDBSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001482493917 1395046142 /nfs/dbraw/zinc/04/61/42/1395046142.db2.gz IJCAPYPTUUYSAI-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001483968086 1395168297 /nfs/dbraw/zinc/16/82/97/1395168297.db2.gz UBJYRLZVLQSMHT-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001484984397 1395626708 /nfs/dbraw/zinc/62/67/08/1395626708.db2.gz ZDSGIQBIDIKUOF-LUNNPTDRSA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001484984397 1395626713 /nfs/dbraw/zinc/62/67/13/1395626713.db2.gz ZDSGIQBIDIKUOF-LUNNPTDRSA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001484984390 1395627103 /nfs/dbraw/zinc/62/71/03/1395627103.db2.gz ZDSGIQBIDIKUOF-IBQUMJASSA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001484984390 1395627106 /nfs/dbraw/zinc/62/71/06/1395627106.db2.gz ZDSGIQBIDIKUOF-IBQUMJASSA-N 2 2 346.519 3.068 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC([N@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001485759458 1396135317 /nfs/dbraw/zinc/13/53/17/1396135317.db2.gz VRWXMTZLERCDTL-LJQANCHMSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001485759458 1396135322 /nfs/dbraw/zinc/13/53/22/1396135322.db2.gz VRWXMTZLERCDTL-LJQANCHMSA-N 2 2 346.519 3.193 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001498077111 1396918371 /nfs/dbraw/zinc/91/83/71/1396918371.db2.gz JTFWSASXNVAEIG-INIZCTEOSA-N 2 2 340.471 3.161 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001498342446 1396969435 /nfs/dbraw/zinc/96/94/35/1396969435.db2.gz IRNQPPWLEIKQLB-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001498342446 1396969439 /nfs/dbraw/zinc/96/94/39/1396969439.db2.gz IRNQPPWLEIKQLB-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001690232970 1404428622 /nfs/dbraw/zinc/42/86/22/1404428622.db2.gz FPUGLUVMGPVCDT-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690316840 1404473718 /nfs/dbraw/zinc/47/37/18/1404473718.db2.gz DEWQXXCCZSHTSC-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690316840 1404473722 /nfs/dbraw/zinc/47/37/22/1404473722.db2.gz DEWQXXCCZSHTSC-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690316840 1404473725 /nfs/dbraw/zinc/47/37/25/1404473725.db2.gz DEWQXXCCZSHTSC-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690316840 1404473726 /nfs/dbraw/zinc/47/37/26/1404473726.db2.gz DEWQXXCCZSHTSC-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390514 1404528567 /nfs/dbraw/zinc/52/85/67/1404528567.db2.gz QIHMTYICXVKSSI-MJGOQNOKSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390514 1404528571 /nfs/dbraw/zinc/52/85/71/1404528571.db2.gz QIHMTYICXVKSSI-MJGOQNOKSA-N 2 2 344.503 3.163 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690414229 1404546295 /nfs/dbraw/zinc/54/62/95/1404546295.db2.gz URNOBHZHDZKMPB-MRXNPFEDSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690483988 1404600737 /nfs/dbraw/zinc/60/07/37/1404600737.db2.gz ACRMVDKWAIYQOE-MRXNPFEDSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001690752173 1404709084 /nfs/dbraw/zinc/70/90/84/1404709084.db2.gz ZYNLFNKJZLTMNV-QGZVFWFLSA-N 2 2 346.519 3.096 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001690781766 1404729460 /nfs/dbraw/zinc/72/94/60/1404729460.db2.gz SYVUNZCUJDINBS-IAGOWNOFSA-N 2 2 342.487 3.002 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788117 1404734567 /nfs/dbraw/zinc/73/45/67/1404734567.db2.gz OAUHYRUMSHJCHK-QZTJIDSGSA-N 2 2 346.519 3.248 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCC(C)(C)CC1 ZINC001725412990 1426057815 /nfs/dbraw/zinc/05/78/15/1426057815.db2.gz MJPLMFVGAZKRRP-HNNXBMFYSA-N 2 2 348.535 3.352 10 0 EGAELP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCCC1 ZINC001691031746 1404941078 /nfs/dbraw/zinc/94/10/78/1404941078.db2.gz QWCMOWWHLURBJA-UHFFFAOYSA-N 2 2 342.487 3.356 10 0 EGAELP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCCC1 ZINC001691031746 1404941081 /nfs/dbraw/zinc/94/10/81/1404941081.db2.gz QWCMOWWHLURBJA-UHFFFAOYSA-N 2 2 342.487 3.356 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691086622 1405020362 /nfs/dbraw/zinc/02/03/62/1405020362.db2.gz VCTDSVPDIAUUPY-CWDCEQMOSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691086622 1405020366 /nfs/dbraw/zinc/02/03/66/1405020366.db2.gz VCTDSVPDIAUUPY-CWDCEQMOSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691890080 1405613226 /nfs/dbraw/zinc/61/32/26/1405613226.db2.gz TUZGKNOFBUBTJH-OEQZANGBSA-N 2 2 340.471 3.407 10 0 EGAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001691912875 1405638745 /nfs/dbraw/zinc/63/87/45/1405638745.db2.gz VYZBKHJMYHWXHD-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001691912875 1405638748 /nfs/dbraw/zinc/63/87/48/1405638748.db2.gz VYZBKHJMYHWXHD-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001691960197 1405677411 /nfs/dbraw/zinc/67/74/11/1405677411.db2.gz MVIPZKYOCWNBHH-GOSISDBHSA-N 2 2 346.519 3.166 10 0 EGAELP 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OHDRLAZIQJDFGG-VQIMIIECSA-N 2 2 330.476 3.278 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328625117 258033151 /nfs/dbraw/zinc/03/31/51/258033151.db2.gz CTHBVLLJMLZXED-PBEJRMEISA-N 2 2 339.483 3.304 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328625117 258033152 /nfs/dbraw/zinc/03/31/52/258033152.db2.gz CTHBVLLJMLZXED-PBEJRMEISA-N 2 2 339.483 3.304 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000344524875 141168624 /nfs/dbraw/zinc/16/86/24/141168624.db2.gz HKPPNZMBNCLPFF-XJKSGUPXSA-N 2 2 348.468 3.300 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000344524875 141168625 /nfs/dbraw/zinc/16/86/25/141168625.db2.gz HKPPNZMBNCLPFF-XJKSGUPXSA-N 2 2 348.468 3.300 10 0 EGAELP CN(C)c1ncccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806142 549334886 /nfs/dbraw/zinc/33/48/86/549334886.db2.gz VKBATYGYYALIMS-LJQANCHMSA-N 2 2 338.499 3.290 10 0 EGAELP 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/nfs/dbraw/zinc/15/67/88/144156788.db2.gz OGGUPHAYAGJDGV-DYVFJYSZSA-N 2 2 333.382 3.317 10 0 EGAELP C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000187298807 144156789 /nfs/dbraw/zinc/15/67/89/144156789.db2.gz OGGUPHAYAGJDGV-DYVFJYSZSA-N 2 2 333.382 3.317 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncnc3c2C[N@H+](C)CC3)cc1 ZINC000364075221 144390178 /nfs/dbraw/zinc/39/01/78/144390178.db2.gz IWAORQHMPPWPLL-CQSZACIVSA-N 2 2 348.454 3.132 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC000364075221 144390181 /nfs/dbraw/zinc/39/01/81/144390181.db2.gz IWAORQHMPPWPLL-CQSZACIVSA-N 2 2 348.454 3.132 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153119576 152526996 /nfs/dbraw/zinc/52/69/96/152526996.db2.gz PQHNKWCKNLWPQJ-WMLDXEAASA-N 2 2 338.879 3.112 10 0 EGAELP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188400434 153013666 /nfs/dbraw/zinc/01/36/66/153013666.db2.gz KVTLNBYJSCOBBB-GOSISDBHSA-N 2 2 341.846 3.387 10 0 EGAELP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188400434 153013669 /nfs/dbraw/zinc/01/36/69/153013669.db2.gz KVTLNBYJSCOBBB-GOSISDBHSA-N 2 2 341.846 3.387 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000188409068 153013822 /nfs/dbraw/zinc/01/38/22/153013822.db2.gz NNKVIEPTNKYNCO-CQSZACIVSA-N 2 2 335.835 3.218 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000188409068 153013825 /nfs/dbraw/zinc/01/38/25/153013825.db2.gz NNKVIEPTNKYNCO-CQSZACIVSA-N 2 2 335.835 3.218 10 0 EGAELP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000190753370 153158022 /nfs/dbraw/zinc/15/80/22/153158022.db2.gz ZJOYDBNXRSZAFW-UHFFFAOYSA-N 2 2 343.434 3.407 10 0 EGAELP c1cn(-c2ccccc2)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000190767334 153158367 /nfs/dbraw/zinc/15/83/67/153158367.db2.gz UAPBMKWBNWGSTQ-UHFFFAOYSA-N 2 2 333.439 3.026 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000194735010 153355183 /nfs/dbraw/zinc/35/51/83/153355183.db2.gz MZHYQCXYAZDGNW-INIZCTEOSA-N 2 2 347.478 3.269 10 0 EGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733498 153356183 /nfs/dbraw/zinc/35/61/83/153356183.db2.gz FOLUOOJISNKJSV-HNNXBMFYSA-N 2 2 349.906 3.475 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310168851 154139278 /nfs/dbraw/zinc/13/92/78/154139278.db2.gz KMUXIIVUZPUJFC-SFHVURJKSA-N 2 2 325.456 3.010 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310168851 154139282 /nfs/dbraw/zinc/13/92/82/154139282.db2.gz KMUXIIVUZPUJFC-SFHVURJKSA-N 2 2 325.456 3.010 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310231135 154143261 /nfs/dbraw/zinc/14/32/61/154143261.db2.gz JPOWVMDMTZRELA-IXDOHACOSA-N 2 2 344.890 3.074 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310231135 154143263 /nfs/dbraw/zinc/14/32/63/154143263.db2.gz JPOWVMDMTZRELA-IXDOHACOSA-N 2 2 344.890 3.074 10 0 EGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486062 154377327 /nfs/dbraw/zinc/37/73/27/154377327.db2.gz IEKMUGMAGPJOOB-SJLPKXTDSA-N 2 2 347.503 3.377 10 0 EGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486062 154377329 /nfs/dbraw/zinc/37/73/29/154377329.db2.gz IEKMUGMAGPJOOB-SJLPKXTDSA-N 2 2 347.503 3.377 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500212 154385794 /nfs/dbraw/zinc/38/57/94/154385794.db2.gz VFHIHDZFOIJMKV-GVDBMIGSSA-N 2 2 346.519 3.092 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500212 154385798 /nfs/dbraw/zinc/38/57/98/154385798.db2.gz VFHIHDZFOIJMKV-GVDBMIGSSA-N 2 2 346.519 3.092 10 0 EGAELP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000348965599 156302792 /nfs/dbraw/zinc/30/27/92/156302792.db2.gz BZCYRZIDCCEYCJ-UHFFFAOYSA-N 2 2 346.434 3.259 10 0 EGAELP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000348965599 156302796 /nfs/dbraw/zinc/30/27/96/156302796.db2.gz BZCYRZIDCCEYCJ-UHFFFAOYSA-N 2 2 346.434 3.259 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000109005794 162090066 /nfs/dbraw/zinc/09/00/66/162090066.db2.gz YMILTSZWKZJQSU-SFHVURJKSA-N 2 2 346.519 3.169 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000109005794 162090070 /nfs/dbraw/zinc/09/00/70/162090070.db2.gz YMILTSZWKZJQSU-SFHVURJKSA-N 2 2 346.519 3.169 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000123258319 162253318 /nfs/dbraw/zinc/25/33/18/162253318.db2.gz GUKYDRHXPKUWNZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000123258319 162253320 /nfs/dbraw/zinc/25/33/20/162253320.db2.gz GUKYDRHXPKUWNZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000123258319 162253322 /nfs/dbraw/zinc/25/33/22/162253322.db2.gz GUKYDRHXPKUWNZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000123258319 162253323 /nfs/dbraw/zinc/25/33/23/162253323.db2.gz GUKYDRHXPKUWNZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1cc(CCC2CC[NH+](CCn3cc[nH+]c3)CC2)cc(OC)c1 ZINC000130572421 162372722 /nfs/dbraw/zinc/37/27/22/162372722.db2.gz IIJMVRYOBOBHAH-UHFFFAOYSA-N 2 2 343.471 3.245 10 0 EGAELP OC(C[NH+]1CCC[C@H]1c1ccco1)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248749879 163032756 /nfs/dbraw/zinc/03/27/56/163032756.db2.gz UCKFJFYRVDCKJE-IRXDYDNUSA-N 2 2 330.428 3.208 10 0 EGAELP OC(C[NH+]1CCC[C@H]1c1ccco1)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000248749879 163032758 /nfs/dbraw/zinc/03/27/58/163032758.db2.gz UCKFJFYRVDCKJE-IRXDYDNUSA-N 2 2 330.428 3.208 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H](CNc3cccc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000338748178 163337484 /nfs/dbraw/zinc/33/74/84/163337484.db2.gz HKCDYISYHXUJGD-LJQANCHMSA-N 2 2 337.467 3.422 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000338748178 163337487 /nfs/dbraw/zinc/33/74/87/163337487.db2.gz HKCDYISYHXUJGD-LJQANCHMSA-N 2 2 337.467 3.422 10 0 EGAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354806545 166037452 /nfs/dbraw/zinc/03/74/52/166037452.db2.gz LTPHTGLNGPYKCV-HZPDHXFCSA-N 2 2 348.535 3.265 10 0 EGAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354806545 166037453 /nfs/dbraw/zinc/03/74/53/166037453.db2.gz LTPHTGLNGPYKCV-HZPDHXFCSA-N 2 2 348.535 3.265 10 0 EGAELP c1cn(-c2csc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)c2)c[nH+]1 ZINC000344356105 164163513 /nfs/dbraw/zinc/16/35/13/164163513.db2.gz LYAPSRSHJACXTK-UHFFFAOYSA-N 2 2 339.420 3.441 10 0 EGAELP c1csc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000346176732 164357199 /nfs/dbraw/zinc/35/71/99/164357199.db2.gz RJTJSOKYMPSTKC-UHFFFAOYSA-N 2 2 330.482 3.318 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@@H+]1C ZINC000346314563 164368299 /nfs/dbraw/zinc/36/82/99/164368299.db2.gz RTDVGVVRGXWRQT-NVXWUHKLSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@H+]1C ZINC000346314563 164368300 /nfs/dbraw/zinc/36/83/00/164368300.db2.gz RTDVGVVRGXWRQT-NVXWUHKLSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314563 164368301 /nfs/dbraw/zinc/36/83/01/164368301.db2.gz RTDVGVVRGXWRQT-NVXWUHKLSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314563 164368302 /nfs/dbraw/zinc/36/83/02/164368302.db2.gz RTDVGVVRGXWRQT-NVXWUHKLSA-N 2 2 326.444 3.183 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)[nH]1 ZINC000352338142 165351016 /nfs/dbraw/zinc/35/10/16/165351016.db2.gz OZIMPMLYEAERJP-AWEZNQCLSA-N 2 2 325.441 3.308 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)[nH]1 ZINC000352338142 165351022 /nfs/dbraw/zinc/35/10/22/165351022.db2.gz OZIMPMLYEAERJP-AWEZNQCLSA-N 2 2 325.441 3.308 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)[nH]1 ZINC000352338143 165351411 /nfs/dbraw/zinc/35/14/11/165351411.db2.gz OZIMPMLYEAERJP-CQSZACIVSA-N 2 2 325.441 3.308 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)[nH]1 ZINC000352338143 165351414 /nfs/dbraw/zinc/35/14/14/165351414.db2.gz OZIMPMLYEAERJP-CQSZACIVSA-N 2 2 325.441 3.308 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433605 167326962 /nfs/dbraw/zinc/32/69/62/167326962.db2.gz MEXFRRLGBCZCMO-GQIGUUNPSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433605 167326967 /nfs/dbraw/zinc/32/69/67/167326967.db2.gz MEXFRRLGBCZCMO-GQIGUUNPSA-N 2 2 325.456 3.261 10 0 EGAELP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000365138855 168027644 /nfs/dbraw/zinc/02/76/44/168027644.db2.gz PWWAXCGKHTUOAV-SFHVURJKSA-N 2 2 335.455 3.297 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000358913598 275063150 /nfs/dbraw/zinc/06/31/50/275063150.db2.gz IFJDPBLJDPXAGL-TYPHKJRUSA-N 2 2 336.483 3.466 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000358913598 275063151 /nfs/dbraw/zinc/06/31/51/275063151.db2.gz IFJDPBLJDPXAGL-TYPHKJRUSA-N 2 2 336.483 3.466 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000339362394 275374799 /nfs/dbraw/zinc/37/47/99/275374799.db2.gz QWGMMSDZPURKLB-KBPBESRZSA-N 2 2 346.272 3.108 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287477520 276123233 /nfs/dbraw/zinc/12/32/33/276123233.db2.gz SCKKQUOCBIOLEP-INIZCTEOSA-N 2 2 329.448 3.459 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287477520 276123234 /nfs/dbraw/zinc/12/32/34/276123234.db2.gz SCKKQUOCBIOLEP-INIZCTEOSA-N 2 2 329.448 3.459 10 0 EGAELP COc1cccc(N2CC[C@H](C[NH2+]CCCc3c[nH+]ccc3C)C2)c1 ZINC000289350710 276326194 /nfs/dbraw/zinc/32/61/94/276326194.db2.gz XHZBYNRKZQUWJQ-GOSISDBHSA-N 2 2 339.483 3.447 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301605 277069294 /nfs/dbraw/zinc/06/92/94/277069294.db2.gz ZRVPNHQSROQERQ-CRAIPNDOSA-N 2 2 328.435 3.132 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301605 277069295 /nfs/dbraw/zinc/06/92/95/277069295.db2.gz ZRVPNHQSROQERQ-CRAIPNDOSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301605 277069296 /nfs/dbraw/zinc/06/92/96/277069296.db2.gz ZRVPNHQSROQERQ-CRAIPNDOSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301605 277069297 /nfs/dbraw/zinc/06/92/97/277069297.db2.gz ZRVPNHQSROQERQ-CRAIPNDOSA-N 2 2 328.435 3.132 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973456 279267632 /nfs/dbraw/zinc/26/76/32/279267632.db2.gz PVCFWKGKODHJQH-KSZLIROESA-N 2 2 349.906 3.076 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973456 279267636 /nfs/dbraw/zinc/26/76/36/279267636.db2.gz PVCFWKGKODHJQH-KSZLIROESA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973456 279267638 /nfs/dbraw/zinc/26/76/38/279267638.db2.gz PVCFWKGKODHJQH-KSZLIROESA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973456 279267641 /nfs/dbraw/zinc/26/76/41/279267641.db2.gz PVCFWKGKODHJQH-KSZLIROESA-N 2 2 349.906 3.076 10 0 EGAELP [NH3+]CCN(c1ccc2ccccc2n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000414481169 309083178 /nfs/dbraw/zinc/08/31/78/309083178.db2.gz BUEBOIBRHAQOCZ-UHFFFAOYSA-N 2 2 347.466 3.064 10 0 EGAELP OC1CCC2(CC1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000294671115 308244404 /nfs/dbraw/zinc/24/44/04/308244404.db2.gz AOEAZTRWAVYPFU-UHFFFAOYSA-N 2 2 325.456 3.389 10 0 EGAELP FC(F)Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000294679224 308245209 /nfs/dbraw/zinc/24/52/09/308245209.db2.gz MVEXXWPPTGBBPW-OAHLLOKOSA-N 2 2 349.429 3.061 10 0 EGAELP FC(F)Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000294679224 308245210 /nfs/dbraw/zinc/24/52/10/308245210.db2.gz MVEXXWPPTGBBPW-OAHLLOKOSA-N 2 2 349.429 3.061 10 0 EGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000313264172 308764897 /nfs/dbraw/zinc/76/48/97/308764897.db2.gz NHRNUMULCLHKAG-JTQLQIEISA-N 2 2 326.213 3.215 10 0 EGAELP Clc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2c(c1)COCO2 ZINC000329815573 308788129 /nfs/dbraw/zinc/78/81/29/308788129.db2.gz DPBITIDEAHNFHY-UHFFFAOYSA-N 2 2 333.819 3.309 10 0 EGAELP CC[NH2+][C@H](C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414962176 309111740 /nfs/dbraw/zinc/11/17/40/309111740.db2.gz SDIAQHVPJUAAIJ-OAHLLOKOSA-N 2 2 327.476 3.148 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000415957285 309151213 /nfs/dbraw/zinc/15/12/13/309151213.db2.gz PBHDYAZCCXDXMO-CRAIPNDOSA-N 2 2 341.459 3.108 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)n1C ZINC000419702657 309271176 /nfs/dbraw/zinc/27/11/76/309271176.db2.gz BNRWHFNYLRQWCM-UHFFFAOYSA-N 2 2 336.842 3.257 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357620 309283779 /nfs/dbraw/zinc/28/37/79/309283779.db2.gz DRFZEWIROHSGET-OXJNMPFZSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357620 309283780 /nfs/dbraw/zinc/28/37/80/309283780.db2.gz DRFZEWIROHSGET-OXJNMPFZSA-N 2 2 329.488 3.213 10 0 EGAELP Cc1csc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420954523 309303903 /nfs/dbraw/zinc/30/39/03/309303903.db2.gz WDDWVDNEXNMFAN-OAHLLOKOSA-N 2 2 331.485 3.135 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccncc1Cl ZINC000421820630 309341532 /nfs/dbraw/zinc/34/15/32/309341532.db2.gz NCPVQPVFJJBREA-OAHLLOKOSA-N 2 2 345.874 3.418 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866641 309344258 /nfs/dbraw/zinc/34/42/58/309344258.db2.gz BHBFVYHHRDRXDM-ZHALLVOQSA-N 2 2 345.556 3.415 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866641 309344259 /nfs/dbraw/zinc/34/42/59/309344259.db2.gz BHBFVYHHRDRXDM-ZHALLVOQSA-N 2 2 345.556 3.415 10 0 EGAELP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000422699062 309363593 /nfs/dbraw/zinc/36/35/93/309363593.db2.gz CIHSOCSFPCSADJ-YESZJQIVSA-N 3 2 326.488 3.396 10 0 EGAELP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1c[nH+]ccc1N ZINC000422927933 309376640 /nfs/dbraw/zinc/37/66/40/309376640.db2.gz HWLNZTGJIYJWDZ-NSHDSACASA-N 2 2 333.819 3.160 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOC2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422947160 309377474 /nfs/dbraw/zinc/37/74/74/309377474.db2.gz PXVCFNPHLPTWFD-UXHICEINSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422964571 309378817 /nfs/dbraw/zinc/37/88/17/309378817.db2.gz IVGQWDAHKMQWMV-MJWYBRSISA-N 2 2 343.471 3.486 10 0 EGAELP Fc1ccc(C2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423029520 309381781 /nfs/dbraw/zinc/38/17/81/309381781.db2.gz IFFNZJBFSYSGIX-CVMOCDCISA-N 2 2 332.463 3.209 10 0 EGAELP Fc1ccc(C2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423029521 309381854 /nfs/dbraw/zinc/38/18/54/309381854.db2.gz IFFNZJBFSYSGIX-OSXBXZONSA-N 2 2 332.463 3.209 10 0 EGAELP Fc1ccc(C2=CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423036652 309382300 /nfs/dbraw/zinc/38/23/00/309382300.db2.gz AVFSNIQMOQSOFS-UFYCRDLUSA-N 2 2 330.447 3.118 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2scnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423155569 309388619 /nfs/dbraw/zinc/38/86/19/309388619.db2.gz QTPVMAOFVQNABB-SJLPKXTDSA-N 2 2 331.485 3.086 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@@H]2CCC[NH2+]2)cc1 ZINC000423169316 309388968 /nfs/dbraw/zinc/38/89/68/309388968.db2.gz JAHAMKASYJWUEO-RDGPPVDQSA-N 2 2 330.472 3.036 10 0 EGAELP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423248695 309392127 /nfs/dbraw/zinc/39/21/27/309392127.db2.gz SAMYABSLDQXVEA-IFXJQAMLSA-N 2 2 338.455 3.321 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423352637 309396657 /nfs/dbraw/zinc/39/66/57/309396657.db2.gz ACBBYINZBBXLGV-VKJFTORMSA-N 2 2 332.492 3.209 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440817807 309856927 /nfs/dbraw/zinc/85/69/27/309856927.db2.gz HSIFFSBTWGZBSB-JOCHJYFZSA-N 2 2 347.462 3.494 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449028119 310030717 /nfs/dbraw/zinc/03/07/17/310030717.db2.gz KFEVMEFRAHFJOM-KDOFPFPSSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449028119 310030718 /nfs/dbraw/zinc/03/07/18/310030718.db2.gz KFEVMEFRAHFJOM-KDOFPFPSSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028119 310030719 /nfs/dbraw/zinc/03/07/19/310030719.db2.gz KFEVMEFRAHFJOM-KDOFPFPSSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028119 310030720 /nfs/dbraw/zinc/03/07/20/310030720.db2.gz KFEVMEFRAHFJOM-KDOFPFPSSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393114 310058501 /nfs/dbraw/zinc/05/85/01/310058501.db2.gz AYPFIDZYNDLQHS-ZBFHGGJFSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393114 310058502 /nfs/dbraw/zinc/05/85/02/310058502.db2.gz AYPFIDZYNDLQHS-ZBFHGGJFSA-N 2 2 344.421 3.073 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397810 310058839 /nfs/dbraw/zinc/05/88/39/310058839.db2.gz RQONKOCQEIWOHQ-UHOSZYNNSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397810 310058840 /nfs/dbraw/zinc/05/88/40/310058840.db2.gz RQONKOCQEIWOHQ-UHOSZYNNSA-N 2 2 336.907 3.413 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419322 310060283 /nfs/dbraw/zinc/06/02/83/310060283.db2.gz HIFGSRGOFVNJAR-UXHICEINSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419322 310060284 /nfs/dbraw/zinc/06/02/84/310060284.db2.gz HIFGSRGOFVNJAR-UXHICEINSA-N 2 2 328.431 3.123 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459688 310063826 /nfs/dbraw/zinc/06/38/26/310063826.db2.gz YLABOALJMDOQSM-XUVXKRRUSA-N 2 2 325.456 3.388 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459688 310063827 /nfs/dbraw/zinc/06/38/27/310063827.db2.gz YLABOALJMDOQSM-XUVXKRRUSA-N 2 2 325.456 3.388 10 0 EGAELP C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H]1C ZINC000449967326 310096432 /nfs/dbraw/zinc/09/64/32/310096432.db2.gz UDRAXAORHHAGHY-CEXWTWQISA-N 2 2 349.563 3.125 10 0 EGAELP COC1([C@@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000453229187 310265504 /nfs/dbraw/zinc/26/55/04/310265504.db2.gz WKQCFRFODYZDJG-GOSISDBHSA-N 2 2 338.536 3.206 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000453232107 310265611 /nfs/dbraw/zinc/26/56/11/310265611.db2.gz JCGAFKIIEJYLAT-FHLIZLRMSA-N 3 2 344.890 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000453232107 310265612 /nfs/dbraw/zinc/26/56/12/310265612.db2.gz JCGAFKIIEJYLAT-FHLIZLRMSA-N 3 2 344.890 3.488 10 0 EGAELP CCOC(=O)[C@H](CCC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459477949 310555320 /nfs/dbraw/zinc/55/53/20/310555320.db2.gz INWCKDIGHMKVNO-SFHVURJKSA-N 2 2 347.503 3.398 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)Cc2ccccc2C1 ZINC000466342453 310650227 /nfs/dbraw/zinc/65/02/27/310650227.db2.gz DMUPKJKLWNVEGM-IOMROCGXSA-N 2 2 342.527 3.271 10 0 EGAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059147 311162685 /nfs/dbraw/zinc/16/26/85/311162685.db2.gz IDHSBZGJHYIKCH-AQNXPRMDSA-N 2 2 349.563 3.079 10 0 EGAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059147 311162686 /nfs/dbraw/zinc/16/26/86/311162686.db2.gz IDHSBZGJHYIKCH-AQNXPRMDSA-N 2 2 349.563 3.079 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514086748 312224376 /nfs/dbraw/zinc/22/43/76/312224376.db2.gz CMYOXOUOSLHOBO-FSSWDIPSSA-N 3 2 341.543 3.156 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514086748 312224379 /nfs/dbraw/zinc/22/43/79/312224379.db2.gz CMYOXOUOSLHOBO-FSSWDIPSSA-N 3 2 341.543 3.156 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359521 /nfs/dbraw/zinc/35/95/21/312359521.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359524 /nfs/dbraw/zinc/35/95/24/312359524.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359525 /nfs/dbraw/zinc/35/95/25/312359525.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359528 /nfs/dbraw/zinc/35/95/28/312359528.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000536607275 314129074 /nfs/dbraw/zinc/12/90/74/314129074.db2.gz CDZHSXGEGBLIDR-KBXCAEBGSA-N 2 2 344.434 3.242 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000536607275 314129075 /nfs/dbraw/zinc/12/90/75/314129075.db2.gz CDZHSXGEGBLIDR-KBXCAEBGSA-N 2 2 344.434 3.242 10 0 EGAELP CN(C)c1ccc2cc(NC(=O)CCN(C)c3cc[nH+]cc3)ccc2[nH+]1 ZINC000542787216 314578489 /nfs/dbraw/zinc/57/84/89/314578489.db2.gz LSZABHOZWYGIFN-UHFFFAOYSA-N 2 2 349.438 3.161 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640801 323245069 /nfs/dbraw/zinc/24/50/69/323245069.db2.gz RUUIWTQPHUNSSN-INIZCTEOSA-N 2 2 348.450 3.488 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640801 323245073 /nfs/dbraw/zinc/24/50/73/323245073.db2.gz RUUIWTQPHUNSSN-INIZCTEOSA-N 2 2 348.450 3.488 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000389813088 324279760 /nfs/dbraw/zinc/27/97/60/324279760.db2.gz HENMFSUMLZHSET-UZLBHIALSA-N 2 2 338.451 3.083 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000389813088 324279762 /nfs/dbraw/zinc/27/97/62/324279762.db2.gz HENMFSUMLZHSET-UZLBHIALSA-N 2 2 338.451 3.083 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000583554498 325533503 /nfs/dbraw/zinc/53/35/03/325533503.db2.gz GBYNDPIUFLGKOE-MRXNPFEDSA-N 2 2 347.507 3.191 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664552 455221963 /nfs/dbraw/zinc/22/19/63/455221963.db2.gz CMRGVQXSQMXKOM-SJORKVTESA-N 2 2 340.471 3.314 10 0 EGAELP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCOC1 ZINC000479480859 459143030 /nfs/dbraw/zinc/14/30/30/459143030.db2.gz TZXVDPCTLOETBU-KKOFPSKJSA-N 2 2 334.426 3.196 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871494 459182499 /nfs/dbraw/zinc/18/24/99/459182499.db2.gz GPBFCVFBDGQJRB-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000484925716 459436443 /nfs/dbraw/zinc/43/64/43/459436443.db2.gz OQRQNOCGTAZTKT-OALUTQOASA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000484925716 459436449 /nfs/dbraw/zinc/43/64/49/459436449.db2.gz OQRQNOCGTAZTKT-OALUTQOASA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484925716 459436455 /nfs/dbraw/zinc/43/64/55/459436455.db2.gz OQRQNOCGTAZTKT-OALUTQOASA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484925716 459436459 /nfs/dbraw/zinc/43/64/59/459436459.db2.gz OQRQNOCGTAZTKT-OALUTQOASA-N 2 2 339.568 3.322 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440426 460552019 /nfs/dbraw/zinc/55/20/19/460552019.db2.gz VOIHYSBMAQDRJQ-MISYRCLQSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440426 460552021 /nfs/dbraw/zinc/55/20/21/460552021.db2.gz VOIHYSBMAQDRJQ-MISYRCLQSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440426 460552022 /nfs/dbraw/zinc/55/20/22/460552022.db2.gz VOIHYSBMAQDRJQ-MISYRCLQSA-N 3 2 329.532 3.359 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC1(C)C ZINC000623442571 460553437 /nfs/dbraw/zinc/55/34/37/460553437.db2.gz ULYHADAMRIWDFK-IBGZPJMESA-N 2 2 340.515 3.478 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC1(C)C ZINC000623442571 460553445 /nfs/dbraw/zinc/55/34/45/460553445.db2.gz ULYHADAMRIWDFK-IBGZPJMESA-N 2 2 340.515 3.478 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000190476998 455326920 /nfs/dbraw/zinc/32/69/20/455326920.db2.gz NBXFBSQMYXGTCK-KRWDZBQOSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000190476998 455326925 /nfs/dbraw/zinc/32/69/25/455326925.db2.gz NBXFBSQMYXGTCK-KRWDZBQOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000190476998 455326931 /nfs/dbraw/zinc/32/69/31/455326931.db2.gz NBXFBSQMYXGTCK-KRWDZBQOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000190476998 455326935 /nfs/dbraw/zinc/32/69/35/455326935.db2.gz NBXFBSQMYXGTCK-KRWDZBQOSA-N 2 2 331.410 3.314 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511289 460588671 /nfs/dbraw/zinc/58/86/71/460588671.db2.gz IWFHHBOGFQRTDW-DGCLKSJQSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511289 460588678 /nfs/dbraw/zinc/58/86/78/460588678.db2.gz IWFHHBOGFQRTDW-DGCLKSJQSA-N 2 2 326.282 3.368 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631890240 460589457 /nfs/dbraw/zinc/58/94/57/460589457.db2.gz QFQGRVMMAYNKSZ-PBHICJAKSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631890240 460589464 /nfs/dbraw/zinc/58/94/64/460589464.db2.gz QFQGRVMMAYNKSZ-PBHICJAKSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000631890936 460591205 /nfs/dbraw/zinc/59/12/05/460591205.db2.gz WNSPPZYPOKDANR-CRAIPNDOSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000631890936 460591210 /nfs/dbraw/zinc/59/12/10/460591210.db2.gz WNSPPZYPOKDANR-CRAIPNDOSA-N 2 2 343.496 3.393 10 0 EGAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039028826 453942946 /nfs/dbraw/zinc/94/29/46/453942946.db2.gz BGDMGLDMRWAJBY-IBGZPJMESA-N 2 2 346.421 3.494 10 0 EGAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039028826 453942950 /nfs/dbraw/zinc/94/29/50/453942950.db2.gz BGDMGLDMRWAJBY-IBGZPJMESA-N 2 2 346.421 3.494 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969752 454346022 /nfs/dbraw/zinc/34/60/22/454346022.db2.gz ZARNYNFZPXAAET-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969752 454346026 /nfs/dbraw/zinc/34/60/26/454346026.db2.gz ZARNYNFZPXAAET-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969752 454346028 /nfs/dbraw/zinc/34/60/28/454346028.db2.gz ZARNYNFZPXAAET-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969752 454346032 /nfs/dbraw/zinc/34/60/32/454346032.db2.gz ZARNYNFZPXAAET-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000097022798 454389555 /nfs/dbraw/zinc/38/95/55/454389555.db2.gz GSPVQKGGWVOZNC-DNVCBOLYSA-N 2 2 343.446 3.291 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461887 454418717 /nfs/dbraw/zinc/41/87/17/454418717.db2.gz OBGLYQDHVFGZLS-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461887 454418719 /nfs/dbraw/zinc/41/87/19/454418719.db2.gz OBGLYQDHVFGZLS-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461887 454418722 /nfs/dbraw/zinc/41/87/22/454418722.db2.gz OBGLYQDHVFGZLS-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461887 454418725 /nfs/dbraw/zinc/41/87/25/454418725.db2.gz OBGLYQDHVFGZLS-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618781 460643809 /nfs/dbraw/zinc/64/38/09/460643809.db2.gz DOZFNCIAWKCUPW-UFYCRDLUSA-N 2 2 343.515 3.032 10 0 EGAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618781 460643818 /nfs/dbraw/zinc/64/38/18/460643818.db2.gz DOZFNCIAWKCUPW-UFYCRDLUSA-N 2 2 343.515 3.032 10 0 EGAELP Cc1nc2[nH]ccc2c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000080949464 454655601 /nfs/dbraw/zinc/65/56/01/454655601.db2.gz CRJMWLRTGTYMEG-UHFFFAOYSA-N 2 2 339.418 3.482 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000105896569 454666621 /nfs/dbraw/zinc/66/66/21/454666621.db2.gz JKVISLGMYSGPMX-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000105896569 454666623 /nfs/dbraw/zinc/66/66/23/454666623.db2.gz JKVISLGMYSGPMX-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095080 454685801 /nfs/dbraw/zinc/68/58/01/454685801.db2.gz WQOOBZASDMYVRL-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095080 454685804 /nfs/dbraw/zinc/68/58/04/454685804.db2.gz WQOOBZASDMYVRL-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095080 454685808 /nfs/dbraw/zinc/68/58/08/454685808.db2.gz WQOOBZASDMYVRL-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095080 454685812 /nfs/dbraw/zinc/68/58/12/454685812.db2.gz WQOOBZASDMYVRL-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000106212626 454686628 /nfs/dbraw/zinc/68/66/28/454686628.db2.gz SQTMPPSPKXLJJN-GOSISDBHSA-N 2 2 346.519 3.121 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000106212626 454686631 /nfs/dbraw/zinc/68/66/31/454686631.db2.gz SQTMPPSPKXLJJN-GOSISDBHSA-N 2 2 346.519 3.121 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000153237592 454773637 /nfs/dbraw/zinc/77/36/37/454773637.db2.gz ZOTSPMADYGCSOW-KGLIPLIRSA-N 2 2 330.394 3.324 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153263161 454776079 /nfs/dbraw/zinc/77/60/79/454776079.db2.gz NWFLQCYRHJNZNL-ZIAGYGMSSA-N 2 2 330.394 3.324 10 0 EGAELP COc1cccc([C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000163355315 454842052 /nfs/dbraw/zinc/84/20/52/454842052.db2.gz IBXMRFKXISAPTE-LJQANCHMSA-N 2 2 329.444 3.054 10 0 EGAELP COc1cccc([C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000163355315 454842058 /nfs/dbraw/zinc/84/20/58/454842058.db2.gz IBXMRFKXISAPTE-LJQANCHMSA-N 2 2 329.444 3.054 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000163424974 454846821 /nfs/dbraw/zinc/84/68/21/454846821.db2.gz QMXPQPQMDDGDHJ-UKRRQHHQSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000163424974 454846822 /nfs/dbraw/zinc/84/68/22/454846822.db2.gz QMXPQPQMDDGDHJ-UKRRQHHQSA-N 2 2 328.403 3.049 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892037 /nfs/dbraw/zinc/89/20/37/454892037.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 3 2 335.561 3.451 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892039 /nfs/dbraw/zinc/89/20/39/454892039.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892041 /nfs/dbraw/zinc/89/20/41/454892041.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892043 /nfs/dbraw/zinc/89/20/43/454892043.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 3 2 335.561 3.451 10 0 EGAELP CCCCCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154457074 454898605 /nfs/dbraw/zinc/89/86/05/454898605.db2.gz QIOFQHPBDOJBBT-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154457074 454898608 /nfs/dbraw/zinc/89/86/08/454898608.db2.gz QIOFQHPBDOJBBT-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000126673362 454910635 /nfs/dbraw/zinc/91/06/35/454910635.db2.gz JTJQZNPNTMDHFV-KRWDZBQOSA-N 2 2 327.407 3.131 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000151343655 454971911 /nfs/dbraw/zinc/97/19/11/454971911.db2.gz HAQREFXFTAHPNQ-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178837804 454982532 /nfs/dbraw/zinc/98/25/32/454982532.db2.gz XQOLQDONBQMCBA-INIZCTEOSA-N 2 2 327.428 3.036 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178837804 454982538 /nfs/dbraw/zinc/98/25/38/454982538.db2.gz XQOLQDONBQMCBA-INIZCTEOSA-N 2 2 327.428 3.036 10 0 EGAELP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151482503 454990970 /nfs/dbraw/zinc/99/09/70/454990970.db2.gz MUKIUETXSBRNIF-AWEZNQCLSA-N 2 2 338.411 3.135 10 0 EGAELP c1cnc(Oc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)cn1 ZINC000127767693 454995577 /nfs/dbraw/zinc/99/55/77/454995577.db2.gz NCQBMRDOPYQWST-UHFFFAOYSA-N 2 2 338.455 3.329 10 0 EGAELP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000179345115 455036017 /nfs/dbraw/zinc/03/60/17/455036017.db2.gz UKRYBHGHOMMYFG-HNNXBMFYSA-N 2 2 328.456 3.426 10 0 EGAELP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000179345115 455036020 /nfs/dbraw/zinc/03/60/20/455036020.db2.gz UKRYBHGHOMMYFG-HNNXBMFYSA-N 2 2 328.456 3.426 10 0 EGAELP COC[C@H](Cc1ccccc1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128878580 455088766 /nfs/dbraw/zinc/08/87/66/455088766.db2.gz AQKBWNLCHBDXIC-RTWAWAEBSA-N 2 2 326.484 3.007 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532710 455310750 /nfs/dbraw/zinc/31/07/50/455310750.db2.gz WYBFTGRDKOOBFM-WBVHZDCISA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532710 455310754 /nfs/dbraw/zinc/31/07/54/455310754.db2.gz WYBFTGRDKOOBFM-WBVHZDCISA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532710 455310759 /nfs/dbraw/zinc/31/07/59/455310759.db2.gz WYBFTGRDKOOBFM-WBVHZDCISA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532710 455310762 /nfs/dbraw/zinc/31/07/62/455310762.db2.gz WYBFTGRDKOOBFM-WBVHZDCISA-N 2 2 329.419 3.397 10 0 EGAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@@H](C)C1 ZINC000181283156 455312057 /nfs/dbraw/zinc/31/20/57/455312057.db2.gz DJWIHJDPBOUCFO-KUXCEQAESA-N 2 2 341.499 3.137 10 0 EGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@@H](C)C1 ZINC000181283156 455312061 /nfs/dbraw/zinc/31/20/61/455312061.db2.gz DJWIHJDPBOUCFO-KUXCEQAESA-N 2 2 341.499 3.137 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190467720 455326057 /nfs/dbraw/zinc/32/60/57/455326057.db2.gz PJRLUFKGELRJFA-SFHVURJKSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190467720 455326061 /nfs/dbraw/zinc/32/60/61/455326061.db2.gz PJRLUFKGELRJFA-SFHVURJKSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190467720 455326063 /nfs/dbraw/zinc/32/60/63/455326063.db2.gz PJRLUFKGELRJFA-SFHVURJKSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000190467720 455326067 /nfs/dbraw/zinc/32/60/67/455326067.db2.gz PJRLUFKGELRJFA-SFHVURJKSA-N 2 2 329.513 3.448 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245566516 455331639 /nfs/dbraw/zinc/33/16/39/455331639.db2.gz FARRFVVQLLDDMZ-XJKSGUPXSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245566516 455331642 /nfs/dbraw/zinc/33/16/42/455331642.db2.gz FARRFVVQLLDDMZ-XJKSGUPXSA-N 2 2 332.835 3.058 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265526957 455338884 /nfs/dbraw/zinc/33/88/84/455338884.db2.gz UKVIHFQTOOWRSX-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000246173964 455441473 /nfs/dbraw/zinc/44/14/73/455441473.db2.gz VNCSVFYYUBWTNR-YLJYHZDGSA-N 2 2 337.471 3.228 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246441146 455490615 /nfs/dbraw/zinc/49/06/15/455490615.db2.gz DEBISDSHEVSZJN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246441146 455490621 /nfs/dbraw/zinc/49/06/21/455490621.db2.gz DEBISDSHEVSZJN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246441146 455490632 /nfs/dbraw/zinc/49/06/32/455490632.db2.gz DEBISDSHEVSZJN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246815935 455527483 /nfs/dbraw/zinc/52/74/83/455527483.db2.gz ADIDFOSDLSCFLK-YLXRRXKZSA-N 2 2 346.519 3.095 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246815935 455527484 /nfs/dbraw/zinc/52/74/84/455527484.db2.gz ADIDFOSDLSCFLK-YLXRRXKZSA-N 2 2 346.519 3.095 10 0 EGAELP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000247128471 455563539 /nfs/dbraw/zinc/56/35/39/455563539.db2.gz SEGWPUHBAGBDBK-BBRMVZONSA-N 2 2 334.489 3.410 10 0 EGAELP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000247128471 455563541 /nfs/dbraw/zinc/56/35/41/455563541.db2.gz SEGWPUHBAGBDBK-BBRMVZONSA-N 2 2 334.489 3.410 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245448 455607350 /nfs/dbraw/zinc/60/73/50/455607350.db2.gz XFFMZIATKDLWRR-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245448 455607354 /nfs/dbraw/zinc/60/73/54/455607354.db2.gz XFFMZIATKDLWRR-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245448 455607359 /nfs/dbraw/zinc/60/73/59/455607359.db2.gz XFFMZIATKDLWRR-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)ccc1F ZINC000292245448 455607361 /nfs/dbraw/zinc/60/73/61/455607361.db2.gz XFFMZIATKDLWRR-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247648277 455633489 /nfs/dbraw/zinc/63/34/89/455633489.db2.gz PAUUIIMZXSILJT-WMZOPIPTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247648277 455633494 /nfs/dbraw/zinc/63/34/94/455633494.db2.gz PAUUIIMZXSILJT-WMZOPIPTSA-N 2 2 326.444 3.022 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953531 455659383 /nfs/dbraw/zinc/65/93/83/455659383.db2.gz FHXUGFFDCWSECP-GDBMZVCRSA-N 2 2 346.862 3.306 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953531 455659386 /nfs/dbraw/zinc/65/93/86/455659386.db2.gz FHXUGFFDCWSECP-GDBMZVCRSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953531 455659390 /nfs/dbraw/zinc/65/93/90/455659390.db2.gz FHXUGFFDCWSECP-GDBMZVCRSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953531 455659394 /nfs/dbraw/zinc/65/93/94/455659394.db2.gz FHXUGFFDCWSECP-GDBMZVCRSA-N 2 2 346.862 3.306 10 0 EGAELP CCC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccnc1 ZINC000185992082 455669583 /nfs/dbraw/zinc/66/95/83/455669583.db2.gz BRUUOSLUQFEGRN-IAGOWNOFSA-N 2 2 340.475 3.013 10 0 EGAELP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540296 460693216 /nfs/dbraw/zinc/69/32/16/460693216.db2.gz GGFPECGJFJTTQV-UGKGYDQZSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540296 460693224 /nfs/dbraw/zinc/69/32/24/460693224.db2.gz GGFPECGJFJTTQV-UGKGYDQZSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000606540296 460693231 /nfs/dbraw/zinc/69/32/31/460693231.db2.gz GGFPECGJFJTTQV-UGKGYDQZSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000606540296 460693237 /nfs/dbraw/zinc/69/32/37/460693237.db2.gz GGFPECGJFJTTQV-UGKGYDQZSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCS2 ZINC000187050343 455866618 /nfs/dbraw/zinc/86/66/18/455866618.db2.gz KJIHADOUEXXXRJ-SJLPKXTDSA-N 2 2 334.529 3.277 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606580927 460699927 /nfs/dbraw/zinc/69/99/27/460699927.db2.gz KCANTIXYINHQPF-KRWDZBQOSA-N 2 2 349.438 3.120 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606580927 460699933 /nfs/dbraw/zinc/69/99/33/460699933.db2.gz KCANTIXYINHQPF-KRWDZBQOSA-N 2 2 349.438 3.120 10 0 EGAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000261659355 455922363 /nfs/dbraw/zinc/92/23/63/455922363.db2.gz FCXZHBWVKZVCTB-NVXWUHKLSA-N 2 2 338.455 3.200 10 0 EGAELP Cc1ccccc1-c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000261861229 455960479 /nfs/dbraw/zinc/96/04/79/455960479.db2.gz WKDYOBHNDLIXRC-MJGOQNOKSA-N 2 2 348.450 3.219 10 0 EGAELP Cc1ccccc1-c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000261861229 455960489 /nfs/dbraw/zinc/96/04/89/455960489.db2.gz WKDYOBHNDLIXRC-MJGOQNOKSA-N 2 2 348.450 3.219 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000195515735 455974073 /nfs/dbraw/zinc/97/40/73/455974073.db2.gz GHVAZSPUGPSYNT-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000195515735 455974080 /nfs/dbraw/zinc/97/40/80/455974080.db2.gz GHVAZSPUGPSYNT-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)[nH+]1 ZINC000195516283 455977480 /nfs/dbraw/zinc/97/74/80/455977480.db2.gz JAOABXYSWWBEPU-CQSZACIVSA-N 2 2 329.448 3.005 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)[nH+]1 ZINC000195516283 455977485 /nfs/dbraw/zinc/97/74/85/455977485.db2.gz JAOABXYSWWBEPU-CQSZACIVSA-N 2 2 329.448 3.005 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262316016 456025159 /nfs/dbraw/zinc/02/51/59/456025159.db2.gz UJUZWOLWQPTDRQ-KYJSFNMBSA-N 2 2 349.906 3.063 10 0 EGAELP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296460 456282051 /nfs/dbraw/zinc/28/20/51/456282051.db2.gz AUSPFAKEBDLIMI-IAQYHMDHSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296460 456282058 /nfs/dbraw/zinc/28/20/58/456282058.db2.gz AUSPFAKEBDLIMI-IAQYHMDHSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296460 456282062 /nfs/dbraw/zinc/28/20/62/456282062.db2.gz AUSPFAKEBDLIMI-IAQYHMDHSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296460 456282067 /nfs/dbraw/zinc/28/20/67/456282067.db2.gz AUSPFAKEBDLIMI-IAQYHMDHSA-N 2 2 329.257 3.360 10 0 EGAELP CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091068 456284980 /nfs/dbraw/zinc/28/49/80/456284980.db2.gz MCLKSNQAEMFVQR-SJLPKXTDSA-N 2 2 332.398 3.483 10 0 EGAELP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091068 456284987 /nfs/dbraw/zinc/28/49/87/456284987.db2.gz MCLKSNQAEMFVQR-SJLPKXTDSA-N 2 2 332.398 3.483 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)c2ccncc2)s1 ZINC000352784015 456303229 /nfs/dbraw/zinc/30/32/29/456303229.db2.gz ZYUPQQSKLZRMCB-LJQANCHMSA-N 2 2 338.480 3.479 10 0 EGAELP Oc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000290565465 456366459 /nfs/dbraw/zinc/36/64/59/456366459.db2.gz YABFEDVSZCMMGV-ZDUSSCGKSA-N 2 2 328.378 3.329 10 0 EGAELP Oc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000290565465 456366465 /nfs/dbraw/zinc/36/64/65/456366465.db2.gz YABFEDVSZCMMGV-ZDUSSCGKSA-N 2 2 328.378 3.329 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000353117301 456500658 /nfs/dbraw/zinc/50/06/58/456500658.db2.gz ILMFMRUYMKUSGR-LBPRGKRZSA-N 2 2 329.354 3.100 10 0 EGAELP Clc1ccc2[nH+]cc(CN3CCCC[C@H]([NH+]4CCCC4)C3)n2c1 ZINC000353139675 456516475 /nfs/dbraw/zinc/51/64/75/456516475.db2.gz NXMHAXANRQMWLJ-INIZCTEOSA-N 2 2 332.879 3.438 10 0 EGAELP COc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310004932 456578981 /nfs/dbraw/zinc/57/89/81/456578981.db2.gz HEDOBXHBCYZUOV-INIZCTEOSA-N 2 2 331.485 3.154 10 0 EGAELP COc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000310004932 456578984 /nfs/dbraw/zinc/57/89/84/456578984.db2.gz HEDOBXHBCYZUOV-INIZCTEOSA-N 2 2 331.485 3.154 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000353291140 456615338 /nfs/dbraw/zinc/61/53/38/456615338.db2.gz MSQQURJWNVMSFQ-QXAKKESOSA-N 2 2 338.536 3.061 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350845 456636982 /nfs/dbraw/zinc/63/69/82/456636982.db2.gz XXEQRZGJHKSELT-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350845 456636988 /nfs/dbraw/zinc/63/69/88/456636988.db2.gz XXEQRZGJHKSELT-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236328 456662977 /nfs/dbraw/zinc/66/29/77/456662977.db2.gz WUJBXTIHQSNBDQ-CRAIPNDOSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236328 456662985 /nfs/dbraw/zinc/66/29/85/456662985.db2.gz WUJBXTIHQSNBDQ-CRAIPNDOSA-N 2 2 329.419 3.445 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000353425103 456691639 /nfs/dbraw/zinc/69/16/39/456691639.db2.gz IOAYQKQXLXRWLN-VQTJNVASSA-N 2 2 341.503 3.120 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343624270 456751871 /nfs/dbraw/zinc/75/18/71/456751871.db2.gz JRMGWVFGKADESC-OAQYLSRUSA-N 2 2 347.466 3.369 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343624270 456751873 /nfs/dbraw/zinc/75/18/73/456751873.db2.gz JRMGWVFGKADESC-OAQYLSRUSA-N 2 2 347.466 3.369 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H](C)CCSc3ccccc3)CC2)cc[nH+]1 ZINC000353570503 456769859 /nfs/dbraw/zinc/76/98/59/456769859.db2.gz MZORBJOIXIQIKE-MRXNPFEDSA-N 2 2 342.512 3.478 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042345 456838251 /nfs/dbraw/zinc/83/82/51/456838251.db2.gz APNNWPPISKIBFU-JOCHJYFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042345 456838255 /nfs/dbraw/zinc/83/82/55/456838255.db2.gz APNNWPPISKIBFU-JOCHJYFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042345 456838259 /nfs/dbraw/zinc/83/82/59/456838259.db2.gz APNNWPPISKIBFU-JOCHJYFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042345 456838265 /nfs/dbraw/zinc/83/82/65/456838265.db2.gz APNNWPPISKIBFU-JOCHJYFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@H+](Cc2ccccc2)C1 ZINC000338957324 456877194 /nfs/dbraw/zinc/87/71/94/456877194.db2.gz YYCGRIJLPRVIRY-IMFGXOCKSA-N 2 2 338.499 3.298 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@@H+](Cc2ccccc2)C1 ZINC000338957324 456877199 /nfs/dbraw/zinc/87/71/99/456877199.db2.gz YYCGRIJLPRVIRY-IMFGXOCKSA-N 2 2 338.499 3.298 10 0 EGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000353806200 456914850 /nfs/dbraw/zinc/91/48/50/456914850.db2.gz GNGDCFAHTUKVDM-UHFFFAOYSA-N 2 2 341.802 3.239 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C[C@H](C)O1 ZINC000339071035 456926734 /nfs/dbraw/zinc/92/67/34/456926734.db2.gz OYCGPUDPHBIWHK-RCLSDMTESA-N 2 2 346.515 3.243 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C[C@H](C)O1 ZINC000339071035 456926737 /nfs/dbraw/zinc/92/67/37/456926737.db2.gz OYCGPUDPHBIWHK-RCLSDMTESA-N 2 2 346.515 3.243 10 0 EGAELP FC(F)(F)CN1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000345162864 456949560 /nfs/dbraw/zinc/94/95/60/456949560.db2.gz KDWXICCPXCNWCC-UHFFFAOYSA-N 2 2 344.406 3.050 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c4ccccc34)c[nH+]2)C[C@@H](C)O1 ZINC000346746961 457147705 /nfs/dbraw/zinc/14/77/05/457147705.db2.gz BKUGSKFNGRTIQO-HZPDHXFCSA-N 2 2 348.450 3.277 10 0 EGAELP C[C@H]1[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000342299720 457222963 /nfs/dbraw/zinc/22/29/63/457222963.db2.gz BXJWXNLGOXZDDU-LAUBAEHRSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@H]1[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000342299720 457222968 /nfs/dbraw/zinc/22/29/68/457222968.db2.gz BXJWXNLGOXZDDU-LAUBAEHRSA-N 2 2 347.466 3.020 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000386140891 457429735 /nfs/dbraw/zinc/42/97/35/457429735.db2.gz NNUXFDNVSOCXHA-IBGZPJMESA-N 2 2 341.503 3.251 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000386140891 457429741 /nfs/dbraw/zinc/42/97/41/457429741.db2.gz NNUXFDNVSOCXHA-IBGZPJMESA-N 2 2 341.503 3.251 10 0 EGAELP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C(F)F)n1 ZINC000360966399 457473061 /nfs/dbraw/zinc/47/30/61/457473061.db2.gz NQZWUGSZOQJHBT-UHFFFAOYSA-N 2 2 326.435 3.244 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008447 457494043 /nfs/dbraw/zinc/49/40/43/457494043.db2.gz BVPNCEQZZAPRFS-FXAWDEMLSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008447 457494048 /nfs/dbraw/zinc/49/40/48/457494048.db2.gz BVPNCEQZZAPRFS-FXAWDEMLSA-N 2 2 326.488 3.464 10 0 EGAELP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000425386924 457530051 /nfs/dbraw/zinc/53/00/51/457530051.db2.gz UJXLWRXRJQGDDE-ZDUSSCGKSA-N 2 2 330.398 3.041 10 0 EGAELP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000425386924 457530056 /nfs/dbraw/zinc/53/00/56/457530056.db2.gz UJXLWRXRJQGDDE-ZDUSSCGKSA-N 2 2 330.398 3.041 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306402 457615299 /nfs/dbraw/zinc/61/52/99/457615299.db2.gz AKSJNEIZXWGOSC-CVEARBPZSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306402 457615302 /nfs/dbraw/zinc/61/53/02/457615302.db2.gz AKSJNEIZXWGOSC-CVEARBPZSA-N 2 2 346.519 3.092 10 0 EGAELP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C(F)F)n1 ZINC000361179068 457631586 /nfs/dbraw/zinc/63/15/86/457631586.db2.gz OKMRWOHVUCQTDK-OAHLLOKOSA-N 2 2 340.462 3.446 10 0 EGAELP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C(F)F)n1 ZINC000361179068 457631588 /nfs/dbraw/zinc/63/15/88/457631588.db2.gz OKMRWOHVUCQTDK-OAHLLOKOSA-N 2 2 340.462 3.446 10 0 EGAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361307243 457687452 /nfs/dbraw/zinc/68/74/52/457687452.db2.gz DRFBBURYDYKZPI-INIZCTEOSA-N 2 2 345.409 3.033 10 0 EGAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361307243 457687455 /nfs/dbraw/zinc/68/74/55/457687455.db2.gz DRFBBURYDYKZPI-INIZCTEOSA-N 2 2 345.409 3.033 10 0 EGAELP COCCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000374895722 457729474 /nfs/dbraw/zinc/72/94/74/457729474.db2.gz MIGHSDGDHZQSKN-IBGZPJMESA-N 2 2 348.535 3.008 10 0 EGAELP COCCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000374895722 457729477 /nfs/dbraw/zinc/72/94/77/457729477.db2.gz MIGHSDGDHZQSKN-IBGZPJMESA-N 2 2 348.535 3.008 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1NC(C)=O ZINC000375268742 457858297 /nfs/dbraw/zinc/85/82/97/457858297.db2.gz OHOHVEYVSHAKSB-ZDUSSCGKSA-N 2 2 342.443 3.037 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000368103175 458010663 /nfs/dbraw/zinc/01/06/63/458010663.db2.gz SUYRBIBLNKEOLK-SJKOYZFVSA-N 2 2 341.846 3.033 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000445795264 458087745 /nfs/dbraw/zinc/08/77/45/458087745.db2.gz OHXVECVITAXGRK-UHFFFAOYSA-N 2 2 343.496 3.029 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000445795264 458087749 /nfs/dbraw/zinc/08/77/49/458087749.db2.gz OHXVECVITAXGRK-UHFFFAOYSA-N 2 2 343.496 3.029 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ncn1 ZINC000428219281 458099859 /nfs/dbraw/zinc/09/98/59/458099859.db2.gz ONOKTYUGYJUKLT-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ncn1 ZINC000428219281 458099867 /nfs/dbraw/zinc/09/98/67/458099867.db2.gz ONOKTYUGYJUKLT-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ncn1 ZINC000428219281 458099874 /nfs/dbraw/zinc/09/98/74/458099874.db2.gz ONOKTYUGYJUKLT-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncn1 ZINC000428219281 458099879 /nfs/dbraw/zinc/09/98/79/458099879.db2.gz ONOKTYUGYJUKLT-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Fc1ccc(Cn2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000376028537 458168536 /nfs/dbraw/zinc/16/85/36/458168536.db2.gz KGZGNQKUIHFUOQ-UHFFFAOYSA-N 2 2 342.462 3.177 10 0 EGAELP COc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1OC(F)F ZINC000369536727 458254770 /nfs/dbraw/zinc/25/47/70/458254770.db2.gz KFTCWZXEQYEDSK-UHFFFAOYSA-N 2 2 340.414 3.403 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539473 458307621 /nfs/dbraw/zinc/30/76/21/458307621.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000447539473 458307624 /nfs/dbraw/zinc/30/76/24/458307624.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539473 458307627 /nfs/dbraw/zinc/30/76/27/458307627.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539473 458307628 /nfs/dbraw/zinc/30/76/28/458307628.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 3 2 327.516 3.254 10 0 EGAELP CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376789984 458390112 /nfs/dbraw/zinc/39/01/12/458390112.db2.gz QOMKDBKQIYALKR-UHFFFAOYSA-N 2 2 342.443 3.017 10 0 EGAELP C[C@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000459757073 458469231 /nfs/dbraw/zinc/46/92/31/458469231.db2.gz GSVVPOTXHIQBJZ-CYBMUJFWSA-N 2 2 335.473 3.343 10 0 EGAELP C[C@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000459757073 458469236 /nfs/dbraw/zinc/46/92/36/458469236.db2.gz GSVVPOTXHIQBJZ-CYBMUJFWSA-N 2 2 335.473 3.343 10 0 EGAELP Clc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1Br ZINC000377773151 458521392 /nfs/dbraw/zinc/52/13/92/458521392.db2.gz GADURYPAMLRLPX-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1Br ZINC000377773151 458521397 /nfs/dbraw/zinc/52/13/97/458521397.db2.gz GADURYPAMLRLPX-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP CCC[C@](C)(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373536564 458523937 /nfs/dbraw/zinc/52/39/37/458523937.db2.gz OJXURLBJGRTVMO-IBGZPJMESA-N 2 2 337.552 3.269 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377789695 458528102 /nfs/dbraw/zinc/52/81/02/458528102.db2.gz YSVLLHGNDMKJAJ-JTQLQIEISA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377789695 458528110 /nfs/dbraw/zinc/52/81/10/458528110.db2.gz YSVLLHGNDMKJAJ-JTQLQIEISA-N 2 2 327.762 3.312 10 0 EGAELP C[C@]1(C[NH2+]Cc2cccc3nccn32)CCC[N@@H+]1Cc1ccccc1 ZINC000494481286 458685999 /nfs/dbraw/zinc/68/59/99/458685999.db2.gz FKJKWWPDOIKWNE-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@]1(C[NH2+]Cc2cccc3nccn32)CCC[N@H+]1Cc1ccccc1 ZINC000494481286 458686003 /nfs/dbraw/zinc/68/60/03/458686003.db2.gz FKJKWWPDOIKWNE-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000432341159 458719393 /nfs/dbraw/zinc/71/93/93/458719393.db2.gz UHOCLHPNFKGVLO-INIZCTEOSA-N 2 2 331.508 3.022 10 0 EGAELP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000432341159 458719402 /nfs/dbraw/zinc/71/94/02/458719402.db2.gz UHOCLHPNFKGVLO-INIZCTEOSA-N 2 2 331.508 3.022 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271366 458874084 /nfs/dbraw/zinc/87/40/84/458874084.db2.gz XQODDAASYAXXPZ-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271366 458874092 /nfs/dbraw/zinc/87/40/92/458874092.db2.gz XQODDAASYAXXPZ-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271366 458874098 /nfs/dbraw/zinc/87/40/98/458874098.db2.gz XQODDAASYAXXPZ-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271366 458874103 /nfs/dbraw/zinc/87/41/03/458874103.db2.gz XQODDAASYAXXPZ-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CN(c1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417069 458940059 /nfs/dbraw/zinc/94/00/59/458940059.db2.gz QWLXJTQRUNRNFC-KDOFPFPSSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417069 458940068 /nfs/dbraw/zinc/94/00/68/458940068.db2.gz QWLXJTQRUNRNFC-KDOFPFPSSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417069 458940076 /nfs/dbraw/zinc/94/00/76/458940076.db2.gz QWLXJTQRUNRNFC-KDOFPFPSSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417069 458940084 /nfs/dbraw/zinc/94/00/84/458940084.db2.gz QWLXJTQRUNRNFC-KDOFPFPSSA-N 2 2 346.544 3.190 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443005693 459073472 /nfs/dbraw/zinc/07/34/72/459073472.db2.gz YGZVPDYWSHVVSL-JXFKEZNVSA-N 2 2 327.472 3.488 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567851444 459176926 /nfs/dbraw/zinc/17/69/26/459176926.db2.gz IBUDUSDBBHYHTB-IBGZPJMESA-N 3 2 327.516 3.258 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567851444 459176927 /nfs/dbraw/zinc/17/69/27/459176927.db2.gz IBUDUSDBBHYHTB-IBGZPJMESA-N 3 2 327.516 3.258 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871494 459182495 /nfs/dbraw/zinc/18/24/95/459182495.db2.gz GPBFCVFBDGQJRB-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000595007132 459213221 /nfs/dbraw/zinc/21/32/21/459213221.db2.gz JQLCCYXNFCNSGT-AWEZNQCLSA-N 2 2 331.460 3.453 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595031612 459222087 /nfs/dbraw/zinc/22/20/87/459222087.db2.gz IKNVMKMNUASYBZ-LNLFQRSKSA-N 2 2 346.515 3.464 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000595031612 459222094 /nfs/dbraw/zinc/22/20/94/459222094.db2.gz IKNVMKMNUASYBZ-LNLFQRSKSA-N 2 2 346.515 3.464 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000533498794 459244698 /nfs/dbraw/zinc/24/46/98/459244698.db2.gz AUZBRLKDDFZMFW-AWEZNQCLSA-N 2 2 345.487 3.321 10 0 EGAELP Cc1ccc(C)c([C@@H]2C[N@H+](CCCc3c[nH+]cn3C)[C@H](C)CO2)c1 ZINC000568527027 459303859 /nfs/dbraw/zinc/30/38/59/459303859.db2.gz OERNYWCFRHZZQJ-XLIONFOSSA-N 2 2 327.472 3.432 10 0 EGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCc3c[nH+]cn3C)[C@H](C)CO2)c1 ZINC000568527027 459303867 /nfs/dbraw/zinc/30/38/67/459303867.db2.gz OERNYWCFRHZZQJ-XLIONFOSSA-N 2 2 327.472 3.432 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081922 459310755 /nfs/dbraw/zinc/31/07/55/459310755.db2.gz BPYFNYCRBVBHJW-MAUKXSAKSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081922 459310760 /nfs/dbraw/zinc/31/07/60/459310760.db2.gz BPYFNYCRBVBHJW-MAUKXSAKSA-N 2 2 326.444 3.110 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000560514267 459363208 /nfs/dbraw/zinc/36/32/08/459363208.db2.gz VLGDLKQTFDMQPA-VSKRKVRLSA-N 3 2 341.543 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000560514267 459363211 /nfs/dbraw/zinc/36/32/11/459363211.db2.gz VLGDLKQTFDMQPA-VSKRKVRLSA-N 3 2 341.543 3.422 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561047273 459414495 /nfs/dbraw/zinc/41/44/95/459414495.db2.gz YFKWVZZDUAUARN-DUOKCRBOSA-N 2 2 339.886 3.154 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561047273 459414501 /nfs/dbraw/zinc/41/45/01/459414501.db2.gz YFKWVZZDUAUARN-DUOKCRBOSA-N 2 2 339.886 3.154 10 0 EGAELP C[C@@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C[C@H]1n1cc[nH+]c1 ZINC000583124470 459486072 /nfs/dbraw/zinc/48/60/72/459486072.db2.gz CMWZFFMWSMZJLB-CZUORRHYSA-N 2 2 332.411 3.395 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000569810709 459514507 /nfs/dbraw/zinc/51/45/07/459514507.db2.gz ACWIVTFJXXKZIX-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000569810709 459514509 /nfs/dbraw/zinc/51/45/09/459514509.db2.gz ACWIVTFJXXKZIX-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP O[C@@H](C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)C(F)(F)F ZINC000542464714 459559605 /nfs/dbraw/zinc/55/96/05/459559605.db2.gz ORWNMULJFUVGIK-AWEZNQCLSA-N 2 2 345.390 3.069 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000583661609 459576199 /nfs/dbraw/zinc/57/61/99/459576199.db2.gz UVOQCFFVCNZDMZ-UZLBHIALSA-N 2 2 338.451 3.398 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000583661609 459576205 /nfs/dbraw/zinc/57/62/05/459576205.db2.gz UVOQCFFVCNZDMZ-UZLBHIALSA-N 2 2 338.451 3.398 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000583661608 459576417 /nfs/dbraw/zinc/57/64/17/459576417.db2.gz UVOQCFFVCNZDMZ-OXQOHEQNSA-N 2 2 338.451 3.398 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000583661608 459576424 /nfs/dbraw/zinc/57/64/24/459576424.db2.gz UVOQCFFVCNZDMZ-OXQOHEQNSA-N 2 2 338.451 3.398 10 0 EGAELP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)c[nH+]c12 ZINC000592379383 459585801 /nfs/dbraw/zinc/58/58/01/459585801.db2.gz NAJRRUOLIKELOT-LSDHHAIUSA-N 2 2 329.444 3.243 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592533 459672019 /nfs/dbraw/zinc/67/20/19/459672019.db2.gz WSMZRXOVSUUUHE-WBVHZDCISA-N 2 2 329.513 3.312 10 0 EGAELP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)cc1OC ZINC000527700405 459705356 /nfs/dbraw/zinc/70/53/56/459705356.db2.gz HJGAKPKINGPJSJ-UHFFFAOYSA-N 2 2 336.451 3.340 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C[N@@H+]1Cc1ccccc1 ZINC000527806260 459742970 /nfs/dbraw/zinc/74/29/70/459742970.db2.gz LVYLRDOCWQDJRH-MMOPVJDHSA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C[N@H+]1Cc1ccccc1 ZINC000527806260 459742974 /nfs/dbraw/zinc/74/29/74/459742974.db2.gz LVYLRDOCWQDJRH-MMOPVJDHSA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C[N@@H+]1Cc1ccccc1 ZINC000527806258 459743812 /nfs/dbraw/zinc/74/38/12/459743812.db2.gz LVYLRDOCWQDJRH-HGHGUNKESA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C[N@H+]1Cc1ccccc1 ZINC000527806258 459743816 /nfs/dbraw/zinc/74/38/16/459743816.db2.gz LVYLRDOCWQDJRH-HGHGUNKESA-N 2 2 349.478 3.066 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809929 459746335 /nfs/dbraw/zinc/74/63/35/459746335.db2.gz UKVSDCMPBRYAJC-HGHGUNKESA-N 2 2 349.478 3.238 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861762 459761128 /nfs/dbraw/zinc/76/11/28/459761128.db2.gz ZJUFKZYPUYTXEG-SUMWQHHRSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861762 459761132 /nfs/dbraw/zinc/76/11/32/459761132.db2.gz ZJUFKZYPUYTXEG-SUMWQHHRSA-N 2 2 326.843 3.167 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946705 459780141 /nfs/dbraw/zinc/78/01/41/459780141.db2.gz ILPNRBGDYDTNFD-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946705 459780142 /nfs/dbraw/zinc/78/01/42/459780142.db2.gz ILPNRBGDYDTNFD-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006901 459794680 /nfs/dbraw/zinc/79/46/80/459794680.db2.gz AIHXWHSRXIWJEK-NVXWUHKLSA-N 2 2 326.488 3.491 10 0 EGAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006901 459794682 /nfs/dbraw/zinc/79/46/82/459794682.db2.gz AIHXWHSRXIWJEK-NVXWUHKLSA-N 2 2 326.488 3.491 10 0 EGAELP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528013113 459797153 /nfs/dbraw/zinc/79/71/53/459797153.db2.gz MAJIDFAQBWBXAS-MRXNPFEDSA-N 2 2 340.471 3.172 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717774 460022975 /nfs/dbraw/zinc/02/29/75/460022975.db2.gz NQDOVKYVSBZNTO-ICSRJNTNSA-N 2 2 340.515 3.430 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717774 460022985 /nfs/dbraw/zinc/02/29/85/460022985.db2.gz NQDOVKYVSBZNTO-ICSRJNTNSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717774 460022989 /nfs/dbraw/zinc/02/29/89/460022989.db2.gz NQDOVKYVSBZNTO-ICSRJNTNSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717774 460022997 /nfs/dbraw/zinc/02/29/97/460022997.db2.gz NQDOVKYVSBZNTO-ICSRJNTNSA-N 2 2 340.515 3.430 10 0 EGAELP CCCC[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000621932585 460122752 /nfs/dbraw/zinc/12/27/52/460122752.db2.gz HIEBBPCDAYXDKR-JIRNRHONSA-N 2 2 349.563 3.218 10 0 EGAELP CCCC[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000621932585 460122757 /nfs/dbraw/zinc/12/27/57/460122757.db2.gz HIEBBPCDAYXDKR-JIRNRHONSA-N 2 2 349.563 3.218 10 0 EGAELP Cc1cccn2c(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c[nH+]c12 ZINC000619012741 460248045 /nfs/dbraw/zinc/24/80/45/460248045.db2.gz GFARRNFJKFJPPE-UHFFFAOYSA-N 2 2 334.423 3.491 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000626087483 460366436 /nfs/dbraw/zinc/36/64/36/460366436.db2.gz PMZFQWZTQNVYMT-MOPGFXCFSA-N 2 2 338.536 3.159 10 0 EGAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(C3CCCC3)c2)CC1 ZINC000611974046 460499918 /nfs/dbraw/zinc/49/99/18/460499918.db2.gz KXQFFWYMFWORDX-UHFFFAOYSA-N 2 2 343.515 3.100 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629395288 460748092 /nfs/dbraw/zinc/74/80/92/460748092.db2.gz ORZFYWUOXNHIJO-KXBFYZLASA-N 2 2 326.488 3.087 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623860984 460748608 /nfs/dbraw/zinc/74/86/08/460748608.db2.gz LJUDNZIVIHJYIE-INIZCTEOSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623860984 460748611 /nfs/dbraw/zinc/74/86/11/460748611.db2.gz LJUDNZIVIHJYIE-INIZCTEOSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)C1 ZINC000635348560 460751054 /nfs/dbraw/zinc/75/10/54/460751054.db2.gz HXXNDRBILWUCCJ-BMGDILEWSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)C1 ZINC000635348560 460751065 /nfs/dbraw/zinc/75/10/65/460751065.db2.gz HXXNDRBILWUCCJ-BMGDILEWSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)C1 ZINC000635348560 460751076 /nfs/dbraw/zinc/75/10/76/460751076.db2.gz HXXNDRBILWUCCJ-BMGDILEWSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)C1 ZINC000635348560 460751086 /nfs/dbraw/zinc/75/10/86/460751086.db2.gz HXXNDRBILWUCCJ-BMGDILEWSA-N 2 2 338.455 3.384 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629536904 460799485 /nfs/dbraw/zinc/79/94/85/460799485.db2.gz GWADAPUXSBOSHP-BPAFIMBUSA-N 2 2 325.456 3.104 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539728 460800904 /nfs/dbraw/zinc/80/09/04/460800904.db2.gz UALSLKDPPJCNDH-JMSVASOKSA-N 2 2 343.393 3.153 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[C@@H]([NH+]3CCCC3)CC1)nc1ccccc12 ZINC000623984490 460810102 /nfs/dbraw/zinc/81/01/02/460810102.db2.gz KNZFSXMEJLJVDO-MRXNPFEDSA-N 2 2 335.455 3.337 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624011816 460820796 /nfs/dbraw/zinc/82/07/96/460820796.db2.gz JJAYLBDMEMFNNG-INIZCTEOSA-N 2 2 335.455 3.051 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624011816 460820804 /nfs/dbraw/zinc/82/08/04/460820804.db2.gz JJAYLBDMEMFNNG-INIZCTEOSA-N 2 2 335.455 3.051 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1OCc1cccs1 ZINC000629672772 460861258 /nfs/dbraw/zinc/86/12/58/460861258.db2.gz RMRUPOOVQZOZHF-XJKSGUPXSA-N 2 2 332.469 3.176 10 0 EGAELP O=C(Nc1ccc(-c2cccc(-c3[nH]cc[nH+]3)c2)cn1)C1CC[NH2+]CC1 ZINC000629708292 460879622 /nfs/dbraw/zinc/87/96/22/460879622.db2.gz DVBGRJISYPSGAV-UHFFFAOYSA-N 2 2 347.422 3.077 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621374228 461012720 /nfs/dbraw/zinc/01/27/20/461012720.db2.gz WUANLFKYPIBPTF-WMZOPIPTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621374228 461012724 /nfs/dbraw/zinc/01/27/24/461012724.db2.gz WUANLFKYPIBPTF-WMZOPIPTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190722 461041753 /nfs/dbraw/zinc/04/17/53/461041753.db2.gz OAZOKTYQTCZMEW-QUCCMNQESA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190722 461041757 /nfs/dbraw/zinc/04/17/57/461041757.db2.gz OAZOKTYQTCZMEW-QUCCMNQESA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000628190722 461041763 /nfs/dbraw/zinc/04/17/63/461041763.db2.gz OAZOKTYQTCZMEW-QUCCMNQESA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000628190722 461041768 /nfs/dbraw/zinc/04/17/68/461041768.db2.gz OAZOKTYQTCZMEW-QUCCMNQESA-N 2 2 325.456 3.470 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000628214116 461052686 /nfs/dbraw/zinc/05/26/86/461052686.db2.gz KUZYZFNLJQCCBS-CYBMUJFWSA-N 2 2 346.450 3.033 10 0 EGAELP CCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000662253093 461144504 /nfs/dbraw/zinc/14/45/04/461144504.db2.gz VAGFMZIBLVEOSU-KGLIPLIRSA-N 2 2 341.293 3.211 10 0 EGAELP CCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000662253093 461144508 /nfs/dbraw/zinc/14/45/08/461144508.db2.gz VAGFMZIBLVEOSU-KGLIPLIRSA-N 2 2 341.293 3.211 10 0 EGAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566491 461179915 /nfs/dbraw/zinc/17/99/15/461179915.db2.gz MCTHDMGRTPJPKQ-OXQOHEQNSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566491 461179921 /nfs/dbraw/zinc/17/99/21/461179921.db2.gz MCTHDMGRTPJPKQ-OXQOHEQNSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000649566491 461179928 /nfs/dbraw/zinc/17/99/28/461179928.db2.gz MCTHDMGRTPJPKQ-OXQOHEQNSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000649566491 461179931 /nfs/dbraw/zinc/17/99/31/461179931.db2.gz MCTHDMGRTPJPKQ-OXQOHEQNSA-N 2 2 329.488 3.318 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649591526 461199793 /nfs/dbraw/zinc/19/97/93/461199793.db2.gz ABRRDFGKHUEYMW-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649591526 461199798 /nfs/dbraw/zinc/19/97/98/461199798.db2.gz ABRRDFGKHUEYMW-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587951 461197245 /nfs/dbraw/zinc/19/72/45/461197245.db2.gz XIHJVOKHVAHYDA-UTKZUKDTSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587951 461197251 /nfs/dbraw/zinc/19/72/51/461197251.db2.gz XIHJVOKHVAHYDA-UTKZUKDTSA-N 2 2 338.499 3.220 10 0 EGAELP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc21 ZINC000662427352 461238977 /nfs/dbraw/zinc/23/89/77/461238977.db2.gz MSSNXOMYSUZOOA-AEFFLSMTSA-N 2 2 338.455 3.156 10 0 EGAELP c1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)onc1C1CC1 ZINC000638346148 461378856 /nfs/dbraw/zinc/37/88/56/461378856.db2.gz WBEADHMQJNRDSE-UHFFFAOYSA-N 2 2 325.456 3.349 10 0 EGAELP CC(C)CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668740654 461410651 /nfs/dbraw/zinc/41/06/51/461410651.db2.gz KYSKQBFESUASTM-HXUWFJFHSA-N 2 2 346.515 3.143 10 0 EGAELP CC(C)CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668740654 461410659 /nfs/dbraw/zinc/41/06/59/461410659.db2.gz KYSKQBFESUASTM-HXUWFJFHSA-N 2 2 346.515 3.143 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655789089 461447646 /nfs/dbraw/zinc/44/76/46/461447646.db2.gz VNBYWLPMSZKEBB-JKSUJKDBSA-N 2 2 334.426 3.341 10 0 EGAELP C[NH+](C)[C@H]1CCCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642256283 461481130 /nfs/dbraw/zinc/48/11/30/461481130.db2.gz AZXYCUIHWHNHTM-ZDUSSCGKSA-N 2 2 327.407 3.171 10 0 EGAELP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653156225 461527465 /nfs/dbraw/zinc/52/74/65/461527465.db2.gz VLPRIVLHZVHXCE-HKUYNNGSSA-N 2 2 348.450 3.071 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000647182991 461550830 /nfs/dbraw/zinc/55/08/30/461550830.db2.gz DBSITFXRMVPVOY-UHFFFAOYSA-N 2 2 340.471 3.151 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)on1 ZINC000631176398 461614016 /nfs/dbraw/zinc/61/40/16/461614016.db2.gz CIAXTUWVWGZSJO-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)on1 ZINC000631176398 461614020 /nfs/dbraw/zinc/61/40/20/461614020.db2.gz CIAXTUWVWGZSJO-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647289455 461615082 /nfs/dbraw/zinc/61/50/82/461615082.db2.gz VRTYWKBNMQBFND-CQSZACIVSA-N 2 2 330.451 3.271 10 0 EGAELP C[N@@H+]1CCC[C@]2(CCN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)C2)C1 ZINC000656191108 461640013 /nfs/dbraw/zinc/64/00/13/461640013.db2.gz CIYRJIIGCFEUEE-FQEVSTJZSA-N 2 2 343.519 3.025 10 0 EGAELP C[N@H+]1CCC[C@]2(CCN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)C2)C1 ZINC000656191108 461640020 /nfs/dbraw/zinc/64/00/20/461640020.db2.gz CIYRJIIGCFEUEE-FQEVSTJZSA-N 2 2 343.519 3.025 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000656191924 461641605 /nfs/dbraw/zinc/64/16/05/461641605.db2.gz FXBSEPYSAWDXBQ-OAHLLOKOSA-N 2 2 332.473 3.230 10 0 EGAELP COCc1cc[nH+]c(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000650244816 461658415 /nfs/dbraw/zinc/65/84/15/461658415.db2.gz QIUYHVXEOOIYJT-UHFFFAOYSA-N 2 2 341.455 3.315 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253525 461675566 /nfs/dbraw/zinc/67/55/66/461675566.db2.gz PBXLPCJITWLAMY-HNAYVOBHSA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253525 461675575 /nfs/dbraw/zinc/67/55/75/461675575.db2.gz PBXLPCJITWLAMY-HNAYVOBHSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253525 461675582 /nfs/dbraw/zinc/67/55/82/461675582.db2.gz PBXLPCJITWLAMY-HNAYVOBHSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000656253525 461675591 /nfs/dbraw/zinc/67/55/91/461675591.db2.gz PBXLPCJITWLAMY-HNAYVOBHSA-N 2 2 344.478 3.482 10 0 EGAELP Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000647479641 461724548 /nfs/dbraw/zinc/72/45/48/461724548.db2.gz OCMFUWHYFCFWAD-JSGCOSHPSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000647479641 461724555 /nfs/dbraw/zinc/72/45/55/461724555.db2.gz OCMFUWHYFCFWAD-JSGCOSHPSA-N 2 2 339.277 3.119 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481048 461729281 /nfs/dbraw/zinc/72/92/81/461729281.db2.gz YDLDMECSOKKNIX-GDBMZVCRSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481048 461729286 /nfs/dbraw/zinc/72/92/86/461729286.db2.gz YDLDMECSOKKNIX-GDBMZVCRSA-N 2 2 338.879 3.321 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901211 461876945 /nfs/dbraw/zinc/87/69/45/461876945.db2.gz LAMKZRMGBGLFRX-APWZRJJASA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901211 461876950 /nfs/dbraw/zinc/87/69/50/461876950.db2.gz LAMKZRMGBGLFRX-APWZRJJASA-N 2 2 341.455 3.314 10 0 EGAELP c1cnn(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)cc2)c1 ZINC000656788576 461897900 /nfs/dbraw/zinc/89/79/00/461897900.db2.gz BVWFQNOTSVBDJV-NHCUHLMSSA-N 2 2 332.451 3.108 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2OC)cc1 ZINC000656790059 461899298 /nfs/dbraw/zinc/89/92/98/461899298.db2.gz HTEAHKIXWQGEHT-PMACEKPBSA-N 2 2 340.467 3.329 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643406 461899976 /nfs/dbraw/zinc/89/99/76/461899976.db2.gz ZCRIWPNKTSABJL-QGZVFWFLSA-N 2 2 328.378 3.345 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643406 461899980 /nfs/dbraw/zinc/89/99/80/461899980.db2.gz ZCRIWPNKTSABJL-QGZVFWFLSA-N 2 2 328.378 3.345 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643406 461899990 /nfs/dbraw/zinc/89/99/90/461899990.db2.gz ZCRIWPNKTSABJL-QGZVFWFLSA-N 2 2 328.378 3.345 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643406 461899992 /nfs/dbraw/zinc/89/99/92/461899992.db2.gz ZCRIWPNKTSABJL-QGZVFWFLSA-N 2 2 328.378 3.345 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000656789828 461900033 /nfs/dbraw/zinc/90/00/33/461900033.db2.gz AFDGSAFSSHJEHB-ROUUACIJSA-N 2 2 343.496 3.264 10 0 EGAELP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956683 461908217 /nfs/dbraw/zinc/90/82/17/461908217.db2.gz WMOQHIKXCDSUKJ-HKUYNNGSSA-N 2 2 349.544 3.027 10 0 EGAELP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956683 461908224 /nfs/dbraw/zinc/90/82/24/461908224.db2.gz WMOQHIKXCDSUKJ-HKUYNNGSSA-N 2 2 349.544 3.027 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655621 461908348 /nfs/dbraw/zinc/90/83/48/461908348.db2.gz OFNFPOPIOQLSDT-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655621 461908352 /nfs/dbraw/zinc/90/83/52/461908352.db2.gz OFNFPOPIOQLSDT-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655621 461908354 /nfs/dbraw/zinc/90/83/54/461908354.db2.gz OFNFPOPIOQLSDT-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655621 461908358 /nfs/dbraw/zinc/90/83/58/461908358.db2.gz OFNFPOPIOQLSDT-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nc(C4CCC4)no3)C2)n2c1CCCC2 ZINC000639626739 462025517 /nfs/dbraw/zinc/02/55/17/462025517.db2.gz YMCJSBCQIZJMHP-HNNXBMFYSA-N 2 2 341.459 3.250 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3nc(C4CCC4)no3)C2)n2c1CCCC2 ZINC000639626739 462025525 /nfs/dbraw/zinc/02/55/25/462025525.db2.gz YMCJSBCQIZJMHP-HNNXBMFYSA-N 2 2 341.459 3.250 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311772 462036360 /nfs/dbraw/zinc/03/63/60/462036360.db2.gz URLWRFBOJIUEBD-QGZVFWFLSA-N 2 2 338.499 3.494 10 0 EGAELP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311772 462036366 /nfs/dbraw/zinc/03/63/66/462036366.db2.gz URLWRFBOJIUEBD-QGZVFWFLSA-N 2 2 338.499 3.494 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn3c2CCC3)c(C)c1 ZINC000657414184 462107967 /nfs/dbraw/zinc/10/79/67/462107967.db2.gz JVPNOYJZNRDKHF-IBGZPJMESA-N 2 2 335.455 3.174 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](Cc3cc4ccc(C)cc4[nH]3)CC2)c1 ZINC000667596708 462165085 /nfs/dbraw/zinc/16/50/85/462165085.db2.gz OYWFBOPWQOYULD-UHFFFAOYSA-N 2 2 336.439 3.202 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866275 462222323 /nfs/dbraw/zinc/22/23/23/462222323.db2.gz OXYNAHIXAPOACF-UHFFFAOYSA-N 2 2 335.455 3.488 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866275 462222328 /nfs/dbraw/zinc/22/23/28/462222328.db2.gz OXYNAHIXAPOACF-UHFFFAOYSA-N 2 2 335.455 3.488 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)C[NH+]1CCOCC1 ZINC000651720184 462315106 /nfs/dbraw/zinc/31/51/06/462315106.db2.gz SKFLNXZPUZOFHR-DOMZBBRYSA-N 2 2 326.843 3.024 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053449 462358915 /nfs/dbraw/zinc/35/89/15/462358915.db2.gz AZEAHDWHSOFINL-CZUORRHYSA-N 2 2 333.476 3.177 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053449 462358922 /nfs/dbraw/zinc/35/89/22/462358922.db2.gz AZEAHDWHSOFINL-CZUORRHYSA-N 2 2 333.476 3.177 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053496 462359219 /nfs/dbraw/zinc/35/92/19/462359219.db2.gz BJSZOWCNVKCAAU-FUHWJXTLSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053496 462359225 /nfs/dbraw/zinc/35/92/25/462359225.db2.gz BJSZOWCNVKCAAU-FUHWJXTLSA-N 3 2 333.520 3.150 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658057732 462361164 /nfs/dbraw/zinc/36/11/64/462361164.db2.gz BGJINHYXUZJFIN-RBUKOAKNSA-N 2 2 341.503 3.180 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658057732 462361172 /nfs/dbraw/zinc/36/11/72/462361172.db2.gz BGJINHYXUZJFIN-RBUKOAKNSA-N 2 2 341.503 3.180 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057634 462361983 /nfs/dbraw/zinc/36/19/83/462361983.db2.gz PMFFAFLQCLIGQB-HIFRSBDPSA-N 2 2 329.488 3.440 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057634 462361988 /nfs/dbraw/zinc/36/19/88/462361988.db2.gz PMFFAFLQCLIGQB-HIFRSBDPSA-N 2 2 329.488 3.440 10 0 EGAELP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277960 462381406 /nfs/dbraw/zinc/38/14/06/462381406.db2.gz QTFPQFBQLUXIOB-OFWKBQFLSA-N 2 2 337.261 3.004 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102887 462384837 /nfs/dbraw/zinc/38/48/37/462384837.db2.gz RHYOEACBMHZZTD-IQZDNPOKSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102887 462384846 /nfs/dbraw/zinc/38/48/46/462384846.db2.gz RHYOEACBMHZZTD-IQZDNPOKSA-N 2 2 337.471 3.069 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000654828363 462394620 /nfs/dbraw/zinc/39/46/20/462394620.db2.gz AMAMQRPWMQEVDC-QGZVFWFLSA-N 2 2 348.878 3.112 10 0 EGAELP c1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccnc2c1 ZINC000658127217 462396294 /nfs/dbraw/zinc/39/62/94/462396294.db2.gz KXDAEKNZAOTEFG-UHFFFAOYSA-N 2 2 346.478 3.427 10 0 EGAELP C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652225922 462479210 /nfs/dbraw/zinc/47/92/10/462479210.db2.gz IBFRUJZKOGUVSZ-JTSKRJEESA-N 2 2 347.462 3.399 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)c2nccn2C)CC1 ZINC000658339321 462480931 /nfs/dbraw/zinc/48/09/31/462480931.db2.gz QPLQGDFLRNMHES-IAGOWNOFSA-N 2 2 326.488 3.166 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658340759 462482133 /nfs/dbraw/zinc/48/21/33/462482133.db2.gz DJJCPAIRRMUSJG-RDJZCZTQSA-N 2 2 343.437 3.123 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658340759 462482137 /nfs/dbraw/zinc/48/21/37/462482137.db2.gz DJJCPAIRRMUSJG-RDJZCZTQSA-N 2 2 343.437 3.123 10 0 EGAELP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000190330605 533838520 /nfs/dbraw/zinc/83/85/20/533838520.db2.gz NOLCXZMPQZPOJB-INIZCTEOSA-N 2 2 341.455 3.456 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000191304750 526640736 /nfs/dbraw/zinc/64/07/36/526640736.db2.gz ROVCDCKGBLEZBD-LBPRGKRZSA-N 2 2 336.233 3.371 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000191304750 526640742 /nfs/dbraw/zinc/64/07/42/526640742.db2.gz ROVCDCKGBLEZBD-LBPRGKRZSA-N 2 2 336.233 3.371 10 0 EGAELP CO[C@H](C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000175198444 536506090 /nfs/dbraw/zinc/50/60/90/536506090.db2.gz GHCQJNKYSHDZJV-CYBMUJFWSA-N 2 2 334.489 3.039 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247154516 536173280 /nfs/dbraw/zinc/17/32/80/536173280.db2.gz LVFAEOZHHAEFFZ-CZUORRHYSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247154516 536173285 /nfs/dbraw/zinc/17/32/85/536173285.db2.gz LVFAEOZHHAEFFZ-CZUORRHYSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1ccc(C[NH+]2CCN(Cc3c[nH+]c4ccccn34)CC2)s1 ZINC000353442700 536176544 /nfs/dbraw/zinc/17/65/44/536176544.db2.gz QCVSJUBXFOACTC-UHFFFAOYSA-N 2 2 340.496 3.276 10 0 EGAELP CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188414735 547148282 /nfs/dbraw/zinc/14/82/82/547148282.db2.gz XBXAKQSDJZFOME-QGZVFWFLSA-N 2 2 327.428 3.193 10 0 EGAELP CC1(C)OCc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188414735 547148285 /nfs/dbraw/zinc/14/82/85/547148285.db2.gz XBXAKQSDJZFOME-QGZVFWFLSA-N 2 2 327.428 3.193 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394587 547561218 /nfs/dbraw/zinc/56/12/18/547561218.db2.gz BPOJQZWBCCBPND-MRXNPFEDSA-N 2 2 332.835 3.339 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394587 547561223 /nfs/dbraw/zinc/56/12/23/547561223.db2.gz BPOJQZWBCCBPND-MRXNPFEDSA-N 2 2 332.835 3.339 10 0 EGAELP CCCC[C@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353112155 547691203 /nfs/dbraw/zinc/69/12/03/547691203.db2.gz PPAWERZPXQRPGA-QBUWPKIASA-N 2 2 337.552 3.266 10 0 EGAELP CCCC[C@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353112155 547691209 /nfs/dbraw/zinc/69/12/09/547691209.db2.gz PPAWERZPXQRPGA-QBUWPKIASA-N 2 2 337.552 3.266 10 0 EGAELP COc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398085567 547835965 /nfs/dbraw/zinc/83/59/65/547835965.db2.gz IAANCDKKLPYYJV-YOEHRIQHSA-N 2 2 331.485 3.152 10 0 EGAELP COc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398085567 547835966 /nfs/dbraw/zinc/83/59/66/547835966.db2.gz IAANCDKKLPYYJV-YOEHRIQHSA-N 2 2 331.485 3.152 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925865 549006363 /nfs/dbraw/zinc/00/63/63/549006363.db2.gz CHAWMIMOBQXQNU-CRAIPNDOSA-N 2 2 344.528 3.209 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925865 549006367 /nfs/dbraw/zinc/00/63/67/549006367.db2.gz CHAWMIMOBQXQNU-CRAIPNDOSA-N 2 2 344.528 3.209 10 0 EGAELP c1cn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)c[nH+]1 ZINC000678235763 549437945 /nfs/dbraw/zinc/43/79/45/549437945.db2.gz PGXTVTGEYDAUNG-AWEZNQCLSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)c[nH+]1 ZINC000678235763 549437951 /nfs/dbraw/zinc/43/79/51/549437951.db2.gz PGXTVTGEYDAUNG-AWEZNQCLSA-N 2 2 325.441 3.239 10 0 EGAELP c1ccc(COc2ccc[nH+]c2N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000680620604 549886257 /nfs/dbraw/zinc/88/62/57/549886257.db2.gz VXHARTPHCBYFMG-UHFFFAOYSA-N 2 2 346.434 3.382 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919771 574895594 /nfs/dbraw/zinc/89/55/94/574895594.db2.gz CRTOQRDKXZRKMN-BBRMVZONSA-N 2 2 339.361 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919771 574895596 /nfs/dbraw/zinc/89/55/96/574895596.db2.gz CRTOQRDKXZRKMN-BBRMVZONSA-N 2 2 339.361 3.272 10 0 EGAELP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391095 576778290 /nfs/dbraw/zinc/77/82/90/576778290.db2.gz CUZQYAUJGDHGKO-CYBMUJFWSA-N 2 2 349.360 3.482 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000744403914 576827408 /nfs/dbraw/zinc/82/74/08/576827408.db2.gz AJANAEPIDLTJSW-OKZBNKHCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000744403914 576827409 /nfs/dbraw/zinc/82/74/09/576827409.db2.gz AJANAEPIDLTJSW-OKZBNKHCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000744403914 576827410 /nfs/dbraw/zinc/82/74/10/576827410.db2.gz AJANAEPIDLTJSW-OKZBNKHCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000744403914 576827411 /nfs/dbraw/zinc/82/74/11/576827411.db2.gz AJANAEPIDLTJSW-OKZBNKHCSA-N 2 2 325.541 3.266 10 0 EGAELP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121593922 1293379660 /nfs/dbraw/zinc/37/96/60/1293379660.db2.gz DGNNOCRTGLFIEI-KXBFYZLASA-N 2 2 339.418 3.426 10 0 EGAELP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121593922 1293379670 /nfs/dbraw/zinc/37/96/70/1293379670.db2.gz DGNNOCRTGLFIEI-KXBFYZLASA-N 2 2 339.418 3.426 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000581816158 1298018879 /nfs/dbraw/zinc/01/88/79/1298018879.db2.gz MWAAUMHIIXSLIE-GOSISDBHSA-N 2 2 343.471 3.226 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000581816158 1298018889 /nfs/dbraw/zinc/01/88/89/1298018889.db2.gz MWAAUMHIIXSLIE-GOSISDBHSA-N 2 2 343.471 3.226 10 0 EGAELP CCn1nc(C)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC000895110863 1309195454 /nfs/dbraw/zinc/19/54/54/1309195454.db2.gz AQPQSUNBOYKPQI-QAQDUYKDSA-N 2 2 327.476 3.191 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000895115235 1309196743 /nfs/dbraw/zinc/19/67/43/1309196743.db2.gz NJKFRAPNCMYMDP-QAGGRKNESA-N 2 2 327.472 3.116 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)cc(OC)c2OC)CC1 ZINC000895823199 1309538283 /nfs/dbraw/zinc/53/82/83/1309538283.db2.gz VDPFTNNXOKHINF-UHFFFAOYSA-N 2 2 332.488 3.463 10 0 EGAELP c1csc(C[C@@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000896527189 1309901841 /nfs/dbraw/zinc/90/18/41/1309901841.db2.gz CMPRPSIKCQZJKY-HNNXBMFYSA-N 2 2 339.468 3.179 10 0 EGAELP c1csc(C[C@@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000896527189 1309901850 /nfs/dbraw/zinc/90/18/50/1309901850.db2.gz CMPRPSIKCQZJKY-HNNXBMFYSA-N 2 2 339.468 3.179 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685461 1328668282 /nfs/dbraw/zinc/66/82/82/1328668282.db2.gz BGIZEVIMBOLZSP-XHSDSOJGSA-N 2 2 334.426 3.437 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685461 1328668287 /nfs/dbraw/zinc/66/82/87/1328668287.db2.gz BGIZEVIMBOLZSP-XHSDSOJGSA-N 2 2 334.426 3.437 10 0 EGAELP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858283330 1328728683 /nfs/dbraw/zinc/72/86/83/1328728683.db2.gz GZIHDDBUDUTUNS-MFCZKXCZSA-N 2 2 331.504 3.123 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000929961332 1328750484 /nfs/dbraw/zinc/75/04/84/1328750484.db2.gz LDNQRNUFRLMASI-UHFFFAOYSA-N 2 2 339.524 3.238 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C2CCC2)n1 ZINC000921529412 1322341602 /nfs/dbraw/zinc/34/16/02/1322341602.db2.gz ZQTGNORWEWENDY-UHFFFAOYSA-N 2 2 338.499 3.405 10 0 EGAELP Fc1cc(C[NH2+]Cc2ccnn2C2CCC2)ccc1-n1cc[nH+]c1 ZINC000921588024 1322359458 /nfs/dbraw/zinc/35/94/58/1322359458.db2.gz DMVMKZDHIYDUKD-UHFFFAOYSA-N 2 2 325.391 3.223 10 0 EGAELP COC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(F)c1 ZINC000921746302 1322390655 /nfs/dbraw/zinc/39/06/55/1322390655.db2.gz ZAFFQXMVURZLCO-UHFFFAOYSA-N 2 2 348.393 3.103 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCc3cccc4c3OCCO4)c2)c[nH+]1 ZINC000922944596 1322655917 /nfs/dbraw/zinc/65/59/17/1322655917.db2.gz IMLMTQTYJYJDFU-UHFFFAOYSA-N 2 2 341.436 3.037 10 0 EGAELP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923328240 1322734795 /nfs/dbraw/zinc/73/47/95/1322734795.db2.gz UVSKRCUJLMZLLR-OAHLLOKOSA-N 2 2 344.528 3.117 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000924829657 1323180691 /nfs/dbraw/zinc/18/06/91/1323180691.db2.gz RTRNVTUEICSTGX-OAHLLOKOSA-N 2 2 329.492 3.297 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000924829657 1323180694 /nfs/dbraw/zinc/18/06/94/1323180694.db2.gz RTRNVTUEICSTGX-OAHLLOKOSA-N 2 2 329.492 3.297 10 0 EGAELP Cc1cc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000931288002 1329085486 /nfs/dbraw/zinc/08/54/86/1329085486.db2.gz GKNZYOWBEZOUCQ-UHFFFAOYSA-N 2 2 339.483 3.230 10 0 EGAELP Cc1cc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000931288002 1329085490 /nfs/dbraw/zinc/08/54/90/1329085490.db2.gz GKNZYOWBEZOUCQ-UHFFFAOYSA-N 2 2 339.483 3.230 10 0 EGAELP C[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000931465055 1329124666 /nfs/dbraw/zinc/12/46/66/1329124666.db2.gz NTFCCHVFRRUNEG-INIZCTEOSA-N 2 2 330.472 3.161 10 0 EGAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc(OCc2ccccn2)c1 ZINC000931719231 1329171158 /nfs/dbraw/zinc/17/11/58/1329171158.db2.gz OHGBAHDHZURICW-VQTJNVASSA-N 2 2 337.467 3.329 10 0 EGAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc(OCc2ccccn2)c1 ZINC000931719231 1329171160 /nfs/dbraw/zinc/17/11/60/1329171160.db2.gz OHGBAHDHZURICW-VQTJNVASSA-N 2 2 337.467 3.329 10 0 EGAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000931719231 1329171161 /nfs/dbraw/zinc/17/11/61/1329171161.db2.gz OHGBAHDHZURICW-VQTJNVASSA-N 2 2 337.467 3.329 10 0 EGAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000931719231 1329171163 /nfs/dbraw/zinc/17/11/63/1329171163.db2.gz OHGBAHDHZURICW-VQTJNVASSA-N 2 2 337.467 3.329 10 0 EGAELP Brc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2c1 ZINC000925640620 1325243555 /nfs/dbraw/zinc/24/35/55/1325243555.db2.gz UETLBNNNHGEVRN-HNNXBMFYSA-N 2 2 334.261 3.305 10 0 EGAELP c1csc([C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2nnc[nH]2)c1 ZINC000925810249 1325311452 /nfs/dbraw/zinc/31/14/52/1325311452.db2.gz YFTJCCWVJBTCNY-MRXNPFEDSA-N 2 2 333.505 3.105 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCOCC1 ZINC000926957157 1327796560 /nfs/dbraw/zinc/79/65/60/1327796560.db2.gz GILDEMSSBATJJQ-UXHICEINSA-N 2 2 328.500 3.446 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCOCC1 ZINC000926957157 1327796566 /nfs/dbraw/zinc/79/65/66/1327796566.db2.gz GILDEMSSBATJJQ-UXHICEINSA-N 2 2 328.500 3.446 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C)C[NH+](C)C ZINC000926960244 1327797633 /nfs/dbraw/zinc/79/76/33/1327797633.db2.gz FXZJLZVTSOOUKK-BBRMVZONSA-N 2 2 348.516 3.131 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H]1CCCSc2ccc(OC)cc21)C[NH+](C)C ZINC000926961423 1327798508 /nfs/dbraw/zinc/79/85/08/1327798508.db2.gz OWJNMJFXQFSBTA-DOTOQJQBSA-N 2 2 338.517 3.179 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C[NH+](C)C ZINC000926962378 1327799919 /nfs/dbraw/zinc/79/99/19/1327799919.db2.gz LNCDGSQCNWFHER-JXFKEZNVSA-N 2 2 327.472 3.366 10 0 EGAELP CC(=O)NCC1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000865461756 1329700472 /nfs/dbraw/zinc/70/04/72/1329700472.db2.gz AKYKZWMXSDNUBZ-PPDQVPDSSA-N 2 2 345.531 3.400 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1c[nH]c2cccc(F)c21 ZINC001323113846 1387293982 /nfs/dbraw/zinc/29/39/82/1387293982.db2.gz FDWXPXFYHGLYEV-UHFFFAOYSA-N 2 2 335.342 3.448 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856944 1387476927 /nfs/dbraw/zinc/47/69/27/1387476927.db2.gz FNTKEKMWOHOAIH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856944 1387476931 /nfs/dbraw/zinc/47/69/31/1387476931.db2.gz FNTKEKMWOHOAIH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856944 1387476933 /nfs/dbraw/zinc/47/69/33/1387476933.db2.gz FNTKEKMWOHOAIH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856944 1387476937 /nfs/dbraw/zinc/47/69/37/1387476937.db2.gz FNTKEKMWOHOAIH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001324057261 1387523154 /nfs/dbraw/zinc/52/31/54/1387523154.db2.gz QPRQTGFQMBYQJE-CRAIPNDOSA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001324067528 1387526606 /nfs/dbraw/zinc/52/66/06/1387526606.db2.gz KAXYTXSLSBDBNM-GDBMZVCRSA-N 2 2 328.460 3.192 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894353 1388067222 /nfs/dbraw/zinc/06/72/22/1388067222.db2.gz APSLISIGUVJDDV-XOIGSVRCSA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894353 1388067228 /nfs/dbraw/zinc/06/72/28/1388067228.db2.gz APSLISIGUVJDDV-XOIGSVRCSA-N 2 2 344.503 3.085 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001325918557 1388081565 /nfs/dbraw/zinc/08/15/65/1388081565.db2.gz FBTAYKBWPOQPNE-RCCFBDPRSA-N 2 2 332.492 3.090 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001325918557 1388081570 /nfs/dbraw/zinc/08/15/70/1388081570.db2.gz FBTAYKBWPOQPNE-RCCFBDPRSA-N 2 2 332.492 3.090 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001119598258 1371371713 /nfs/dbraw/zinc/37/17/13/1371371713.db2.gz MXRPCYAWMRITST-AGUYFDCRSA-N 2 2 328.441 3.188 10 0 EGAELP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001326482541 1388210606 /nfs/dbraw/zinc/21/06/06/1388210606.db2.gz XSLAFYIYANLDQK-OAHLLOKOSA-N 2 2 340.471 3.109 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001326774371 1388306767 /nfs/dbraw/zinc/30/67/67/1388306767.db2.gz ZSQWPYJWUAGFLE-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP O=C(N[C@H]1CCC[N@@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001327130366 1388394434 /nfs/dbraw/zinc/39/44/34/1388394434.db2.gz MJWOERWCSIIOMQ-INIZCTEOSA-N 2 2 346.450 3.287 10 0 EGAELP O=C(N[C@H]1CCC[N@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001327130366 1388394441 /nfs/dbraw/zinc/39/44/41/1388394441.db2.gz MJWOERWCSIIOMQ-INIZCTEOSA-N 2 2 346.450 3.287 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327131895 1388395665 /nfs/dbraw/zinc/39/56/65/1388395665.db2.gz VOWHPWOWGNEVQJ-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327131895 1388395668 /nfs/dbraw/zinc/39/56/68/1388395668.db2.gz VOWHPWOWGNEVQJ-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP 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ZINC001284179339 1379568962 /nfs/dbraw/zinc/56/89/62/1379568962.db2.gz MJBZDEJPIRBKAZ-CVEARBPZSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196940 1379590376 /nfs/dbraw/zinc/59/03/76/1379590376.db2.gz OJIIBGNDZKULAH-SJORKVTESA-N 2 2 342.487 3.259 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001284291813 1379679826 /nfs/dbraw/zinc/67/98/26/1379679826.db2.gz AOAZKHQLQARAEN-DYVFJYSZSA-N 2 2 328.460 3.049 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c[nH+]1 ZINC001306832398 1383908777 /nfs/dbraw/zinc/90/87/77/1383908777.db2.gz ZSTILNFMGWJVRY-UHFFFAOYSA-N 2 2 346.519 3.089 10 0 EGAELP CCNc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC001307676207 1384012747 /nfs/dbraw/zinc/01/27/47/1384012747.db2.gz KWCCQAVFRMODDL-UHFFFAOYSA-N 2 2 333.505 3.464 10 0 EGAELP CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308166263 1384104303 /nfs/dbraw/zinc/10/43/03/1384104303.db2.gz 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ZINC001320463090 1386616250 /nfs/dbraw/zinc/61/62/50/1386616250.db2.gz FCLNSRJONWPXGW-AWEZNQCLSA-N 2 2 328.460 3.241 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(NCCc3ccc(F)cc3)[nH+]c2)C1 ZINC001320753317 1386709529 /nfs/dbraw/zinc/70/95/29/1386709529.db2.gz GJKOPHLTDODXSF-SFHVURJKSA-N 2 2 328.435 3.016 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698671906 1406321239 /nfs/dbraw/zinc/32/12/39/1406321239.db2.gz GCFRXLZZWSMBLP-HOTGVXAUSA-N 2 2 342.487 3.441 10 0 EGAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001321595040 1386937147 /nfs/dbraw/zinc/93/71/47/1386937147.db2.gz PSSMFJHCUMFJSZ-QGZVFWFLSA-N 2 2 339.483 3.266 10 0 EGAELP CCCC[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001329241377 1389032145 /nfs/dbraw/zinc/03/21/45/1389032145.db2.gz ZUPHGHBBJJUXKD-UHFFFAOYSA-N 2 2 328.460 3.107 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001329560549 1389156484 /nfs/dbraw/zinc/15/64/84/1389156484.db2.gz 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EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351171 1390522289 /nfs/dbraw/zinc/52/22/89/1390522289.db2.gz XAHYADPARMSICX-VQIMIIECSA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351171 1390522291 /nfs/dbraw/zinc/52/22/91/1390522291.db2.gz XAHYADPARMSICX-VQIMIIECSA-N 2 2 326.488 3.485 10 0 EGAELP COC(=O)c1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001350563561 1391481375 /nfs/dbraw/zinc/48/13/75/1391481375.db2.gz YBNSPSCBKMRNLG-IBGZPJMESA-N 2 2 349.434 3.280 10 0 EGAELP CC[C@H](C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001479600087 1392285230 /nfs/dbraw/zinc/28/52/30/1392285230.db2.gz MEEPPUBBSDBWMP-YQVWRLOYSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479738179 1392350791 /nfs/dbraw/zinc/35/07/91/1392350791.db2.gz XOBNLVXVFSPOAC-RCCFBDPRSA-N 2 2 346.519 3.027 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479738179 1392350796 /nfs/dbraw/zinc/35/07/96/1392350796.db2.gz XOBNLVXVFSPOAC-RCCFBDPRSA-N 2 2 346.519 3.027 10 0 EGAELP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480078881 1392568238 /nfs/dbraw/zinc/56/82/38/1392568238.db2.gz OAELTBAMLREVJZ-RBUKOAKNSA-N 2 2 348.535 3.441 10 0 EGAELP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480078881 1392568240 /nfs/dbraw/zinc/56/82/40/1392568240.db2.gz OAELTBAMLREVJZ-RBUKOAKNSA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190323 1392620071 /nfs/dbraw/zinc/62/00/71/1392620071.db2.gz ZOGLAKASVUSVFP-ROUUACIJSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190323 1392620072 /nfs/dbraw/zinc/62/00/72/1392620072.db2.gz ZOGLAKASVUSVFP-ROUUACIJSA-N 2 2 346.519 3.022 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001480486759 1392767533 /nfs/dbraw/zinc/76/75/33/1392767533.db2.gz OXABROIHFOQGNC-SHARSMKWSA-N 2 2 328.460 3.097 10 0 EGAELP CC(C)CC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001481180217 1393143152 /nfs/dbraw/zinc/14/31/52/1393143152.db2.gz NIEZUSFESBSJTH-UHFFFAOYSA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)CC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001481180217 1393143153 /nfs/dbraw/zinc/14/31/53/1393143153.db2.gz NIEZUSFESBSJTH-UHFFFAOYSA-N 2 2 340.471 3.113 10 0 EGAELP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001698935263 1406674391 /nfs/dbraw/zinc/67/43/91/1406674391.db2.gz PHNRTHNGJPQMFR-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001698936000 1406675204 /nfs/dbraw/zinc/67/52/04/1406675204.db2.gz HHOGCNAMSYGZHW-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP C[N@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481502750 1394349184 /nfs/dbraw/zinc/34/91/84/1394349184.db2.gz CTLSSWXHKQBXTP-MRXNPFEDSA-N 2 2 348.535 3.294 10 0 EGAELP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481502750 1394349191 /nfs/dbraw/zinc/34/91/91/1394349191.db2.gz CTLSSWXHKQBXTP-MRXNPFEDSA-N 2 2 348.535 3.294 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001481674577 1394442763 /nfs/dbraw/zinc/44/27/63/1394442763.db2.gz WHPHWWGKIMKZJD-DCWZWWHRSA-N 2 2 344.503 3.112 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001481674577 1394442765 /nfs/dbraw/zinc/44/27/65/1394442765.db2.gz WHPHWWGKIMKZJD-DCWZWWHRSA-N 2 2 344.503 3.112 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481742602 1394487795 /nfs/dbraw/zinc/48/77/95/1394487795.db2.gz DJKCRRUYFAXPQL-DFOOCIKTSA-N 2 2 332.492 3.113 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481742602 1394487800 /nfs/dbraw/zinc/48/78/00/1394487800.db2.gz DJKCRRUYFAXPQL-DFOOCIKTSA-N 2 2 332.492 3.113 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCC(C)C)CCCC3)ccn12 ZINC001482219210 1394812139 /nfs/dbraw/zinc/81/21/39/1394812139.db2.gz GHMGFVQAZLRYRR-UHFFFAOYSA-N 2 2 342.487 3.321 10 0 EGAELP CC/C=C\CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001698964078 1406720928 /nfs/dbraw/zinc/72/09/28/1406720928.db2.gz ZDOICVARXSBOOD-HPFMTEOYSA-N 2 2 342.487 3.343 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CC[C@H](C)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482386254 1394947279 /nfs/dbraw/zinc/94/72/79/1394947279.db2.gz FUHHSMWIZUFHDD-ZFWWWQNUSA-N 2 2 334.439 3.045 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001482420822 1394983218 /nfs/dbraw/zinc/98/32/18/1394983218.db2.gz GAKPZOCBBWVODW-YJBOKZPZSA-N 2 2 342.487 3.273 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482457912 1395016476 /nfs/dbraw/zinc/01/64/76/1395016476.db2.gz YUWYRLGXLOYIFI-LJQANCHMSA-N 2 2 344.503 3.204 10 0 EGAELP CN(CCC[N@H+](C)CCC1=CCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001484765334 1395519484 /nfs/dbraw/zinc/51/94/84/1395519484.db2.gz BRBHZZCSNAKOOG-UHFFFAOYSA-N 2 2 346.519 3.358 10 0 EGAELP CN(CCC[N@@H+](C)CCC1=CCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001484765334 1395519485 /nfs/dbraw/zinc/51/94/85/1395519485.db2.gz BRBHZZCSNAKOOG-UHFFFAOYSA-N 2 2 346.519 3.358 10 0 EGAELP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001484895773 1395591564 /nfs/dbraw/zinc/59/15/64/1395591564.db2.gz PJRXVHMSMISBRA-QFBILLFUSA-N 2 2 340.471 3.113 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485254186 1395740976 /nfs/dbraw/zinc/74/09/76/1395740976.db2.gz OJLISWFKVTYHDW-IAGOWNOFSA-N 2 2 346.519 3.168 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485254186 1395740978 /nfs/dbraw/zinc/74/09/78/1395740978.db2.gz OJLISWFKVTYHDW-IAGOWNOFSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001485605230 1396069749 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WNWZFWMVFZIHLI-SJORKVTESA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001501389614 1396192509 /nfs/dbraw/zinc/19/25/09/1396192509.db2.gz AOMGZHOFXVTLCX-WDSOQIARSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001501389614 1396192510 /nfs/dbraw/zinc/19/25/10/1396192510.db2.gz AOMGZHOFXVTLCX-WDSOQIARSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001501389614 1396192511 /nfs/dbraw/zinc/19/25/11/1396192511.db2.gz AOMGZHOFXVTLCX-WDSOQIARSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001501389614 1396192512 /nfs/dbraw/zinc/19/25/12/1396192512.db2.gz AOMGZHOFXVTLCX-WDSOQIARSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCC(C)(C)C ZINC001496572318 1396716303 /nfs/dbraw/zinc/71/63/03/1396716303.db2.gz BHMPIGIDANDJHW-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001497685131 1396781923 /nfs/dbraw/zinc/78/19/23/1396781923.db2.gz IUPAZEIHIFKFAX-APHBUQMISA-N 2 2 348.450 3.129 10 0 EGAELP CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365588 1403704796 /nfs/dbraw/zinc/70/47/96/1403704796.db2.gz JCFAVUMTLSOQKI-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365588 1403704803 /nfs/dbraw/zinc/70/48/03/1403704803.db2.gz JCFAVUMTLSOQKI-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001689857418 1404171797 /nfs/dbraw/zinc/17/17/97/1404171797.db2.gz SIOMMYKUJGAITJ-HOTGVXAUSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001689857418 1404171798 /nfs/dbraw/zinc/17/17/98/1404171798.db2.gz SIOMMYKUJGAITJ-HOTGVXAUSA-N 2 2 346.450 3.173 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001690350072 1404487857 /nfs/dbraw/zinc/48/78/57/1404487857.db2.gz WDLPWKUSZWBRPP-HDICACEKSA-N 2 2 340.471 3.303 10 0 EGAELP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001690370274 1404500382 /nfs/dbraw/zinc/50/03/82/1404500382.db2.gz QFQCYTAHVZXRCP-CADBVGFASA-N 2 2 346.519 3.117 10 0 EGAELP C[C@H](CC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001690541691 1404627397 /nfs/dbraw/zinc/62/73/97/1404627397.db2.gz LUSRIHLNCVZDRA-FAEJEUNOSA-N 2 2 346.519 3.287 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001690774214 1404722937 /nfs/dbraw/zinc/72/29/37/1404722937.db2.gz FEMTUZNUSINKAL-IAGOWNOFSA-N 2 2 348.535 3.380 10 0 EGAELP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001691360704 1405213759 /nfs/dbraw/zinc/21/37/59/1405213759.db2.gz JAHKYOKRUHIOIZ-QYZOEREBSA-N 2 2 348.535 3.343 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001691695974 1405428938 /nfs/dbraw/zinc/42/89/38/1405428938.db2.gz KQZONVPBHRLDLA-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001691724370 1405448046 /nfs/dbraw/zinc/44/80/46/1405448046.db2.gz KURLJQSPMBXAIN-WMZOPIPTSA-N 2 2 347.503 3.040 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001691728246 1405452014 /nfs/dbraw/zinc/45/20/14/1405452014.db2.gz FMOHAJLQXHUAOH-SCTDSRPQSA-N 2 2 346.519 3.384 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001691728246 1405452016 /nfs/dbraw/zinc/45/20/16/1405452016.db2.gz FMOHAJLQXHUAOH-SCTDSRPQSA-N 2 2 346.519 3.384 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008286 1405726938 /nfs/dbraw/zinc/72/69/38/1405726938.db2.gz DIUXPUIEPYINIA-SJLPKXTDSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCC[NH2+]CCC(C)(C)C ZINC001692119528 1405781783 /nfs/dbraw/zinc/78/17/83/1405781783.db2.gz AVAXXCXIKLQEDZ-SJLPKXTDSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001692254544 1405881266 /nfs/dbraw/zinc/88/12/66/1405881266.db2.gz JDTCWEUGSISUBL-KRWDZBQOSA-N 2 2 340.471 3.456 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001692254544 1405881272 /nfs/dbraw/zinc/88/12/72/1405881272.db2.gz JDTCWEUGSISUBL-KRWDZBQOSA-N 2 2 340.471 3.456 10 0 EGAELP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001732308744 1428523107 /nfs/dbraw/zinc/52/31/07/1428523107.db2.gz RGHBSRFOXUWGBV-BZSNNMDCSA-N 2 2 346.519 3.043 10 0 EGAELP CCCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732430823 1428577859 /nfs/dbraw/zinc/57/78/59/1428577859.db2.gz KXQAXKHSNWDHAP-INIZCTEOSA-N 2 2 328.460 3.113 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732526461 1428646066 /nfs/dbraw/zinc/64/60/66/1428646066.db2.gz DEYVKZBOLCTMEA-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699397446 1412711890 /nfs/dbraw/zinc/71/18/90/1412711890.db2.gz QNNHDJWIGUPPJK-HZPDHXFCSA-N 2 2 334.508 3.145 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699513976 1412900785 /nfs/dbraw/zinc/90/07/85/1412900785.db2.gz AVLYRPQTECVKIS-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699513976 1412900788 /nfs/dbraw/zinc/90/07/88/1412900788.db2.gz AVLYRPQTECVKIS-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001699581212 1412937332 /nfs/dbraw/zinc/93/73/32/1412937332.db2.gz MIUQGNYSPMFGDG-GOSISDBHSA-N 2 2 342.487 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)c(C)[nH+]1 ZINC001699583454 1412940172 /nfs/dbraw/zinc/94/01/72/1412940172.db2.gz MBDBWCQPYHQRGY-KRWDZBQOSA-N 2 2 343.496 3.367 10 0 EGAELP C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]CCC1CC1 ZINC001732541878 1428691842 /nfs/dbraw/zinc/69/18/42/1428691842.db2.gz WTWRVVPVBXDEAH-IFXJQAMLSA-N 2 2 340.471 3.193 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001699672651 1413062975 /nfs/dbraw/zinc/06/29/75/1413062975.db2.gz CBCLFJJOUUCEND-MJGOQNOKSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001699672651 1413062978 /nfs/dbraw/zinc/06/29/78/1413062978.db2.gz CBCLFJJOUUCEND-MJGOQNOKSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001699796965 1413205943 /nfs/dbraw/zinc/20/59/43/1413205943.db2.gz XKGVEUUKDIDQOP-BRWVUGGUSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001699796965 1413205949 /nfs/dbraw/zinc/20/59/49/1413205949.db2.gz XKGVEUUKDIDQOP-BRWVUGGUSA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001699805338 1413219502 /nfs/dbraw/zinc/21/95/02/1413219502.db2.gz QROQZFYCRFTLKU-HZQHCPKGSA-N 2 2 344.503 3.013 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001699805338 1413219506 /nfs/dbraw/zinc/21/95/06/1413219506.db2.gz QROQZFYCRFTLKU-HZQHCPKGSA-N 2 2 344.503 3.013 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001699862588 1413297565 /nfs/dbraw/zinc/29/75/65/1413297565.db2.gz YHCBDMMSEUQUCU-HNNXBMFYSA-N 2 2 342.487 3.441 10 0 EGAELP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700159703 1413572110 /nfs/dbraw/zinc/57/21/10/1413572110.db2.gz ZUFQHOXLTVWTAM-UHFFFAOYSA-N 2 2 347.503 3.088 10 0 EGAELP CCCCCC[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001700252803 1413700210 /nfs/dbraw/zinc/70/02/10/1413700210.db2.gz XSLSYNOJIPSZSS-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CCCCCC[N@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001700252803 1413700211 /nfs/dbraw/zinc/70/02/11/1413700211.db2.gz XSLSYNOJIPSZSS-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292005 1413746193 /nfs/dbraw/zinc/74/61/93/1413746193.db2.gz HRKZLGOIYANJHK-SJLPKXTDSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292005 1413746197 /nfs/dbraw/zinc/74/61/97/1413746197.db2.gz HRKZLGOIYANJHK-SJLPKXTDSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292005 1413746199 /nfs/dbraw/zinc/74/61/99/1413746199.db2.gz HRKZLGOIYANJHK-SJLPKXTDSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292005 1413746202 /nfs/dbraw/zinc/74/62/02/1413746202.db2.gz HRKZLGOIYANJHK-SJLPKXTDSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001700476968 1414105930 /nfs/dbraw/zinc/10/59/30/1414105930.db2.gz NZLCJKNCSWRLQT-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001700476968 1414105933 /nfs/dbraw/zinc/10/59/33/1414105933.db2.gz NZLCJKNCSWRLQT-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C3C[NH+](CCCC(C)C)C3)ccn12 ZINC001700539277 1414206637 /nfs/dbraw/zinc/20/66/37/1414206637.db2.gz RYKLNIIAHLZWOR-INIZCTEOSA-N 2 2 342.487 3.129 10 0 EGAELP C[C@H](CCC[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001700677584 1414332756 /nfs/dbraw/zinc/33/27/56/1414332756.db2.gz VFCWOFVXDIATPQ-ZIAGYGMSSA-N 2 2 348.878 3.241 10 0 EGAELP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001700768977 1414446260 /nfs/dbraw/zinc/44/62/60/1414446260.db2.gz UBZGETBTIFGVCI-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001700820009 1414476546 /nfs/dbraw/zinc/47/65/46/1414476546.db2.gz WVDGIDAHAWEVHP-GDBMZVCRSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001700877818 1414532412 /nfs/dbraw/zinc/53/24/12/1414532412.db2.gz PKAONQAKEABRLM-MSOLQXFVSA-N 2 2 348.535 3.476 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001700877818 1414532413 /nfs/dbraw/zinc/53/24/13/1414532413.db2.gz PKAONQAKEABRLM-MSOLQXFVSA-N 2 2 348.535 3.476 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001707144827 1417221407 /nfs/dbraw/zinc/22/14/07/1417221407.db2.gz VCSKWDXKPCXWMW-HNAYVOBHSA-N 2 2 348.535 3.304 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001707435266 1417339592 /nfs/dbraw/zinc/33/95/92/1417339592.db2.gz FSIWHSQIFAYKGZ-MSOLQXFVSA-N 2 2 348.535 3.148 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001713264157 1417872007 /nfs/dbraw/zinc/87/20/07/1417872007.db2.gz AQSGFIKKYXPYLM-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713391977 1418003471 /nfs/dbraw/zinc/00/34/71/1418003471.db2.gz AORVMCSOLCMSAH-HOCLYGCPSA-N 2 2 328.460 3.145 10 0 EGAELP CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713391977 1418003475 /nfs/dbraw/zinc/00/34/75/1418003475.db2.gz AORVMCSOLCMSAH-HOCLYGCPSA-N 2 2 328.460 3.145 10 0 EGAELP C[C@H](F)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713434058 1418063828 /nfs/dbraw/zinc/06/38/28/1418063828.db2.gz BBMAAWDVVBDDQI-GOEBONIOSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@H](F)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713434058 1418063830 /nfs/dbraw/zinc/06/38/30/1418063830.db2.gz BBMAAWDVVBDDQI-GOEBONIOSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001713972597 1418751790 /nfs/dbraw/zinc/75/17/90/1418751790.db2.gz CMOKLGRBQDJRAK-CSNJMZFVSA-N 2 2 346.519 3.382 10 0 EGAELP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001713972597 1418751799 /nfs/dbraw/zinc/75/17/99/1418751799.db2.gz CMOKLGRBQDJRAK-CSNJMZFVSA-N 2 2 346.519 3.382 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001714158029 1418968863 /nfs/dbraw/zinc/96/88/63/1418968863.db2.gz WMYVCNJQGLKCQY-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001714158029 1418968868 /nfs/dbraw/zinc/96/88/68/1418968868.db2.gz WMYVCNJQGLKCQY-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001733200501 1429304783 /nfs/dbraw/zinc/30/47/83/1429304783.db2.gz QDWOJUONBAIYFY-IAGOWNOFSA-N 2 2 334.508 3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001714288920 1419067433 /nfs/dbraw/zinc/06/74/33/1419067433.db2.gz RMTVFYGEZDEDOT-INIZCTEOSA-N 2 2 348.535 3.161 10 0 EGAELP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443252 1419175316 /nfs/dbraw/zinc/17/53/16/1419175316.db2.gz YJDVJSLTALBAIB-MOPGFXCFSA-N 2 2 346.519 3.359 10 0 EGAELP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443252 1419175318 /nfs/dbraw/zinc/17/53/18/1419175318.db2.gz YJDVJSLTALBAIB-MOPGFXCFSA-N 2 2 346.519 3.359 10 0 EGAELP CC[C@H](F)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001714825010 1419535064 /nfs/dbraw/zinc/53/50/64/1419535064.db2.gz QKNCRHJSRJLYQY-HNNXBMFYSA-N 2 2 334.439 3.141 10 0 EGAELP CC[C@H](F)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001714825010 1419535065 /nfs/dbraw/zinc/53/50/65/1419535065.db2.gz QKNCRHJSRJLYQY-HNNXBMFYSA-N 2 2 334.439 3.141 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895517 1419635997 /nfs/dbraw/zinc/63/59/97/1419635997.db2.gz KSFUBADEZGFABF-JTHGQSKGSA-N 2 2 346.519 3.063 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895517 1419636000 /nfs/dbraw/zinc/63/60/00/1419636000.db2.gz KSFUBADEZGFABF-JTHGQSKGSA-N 2 2 346.519 3.063 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)CC(C)C)c(C)[nH+]1 ZINC001714920877 1419673106 /nfs/dbraw/zinc/67/31/06/1419673106.db2.gz GOENOSFATULIHE-YOEHRIQHSA-N 2 2 337.483 3.489 10 0 EGAELP O=C(NCc1ccc(C[NH2+]CCC2CC2)cc1)c1cccc2[nH+]ccn21 ZINC001715195202 1419926671 /nfs/dbraw/zinc/92/66/71/1419926671.db2.gz DDGHFWLLSZJTSY-UHFFFAOYSA-N 2 2 348.450 3.154 10 0 EGAELP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)c1cccc2[nH+]ccn21 ZINC001715303882 1420012039 /nfs/dbraw/zinc/01/20/39/1420012039.db2.gz OVNWACQFLPSPRL-UHFFFAOYSA-N 2 2 340.471 3.157 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715389319 1420086330 /nfs/dbraw/zinc/08/63/30/1420086330.db2.gz YRVFFHJCTMJAGC-PBHICJAKSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001715420123 1420113194 /nfs/dbraw/zinc/11/31/94/1420113194.db2.gz VLNAXIMCFOANIM-HOTGVXAUSA-N 2 2 342.487 3.211 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001715466672 1420146047 /nfs/dbraw/zinc/14/60/47/1420146047.db2.gz XGUHPUHHZJDTPV-DOTOQJQBSA-N 2 2 348.535 3.304 10 0 EGAELP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001715829662 1420359794 /nfs/dbraw/zinc/35/97/94/1420359794.db2.gz XHPSZZPSOUXHCW-SFAKSCPVSA-N 2 2 346.862 3.019 10 0 EGAELP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001715829662 1420359798 /nfs/dbraw/zinc/35/97/98/1420359798.db2.gz XHPSZZPSOUXHCW-SFAKSCPVSA-N 2 2 346.862 3.019 10 0 EGAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC001715880549 1420381003 /nfs/dbraw/zinc/38/10/03/1420381003.db2.gz WHNMHBMQCQCAOJ-DWTRPJMMSA-N 2 2 348.450 3.129 10 0 EGAELP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001716404703 1420637733 /nfs/dbraw/zinc/63/77/33/1420637733.db2.gz XFWDPFSEFCPNQS-OAHLLOKOSA-N 2 2 348.450 3.120 10 0 EGAELP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001733271935 1429434087 /nfs/dbraw/zinc/43/40/87/1429434087.db2.gz BXNSMRQODLUTKC-WELJNPPOSA-N 2 2 344.503 3.056 10 0 EGAELP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001733271935 1429434090 /nfs/dbraw/zinc/43/40/90/1429434090.db2.gz BXNSMRQODLUTKC-WELJNPPOSA-N 2 2 344.503 3.056 10 0 EGAELP CC[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001716575211 1420765319 /nfs/dbraw/zinc/76/53/19/1420765319.db2.gz JLECTYALBFCCKY-MRXNPFEDSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001716763417 1420910266 /nfs/dbraw/zinc/91/02/66/1420910266.db2.gz HFMGIIUIEVMCEZ-IEBWSBKVSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716886979 1421010372 /nfs/dbraw/zinc/01/03/72/1421010372.db2.gz VSYIMKRNVKLCOE-AWEZNQCLSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001716985417 1421061566 /nfs/dbraw/zinc/06/15/66/1421061566.db2.gz ZSFNUJVPSUAIRH-RDJZCZTQSA-N 2 2 342.487 3.297 10 0 EGAELP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001717114554 1421118574 /nfs/dbraw/zinc/11/85/74/1421118574.db2.gz CJENBYKPUSVNTM-CVEARBPZSA-N 2 2 328.460 3.211 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001717129141 1421130227 /nfs/dbraw/zinc/13/02/27/1421130227.db2.gz ZZBRXJBSKBFRQL-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001717129141 1421130229 /nfs/dbraw/zinc/13/02/29/1421130229.db2.gz ZZBRXJBSKBFRQL-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717240994 1421209267 /nfs/dbraw/zinc/20/92/67/1421209267.db2.gz SLDYEXGGEXSXGQ-ADKAHSJRSA-N 2 2 346.519 3.241 10 0 EGAELP CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717455664 1421385175 /nfs/dbraw/zinc/38/51/75/1421385175.db2.gz VQXVBBDHXPHWLC-UHFFFAOYSA-N 2 2 342.487 3.360 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001733296357 1429478613 /nfs/dbraw/zinc/47/86/13/1429478613.db2.gz GWDGGPDRKDFEGM-FQEVSTJZSA-N 2 2 346.519 3.192 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001733296357 1429478617 /nfs/dbraw/zinc/47/86/17/1429478617.db2.gz GWDGGPDRKDFEGM-FQEVSTJZSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC001717517254 1421454627 /nfs/dbraw/zinc/45/46/27/1421454627.db2.gz GAYKRNGXLGRWHW-PKOBYXMFSA-N 2 2 342.487 3.107 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CCCC1 ZINC001717517169 1421454647 /nfs/dbraw/zinc/45/46/47/1421454647.db2.gz XBUIKPZUWVAYNK-KRWDZBQOSA-N 2 2 348.535 3.340 10 0 EGAELP CCCC[C@H](C[NH2+]CC=C(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717530050 1421466573 /nfs/dbraw/zinc/46/65/73/1421466573.db2.gz HKCKBGCLJRRZOC-MRXNPFEDSA-N 2 2 328.460 3.407 10 0 EGAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001717745317 1421608321 /nfs/dbraw/zinc/60/83/21/1421608321.db2.gz SYEAZCZNFNZJIK-KBPBESRZSA-N 2 2 348.516 3.149 10 0 EGAELP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001717878365 1421683860 /nfs/dbraw/zinc/68/38/60/1421683860.db2.gz WQIZLIKHDXVDLM-SJLPKXTDSA-N 2 2 340.471 3.161 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C)n1cc[nH+]c1 ZINC001717964009 1421735241 /nfs/dbraw/zinc/73/52/41/1421735241.db2.gz YJIAPAABTXZPQT-DLBZAZTESA-N 2 2 334.508 3.001 10 0 EGAELP CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCCC(C)C ZINC001723371762 1424374380 /nfs/dbraw/zinc/37/43/80/1424374380.db2.gz NYOZLLCRUKHYJF-QZTJIDSGSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)c1ccc(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001723815178 1424574537 /nfs/dbraw/zinc/57/45/37/1424574537.db2.gz WVIFAUOZWQCTCF-UHFFFAOYSA-N 2 2 345.531 3.185 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001725003409 1425414873 /nfs/dbraw/zinc/41/48/73/1425414873.db2.gz PELNMULGWYEOER-SJORKVTESA-N 2 2 342.487 3.353 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001725003409 1425414874 /nfs/dbraw/zinc/41/48/74/1425414874.db2.gz PELNMULGWYEOER-SJORKVTESA-N 2 2 342.487 3.353 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1CC(C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001725067192 1425508360 /nfs/dbraw/zinc/50/83/60/1425508360.db2.gz QGIDVGZTLHJWQD-ACBHZAAOSA-N 2 2 346.519 3.145 10 0 EGAELP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001725231514 1425805245 /nfs/dbraw/zinc/80/52/45/1425805245.db2.gz BFOZPHAUJIYPDJ-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725236505 1425824783 /nfs/dbraw/zinc/82/47/83/1425824783.db2.gz KRJRPLUPTMIPLE-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725236505 1425824791 /nfs/dbraw/zinc/82/47/91/1425824791.db2.gz KRJRPLUPTMIPLE-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725236505 1425824799 /nfs/dbraw/zinc/82/47/99/1425824799.db2.gz KRJRPLUPTMIPLE-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725236505 1425824814 /nfs/dbraw/zinc/82/48/14/1425824814.db2.gz KRJRPLUPTMIPLE-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCCCCC1 ZINC001725445052 1426107276 /nfs/dbraw/zinc/10/72/76/1426107276.db2.gz ISHQDDKJGNTZTR-GOSISDBHSA-N 2 2 334.508 3.043 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731416759 1427388280 /nfs/dbraw/zinc/38/82/80/1427388280.db2.gz NJFTVJVVKJEUFK-IAGOWNOFSA-N 2 2 342.487 3.164 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731416759 1427388281 /nfs/dbraw/zinc/38/82/81/1427388281.db2.gz NJFTVJVVKJEUFK-IAGOWNOFSA-N 2 2 342.487 3.164 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CC3CCC(C)CC3)ccn12 ZINC001731591511 1427633137 /nfs/dbraw/zinc/63/31/37/1427633137.db2.gz GLXZYTQQSKIQLW-CKDBGZEDSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001731597967 1427640754 /nfs/dbraw/zinc/64/07/54/1427640754.db2.gz FUBQAAIABQCOOT-AEFFLSMTSA-N 2 2 334.508 3.145 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603547 1429812210 /nfs/dbraw/zinc/81/22/10/1429812210.db2.gz ZCVVWYBGFCCEGO-MOPGFXCFSA-N 2 2 340.471 3.432 10 0 EGAELP CCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603547 1429812214 /nfs/dbraw/zinc/81/22/14/1429812214.db2.gz ZCVVWYBGFCCEGO-MOPGFXCFSA-N 2 2 340.471 3.432 10 0 EGAELP CCC(CC)C[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001733695433 1429912770 /nfs/dbraw/zinc/91/27/70/1429912770.db2.gz CWXPKKYMOHWCKA-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@H](CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1)n1cc[nH+]c1 ZINC001733724250 1429948710 /nfs/dbraw/zinc/94/87/10/1429948710.db2.gz GVUFRQNORZAKAA-MRXNPFEDSA-N 2 2 334.508 3.289 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3CC(C[NH2+]CCCC(C)C)C3)ccn12 ZINC001733949285 1437761754 /nfs/dbraw/zinc/76/17/54/1437761754.db2.gz UEGPPXZQGDDLCV-UHFFFAOYSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CCCC1CCC1 ZINC001733980189 1437777666 /nfs/dbraw/zinc/77/76/66/1437777666.db2.gz CBCIACQMCHOIMZ-HUUCEWRRSA-N 2 2 328.460 3.011 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001733984264 1437780661 /nfs/dbraw/zinc/78/06/61/1437780661.db2.gz QUIUJYGQLGTJAS-KGLIPLIRSA-N 2 2 331.485 3.365 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151207 1437919013 /nfs/dbraw/zinc/91/90/13/1437919013.db2.gz ZDTLMXFKPYDJHW-SEDCNLEPSA-N 2 2 332.492 3.017 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151207 1437919015 /nfs/dbraw/zinc/91/90/15/1437919015.db2.gz ZDTLMXFKPYDJHW-SEDCNLEPSA-N 2 2 332.492 3.017 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001734256765 1437972023 /nfs/dbraw/zinc/97/20/23/1437972023.db2.gz NNLYXGCYBUUCFX-IRXDYDNUSA-N 2 2 342.487 3.205 10 0 EGAELP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001734268667 1437989829 /nfs/dbraw/zinc/98/98/29/1437989829.db2.gz XCKBVQVXJMMVML-HNNXBMFYSA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001734268667 1437989835 /nfs/dbraw/zinc/98/98/35/1437989835.db2.gz XCKBVQVXJMMVML-HNNXBMFYSA-N 2 2 342.487 3.225 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001734562557 1438159613 /nfs/dbraw/zinc/15/96/13/1438159613.db2.gz CCNAQVHQBNRXFO-WMZOPIPTSA-N 2 2 348.535 3.002 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001734565509 1438161562 /nfs/dbraw/zinc/16/15/62/1438161562.db2.gz YNKZRQNIWWMMGL-SJLPKXTDSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]Cc1ccsc1)NC(=O)CCCn1cc[nH+]c1 ZINC001734576806 1438169757 /nfs/dbraw/zinc/16/97/57/1438169757.db2.gz YYOVNXMGALNWEF-MRXNPFEDSA-N 2 2 348.516 3.046 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368098957 168310884 /nfs/dbraw/zinc/31/08/84/168310884.db2.gz DHWMGVLWYUSGFW-FXAWDEMLSA-N 2 2 348.450 3.244 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368098957 168310885 /nfs/dbraw/zinc/31/08/85/168310885.db2.gz DHWMGVLWYUSGFW-FXAWDEMLSA-N 2 2 348.450 3.244 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCC ZINC000368103798 168312029 /nfs/dbraw/zinc/31/20/29/168312029.db2.gz YSKQRMMNSHPTQH-ZFWWWQNUSA-N 2 2 329.444 3.415 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCC ZINC000368103798 168312031 /nfs/dbraw/zinc/31/20/31/168312031.db2.gz YSKQRMMNSHPTQH-ZFWWWQNUSA-N 2 2 329.444 3.415 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000230047372 201043987 /nfs/dbraw/zinc/04/39/87/201043987.db2.gz NGAABMPDSIIZBZ-SLEUVZQESA-N 2 2 327.241 3.147 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000230047372 201043990 /nfs/dbraw/zinc/04/39/90/201043990.db2.gz NGAABMPDSIIZBZ-SLEUVZQESA-N 2 2 327.241 3.147 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808454 201228606 /nfs/dbraw/zinc/22/86/06/201228606.db2.gz NEYFTYFTLYRYLL-MAUKXSAKSA-N 2 2 340.496 3.396 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808454 201228610 /nfs/dbraw/zinc/22/86/10/201228610.db2.gz NEYFTYFTLYRYLL-MAUKXSAKSA-N 2 2 340.496 3.396 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000269398807 201232526 /nfs/dbraw/zinc/23/25/26/201232526.db2.gz YQYQYQRIGNOGNR-ALOPSCKCSA-N 2 2 344.890 3.359 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000269398807 201232529 /nfs/dbraw/zinc/23/25/29/201232529.db2.gz YQYQYQRIGNOGNR-ALOPSCKCSA-N 2 2 344.890 3.359 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000247099066 243376290 /nfs/dbraw/zinc/37/62/90/243376290.db2.gz IDXBUGZDGJIXLM-NVXWUHKLSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000247099066 243376298 /nfs/dbraw/zinc/37/62/98/243376298.db2.gz IDXBUGZDGJIXLM-NVXWUHKLSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000105896421 204178313 /nfs/dbraw/zinc/17/83/13/204178313.db2.gz SWFNOBMZXQTUQK-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000105896421 204178317 /nfs/dbraw/zinc/17/83/17/204178317.db2.gz SWFNOBMZXQTUQK-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000175252153 207109267 /nfs/dbraw/zinc/10/92/67/207109267.db2.gz XXCWLCQSNADXSU-ZIAGYGMSSA-N 2 2 332.473 3.180 10 0 EGAELP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000175252153 207109272 /nfs/dbraw/zinc/10/92/72/207109272.db2.gz XXCWLCQSNADXSU-ZIAGYGMSSA-N 2 2 332.473 3.180 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1C ZINC000177007943 207282486 /nfs/dbraw/zinc/28/24/86/207282486.db2.gz ZZWFUVYNCQFHFS-ZBFHGGJFSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@H+]1C ZINC000177007943 207282489 /nfs/dbraw/zinc/28/24/89/207282489.db2.gz ZZWFUVYNCQFHFS-ZBFHGGJFSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007943 207282493 /nfs/dbraw/zinc/28/24/93/207282493.db2.gz ZZWFUVYNCQFHFS-ZBFHGGJFSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007943 207282496 /nfs/dbraw/zinc/28/24/96/207282496.db2.gz ZZWFUVYNCQFHFS-ZBFHGGJFSA-N 2 2 335.517 3.375 10 0 EGAELP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245623319 285162500 /nfs/dbraw/zinc/16/25/00/285162500.db2.gz XJUKJFRVKWGJMV-JDFRZJQESA-N 2 2 328.859 3.487 10 0 EGAELP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245623319 285162507 /nfs/dbraw/zinc/16/25/07/285162507.db2.gz XJUKJFRVKWGJMV-JDFRZJQESA-N 2 2 328.859 3.487 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)CCc3ccccc3F)CCC[NH+]2C)cn1 ZINC000328655040 258018632 /nfs/dbraw/zinc/01/86/32/258018632.db2.gz XZRFKQBMQDCKKY-FXAWDEMLSA-N 2 2 344.478 3.117 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCc3ccccc3F)CCC[NH+]2C)cn1 ZINC000328655040 258018633 /nfs/dbraw/zinc/01/86/33/258018633.db2.gz XZRFKQBMQDCKKY-FXAWDEMLSA-N 2 2 344.478 3.117 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3ccccc3F)CCC[N@@H+]2C)cn1 ZINC000328655040 258018634 /nfs/dbraw/zinc/01/86/34/258018634.db2.gz XZRFKQBMQDCKKY-FXAWDEMLSA-N 2 2 344.478 3.117 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3ccccc3F)CCC[N@H+]2C)cn1 ZINC000328655040 258018635 /nfs/dbraw/zinc/01/86/35/258018635.db2.gz XZRFKQBMQDCKKY-FXAWDEMLSA-N 2 2 344.478 3.117 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000338011445 141073090 /nfs/dbraw/zinc/07/30/90/141073090.db2.gz KENNMGBPERFLNZ-GOSISDBHSA-N 2 2 343.862 3.348 10 0 EGAELP CSc1ccc(OCC[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000342820707 141151307 /nfs/dbraw/zinc/15/13/07/141151307.db2.gz AAHKZMDOVQRRBS-UHFFFAOYSA-N 2 2 343.496 3.313 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000173529322 144044423 /nfs/dbraw/zinc/04/44/23/144044423.db2.gz VRKGQAACQVROAA-IEBWSBKVSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000173529322 144044425 /nfs/dbraw/zinc/04/44/25/144044425.db2.gz VRKGQAACQVROAA-IEBWSBKVSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529322 144044427 /nfs/dbraw/zinc/04/44/27/144044427.db2.gz VRKGQAACQVROAA-IEBWSBKVSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529322 144044429 /nfs/dbraw/zinc/04/44/29/144044429.db2.gz VRKGQAACQVROAA-IEBWSBKVSA-N 2 2 345.531 3.228 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269076 144155791 /nfs/dbraw/zinc/15/57/91/144155791.db2.gz ZDBCAGRFPYTNSU-CJNGLKHVSA-N 2 2 333.501 3.467 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269076 144155793 /nfs/dbraw/zinc/15/57/93/144155793.db2.gz ZDBCAGRFPYTNSU-CJNGLKHVSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269076 144155795 /nfs/dbraw/zinc/15/57/95/144155795.db2.gz ZDBCAGRFPYTNSU-CJNGLKHVSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269076 144155797 /nfs/dbraw/zinc/15/57/97/144155797.db2.gz ZDBCAGRFPYTNSU-CJNGLKHVSA-N 2 2 333.501 3.467 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351768248 144303761 /nfs/dbraw/zinc/30/37/61/144303761.db2.gz WRJBWGPMYWGPDH-KSSFIOAISA-N 2 2 329.444 3.419 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C12CCOCC2 ZINC000186294287 286283569 /nfs/dbraw/zinc/28/35/69/286283569.db2.gz TTYNGRNZJGRPGR-XUVXKRRUSA-N 2 2 346.515 3.162 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cscn2)CC1 ZINC000120228536 152260297 /nfs/dbraw/zinc/26/02/97/152260297.db2.gz ZNAVZXLURLSMNA-UHFFFAOYSA-N 2 2 344.528 3.307 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000189207367 153057256 /nfs/dbraw/zinc/05/72/56/153057256.db2.gz DKWQMLDMSZILQT-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000189464004 153071732 /nfs/dbraw/zinc/07/17/32/153071732.db2.gz MUTGFHZKLRBGIA-FQEVSTJZSA-N 2 2 337.467 3.468 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000190458099 153143508 /nfs/dbraw/zinc/14/35/08/153143508.db2.gz QHDIGEBQRYPCAW-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000190458099 153143513 /nfs/dbraw/zinc/14/35/13/153143513.db2.gz QHDIGEBQRYPCAW-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000190458099 153143517 /nfs/dbraw/zinc/14/35/17/153143517.db2.gz QHDIGEBQRYPCAW-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000190458099 153143520 /nfs/dbraw/zinc/14/35/20/153143520.db2.gz QHDIGEBQRYPCAW-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000191922609 153231044 /nfs/dbraw/zinc/23/10/44/153231044.db2.gz DUAGLLATKDOGHE-UHFFFAOYSA-N 2 2 348.450 3.209 10 0 EGAELP CCc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1Cl ZINC000193650423 153298619 /nfs/dbraw/zinc/29/86/19/153298619.db2.gz SBZIOGNGOOGBFZ-GASCZTMLSA-N 2 2 346.858 3.002 10 0 EGAELP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1Cl ZINC000193650423 153298624 /nfs/dbraw/zinc/29/86/24/153298624.db2.gz SBZIOGNGOOGBFZ-GASCZTMLSA-N 2 2 346.858 3.002 10 0 EGAELP CCc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2cc1Cl ZINC000193650423 153298628 /nfs/dbraw/zinc/29/86/28/153298628.db2.gz SBZIOGNGOOGBFZ-GASCZTMLSA-N 2 2 346.858 3.002 10 0 EGAELP CCc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2cc1Cl ZINC000193650423 153298633 /nfs/dbraw/zinc/29/86/33/153298633.db2.gz SBZIOGNGOOGBFZ-GASCZTMLSA-N 2 2 346.858 3.002 10 0 EGAELP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(C2CCCC2)c1 ZINC000337387126 154326733 /nfs/dbraw/zinc/32/67/33/154326733.db2.gz IJIWCGQUKAPCGG-HNNXBMFYSA-N 2 2 327.476 3.424 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000340108834 155100388 /nfs/dbraw/zinc/10/03/88/155100388.db2.gz LENTUODBUSPLIG-UHFFFAOYSA-N 2 2 333.476 3.024 10 0 EGAELP CC[N@H+](Cc1ccno1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365505034 157149509 /nfs/dbraw/zinc/14/95/09/157149509.db2.gz AEKDAFJPCYYKFK-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP CC[N@@H+](Cc1ccno1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365505034 157149512 /nfs/dbraw/zinc/14/95/12/157149512.db2.gz AEKDAFJPCYYKFK-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000372404238 157320572 /nfs/dbraw/zinc/32/05/72/157320572.db2.gz KLFMMMMWELTHNT-CQSZACIVSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000372404238 157320574 /nfs/dbraw/zinc/32/05/74/157320574.db2.gz KLFMMMMWELTHNT-CQSZACIVSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000372431299 157329832 /nfs/dbraw/zinc/32/98/32/157329832.db2.gz LLZCKCUWJWGJQT-PBHICJAKSA-N 2 2 348.535 3.121 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000372431299 157329833 /nfs/dbraw/zinc/32/98/33/157329833.db2.gz LLZCKCUWJWGJQT-PBHICJAKSA-N 2 2 348.535 3.121 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093693968 162022727 /nfs/dbraw/zinc/02/27/27/162022727.db2.gz CAVGRWQORBQGMC-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093693968 162022730 /nfs/dbraw/zinc/02/27/30/162022730.db2.gz CAVGRWQORBQGMC-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248557346 163013803 /nfs/dbraw/zinc/01/38/03/163013803.db2.gz LKLQAEIURMKZSY-WMLDXEAASA-N 2 2 337.826 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248557346 163013806 /nfs/dbraw/zinc/01/38/06/163013806.db2.gz LKLQAEIURMKZSY-WMLDXEAASA-N 2 2 337.826 3.182 10 0 EGAELP C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000248564517 163015407 /nfs/dbraw/zinc/01/54/07/163015407.db2.gz OGGUPHAYAGJDGV-SUMWQHHRSA-N 2 2 333.382 3.317 10 0 EGAELP C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000248564517 163015409 /nfs/dbraw/zinc/01/54/09/163015409.db2.gz OGGUPHAYAGJDGV-SUMWQHHRSA-N 2 2 333.382 3.317 10 0 EGAELP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000248585188 163017453 /nfs/dbraw/zinc/01/74/53/163017453.db2.gz XIBMSTOLRDDUDM-OAUYIBNBSA-N 2 2 337.826 3.292 10 0 EGAELP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000248585188 163017457 /nfs/dbraw/zinc/01/74/57/163017457.db2.gz XIBMSTOLRDDUDM-OAUYIBNBSA-N 2 2 337.826 3.292 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248742583 163032049 /nfs/dbraw/zinc/03/20/49/163032049.db2.gz QZYPZGXZWQDVDW-NWDGAFQWSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248742583 163032051 /nfs/dbraw/zinc/03/20/51/163032051.db2.gz QZYPZGXZWQDVDW-NWDGAFQWSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248742583 163032055 /nfs/dbraw/zinc/03/20/55/163032055.db2.gz QZYPZGXZWQDVDW-NWDGAFQWSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248742583 163032059 /nfs/dbraw/zinc/03/20/59/163032059.db2.gz QZYPZGXZWQDVDW-NWDGAFQWSA-N 2 2 333.423 3.386 10 0 EGAELP COc1cccc([C@@H]2[C@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000338634754 163299314 /nfs/dbraw/zinc/29/93/14/163299314.db2.gz ZPJURDOILAMSQQ-NHCUHLMSSA-N 2 2 343.515 3.049 10 0 EGAELP COc1cccc([C@@H]2[C@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000338634754 163299316 /nfs/dbraw/zinc/29/93/16/163299316.db2.gz ZPJURDOILAMSQQ-NHCUHLMSSA-N 2 2 343.515 3.049 10 0 EGAELP O[C@H](CCc1ccccc1)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344376803 164166888 /nfs/dbraw/zinc/16/68/88/164166888.db2.gz MZPZGPSFXCJIDS-QGZVFWFLSA-N 2 2 327.453 3.017 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000346547746 164394566 /nfs/dbraw/zinc/39/45/66/164394566.db2.gz BDSOAVSEKXRDBD-HYVNUMGLSA-N 2 2 344.421 3.190 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000346547746 164394568 /nfs/dbraw/zinc/39/45/68/164394568.db2.gz BDSOAVSEKXRDBD-HYVNUMGLSA-N 2 2 344.421 3.190 10 0 EGAELP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572979 164399596 /nfs/dbraw/zinc/39/95/96/164399596.db2.gz YPXIQEHTZMNPFP-JXFKEZNVSA-N 2 2 342.462 3.415 10 0 EGAELP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572979 164399597 /nfs/dbraw/zinc/39/95/97/164399597.db2.gz YPXIQEHTZMNPFP-JXFKEZNVSA-N 2 2 342.462 3.415 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355261625 166149701 /nfs/dbraw/zinc/14/97/01/166149701.db2.gz DRTNZHWPBMHOHL-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355261625 166149704 /nfs/dbraw/zinc/14/97/04/166149704.db2.gz DRTNZHWPBMHOHL-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000355465011 166209768 /nfs/dbraw/zinc/20/97/68/166209768.db2.gz AOJVPXAEGPYECX-UHFFFAOYSA-N 2 2 342.487 3.066 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226357 167100953 /nfs/dbraw/zinc/10/09/53/167100953.db2.gz MJWCCDAGAZXURX-MAUKXSAKSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226357 167100956 /nfs/dbraw/zinc/10/09/56/167100956.db2.gz MJWCCDAGAZXURX-MAUKXSAKSA-N 2 2 326.431 3.362 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)ccc1F ZINC000360571396 167361114 /nfs/dbraw/zinc/36/11/14/167361114.db2.gz DYKSCKGHTOGFMD-UHFFFAOYSA-N 2 2 341.390 3.287 10 0 EGAELP COC(=O)c1ccccc1CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000365834407 168049679 /nfs/dbraw/zinc/04/96/79/168049679.db2.gz AFKWMSMSHHKOFX-UHFFFAOYSA-N 2 2 341.455 3.015 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000365834637 168050307 /nfs/dbraw/zinc/05/03/07/168050307.db2.gz RWPIRFNYGCOTGA-UHFFFAOYSA-N 2 2 349.438 3.014 10 0 EGAELP c1[nH]c2ccccc2c1C[C@H]1COCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000366928221 168158090 /nfs/dbraw/zinc/15/80/90/168158090.db2.gz RYSLIRZZVNZBSU-IBGZPJMESA-N 2 2 341.499 3.287 10 0 EGAELP c1[nH]c2ccccc2c1C[C@H]1COCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000366928221 168158093 /nfs/dbraw/zinc/15/80/93/168158093.db2.gz RYSLIRZZVNZBSU-IBGZPJMESA-N 2 2 341.499 3.287 10 0 EGAELP COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123594218 222302449 /nfs/dbraw/zinc/30/24/49/222302449.db2.gz KTZKCXJAULILKA-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123594218 222302452 /nfs/dbraw/zinc/30/24/52/222302452.db2.gz KTZKCXJAULILKA-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123594218 222302454 /nfs/dbraw/zinc/30/24/54/222302454.db2.gz KTZKCXJAULILKA-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123594218 222302456 /nfs/dbraw/zinc/30/24/56/222302456.db2.gz KTZKCXJAULILKA-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP c1ccc(NC[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)[nH+]c1 ZINC000193243991 266018731 /nfs/dbraw/zinc/01/87/31/266018731.db2.gz UQRAZJJBDGBHJP-SFHVURJKSA-N 2 2 337.467 3.383 10 0 EGAELP c1ccc(NC[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)[nH+]c1 ZINC000193243991 266018735 /nfs/dbraw/zinc/01/87/35/266018735.db2.gz UQRAZJJBDGBHJP-SFHVURJKSA-N 2 2 337.467 3.383 10 0 EGAELP CCc1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000274819064 267291902 /nfs/dbraw/zinc/29/19/02/267291902.db2.gz JKVCRQSCKNUBIY-ZBFHGGJFSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000274819064 267291904 /nfs/dbraw/zinc/29/19/04/267291904.db2.gz JKVCRQSCKNUBIY-ZBFHGGJFSA-N 2 2 330.501 3.101 10 0 EGAELP Cc1[nH+]cc(C[NH2+]CC2(CO)CC3(CCC3)C2)n1-c1ccccc1 ZINC000278564764 268040553 /nfs/dbraw/zinc/04/05/53/268040553.db2.gz CYHNXKXUYIYLBB-UHFFFAOYSA-N 2 2 325.456 3.213 10 0 EGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1nc2ccccc2n1C ZINC000180010467 274517114 /nfs/dbraw/zinc/51/71/14/274517114.db2.gz MXSPYBQGFVYZCH-AWEZNQCLSA-N 2 2 332.411 3.005 10 0 EGAELP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000352416130 274674138 /nfs/dbraw/zinc/67/41/38/274674138.db2.gz DWYBMRLYRZBIJH-FOIQADDNSA-N 2 2 339.487 3.191 10 0 EGAELP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000352416132 274674222 /nfs/dbraw/zinc/67/42/22/274674222.db2.gz DWYBMRLYRZBIJH-YWZLYKJASA-N 2 2 339.487 3.191 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC000090172239 274823172 /nfs/dbraw/zinc/82/31/72/274823172.db2.gz XBXGLZIIHYEJJI-CYBMUJFWSA-N 2 2 338.224 3.198 10 0 EGAELP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cocn2)cc1 ZINC000289668681 276374996 /nfs/dbraw/zinc/37/49/96/276374996.db2.gz DIHANDSPAXCJOF-UHFFFAOYSA-N 2 2 340.427 3.362 10 0 EGAELP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cocn2)cc1 ZINC000289668681 276374998 /nfs/dbraw/zinc/37/49/98/276374998.db2.gz DIHANDSPAXCJOF-UHFFFAOYSA-N 2 2 340.427 3.362 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701182 276380498 /nfs/dbraw/zinc/38/04/98/276380498.db2.gz IQDVYYUWGPJDGW-PKOBYXMFSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701182 276380500 /nfs/dbraw/zinc/38/05/00/276380500.db2.gz IQDVYYUWGPJDGW-PKOBYXMFSA-N 2 2 338.499 3.148 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481979 277043875 /nfs/dbraw/zinc/04/38/75/277043875.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 3 2 330.520 3.273 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481979 277043876 /nfs/dbraw/zinc/04/38/76/277043876.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481979 277043877 /nfs/dbraw/zinc/04/38/77/277043877.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481979 277043878 /nfs/dbraw/zinc/04/38/78/277043878.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 3 2 330.520 3.273 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123981256 281198901 /nfs/dbraw/zinc/19/89/01/281198901.db2.gz MVLYXGRGFOKNNY-IAGOWNOFSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123981256 281198904 /nfs/dbraw/zinc/19/89/04/281198904.db2.gz MVLYXGRGFOKNNY-IAGOWNOFSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123981256 281198907 /nfs/dbraw/zinc/19/89/07/281198907.db2.gz MVLYXGRGFOKNNY-IAGOWNOFSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123981256 281198909 /nfs/dbraw/zinc/19/89/09/281198909.db2.gz MVLYXGRGFOKNNY-IAGOWNOFSA-N 2 2 331.504 3.471 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000352105783 281819996 /nfs/dbraw/zinc/81/99/96/281819996.db2.gz VRXXWMNWDNJUMN-RTBURBONSA-N 2 2 337.458 3.032 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000369587336 289207232 /nfs/dbraw/zinc/20/72/32/289207232.db2.gz SNJVFIMWHQLVPY-AQNXPRMDSA-N 2 2 340.515 3.209 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCCO2 ZINC000119922726 301909724 /nfs/dbraw/zinc/90/97/24/301909724.db2.gz BWAVUKGFLGSVGU-ZHALLVOQSA-N 2 2 332.488 3.298 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000414125113 309062365 /nfs/dbraw/zinc/06/23/65/309062365.db2.gz MCQGBJQLCHMIEK-INIZCTEOSA-N 2 2 334.261 3.466 10 0 EGAELP Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000414562960 309089648 /nfs/dbraw/zinc/08/96/48/309089648.db2.gz BPKGYKXHUZMSID-GOSISDBHSA-N 2 2 336.414 3.380 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)cc2Br)c1 ZINC000313251312 308765006 /nfs/dbraw/zinc/76/50/06/308765006.db2.gz LKDRLVQSOMWARR-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cs2)cc1 ZINC000414947571 309110780 /nfs/dbraw/zinc/11/07/80/309110780.db2.gz WTKLXUWWCYBBHB-YOEHRIQHSA-N 2 2 331.485 3.118 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cs2)cc1 ZINC000414947569 309110827 /nfs/dbraw/zinc/11/08/27/309110827.db2.gz WTKLXUWWCYBBHB-RHSMWYFYSA-N 2 2 331.485 3.118 10 0 EGAELP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000455033178 310341266 /nfs/dbraw/zinc/34/12/66/310341266.db2.gz KTBUZBCSMGTQPD-UHFFFAOYSA-N 2 2 332.492 3.176 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000415957286 309151220 /nfs/dbraw/zinc/15/12/20/309151220.db2.gz PBHDYAZCCXDXMO-MAUKXSAKSA-N 2 2 341.459 3.108 10 0 EGAELP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422560623 309361666 /nfs/dbraw/zinc/36/16/66/309361666.db2.gz HDDHLZXHSQREMP-UHFFFAOYSA-N 2 2 338.499 3.498 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422701581 309363790 /nfs/dbraw/zinc/36/37/90/309363790.db2.gz DIUXRKFQROTQFX-LLVKDONJSA-N 2 2 335.835 3.406 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422710939 309364206 /nfs/dbraw/zinc/36/42/06/309364206.db2.gz LYKONIGCZWVLME-OXJNMPFZSA-N 2 2 332.488 3.002 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422710938 309364209 /nfs/dbraw/zinc/36/42/09/309364209.db2.gz LYKONIGCZWVLME-JXFKEZNVSA-N 2 2 332.488 3.002 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422729812 309365529 /nfs/dbraw/zinc/36/55/29/309365529.db2.gz COUHOEUOCWYNPS-HKBOAZHASA-N 2 2 340.467 3.466 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422765941 309367101 /nfs/dbraw/zinc/36/71/01/309367101.db2.gz WMMOKWNHZVPKAS-AZUAARDMSA-N 2 2 344.430 3.296 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422848902 309371954 /nfs/dbraw/zinc/37/19/54/309371954.db2.gz BHQHDSQGNSNGFA-QRQLOZEOSA-N 2 2 332.488 3.031 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422860615 309372356 /nfs/dbraw/zinc/37/23/56/309372356.db2.gz IJUZATQLJUBJFA-YQVWRLOYSA-N 2 2 332.488 3.031 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC[C@@H]2CCOC2)c1 ZINC000422858578 309372373 /nfs/dbraw/zinc/37/23/73/309372373.db2.gz GNJIWNPFYNIHKD-HZPDHXFCSA-N 2 2 341.455 3.069 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422860610 309372458 /nfs/dbraw/zinc/37/24/58/309372458.db2.gz IJUZATQLJUBJFA-AOIWGVFYSA-N 2 2 332.488 3.031 10 0 EGAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(Cl)cccc1Cl ZINC000422879581 309373736 /nfs/dbraw/zinc/37/37/36/309373736.db2.gz MPVOHYZPNIPUHB-JGFGOQIWSA-N 2 2 343.298 3.454 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422888866 309374461 /nfs/dbraw/zinc/37/44/61/309374461.db2.gz DUIIYRXSGDWKCQ-LIRRHRJNSA-N 2 2 341.430 3.166 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422895843 309374829 /nfs/dbraw/zinc/37/48/29/309374829.db2.gz WYMLWRLXGPNYGU-PKOBYXMFSA-N 2 2 345.512 3.394 10 0 EGAELP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907522 309375537 /nfs/dbraw/zinc/37/55/37/309375537.db2.gz LLWCPRGRUZKLTC-OSYNSWQESA-N 3 2 327.516 3.302 10 0 EGAELP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907522 309375538 /nfs/dbraw/zinc/37/55/38/309375538.db2.gz LLWCPRGRUZKLTC-OSYNSWQESA-N 3 2 327.516 3.302 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422964572 309378773 /nfs/dbraw/zinc/37/87/73/309378773.db2.gz IVGQWDAHKMQWMV-VIZZQPHQSA-N 2 2 343.471 3.486 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422990504 309379786 /nfs/dbraw/zinc/37/97/86/309379786.db2.gz NQQVSFATODHRAL-LMCOJAPRSA-N 2 2 332.488 3.282 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423094678 309385829 /nfs/dbraw/zinc/38/58/29/309385829.db2.gz CPDZEXPLHVFOAL-YYWHXJBOSA-N 2 2 346.515 3.267 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125896 309387160 /nfs/dbraw/zinc/38/71/60/309387160.db2.gz IIIWNMCXWNKWJE-KXBFYZLASA-N 2 2 328.431 3.349 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161558 309388938 /nfs/dbraw/zinc/38/89/38/309388938.db2.gz JCUZMQZWIVNRKL-VQTJNVASSA-N 2 2 332.488 3.285 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423189603 309389725 /nfs/dbraw/zinc/38/97/25/309389725.db2.gz MXKSVRZZMBQPIL-GXTWGEPZSA-N 2 2 325.250 3.004 10 0 EGAELP CC(C)Oc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423232525 309391545 /nfs/dbraw/zinc/39/15/45/309391545.db2.gz MYGZGUMOUSQCMX-INIZCTEOSA-N 2 2 340.471 3.452 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423232715 309391670 /nfs/dbraw/zinc/39/16/70/309391670.db2.gz CQZBUCMUCKXXDA-VBKZILBWSA-N 3 2 326.488 3.323 10 0 EGAELP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCCO2 ZINC000423242584 309391997 /nfs/dbraw/zinc/39/19/97/309391997.db2.gz YUWHEYFVZXRMQZ-SFHVURJKSA-N 2 2 338.455 3.125 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423242515 309392038 /nfs/dbraw/zinc/39/20/38/309392038.db2.gz MCQJCYYELJCCJH-PMACEKPBSA-N 2 2 335.455 3.008 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000441384701 309870434 /nfs/dbraw/zinc/87/04/34/309870434.db2.gz NBLRFPVPSYSRGB-FUHWJXTLSA-N 2 2 342.487 3.134 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449185103 310043091 /nfs/dbraw/zinc/04/30/91/310043091.db2.gz GAFIDINVDOGXFI-BIGNPOOSSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449185103 310043092 /nfs/dbraw/zinc/04/30/92/310043092.db2.gz GAFIDINVDOGXFI-BIGNPOOSSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394326 310058376 /nfs/dbraw/zinc/05/83/76/310058376.db2.gz NQONTXDYESYMJQ-RHSMWYFYSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394326 310058377 /nfs/dbraw/zinc/05/83/77/310058377.db2.gz NQONTXDYESYMJQ-RHSMWYFYSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395956 310058708 /nfs/dbraw/zinc/05/87/08/310058708.db2.gz KJVJFTOCXUBIBZ-PBHICJAKSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395956 310058709 /nfs/dbraw/zinc/05/87/09/310058709.db2.gz KJVJFTOCXUBIBZ-PBHICJAKSA-N 2 2 344.421 3.073 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000449492001 310066539 /nfs/dbraw/zinc/06/65/39/310066539.db2.gz IHNLVNZQFORDEO-ZBFHGGJFSA-N 2 2 336.442 3.444 10 0 EGAELP C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H]1C ZINC000449967329 310096424 /nfs/dbraw/zinc/09/64/24/310096424.db2.gz UDRAXAORHHAGHY-QYZOEREBSA-N 2 2 349.563 3.125 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453051857 310254485 /nfs/dbraw/zinc/25/44/85/310254485.db2.gz BQNVAHXEXHXCFW-IEBWSBKVSA-N 2 2 334.504 3.243 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)C[NH+]1CCCC1 ZINC000453061971 310255392 /nfs/dbraw/zinc/25/53/92/310255392.db2.gz OHVOFVIEVZQMTO-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CCOCC1 ZINC000453113228 310258950 /nfs/dbraw/zinc/25/89/50/310258950.db2.gz QZKLYUKIISRAHL-PKOBYXMFSA-N 2 2 338.536 3.205 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CCOCC1 ZINC000453113228 310258951 /nfs/dbraw/zinc/25/89/51/310258951.db2.gz QZKLYUKIISRAHL-PKOBYXMFSA-N 2 2 338.536 3.205 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCS2 ZINC000453260956 310267563 /nfs/dbraw/zinc/26/75/63/310267563.db2.gz JPLMXIGGCDSHLH-AEFFLSMTSA-N 2 2 334.529 3.277 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCS2 ZINC000453260956 310267564 /nfs/dbraw/zinc/26/75/64/310267564.db2.gz JPLMXIGGCDSHLH-AEFFLSMTSA-N 2 2 334.529 3.277 10 0 EGAELP COC1([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCOCC1 ZINC000453309140 310270289 /nfs/dbraw/zinc/27/02/89/310270289.db2.gz XMMMKMKTGOGKOC-GOSISDBHSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCOCC1 ZINC000453309140 310270290 /nfs/dbraw/zinc/27/02/90/310270290.db2.gz XMMMKMKTGOGKOC-GOSISDBHSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459656667 310566603 /nfs/dbraw/zinc/56/66/03/310566603.db2.gz HDPOJWODQZYCDN-NSHDSACASA-N 2 2 340.240 3.085 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657183 312122314 /nfs/dbraw/zinc/12/23/14/312122314.db2.gz IVTTWHNGRZLFOJ-MOPGFXCFSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657183 312122316 /nfs/dbraw/zinc/12/23/16/312122316.db2.gz IVTTWHNGRZLFOJ-MOPGFXCFSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509657183 312122319 /nfs/dbraw/zinc/12/23/19/312122319.db2.gz IVTTWHNGRZLFOJ-MOPGFXCFSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657183 312122322 /nfs/dbraw/zinc/12/23/22/312122322.db2.gz IVTTWHNGRZLFOJ-MOPGFXCFSA-N 2 2 332.488 3.028 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514086733 312224074 /nfs/dbraw/zinc/22/40/74/312224074.db2.gz CMYOXOUOSLHOBO-BHIFYINESA-N 3 2 341.543 3.156 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514086733 312224077 /nfs/dbraw/zinc/22/40/77/312224077.db2.gz CMYOXOUOSLHOBO-BHIFYINESA-N 3 2 341.543 3.156 10 0 EGAELP C[C@H](CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794366 312246279 /nfs/dbraw/zinc/24/62/79/312246279.db2.gz ZSZOYPIGMSJOIT-YLJYHZDGSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794366 312246281 /nfs/dbraw/zinc/24/62/81/312246281.db2.gz ZSZOYPIGMSJOIT-YLJYHZDGSA-N 2 2 340.471 3.005 10 0 EGAELP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccnc(C)c3)CC2)c1 ZINC000527634773 312893812 /nfs/dbraw/zinc/89/38/12/312893812.db2.gz QLQXJDQZHWFJJN-UHFFFAOYSA-N 2 2 338.499 3.000 10 0 EGAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000527930044 312975521 /nfs/dbraw/zinc/97/55/21/312975521.db2.gz JUECIPGSJRDPIG-GOSISDBHSA-N 2 2 325.456 3.316 10 0 EGAELP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000528579630 313123224 /nfs/dbraw/zinc/12/32/24/313123224.db2.gz CUAHIYDHFGZSSB-FKEKPDDDSA-N 2 2 330.382 3.420 10 0 EGAELP CCC(CC)[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000536399766 314111481 /nfs/dbraw/zinc/11/14/81/314111481.db2.gz JOMUIWKLPWOTQB-QGZVFWFLSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000536607277 314129641 /nfs/dbraw/zinc/12/96/41/314129641.db2.gz CDZHSXGEGBLIDR-KSSFIOAISA-N 2 2 344.434 3.242 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000536607277 314129645 /nfs/dbraw/zinc/12/96/45/314129645.db2.gz CDZHSXGEGBLIDR-KSSFIOAISA-N 2 2 344.434 3.242 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824426 314147959 /nfs/dbraw/zinc/14/79/59/314147959.db2.gz BBXCXJFHHUOCPT-RQIDZSJNSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824426 314147963 /nfs/dbraw/zinc/14/79/63/314147963.db2.gz BBXCXJFHHUOCPT-RQIDZSJNSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824426 314147966 /nfs/dbraw/zinc/14/79/66/314147966.db2.gz BBXCXJFHHUOCPT-RQIDZSJNSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000536824426 314147969 /nfs/dbraw/zinc/14/79/69/314147969.db2.gz BBXCXJFHHUOCPT-RQIDZSJNSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140930 314364832 /nfs/dbraw/zinc/36/48/32/314364832.db2.gz BCMZMUSCSKHREF-MGPUTAFESA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140930 314364835 /nfs/dbraw/zinc/36/48/35/314364835.db2.gz BCMZMUSCSKHREF-MGPUTAFESA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000564823736 316212700 /nfs/dbraw/zinc/21/27/00/316212700.db2.gz AKXJFYCVEZGAAI-IFXJQAMLSA-N 2 2 341.430 3.166 10 0 EGAELP CC1(C)C[NH+](CC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000568189582 316738194 /nfs/dbraw/zinc/73/81/94/316738194.db2.gz NBBMNWDWCTVRAB-UHFFFAOYSA-N 2 2 329.488 3.343 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000571893456 317263678 /nfs/dbraw/zinc/26/36/78/317263678.db2.gz CEUPGLUXJDGSPG-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000571893456 317263680 /nfs/dbraw/zinc/26/36/80/317263680.db2.gz CEUPGLUXJDGSPG-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000262041119 455989219 /nfs/dbraw/zinc/98/92/19/455989219.db2.gz YNKARMSVMZFFGE-NUEKZKHPSA-N 2 2 329.271 3.240 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000580183104 325214527 /nfs/dbraw/zinc/21/45/27/325214527.db2.gz TWEJUAJYAIVKLN-JXFKEZNVSA-N 2 2 331.504 3.138 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445977 325252351 /nfs/dbraw/zinc/25/23/51/325252351.db2.gz QHQPVSHNJYJJRO-HFSMHLIXSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445977 325252355 /nfs/dbraw/zinc/25/23/55/325252355.db2.gz QHQPVSHNJYJJRO-HFSMHLIXSA-N 2 2 343.515 3.108 10 0 EGAELP C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662011 455221823 /nfs/dbraw/zinc/22/18/23/455221823.db2.gz OHPXKCCFYCAFDF-CYBMUJFWSA-N 2 2 327.350 3.492 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000183292516 455272166 /nfs/dbraw/zinc/27/21/66/455272166.db2.gz ALORNMLDGLOVKL-CHWSQXEVSA-N 2 2 347.413 3.116 10 0 EGAELP c1ccc(-c2noc(CCC[NH+]3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000066533585 453850619 /nfs/dbraw/zinc/85/06/19/453850619.db2.gz PLJLLXOVUBZWNV-UHFFFAOYSA-N 2 2 340.471 3.229 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(OC)c1 ZINC000084654485 454003669 /nfs/dbraw/zinc/00/36/69/454003669.db2.gz UBUWMTGWVXTIQH-AWEZNQCLSA-N 2 2 338.411 3.135 10 0 EGAELP CCOc1cc2c(c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)c1)O[C@@H](C)C2 ZINC000084805173 454011278 /nfs/dbraw/zinc/01/12/78/454011278.db2.gz NZFLLFZBBVHSMK-LSDHHAIUSA-N 2 2 341.455 3.272 10 0 EGAELP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000089623329 454168900 /nfs/dbraw/zinc/16/89/00/454168900.db2.gz VCNKKKUAGYXQLU-KRWDZBQOSA-N 2 2 339.483 3.275 10 0 EGAELP c1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cs1 ZINC000047969041 454425806 /nfs/dbraw/zinc/42/58/06/454425806.db2.gz WGNNALHRVIEIER-UHFFFAOYSA-N 2 2 332.473 3.106 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000091670236 454455826 /nfs/dbraw/zinc/45/58/26/454455826.db2.gz NIXZQCUQAOLPAJ-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP Cc1cccc2c1C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000623607768 460638884 /nfs/dbraw/zinc/63/88/84/460638884.db2.gz OACACGFYXHGEDB-AWEZNQCLSA-N 2 2 325.437 3.336 10 0 EGAELP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)o1 ZINC000122945620 454584854 /nfs/dbraw/zinc/58/48/54/454584854.db2.gz VWTMDSSYFHNHAL-AWEZNQCLSA-N 2 2 331.416 3.052 10 0 EGAELP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)o1 ZINC000122945620 454584856 /nfs/dbraw/zinc/58/48/56/454584856.db2.gz VWTMDSSYFHNHAL-AWEZNQCLSA-N 2 2 331.416 3.052 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123090513 454601097 /nfs/dbraw/zinc/60/10/97/454601097.db2.gz IYMSCJSQOFFCII-CRAIPNDOSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123090513 454601104 /nfs/dbraw/zinc/60/11/04/454601104.db2.gz IYMSCJSQOFFCII-CRAIPNDOSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090513 454601108 /nfs/dbraw/zinc/60/11/08/454601108.db2.gz IYMSCJSQOFFCII-CRAIPNDOSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090513 454601113 /nfs/dbraw/zinc/60/11/13/454601113.db2.gz IYMSCJSQOFFCII-CRAIPNDOSA-N 2 2 331.504 3.337 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123192072 454612617 /nfs/dbraw/zinc/61/26/17/454612617.db2.gz XTBXXSNAICDPPG-RLLQIKCJSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123192072 454612624 /nfs/dbraw/zinc/61/26/24/454612624.db2.gz XTBXXSNAICDPPG-RLLQIKCJSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123192072 454612632 /nfs/dbraw/zinc/61/26/32/454612632.db2.gz XTBXXSNAICDPPG-RLLQIKCJSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123192072 454612637 /nfs/dbraw/zinc/61/26/37/454612637.db2.gz XTBXXSNAICDPPG-RLLQIKCJSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000134992408 454621451 /nfs/dbraw/zinc/62/14/51/454621451.db2.gz ZIAMFMFCSIQVJQ-UHFFFAOYSA-N 2 2 330.472 3.312 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000105897371 454666073 /nfs/dbraw/zinc/66/60/73/454666073.db2.gz WTZNPIIOWAYAAE-IRXDYDNUSA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000105897371 454666076 /nfs/dbraw/zinc/66/60/76/454666076.db2.gz WTZNPIIOWAYAAE-IRXDYDNUSA-N 2 2 333.863 3.469 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093148144 454688876 /nfs/dbraw/zinc/68/88/76/454688876.db2.gz MBXSAAXRWCQEHP-KRWDZBQOSA-N 2 2 348.560 3.013 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093148144 454688878 /nfs/dbraw/zinc/68/88/78/454688878.db2.gz MBXSAAXRWCQEHP-KRWDZBQOSA-N 2 2 348.560 3.013 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000153263047 454775869 /nfs/dbraw/zinc/77/58/69/454775869.db2.gz NWFLQCYRHJNZNL-UONOGXRCSA-N 2 2 330.394 3.324 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324545 454839365 /nfs/dbraw/zinc/83/93/65/454839365.db2.gz JZXWXYABTNMUPM-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324545 454839369 /nfs/dbraw/zinc/83/93/69/454839369.db2.gz JZXWXYABTNMUPM-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000163353218 454842346 /nfs/dbraw/zinc/84/23/46/454842346.db2.gz HIUIAYHRDGKMDM-ZFWWWQNUSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000163353218 454842347 /nfs/dbraw/zinc/84/23/47/454842347.db2.gz HIUIAYHRDGKMDM-ZFWWWQNUSA-N 2 2 328.403 3.049 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425760 454846609 /nfs/dbraw/zinc/84/66/09/454846609.db2.gz WFCBGJMPICCKRS-WBVHZDCISA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425760 454846617 /nfs/dbraw/zinc/84/66/17/454846617.db2.gz WFCBGJMPICCKRS-WBVHZDCISA-N 2 2 342.430 3.440 10 0 EGAELP CC(C)CO[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000126398895 454890982 /nfs/dbraw/zinc/89/09/82/454890982.db2.gz ZOTHWTHDDCWDQX-ROUUACIJSA-N 2 2 331.504 3.480 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150798964 454894466 /nfs/dbraw/zinc/89/44/66/454894466.db2.gz CHSLFMFMUIDPBD-MRXNPFEDSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150798964 454894475 /nfs/dbraw/zinc/89/44/75/454894475.db2.gz CHSLFMFMUIDPBD-MRXNPFEDSA-N 2 2 341.455 3.268 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154649917 454915332 /nfs/dbraw/zinc/91/53/32/454915332.db2.gz WVORWEXIZVTGGU-HNNXBMFYSA-N 2 2 339.886 3.127 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154649917 454915336 /nfs/dbraw/zinc/91/53/36/454915336.db2.gz WVORWEXIZVTGGU-HNNXBMFYSA-N 2 2 339.886 3.127 10 0 EGAELP Cn1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C(F)(F)F)n1 ZINC000155029423 454955193 /nfs/dbraw/zinc/95/51/93/454955193.db2.gz OXYLPUCLEUPQBI-UHFFFAOYSA-N 2 2 349.360 3.257 10 0 EGAELP Cn1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C(F)(F)F)n1 ZINC000155029423 454955199 /nfs/dbraw/zinc/95/51/99/454955199.db2.gz OXYLPUCLEUPQBI-UHFFFAOYSA-N 2 2 349.360 3.257 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000151343094 454972294 /nfs/dbraw/zinc/97/22/94/454972294.db2.gz CYALQWZEDSLJHA-ZFWWWQNUSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000155612533 455022665 /nfs/dbraw/zinc/02/26/65/455022665.db2.gz HSMVKEOOWFLKNP-UHFFFAOYSA-N 2 2 327.457 3.232 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000155612533 455022670 /nfs/dbraw/zinc/02/26/70/455022670.db2.gz HSMVKEOOWFLKNP-UHFFFAOYSA-N 2 2 327.457 3.232 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000171634976 455081700 /nfs/dbraw/zinc/08/17/00/455081700.db2.gz DZTYGYPBSNTMEI-KRWDZBQOSA-N 2 2 341.455 3.364 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2C(C)=O)C1 ZINC000171634976 455081704 /nfs/dbraw/zinc/08/17/04/455081704.db2.gz DZTYGYPBSNTMEI-KRWDZBQOSA-N 2 2 341.455 3.364 10 0 EGAELP C[C@@H]1CCCN(c2cc(N3CCC[N@@H+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000172373274 455149761 /nfs/dbraw/zinc/14/97/61/455149761.db2.gz YGTKGGLLSJSHBX-QGZVFWFLSA-N 2 2 343.519 3.168 10 0 EGAELP C[C@@H]1CCCN(c2cc(N3CCC[N@H+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000172373274 455149763 /nfs/dbraw/zinc/14/97/63/455149763.db2.gz YGTKGGLLSJSHBX-QGZVFWFLSA-N 2 2 343.519 3.168 10 0 EGAELP C[NH+]1CCC(CNC(=O)CCCC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000172750654 455182558 /nfs/dbraw/zinc/18/25/58/455182558.db2.gz VBNROBJLVKPKOX-UHFFFAOYSA-N 2 2 337.552 3.269 10 0 EGAELP CCC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccn1 ZINC000180568975 455199494 /nfs/dbraw/zinc/19/94/94/455199494.db2.gz MUTWGGCNBQFHPL-CVEARBPZSA-N 2 2 340.475 3.013 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)o2)cc1 ZINC000158558062 455313343 /nfs/dbraw/zinc/31/33/43/455313343.db2.gz HUNGMBUNWZDZLI-WMZOPIPTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)o2)cc1 ZINC000158558062 455313348 /nfs/dbraw/zinc/31/33/48/455313348.db2.gz HUNGMBUNWZDZLI-WMZOPIPTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000158558062 455313349 /nfs/dbraw/zinc/31/33/49/455313349.db2.gz HUNGMBUNWZDZLI-WMZOPIPTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)o2)cc1 ZINC000158558062 455313354 /nfs/dbraw/zinc/31/33/54/455313354.db2.gz HUNGMBUNWZDZLI-WMZOPIPTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190464832 455323914 /nfs/dbraw/zinc/32/39/14/455323914.db2.gz YXPQRSAYVOOXBP-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190464832 455323919 /nfs/dbraw/zinc/32/39/19/455323919.db2.gz YXPQRSAYVOOXBP-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000190464832 455323921 /nfs/dbraw/zinc/32/39/21/455323921.db2.gz YXPQRSAYVOOXBP-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190464832 455323923 /nfs/dbraw/zinc/32/39/23/455323923.db2.gz YXPQRSAYVOOXBP-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCCC2 ZINC000181475937 455340108 /nfs/dbraw/zinc/34/01/08/455340108.db2.gz PHVGZDYAWXHVIE-ZWKOTPCHSA-N 2 2 340.471 3.485 10 0 EGAELP CCc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247016150 455544190 /nfs/dbraw/zinc/54/41/90/455544190.db2.gz KPLLMADLAHSFFU-QAPCUYQASA-N 2 2 344.528 3.143 10 0 EGAELP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247016150 455544194 /nfs/dbraw/zinc/54/41/94/455544194.db2.gz KPLLMADLAHSFFU-QAPCUYQASA-N 2 2 344.528 3.143 10 0 EGAELP C/C(=C\C(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185535968 455575061 /nfs/dbraw/zinc/57/50/61/455575061.db2.gz HPOPLIZJCHMWBN-BMRADRMJSA-N 2 2 335.536 3.045 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000248050606 455674596 /nfs/dbraw/zinc/67/45/96/455674596.db2.gz NTAZQTCKVYRAGA-VQTJNVASSA-N 2 2 346.434 3.048 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000248050606 455674602 /nfs/dbraw/zinc/67/46/02/455674602.db2.gz NTAZQTCKVYRAGA-VQTJNVASSA-N 2 2 346.434 3.048 10 0 EGAELP Brc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000252486323 455811051 /nfs/dbraw/zinc/81/10/51/455811051.db2.gz ILJLHSHKVOBISG-XBFCOCLRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000252486323 455811054 /nfs/dbraw/zinc/81/10/54/455811054.db2.gz ILJLHSHKVOBISG-XBFCOCLRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000252486323 455811058 /nfs/dbraw/zinc/81/10/58/455811058.db2.gz ILJLHSHKVOBISG-XBFCOCLRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000252486323 455811061 /nfs/dbraw/zinc/81/10/61/455811061.db2.gz ILJLHSHKVOBISG-XBFCOCLRSA-N 2 2 341.318 3.427 10 0 EGAELP Cc1cn2cc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2[nH+]1 ZINC000606569830 460698645 /nfs/dbraw/zinc/69/86/45/460698645.db2.gz ZYKIGGWCDZRJNB-UHFFFAOYSA-N 2 2 343.475 3.419 10 0 EGAELP Cc1cn2cc(NC(=O)NCCC[N@H+](C)C3CCCCC3)ccc2[nH+]1 ZINC000606569830 460698657 /nfs/dbraw/zinc/69/86/57/460698657.db2.gz ZYKIGGWCDZRJNB-UHFFFAOYSA-N 2 2 343.475 3.419 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581162 460699804 /nfs/dbraw/zinc/69/98/04/460699804.db2.gz SNJJHXCRGOCPJM-QAPCUYQASA-N 2 2 349.438 3.291 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581162 460699812 /nfs/dbraw/zinc/69/98/12/460699812.db2.gz SNJJHXCRGOCPJM-QAPCUYQASA-N 2 2 349.438 3.291 10 0 EGAELP COc1ccc(C[C@@H](C)C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000187498288 455917627 /nfs/dbraw/zinc/91/76/27/455917627.db2.gz CYNSPUQGRFEURO-OAHLLOKOSA-N 2 2 331.435 3.500 10 0 EGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280239533 455925294 /nfs/dbraw/zinc/92/52/94/455925294.db2.gz OVUPCVCNEHULEP-UHFFFAOYSA-N 2 2 332.835 3.115 10 0 EGAELP CCOc1cc(C[N@H+](CC[NH3+])CCc2ccccc2)ccc1OC ZINC000262067461 455992443 /nfs/dbraw/zinc/99/24/43/455992443.db2.gz RUEUIMGQUSHKTA-UHFFFAOYSA-N 2 2 328.456 3.097 10 0 EGAELP CCOc1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)ccc1OC ZINC000262067461 455992451 /nfs/dbraw/zinc/99/24/51/455992451.db2.gz RUEUIMGQUSHKTA-UHFFFAOYSA-N 2 2 328.456 3.097 10 0 EGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000188411181 456058218 /nfs/dbraw/zinc/05/82/18/456058218.db2.gz BYPIGFHQYXNOSO-KRWDZBQOSA-N 2 2 335.411 3.130 10 0 EGAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000188411181 456058223 /nfs/dbraw/zinc/05/82/23/456058223.db2.gz BYPIGFHQYXNOSO-KRWDZBQOSA-N 2 2 335.411 3.130 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(C)ccc1O ZINC000271169497 456153360 /nfs/dbraw/zinc/15/33/60/456153360.db2.gz DKJGAWLTBOXVMS-INIZCTEOSA-N 2 2 336.439 3.418 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc(C)ccc1O ZINC000271169497 456153366 /nfs/dbraw/zinc/15/33/66/456153366.db2.gz DKJGAWLTBOXVMS-INIZCTEOSA-N 2 2 336.439 3.418 10 0 EGAELP c1c[nH+]c([C@H](NC2CC[NH+](CC3CCCC3)CC2)c2ccncc2)[nH]1 ZINC000189097271 456225171 /nfs/dbraw/zinc/22/51/71/456225171.db2.gz MVTTZVGBOJCVMN-LJQANCHMSA-N 2 2 339.487 3.138 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]1n1cc[nH+]c1 ZINC000189123363 456233920 /nfs/dbraw/zinc/23/39/20/456233920.db2.gz BKGNFQMASFPHRR-BBRMVZONSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]1n1cc[nH+]c1 ZINC000189123363 456233927 /nfs/dbraw/zinc/23/39/27/456233927.db2.gz BKGNFQMASFPHRR-BBRMVZONSA-N 2 2 341.390 3.155 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237108085 456233936 /nfs/dbraw/zinc/23/39/36/456233936.db2.gz ZKDAOPKUILPWTN-HXUWFJFHSA-N 2 2 338.451 3.227 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237108085 456233941 /nfs/dbraw/zinc/23/39/41/456233941.db2.gz ZKDAOPKUILPWTN-HXUWFJFHSA-N 2 2 338.451 3.227 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000298346358 456431029 /nfs/dbraw/zinc/43/10/29/456431029.db2.gz BROQMIDOKSQEQQ-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000298346358 456431033 /nfs/dbraw/zinc/43/10/33/456431033.db2.gz BROQMIDOKSQEQQ-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP CN(C(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000298494351 456472138 /nfs/dbraw/zinc/47/21/38/456472138.db2.gz JRTIYZRYGNMRDS-FPOVZHCZSA-N 2 2 337.467 3.075 10 0 EGAELP CN(C(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000298494351 456472143 /nfs/dbraw/zinc/47/21/43/456472143.db2.gz JRTIYZRYGNMRDS-FPOVZHCZSA-N 2 2 337.467 3.075 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797418 462272201 /nfs/dbraw/zinc/27/22/01/462272201.db2.gz MQKCELRJCHIDFW-PKOBYXMFSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797418 462272207 /nfs/dbraw/zinc/27/22/07/462272207.db2.gz MQKCELRJCHIDFW-PKOBYXMFSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)s1 ZINC000353213333 456564891 /nfs/dbraw/zinc/56/48/91/456564891.db2.gz AHAFQQJQJKVLMX-DTWKUNHWSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)s1 ZINC000353213333 456564888 /nfs/dbraw/zinc/56/48/88/456564888.db2.gz AHAFQQJQJKVLMX-DTWKUNHWSA-N 2 2 326.263 3.442 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000343431708 456616688 /nfs/dbraw/zinc/61/66/88/456616688.db2.gz RJDNWTBMCZVHHL-UZLBHIALSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)c2)cc1 ZINC000343431708 456616694 /nfs/dbraw/zinc/61/66/94/456616694.db2.gz RJDNWTBMCZVHHL-UZLBHIALSA-N 2 2 337.467 3.287 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373944 456666695 /nfs/dbraw/zinc/66/66/95/456666695.db2.gz LKGVJPSUJPJYRB-CRAIPNDOSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373944 456666698 /nfs/dbraw/zinc/66/66/98/456666698.db2.gz LKGVJPSUJPJYRB-CRAIPNDOSA-N 2 2 329.419 3.445 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353387261 456666812 /nfs/dbraw/zinc/66/68/12/456666812.db2.gz NYUSDGZGPGPNEE-SJORKVTESA-N 2 2 347.532 3.181 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511490 456724801 /nfs/dbraw/zinc/72/48/01/456724801.db2.gz BOSZYFOUBABWIG-HJPURHCSSA-N 2 2 331.485 3.020 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511490 456724805 /nfs/dbraw/zinc/72/48/05/456724805.db2.gz BOSZYFOUBABWIG-HJPURHCSSA-N 2 2 331.485 3.020 10 0 EGAELP CCC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000341287253 456834271 /nfs/dbraw/zinc/83/42/71/456834271.db2.gz SCGULGJNJUKZHA-MSOLQXFVSA-N 2 2 340.471 3.042 10 0 EGAELP c1cn(-c2ccc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)cc2)c[nH+]1 ZINC000344980280 456886281 /nfs/dbraw/zinc/88/62/81/456886281.db2.gz HSBVROOBJPQCEE-KRWDZBQOSA-N 2 2 343.496 3.407 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844759 456932879 /nfs/dbraw/zinc/93/28/79/456932879.db2.gz VSVWYBSRDLVHRV-UXHICEINSA-N 2 2 332.463 3.462 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844759 456932881 /nfs/dbraw/zinc/93/28/81/456932881.db2.gz VSVWYBSRDLVHRV-UXHICEINSA-N 2 2 332.463 3.462 10 0 EGAELP CO[C@H](C)C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879702 456983905 /nfs/dbraw/zinc/98/39/05/456983905.db2.gz CLRGCZXVEDFWBY-UYAOXDASSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879702 456983909 /nfs/dbraw/zinc/98/39/09/456983909.db2.gz CLRGCZXVEDFWBY-UYAOXDASSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879702 456983914 /nfs/dbraw/zinc/98/39/14/456983914.db2.gz CLRGCZXVEDFWBY-UYAOXDASSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879702 456983915 /nfs/dbraw/zinc/98/39/15/456983915.db2.gz CLRGCZXVEDFWBY-UYAOXDASSA-N 2 2 334.504 3.023 10 0 EGAELP CCc1noc(C)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000339440405 457119971 /nfs/dbraw/zinc/11/99/71/457119971.db2.gz QWFYQLVOBDLKMF-UHFFFAOYSA-N 2 2 327.472 3.342 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C2 ZINC000356704093 457126016 /nfs/dbraw/zinc/12/60/16/457126016.db2.gz STSUBHAJEWTOHX-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000356704093 457126022 /nfs/dbraw/zinc/12/60/22/457126022.db2.gz STSUBHAJEWTOHX-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000357282001 457420382 /nfs/dbraw/zinc/42/03/82/457420382.db2.gz IHEDXSPKTKBRLR-QGZVFWFLSA-N 2 2 348.878 3.112 10 0 EGAELP CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361023191 457517804 /nfs/dbraw/zinc/51/78/04/457517804.db2.gz LIPVOJYXNYTEHK-QZTJIDSGSA-N 2 2 346.519 3.273 10 0 EGAELP Clc1ccc(-c2nnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)cc1 ZINC000374213778 457525657 /nfs/dbraw/zinc/52/56/57/457525657.db2.gz VUVHTAJPZWJJOT-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP COC(=O)C[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000361322928 457693006 /nfs/dbraw/zinc/69/30/06/457693006.db2.gz BBLUPIASHMYROX-UHFFFAOYSA-N 2 2 329.444 3.152 10 0 EGAELP COC(=O)C[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000361322928 457693009 /nfs/dbraw/zinc/69/30/09/457693009.db2.gz BBLUPIASHMYROX-UHFFFAOYSA-N 2 2 329.444 3.152 10 0 EGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846911 457704305 /nfs/dbraw/zinc/70/43/05/457704305.db2.gz KZFVPRAEXLDTBX-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846911 457704308 /nfs/dbraw/zinc/70/43/08/457704308.db2.gz KZFVPRAEXLDTBX-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000361388238 457714190 /nfs/dbraw/zinc/71/41/90/457714190.db2.gz DNBVJFVSBUJWLJ-HXUWFJFHSA-N 2 2 343.471 3.006 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCOC[C@]12CCOC2 ZINC000361388238 457714195 /nfs/dbraw/zinc/71/41/95/457714195.db2.gz DNBVJFVSBUJWLJ-HXUWFJFHSA-N 2 2 343.471 3.006 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753841 457834979 /nfs/dbraw/zinc/83/49/79/457834979.db2.gz LHIJXIWLMOXSOM-MELADBBJSA-N 2 2 333.867 3.054 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753841 457834986 /nfs/dbraw/zinc/83/49/86/457834986.db2.gz LHIJXIWLMOXSOM-MELADBBJSA-N 2 2 333.867 3.054 10 0 EGAELP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)c(Cl)nc21 ZINC000368090109 458009558 /nfs/dbraw/zinc/00/95/58/458009558.db2.gz PLSUWEZZOQPKJA-CYBMUJFWSA-N 2 2 344.850 3.036 10 0 EGAELP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)c(Cl)nc21 ZINC000368090109 458009564 /nfs/dbraw/zinc/00/95/64/458009564.db2.gz PLSUWEZZOQPKJA-CYBMUJFWSA-N 2 2 344.850 3.036 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152351 458102344 /nfs/dbraw/zinc/10/23/44/458102344.db2.gz AOZSEFAXQXBLDM-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152351 458102349 /nfs/dbraw/zinc/10/23/49/458102349.db2.gz AOZSEFAXQXBLDM-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152351 458102352 /nfs/dbraw/zinc/10/23/52/458102352.db2.gz AOZSEFAXQXBLDM-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000369152351 458102357 /nfs/dbraw/zinc/10/23/57/458102357.db2.gz AOZSEFAXQXBLDM-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006980 458254168 /nfs/dbraw/zinc/25/41/68/458254168.db2.gz IXECENGOQQLAGW-DNVCBOLYSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006980 458254172 /nfs/dbraw/zinc/25/41/72/458254172.db2.gz IXECENGOQQLAGW-DNVCBOLYSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429006980 458254175 /nfs/dbraw/zinc/25/41/75/458254175.db2.gz IXECENGOQQLAGW-DNVCBOLYSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429006980 458254181 /nfs/dbraw/zinc/25/41/81/458254181.db2.gz IXECENGOQQLAGW-DNVCBOLYSA-N 2 2 326.444 3.134 10 0 EGAELP CC1(C)Cc2cccc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)c2O1 ZINC000369540706 458256236 /nfs/dbraw/zinc/25/62/36/458256236.db2.gz PPYILYJNMPMMHU-UHFFFAOYSA-N 2 2 334.423 3.271 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439467 458371724 /nfs/dbraw/zinc/37/17/24/458371724.db2.gz TZTXAXCOOOEXNW-BEFAXECRSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439467 458371727 /nfs/dbraw/zinc/37/17/27/458371727.db2.gz TZTXAXCOOOEXNW-BEFAXECRSA-N 3 2 333.545 3.347 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799573 458373129 /nfs/dbraw/zinc/37/31/29/458373129.db2.gz OYTXDUAIPXYATO-MJGOQNOKSA-N 2 2 337.552 3.125 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799573 458373131 /nfs/dbraw/zinc/37/31/31/458373131.db2.gz OYTXDUAIPXYATO-MJGOQNOKSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799573 458373133 /nfs/dbraw/zinc/37/31/33/458373133.db2.gz OYTXDUAIPXYATO-MJGOQNOKSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799573 458373136 /nfs/dbraw/zinc/37/31/36/458373136.db2.gz OYTXDUAIPXYATO-MJGOQNOKSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@H](C)O2 ZINC000430767758 458488981 /nfs/dbraw/zinc/48/89/81/458488981.db2.gz NOZUYUTWPZGYHU-VKJFTORMSA-N 2 2 347.484 3.092 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@H](C)O2 ZINC000430767758 458488986 /nfs/dbraw/zinc/48/89/86/458488986.db2.gz NOZUYUTWPZGYHU-VKJFTORMSA-N 2 2 347.484 3.092 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000437990674 458519301 /nfs/dbraw/zinc/51/93/01/458519301.db2.gz FZXUPSHATQSWPA-PZJWPPBQSA-N 2 2 336.483 3.417 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438096461 458532642 /nfs/dbraw/zinc/53/26/42/458532642.db2.gz JHWGDAFDSNVKFB-FPOVZHCZSA-N 2 2 338.499 3.048 10 0 EGAELP CC(C)n1cncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000424153489 458572666 /nfs/dbraw/zinc/57/26/66/458572666.db2.gz ILBOCPCHCIUSKX-INIZCTEOSA-N 2 2 327.476 3.174 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000462783683 458653010 /nfs/dbraw/zinc/65/30/10/458653010.db2.gz UFLYQRNKFFNHND-BQJUDKOJSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000462783683 458653019 /nfs/dbraw/zinc/65/30/19/458653019.db2.gz UFLYQRNKFFNHND-BQJUDKOJSA-N 2 2 328.500 3.446 10 0 EGAELP Cn1nnc2cc(C[NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)ccc21 ZINC000494487228 458686467 /nfs/dbraw/zinc/68/64/67/458686467.db2.gz QFJXCEYLQBHETG-OAQYLSRUSA-N 2 2 349.482 3.113 10 0 EGAELP Cn1nnc2cc(C[NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000494487228 458686471 /nfs/dbraw/zinc/68/64/71/458686471.db2.gz QFJXCEYLQBHETG-OAQYLSRUSA-N 2 2 349.482 3.113 10 0 EGAELP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000530243934 458728851 /nfs/dbraw/zinc/72/88/51/458728851.db2.gz IVFHKUURQRNDOB-CYBMUJFWSA-N 2 2 329.669 3.477 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245566 458729214 /nfs/dbraw/zinc/72/92/14/458729214.db2.gz ZDZHIBWMLHZLNE-YOEHRIQHSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245566 458729218 /nfs/dbraw/zinc/72/92/18/458729218.db2.gz ZDZHIBWMLHZLNE-YOEHRIQHSA-N 2 2 326.843 3.119 10 0 EGAELP CC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126521 459090291 /nfs/dbraw/zinc/09/02/91/459090291.db2.gz LNMATOZJBRVRTG-SFHVURJKSA-N 2 2 332.513 3.105 10 0 EGAELP CC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126521 459090295 /nfs/dbraw/zinc/09/02/95/459090295.db2.gz LNMATOZJBRVRTG-SFHVURJKSA-N 2 2 332.513 3.105 10 0 EGAELP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126521 459090303 /nfs/dbraw/zinc/09/03/03/459090303.db2.gz LNMATOZJBRVRTG-SFHVURJKSA-N 2 2 332.513 3.105 10 0 EGAELP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126521 459090308 /nfs/dbraw/zinc/09/03/08/459090308.db2.gz LNMATOZJBRVRTG-SFHVURJKSA-N 2 2 332.513 3.105 10 0 EGAELP c1cn(CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000582062052 459301099 /nfs/dbraw/zinc/30/10/99/459301099.db2.gz NKBKHZHDQGSSJS-FQEVSTJZSA-N 3 2 338.499 3.450 10 0 EGAELP c1cn(CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000582062052 459301102 /nfs/dbraw/zinc/30/11/02/459301102.db2.gz NKBKHZHDQGSSJS-FQEVSTJZSA-N 3 2 338.499 3.450 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591866750 459458742 /nfs/dbraw/zinc/45/87/42/459458742.db2.gz FBBAGTZUOFCVMO-FUHWJXTLSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591866750 459458746 /nfs/dbraw/zinc/45/87/46/459458746.db2.gz FBBAGTZUOFCVMO-FUHWJXTLSA-N 2 2 326.444 3.164 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C2 ZINC000569521929 459464722 /nfs/dbraw/zinc/46/47/22/459464722.db2.gz OTYSXLVDZCSORM-OWCLPIDISA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C2 ZINC000569521929 459464728 /nfs/dbraw/zinc/46/47/28/459464728.db2.gz OTYSXLVDZCSORM-OWCLPIDISA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)CC2 ZINC000569521929 459464733 /nfs/dbraw/zinc/46/47/33/459464733.db2.gz OTYSXLVDZCSORM-OWCLPIDISA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)CC2 ZINC000569521929 459464738 /nfs/dbraw/zinc/46/47/38/459464738.db2.gz OTYSXLVDZCSORM-OWCLPIDISA-N 2 2 346.519 3.017 10 0 EGAELP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000561945620 459494567 /nfs/dbraw/zinc/49/45/67/459494567.db2.gz WZHYKZGSRIJTEH-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000561945620 459494568 /nfs/dbraw/zinc/49/45/68/459494568.db2.gz WZHYKZGSRIJTEH-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cn1 ZINC000561945620 459494569 /nfs/dbraw/zinc/49/45/69/459494569.db2.gz WZHYKZGSRIJTEH-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cn1 ZINC000561945620 459494574 /nfs/dbraw/zinc/49/45/74/459494574.db2.gz WZHYKZGSRIJTEH-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592403961 459594499 /nfs/dbraw/zinc/59/44/99/459594499.db2.gz SIBZNVHSDXZNGH-QGTPRVQTSA-N 2 2 342.439 3.062 10 0 EGAELP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592403961 459594500 /nfs/dbraw/zinc/59/45/00/459594500.db2.gz SIBZNVHSDXZNGH-QGTPRVQTSA-N 2 2 342.439 3.062 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527630456 459677924 /nfs/dbraw/zinc/67/79/24/459677924.db2.gz AETFFEXGBYPAHR-UHFFFAOYSA-N 2 2 333.220 3.301 10 0 EGAELP Clc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000563136208 459723520 /nfs/dbraw/zinc/72/35/20/459723520.db2.gz KYHNOQYWJSJYES-SFHVURJKSA-N 2 2 336.863 3.077 10 0 EGAELP Clc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000563136208 459723524 /nfs/dbraw/zinc/72/35/24/459723524.db2.gz KYHNOQYWJSJYES-SFHVURJKSA-N 2 2 336.863 3.077 10 0 EGAELP Cn1c[nH+]c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000527807125 459743074 /nfs/dbraw/zinc/74/30/74/459743074.db2.gz GQNSWVOOKUIQSE-HNNXBMFYSA-N 2 2 327.259 3.119 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527811937 459747736 /nfs/dbraw/zinc/74/77/36/459747736.db2.gz ZIMQNLOWMHSYBX-INIZCTEOSA-N 2 2 328.435 3.322 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527811937 459747740 /nfs/dbraw/zinc/74/77/40/459747740.db2.gz ZIMQNLOWMHSYBX-INIZCTEOSA-N 2 2 328.435 3.322 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527951144 459780542 /nfs/dbraw/zinc/78/05/42/459780542.db2.gz QHNSVGKGIRIYMG-ZIFCJYIRSA-N 2 2 330.520 3.443 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527951144 459780547 /nfs/dbraw/zinc/78/05/47/459780547.db2.gz QHNSVGKGIRIYMG-ZIFCJYIRSA-N 2 2 330.520 3.443 10 0 EGAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528001547 459792470 /nfs/dbraw/zinc/79/24/70/459792470.db2.gz HBNWYFANHBVZRD-GHTZIAJQSA-N 2 2 349.478 3.068 10 0 EGAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528001547 459792472 /nfs/dbraw/zinc/79/24/72/459792472.db2.gz HBNWYFANHBVZRD-GHTZIAJQSA-N 2 2 349.478 3.068 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015032 459797064 /nfs/dbraw/zinc/79/70/64/459797064.db2.gz WQQJOSAYPHXKEM-RHSMWYFYSA-N 2 2 348.487 3.380 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015032 459797068 /nfs/dbraw/zinc/79/70/68/459797068.db2.gz WQQJOSAYPHXKEM-RHSMWYFYSA-N 2 2 348.487 3.380 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000566150337 459814724 /nfs/dbraw/zinc/81/47/24/459814724.db2.gz ZFFQIUIUZFCFGL-PXNSSMCTSA-N 2 2 338.499 3.005 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566415806 459862701 /nfs/dbraw/zinc/86/27/01/459862701.db2.gz JXWTXDXXMAGZER-CYBMUJFWSA-N 2 2 328.441 3.435 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566415806 459862708 /nfs/dbraw/zinc/86/27/08/459862708.db2.gz JXWTXDXXMAGZER-CYBMUJFWSA-N 2 2 328.441 3.435 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575046066 459914946 /nfs/dbraw/zinc/91/49/46/459914946.db2.gz ADGFESLTPNGIED-OAQYLSRUSA-N 3 2 329.532 3.220 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575046066 459914968 /nfs/dbraw/zinc/91/49/68/459914968.db2.gz ADGFESLTPNGIED-OAQYLSRUSA-N 3 2 329.532 3.220 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575046066 459914977 /nfs/dbraw/zinc/91/49/77/459914977.db2.gz ADGFESLTPNGIED-OAQYLSRUSA-N 3 2 329.532 3.220 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575046066 459914987 /nfs/dbraw/zinc/91/49/87/459914987.db2.gz ADGFESLTPNGIED-OAQYLSRUSA-N 3 2 329.532 3.220 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690498 459969666 /nfs/dbraw/zinc/96/96/66/459969666.db2.gz DOIXHMQULBIUQL-RTWAWAEBSA-N 2 2 342.458 3.456 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690498 459969674 /nfs/dbraw/zinc/96/96/74/459969674.db2.gz DOIXHMQULBIUQL-RTWAWAEBSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690498 459969678 /nfs/dbraw/zinc/96/96/78/459969678.db2.gz DOIXHMQULBIUQL-RTWAWAEBSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690498 459969685 /nfs/dbraw/zinc/96/96/85/459969685.db2.gz DOIXHMQULBIUQL-RTWAWAEBSA-N 2 2 342.458 3.456 10 0 EGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622044035 460169591 /nfs/dbraw/zinc/16/95/91/460169591.db2.gz SCSCIEDGBREGBK-XJKSGUPXSA-N 2 2 342.405 3.441 10 0 EGAELP C[C@H](C[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885291 460494702 /nfs/dbraw/zinc/49/47/02/460494702.db2.gz ZZPHDZLHHPVNRT-DENIHFKCSA-N 2 2 338.495 3.407 10 0 EGAELP C[C@H](C[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885291 460494707 /nfs/dbraw/zinc/49/47/07/460494707.db2.gz ZZPHDZLHHPVNRT-DENIHFKCSA-N 2 2 338.495 3.407 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362797 460511322 /nfs/dbraw/zinc/51/13/22/460511322.db2.gz LFSIEPIUIZTRFB-IBGZPJMESA-N 3 2 333.495 3.253 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362797 460511326 /nfs/dbraw/zinc/51/13/26/460511326.db2.gz LFSIEPIUIZTRFB-IBGZPJMESA-N 3 2 333.495 3.253 10 0 EGAELP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000623838196 460737049 /nfs/dbraw/zinc/73/70/49/460737049.db2.gz KAWMRVJMEBQACQ-KRWDZBQOSA-N 2 2 330.859 3.163 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885683 460761474 /nfs/dbraw/zinc/76/14/74/460761474.db2.gz GCLVKDNJASRGFV-JKSUJKDBSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885683 460761484 /nfs/dbraw/zinc/76/14/84/460761484.db2.gz GCLVKDNJASRGFV-JKSUJKDBSA-N 2 2 343.475 3.291 10 0 EGAELP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000623954560 460795216 /nfs/dbraw/zinc/79/52/16/460795216.db2.gz SBQGSWWIKWLOCB-KRWDZBQOSA-N 2 2 340.471 3.234 10 0 EGAELP [NH3+]C1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCOCC1 ZINC000629524045 460796347 /nfs/dbraw/zinc/79/63/47/460796347.db2.gz KDYLVXKXKCTVPT-UHFFFAOYSA-N 2 2 332.394 3.152 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000629543572 460802970 /nfs/dbraw/zinc/80/29/70/460802970.db2.gz DENGFWGRVFGNBE-KJGCVMFHSA-N 2 2 336.451 3.175 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000629590302 460818018 /nfs/dbraw/zinc/81/80/18/460818018.db2.gz TVALVRVHXYZBAM-OXJNMPFZSA-N 2 2 332.451 3.379 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000629598968 460822757 /nfs/dbraw/zinc/82/27/57/460822757.db2.gz YOSNORDUPHCCEM-HDICACEKSA-N 2 2 331.847 3.426 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000629598968 460822758 /nfs/dbraw/zinc/82/27/58/460822758.db2.gz YOSNORDUPHCCEM-HDICACEKSA-N 2 2 331.847 3.426 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCOCC1 ZINC000629653914 460849548 /nfs/dbraw/zinc/84/95/48/460849548.db2.gz JUFVBPAWWYFOHG-UHFFFAOYSA-N 2 2 343.452 3.154 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000629672825 460860929 /nfs/dbraw/zinc/86/09/29/460860929.db2.gz ZLUZBAQCJFNQLS-QPUJVOFHSA-N 2 2 337.183 3.308 10 0 EGAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189252 460901890 /nfs/dbraw/zinc/90/18/90/460901890.db2.gz BCNCKGSKLRRCOQ-CRAIPNDOSA-N 2 2 345.487 3.019 10 0 EGAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189252 460901898 /nfs/dbraw/zinc/90/18/98/460901898.db2.gz BCNCKGSKLRRCOQ-CRAIPNDOSA-N 2 2 345.487 3.019 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000608069581 460976640 /nfs/dbraw/zinc/97/66/40/460976640.db2.gz COFVGYPRFYOULJ-SFHVURJKSA-N 2 2 331.423 3.370 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617927915 461026733 /nfs/dbraw/zinc/02/67/33/461026733.db2.gz FQFITVKVQWKINP-QGZVFWFLSA-N 2 2 339.439 3.430 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617927915 461026742 /nfs/dbraw/zinc/02/67/42/461026742.db2.gz FQFITVKVQWKINP-QGZVFWFLSA-N 2 2 339.439 3.430 10 0 EGAELP Cc1ccc(C[N@H+](CCc2ccccc2)C[C@H]2C[NH2+]CCO2)s1 ZINC000662248861 461141457 /nfs/dbraw/zinc/14/14/57/461141457.db2.gz LDGGNGKTOYPVPI-GOSISDBHSA-N 2 2 330.497 3.090 10 0 EGAELP Cc1ccc(C[N@@H+](CCc2ccccc2)C[C@H]2C[NH2+]CCO2)s1 ZINC000662248861 461141466 /nfs/dbraw/zinc/14/14/66/461141466.db2.gz LDGGNGKTOYPVPI-GOSISDBHSA-N 2 2 330.497 3.090 10 0 EGAELP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000662248000 461142354 /nfs/dbraw/zinc/14/23/54/461142354.db2.gz QNJOVSAPFCCQRS-LBPRGKRZSA-N 2 2 334.689 3.303 10 0 EGAELP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000662248000 461142359 /nfs/dbraw/zinc/14/23/59/461142359.db2.gz QNJOVSAPFCCQRS-LBPRGKRZSA-N 2 2 334.689 3.303 10 0 EGAELP CCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000662253094 461145654 /nfs/dbraw/zinc/14/56/54/461145654.db2.gz VAGFMZIBLVEOSU-UONOGXRCSA-N 2 2 341.293 3.211 10 0 EGAELP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000662253094 461145666 /nfs/dbraw/zinc/14/56/66/461145666.db2.gz VAGFMZIBLVEOSU-UONOGXRCSA-N 2 2 341.293 3.211 10 0 EGAELP Fc1cccc([C@H]2COCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662312703 461184316 /nfs/dbraw/zinc/18/43/16/461184316.db2.gz ZCISMVSZOYLMTQ-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1cccc([C@H]2COCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662312703 461184322 /nfs/dbraw/zinc/18/43/22/461184322.db2.gz ZCISMVSZOYLMTQ-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325722 461191780 /nfs/dbraw/zinc/19/17/80/461191780.db2.gz IVUJKIKTTGWQRV-LJQANCHMSA-N 2 2 334.504 3.361 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325722 461191786 /nfs/dbraw/zinc/19/17/86/461191786.db2.gz IVUJKIKTTGWQRV-LJQANCHMSA-N 2 2 334.504 3.361 10 0 EGAELP Cc1ccc(OC(F)F)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662323632 461191995 /nfs/dbraw/zinc/19/19/95/461191995.db2.gz OMRLLIAHLBCSMQ-MRXNPFEDSA-N 2 2 342.430 3.139 10 0 EGAELP Cc1ccc(OC(F)F)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662323632 461192007 /nfs/dbraw/zinc/19/20/07/461192007.db2.gz OMRLLIAHLBCSMQ-MRXNPFEDSA-N 2 2 342.430 3.139 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587950 461198241 /nfs/dbraw/zinc/19/82/41/461198241.db2.gz XIHJVOKHVAHYDA-LAUBAEHRSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587950 461198251 /nfs/dbraw/zinc/19/82/51/461198251.db2.gz XIHJVOKHVAHYDA-LAUBAEHRSA-N 2 2 338.499 3.220 10 0 EGAELP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)CC1C[NH+](C)C1 ZINC000668539971 461321296 /nfs/dbraw/zinc/32/12/96/461321296.db2.gz SACMIAHVTQAGTD-UHFFFAOYSA-N 2 2 349.219 3.044 10 0 EGAELP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)CC1C[NH+](C)C1 ZINC000668539971 461321300 /nfs/dbraw/zinc/32/13/00/461321300.db2.gz SACMIAHVTQAGTD-UHFFFAOYSA-N 2 2 349.219 3.044 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655685508 461361119 /nfs/dbraw/zinc/36/11/19/461361119.db2.gz GGZDPDLKDMKOTK-ROUUACIJSA-N 2 2 333.545 3.072 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000655741686 461407919 /nfs/dbraw/zinc/40/79/19/461407919.db2.gz ARRSXJKQGSEHQO-LJQANCHMSA-N 2 2 335.455 3.027 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC(c4[nH]cc[nH+]4)CC3)c21 ZINC000642110773 461449316 /nfs/dbraw/zinc/44/93/16/461449316.db2.gz LXPICTUAHRLMJE-UHFFFAOYSA-N 2 2 336.374 3.357 10 0 EGAELP COc1cncc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000631030124 461483524 /nfs/dbraw/zinc/48/35/24/461483524.db2.gz KEYIFBHXFODKKP-INIZCTEOSA-N 2 2 331.485 3.387 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)C1 ZINC000642268379 461483967 /nfs/dbraw/zinc/48/39/67/461483967.db2.gz CAPZAYBHFKTVLL-LJQANCHMSA-N 2 2 339.418 3.172 10 0 EGAELP C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)C1 ZINC000642268379 461483977 /nfs/dbraw/zinc/48/39/77/461483977.db2.gz CAPZAYBHFKTVLL-LJQANCHMSA-N 2 2 339.418 3.172 10 0 EGAELP C[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209650 461564872 /nfs/dbraw/zinc/56/48/72/461564872.db2.gz SYXABCOZPKSPSO-KVJIRVJXSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209650 461564878 /nfs/dbraw/zinc/56/48/78/461564878.db2.gz SYXABCOZPKSPSO-KVJIRVJXSA-N 2 2 336.479 3.422 10 0 EGAELP Cc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc(-c2ccncc2)[nH+]1 ZINC000643044263 461595469 /nfs/dbraw/zinc/59/54/69/461595469.db2.gz PRTHSVQMKDZOFP-QZTJIDSGSA-N 2 2 337.471 3.063 10 0 EGAELP c1[nH+]c2n(c1CN[C@H]1CCCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000631205650 461639894 /nfs/dbraw/zinc/63/98/94/461639894.db2.gz QDXGKNJSKHBEAF-IBGZPJMESA-N 2 2 338.499 3.364 10 0 EGAELP c1[nH+]c2n(c1CN[C@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000631205650 461639903 /nfs/dbraw/zinc/63/99/03/461639903.db2.gz QDXGKNJSKHBEAF-IBGZPJMESA-N 2 2 338.499 3.364 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cn21 ZINC000647364377 461658584 /nfs/dbraw/zinc/65/85/84/461658584.db2.gz ZBSVBHJGIFSEOD-NZSAHSFTSA-N 2 2 327.472 3.370 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2cc1OC ZINC000663533954 461693582 /nfs/dbraw/zinc/69/35/82/461693582.db2.gz RPXYUHLHJYJKPE-CQSZACIVSA-N 2 2 338.411 3.359 10 0 EGAELP CC(=O)NC1CC[NH+](CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000643368049 461709223 /nfs/dbraw/zinc/70/92/23/461709223.db2.gz ABMXWMCHUPVACC-UHFFFAOYSA-N 2 2 342.487 3.116 10 0 EGAELP CCOc1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480384 461728155 /nfs/dbraw/zinc/72/81/55/461728155.db2.gz LHJDMVZFMDBQFF-IEBWSBKVSA-N 2 2 348.535 3.210 10 0 EGAELP CCOc1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480384 461728165 /nfs/dbraw/zinc/72/81/65/461728165.db2.gz LHJDMVZFMDBQFF-IEBWSBKVSA-N 2 2 348.535 3.210 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480715 461728335 /nfs/dbraw/zinc/72/83/35/461728335.db2.gz XXSMONJIHLVIJY-DLBZAZTESA-N 2 2 348.487 3.067 10 0 EGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480715 461728346 /nfs/dbraw/zinc/72/83/46/461728346.db2.gz XXSMONJIHLVIJY-DLBZAZTESA-N 2 2 348.487 3.067 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401356 461733775 /nfs/dbraw/zinc/73/37/75/461733775.db2.gz DBRAJWNOXYZZJH-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401356 461733782 /nfs/dbraw/zinc/73/37/82/461733782.db2.gz DBRAJWNOXYZZJH-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2cccnc2)cc1 ZINC000656401356 461733787 /nfs/dbraw/zinc/73/37/87/461733787.db2.gz DBRAJWNOXYZZJH-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2cccnc2)cc1 ZINC000656401356 461733792 /nfs/dbraw/zinc/73/37/92/461733792.db2.gz DBRAJWNOXYZZJH-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402272 461734256 /nfs/dbraw/zinc/73/42/56/461734256.db2.gz MMLPSBCTMYIUBW-VJANTYMQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402272 461734266 /nfs/dbraw/zinc/73/42/66/461734266.db2.gz MMLPSBCTMYIUBW-VJANTYMQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402272 461734274 /nfs/dbraw/zinc/73/42/74/461734274.db2.gz MMLPSBCTMYIUBW-VJANTYMQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402272 461734283 /nfs/dbraw/zinc/73/42/83/461734283.db2.gz MMLPSBCTMYIUBW-VJANTYMQSA-N 2 2 339.508 3.486 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[NH2+]C[C@H](C)C3)ccn2)cc1 ZINC000647550945 461762405 /nfs/dbraw/zinc/76/24/05/461762405.db2.gz PUVJEROJQVHVSG-NVXWUHKLSA-N 2 2 341.455 3.360 10 0 EGAELP COc1cc2cc[nH+]c(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000663704968 461764446 /nfs/dbraw/zinc/76/44/46/461764446.db2.gz RGNYGBCEYNGISC-OCCSQVGLSA-N 2 2 327.428 3.289 10 0 EGAELP COc1cc2cc[nH+]c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000663704968 461764454 /nfs/dbraw/zinc/76/44/54/461764454.db2.gz RGNYGBCEYNGISC-OCCSQVGLSA-N 2 2 327.428 3.289 10 0 EGAELP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669700347 461771038 /nfs/dbraw/zinc/77/10/38/461771038.db2.gz VNSQHOHYXDYHEV-OTWHNJEPSA-N 2 2 327.472 3.499 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899565 461874685 /nfs/dbraw/zinc/87/46/85/461874685.db2.gz POJSXWKAWNPYAI-AABGKKOBSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899565 461874688 /nfs/dbraw/zinc/87/46/88/461874688.db2.gz POJSXWKAWNPYAI-AABGKKOBSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902047 461875663 /nfs/dbraw/zinc/87/56/63/461875663.db2.gz ZGBSTPVTSFFAQY-UXLLHSPISA-N 2 2 349.906 3.439 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902047 461875671 /nfs/dbraw/zinc/87/56/71/461875671.db2.gz ZGBSTPVTSFFAQY-UXLLHSPISA-N 2 2 349.906 3.439 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000650704920 461897492 /nfs/dbraw/zinc/89/74/92/461897492.db2.gz JOONRMLZLQPBER-UHFFFAOYSA-N 2 2 331.485 3.011 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000644623088 462013291 /nfs/dbraw/zinc/01/32/91/462013291.db2.gz OMMOXRABWSYNML-GOSISDBHSA-N 2 2 334.410 3.207 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000644623088 462013298 /nfs/dbraw/zinc/01/32/98/462013298.db2.gz OMMOXRABWSYNML-GOSISDBHSA-N 2 2 334.410 3.207 10 0 EGAELP Cc1ccc2cc(CNc3ccc(N4CC[NH+](C)CC4)c[nH+]3)[nH]c2c1 ZINC000657322373 462043951 /nfs/dbraw/zinc/04/39/51/462043951.db2.gz MSLPXUFWXHNWBK-UHFFFAOYSA-N 2 2 335.455 3.235 10 0 EGAELP Cc1c(Br)cncc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000657457126 462136496 /nfs/dbraw/zinc/13/64/96/462136496.db2.gz FVPUGTGFVMUDKT-UHFFFAOYSA-N 2 2 338.293 3.259 10 0 EGAELP Brc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459531 462138328 /nfs/dbraw/zinc/13/83/28/462138328.db2.gz XBDZFTZNMYJLCU-CQSZACIVSA-N 2 2 348.244 3.205 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657468669 462142804 /nfs/dbraw/zinc/14/28/04/462142804.db2.gz ASMBHHXSALYZPC-LJQANCHMSA-N 2 2 338.499 3.221 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657468669 462142808 /nfs/dbraw/zinc/14/28/08/462142808.db2.gz ASMBHHXSALYZPC-LJQANCHMSA-N 2 2 338.499 3.221 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657522245 462164708 /nfs/dbraw/zinc/16/47/08/462164708.db2.gz BRXKOMGXCPSERC-MRXNPFEDSA-N 2 2 328.460 3.048 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657522245 462164715 /nfs/dbraw/zinc/16/47/15/462164715.db2.gz BRXKOMGXCPSERC-MRXNPFEDSA-N 2 2 328.460 3.048 10 0 EGAELP CC[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000648562708 462176183 /nfs/dbraw/zinc/17/61/83/462176183.db2.gz FRFAWDKOWJGHEH-LMPOIIKSSA-N 2 2 334.426 3.339 10 0 EGAELP C[NH+]1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000657642086 462214355 /nfs/dbraw/zinc/21/43/55/462214355.db2.gz SUBWRMGQEFVSPO-HNNXBMFYSA-N 2 2 341.318 3.421 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCN(C4CCCCC4)C3)c2)c[nH+]1 ZINC000657677218 462225419 /nfs/dbraw/zinc/22/54/19/462225419.db2.gz AOYAACDXOYEFMK-OAHLLOKOSA-N 2 2 330.501 3.430 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@H]3CCN(C4CCCCC4)C3)c2)c[nH+]1 ZINC000657677217 462225739 /nfs/dbraw/zinc/22/57/39/462225739.db2.gz AOYAACDXOYEFMK-HNNXBMFYSA-N 2 2 330.501 3.430 10 0 EGAELP Clc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751660 462252027 /nfs/dbraw/zinc/25/20/27/462252027.db2.gz UBGMAZJJKGJRMT-CQSZACIVSA-N 2 2 334.847 3.429 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(OC)c1 ZINC000667769786 462253335 /nfs/dbraw/zinc/25/33/35/462253335.db2.gz GSCXIKXVTKAEFY-DFQSSKMNSA-N 2 2 332.488 3.235 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657776910 462261859 /nfs/dbraw/zinc/26/18/59/462261859.db2.gz IHEABUFYIJONIO-RDJZCZTQSA-N 2 2 338.442 3.179 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000657776910 462261866 /nfs/dbraw/zinc/26/18/66/462261866.db2.gz IHEABUFYIJONIO-RDJZCZTQSA-N 2 2 338.442 3.179 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000648755512 462263456 /nfs/dbraw/zinc/26/34/56/462263456.db2.gz HUGGIWQUBSSGEH-AWEZNQCLSA-N 2 2 344.459 3.076 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@@H](COC)CC2CCOCC2)[NH+](C)C)cc1 ZINC000657814557 462281764 /nfs/dbraw/zinc/28/17/64/462281764.db2.gz AWWPNYJIYJSIMO-NHCUHLMSSA-N 2 2 348.531 3.273 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000657858582 462299499 /nfs/dbraw/zinc/29/94/99/462299499.db2.gz IVFVERBVBHVWOF-WOJBJXKFSA-N 2 2 334.504 3.019 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCOCC1)c1ccccc1 ZINC000667871317 462303121 /nfs/dbraw/zinc/30/31/21/462303121.db2.gz SGGLPZONJORQPS-PWIZWCRZSA-N 2 2 344.499 3.044 10 0 EGAELP c1cc(C[NH+]2CCC(Cc3cccnc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667950585 462341268 /nfs/dbraw/zinc/34/12/68/462341268.db2.gz JDFRKWCWVIKFFC-UHFFFAOYSA-N 2 2 333.439 3.117 10 0 EGAELP CCC1(CC)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000651805797 462341828 /nfs/dbraw/zinc/34/18/28/462341828.db2.gz BYNKVYQABYFEMI-YQQQUEKLSA-N 2 2 349.563 3.409 10 0 EGAELP CCC1(CC)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000651805797 462341832 /nfs/dbraw/zinc/34/18/32/462341832.db2.gz BYNKVYQABYFEMI-YQQQUEKLSA-N 2 2 349.563 3.409 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058847 462362376 /nfs/dbraw/zinc/36/23/76/462362376.db2.gz VCAYGXANUGDIRW-LPHOPBHVSA-N 2 2 331.504 3.047 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058847 462362383 /nfs/dbraw/zinc/36/23/83/462362383.db2.gz VCAYGXANUGDIRW-LPHOPBHVSA-N 2 2 331.504 3.047 10 0 EGAELP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000667996230 462367251 /nfs/dbraw/zinc/36/72/51/462367251.db2.gz IHOVPHPMMCVETJ-GOSISDBHSA-N 2 2 338.411 3.344 10 0 EGAELP COCc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000667996230 462367255 /nfs/dbraw/zinc/36/72/55/462367255.db2.gz IHOVPHPMMCVETJ-GOSISDBHSA-N 2 2 338.411 3.344 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690300 462368177 /nfs/dbraw/zinc/36/81/77/462368177.db2.gz LMYQFZITRFFOAJ-LSDHHAIUSA-N 2 2 344.434 3.475 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690300 462368181 /nfs/dbraw/zinc/36/81/81/462368181.db2.gz LMYQFZITRFFOAJ-LSDHHAIUSA-N 2 2 344.434 3.475 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000665254865 462370157 /nfs/dbraw/zinc/37/01/57/462370157.db2.gz ARULXSZSSMXRMC-YSSFQJQWSA-N 2 2 328.456 3.345 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cnn1-c1cccc(Cl)c1 ZINC000665277522 462381705 /nfs/dbraw/zinc/38/17/05/462381705.db2.gz DHAKDLYWZVRKNC-LVIIFESRSA-N 2 2 330.863 3.237 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102888 462385329 /nfs/dbraw/zinc/38/53/29/462385329.db2.gz RHYOEACBMHZZTD-JUFRUHRKSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102888 462385336 /nfs/dbraw/zinc/38/53/36/462385336.db2.gz RHYOEACBMHZZTD-JUFRUHRKSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649294220 462469728 /nfs/dbraw/zinc/46/97/28/462469728.db2.gz DZHXLUGHPNTCJV-CQSZACIVSA-N 2 2 337.895 3.063 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317081 462474913 /nfs/dbraw/zinc/47/49/13/462474913.db2.gz JAMWEDRSXHBMIJ-PKOBYXMFSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317081 462474916 /nfs/dbraw/zinc/47/49/16/462474916.db2.gz JAMWEDRSXHBMIJ-PKOBYXMFSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658323774 462478174 /nfs/dbraw/zinc/47/81/74/462478174.db2.gz VYRTVXDRESDATF-AWEZNQCLSA-N 2 2 335.398 3.463 10 0 EGAELP CCC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662151812 462531829 /nfs/dbraw/zinc/53/18/29/462531829.db2.gz LPQADRWUCFNILK-FQEVSTJZSA-N 2 2 330.516 3.405 10 0 EGAELP CCC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662151812 462531830 /nfs/dbraw/zinc/53/18/30/462531830.db2.gz LPQADRWUCFNILK-FQEVSTJZSA-N 2 2 330.516 3.405 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000528137911 478651122 /nfs/dbraw/zinc/65/11/22/478651122.db2.gz HGUDHBKIDKSIHL-KRWDZBQOSA-N 2 2 338.455 3.357 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000528137911 478651131 /nfs/dbraw/zinc/65/11/31/478651131.db2.gz HGUDHBKIDKSIHL-KRWDZBQOSA-N 2 2 338.455 3.357 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)COc2ccccc2O1 ZINC000527738557 518181361 /nfs/dbraw/zinc/18/13/61/518181361.db2.gz QQMYFJRRJQHERY-GOSISDBHSA-N 2 2 341.436 3.254 10 0 EGAELP CC(C)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000351874375 535051865 /nfs/dbraw/zinc/05/18/65/535051865.db2.gz IUKKLOVDGIYUHF-UHFFFAOYSA-N 2 2 345.531 3.088 10 0 EGAELP CC(C)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000351874375 535051869 /nfs/dbraw/zinc/05/18/69/535051869.db2.gz IUKKLOVDGIYUHF-UHFFFAOYSA-N 2 2 345.531 3.088 10 0 EGAELP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000159003541 546933430 /nfs/dbraw/zinc/93/34/30/546933430.db2.gz IKNKUKCQEXVZDH-AWEZNQCLSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(Br)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000159003541 546933432 /nfs/dbraw/zinc/93/34/32/546933432.db2.gz IKNKUKCQEXVZDH-AWEZNQCLSA-N 2 2 338.224 3.449 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675765518 548976338 /nfs/dbraw/zinc/97/63/38/548976338.db2.gz JHGXZTSCDPYKPO-AAEUAGOBSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675765518 548976341 /nfs/dbraw/zinc/97/63/41/548976341.db2.gz JHGXZTSCDPYKPO-AAEUAGOBSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccsc1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044561 549624811 /nfs/dbraw/zinc/62/48/11/549624811.db2.gz PCUGISALRZQSDR-PXNSSMCTSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@@H](Cc1ccsc1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044561 549624814 /nfs/dbraw/zinc/62/48/14/549624814.db2.gz PCUGISALRZQSDR-PXNSSMCTSA-N 2 2 344.524 3.296 10 0 EGAELP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)[NH+]2CCCC2)c1 ZINC000684367757 550320323 /nfs/dbraw/zinc/32/03/23/550320323.db2.gz RUBBKNJQUSCWMP-HOJAQTOUSA-N 2 2 332.488 3.379 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379511 550321808 /nfs/dbraw/zinc/32/18/08/550321808.db2.gz STTHDHYUNOZFKJ-QZTJIDSGSA-N 2 2 338.536 3.347 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379511 550321810 /nfs/dbraw/zinc/32/18/10/550321810.db2.gz STTHDHYUNOZFKJ-QZTJIDSGSA-N 2 2 338.536 3.347 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000054241505 1291746717 /nfs/dbraw/zinc/74/67/17/1291746717.db2.gz REVRTRYQYWIXGQ-CZUORRHYSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000054241505 1291746720 /nfs/dbraw/zinc/74/67/20/1291746720.db2.gz REVRTRYQYWIXGQ-CZUORRHYSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000235116744 1296183144 /nfs/dbraw/zinc/18/31/44/1296183144.db2.gz YTYHMIQSQTXMAX-KBPBESRZSA-N 2 2 325.294 3.454 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC(C)C ZINC000237316850 1296234939 /nfs/dbraw/zinc/23/49/39/1296234939.db2.gz HJKSKPHDLPCFGR-MSOLQXFVSA-N 2 2 332.488 3.446 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC(C)C ZINC000237316850 1296234945 /nfs/dbraw/zinc/23/49/45/1296234945.db2.gz HJKSKPHDLPCFGR-MSOLQXFVSA-N 2 2 332.488 3.446 10 0 EGAELP c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000872025782 1296672547 /nfs/dbraw/zinc/67/25/47/1296672547.db2.gz SUVOGHPDFILLBG-HXUWFJFHSA-N 2 2 344.499 3.100 10 0 EGAELP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000872073914 1296719743 /nfs/dbraw/zinc/71/97/43/1296719743.db2.gz WXCIMSNBQBNQDK-GDBMZVCRSA-N 2 2 341.455 3.342 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131039 1296754097 /nfs/dbraw/zinc/75/40/97/1296754097.db2.gz VKMFCPYZHJAVDX-SWLSCSKDSA-N 2 2 343.393 3.004 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000388218548 1297599365 /nfs/dbraw/zinc/59/93/65/1297599365.db2.gz XWTGAAHJXZCZDR-NWDGAFQWSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000388218548 1297599372 /nfs/dbraw/zinc/59/93/72/1297599372.db2.gz XWTGAAHJXZCZDR-NWDGAFQWSA-N 2 2 327.266 3.017 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398079054 1297713564 /nfs/dbraw/zinc/71/35/64/1297713564.db2.gz GKGCCIAICJAQGG-GHTZIAJQSA-N 3 2 329.532 3.359 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398079054 1297713571 /nfs/dbraw/zinc/71/35/71/1297713571.db2.gz GKGCCIAICJAQGG-GHTZIAJQSA-N 3 2 329.532 3.359 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000702639903 1298194787 /nfs/dbraw/zinc/19/47/87/1298194787.db2.gz GGRCMDOOZOSCRG-FQEVSTJZSA-N 2 2 344.886 3.375 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000702639903 1298194796 /nfs/dbraw/zinc/19/47/96/1298194796.db2.gz GGRCMDOOZOSCRG-FQEVSTJZSA-N 2 2 344.886 3.375 10 0 EGAELP O[C@@]1(C[NH2+]Cc2cc(F)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000702572794 1298195174 /nfs/dbraw/zinc/19/51/74/1298195174.db2.gz JFPQUIKYRMMPEY-LJQANCHMSA-N 2 2 348.849 3.206 10 0 EGAELP O[C@@]1(C[NH2+]Cc2cc(F)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000702572794 1298195181 /nfs/dbraw/zinc/19/51/81/1298195181.db2.gz JFPQUIKYRMMPEY-LJQANCHMSA-N 2 2 348.849 3.206 10 0 EGAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000709311481 1298248298 /nfs/dbraw/zinc/24/82/98/1298248298.db2.gz VVKPMFIFHNTYMB-CVEARBPZSA-N 2 2 339.524 3.238 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883347631 1302406207 /nfs/dbraw/zinc/40/62/07/1302406207.db2.gz WFLKUURTGMYDAX-ICSRJNTNSA-N 2 2 341.499 3.485 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883347631 1302406211 /nfs/dbraw/zinc/40/62/11/1302406211.db2.gz WFLKUURTGMYDAX-ICSRJNTNSA-N 2 2 341.499 3.485 10 0 EGAELP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886004750 1303316305 /nfs/dbraw/zinc/31/63/05/1303316305.db2.gz ZWXPQFQSOLBWDO-WMZOPIPTSA-N 2 2 341.455 3.251 10 0 EGAELP c1cn2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920574 1305209603 /nfs/dbraw/zinc/20/96/03/1305209603.db2.gz HCNGQKTUPZPKED-MRXNPFEDSA-N 2 2 332.517 3.484 10 0 EGAELP c1cn2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920574 1305209605 /nfs/dbraw/zinc/20/96/05/1305209605.db2.gz HCNGQKTUPZPKED-MRXNPFEDSA-N 2 2 332.517 3.484 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747678 1309050135 /nfs/dbraw/zinc/05/01/35/1309050135.db2.gz LGJRGYPZUYWYPC-NRFANRHFSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747678 1309050144 /nfs/dbraw/zinc/05/01/44/1309050144.db2.gz LGJRGYPZUYWYPC-NRFANRHFSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747678 1309050147 /nfs/dbraw/zinc/05/01/47/1309050147.db2.gz LGJRGYPZUYWYPC-NRFANRHFSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747678 1309050159 /nfs/dbraw/zinc/05/01/59/1309050159.db2.gz LGJRGYPZUYWYPC-NRFANRHFSA-N 2 2 336.483 3.070 10 0 EGAELP COc1cc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC000895113197 1309196138 /nfs/dbraw/zinc/19/61/38/1309196138.db2.gz VAARCBFPCNGPMX-SZMVWBNQSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cnc1Br ZINC000929471678 1328606887 /nfs/dbraw/zinc/60/68/87/1328606887.db2.gz XSULAFFHYBDGJI-UHFFFAOYSA-N 2 2 340.309 3.457 10 0 EGAELP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cnc1Br ZINC000929471678 1328606893 /nfs/dbraw/zinc/60/68/93/1328606893.db2.gz XSULAFFHYBDGJI-UHFFFAOYSA-N 2 2 340.309 3.457 10 0 EGAELP CC[C@@H]1[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC000858253085 1328723509 /nfs/dbraw/zinc/72/35/09/1328723509.db2.gz FCVAQGIUUZWZPI-JKSUJKDBSA-N 2 2 348.491 3.025 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CN1C(=O)OC(C)(C)C ZINC000858285524 1328729619 /nfs/dbraw/zinc/72/96/19/1328729619.db2.gz YOXMNOVPKBANMM-GOEBONIOSA-N 2 2 348.491 3.025 10 0 EGAELP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nccnc3F)cc2)CC1 ZINC000858418849 1328757323 /nfs/dbraw/zinc/75/73/23/1328757323.db2.gz YIRIMZXTDMRTHE-UHFFFAOYSA-N 2 2 329.423 3.137 10 0 EGAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000930065030 1328776272 /nfs/dbraw/zinc/77/62/72/1328776272.db2.gz DTIRTUZDKGQZSI-DUXKGJEZSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000930065030 1328776276 /nfs/dbraw/zinc/77/62/76/1328776276.db2.gz DTIRTUZDKGQZSI-DUXKGJEZSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000930065030 1328776278 /nfs/dbraw/zinc/77/62/78/1328776278.db2.gz DTIRTUZDKGQZSI-DUXKGJEZSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000930065030 1328776281 /nfs/dbraw/zinc/77/62/81/1328776281.db2.gz DTIRTUZDKGQZSI-DUXKGJEZSA-N 2 2 344.547 3.017 10 0 EGAELP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000858504395 1328782684 /nfs/dbraw/zinc/78/26/84/1328782684.db2.gz QORHCMIBLSDTKR-PBHICJAKSA-N 2 2 325.412 3.175 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129370 1328792468 /nfs/dbraw/zinc/79/24/68/1328792468.db2.gz OQDDQCLRGFYJTC-GJZGRUSLSA-N 2 2 343.393 3.458 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924666336 1323102387 /nfs/dbraw/zinc/10/23/87/1323102387.db2.gz AHNKLSLWXLJRAL-LBKNJMOBSA-N 2 2 332.536 3.150 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924666336 1323102392 /nfs/dbraw/zinc/10/23/92/1323102392.db2.gz AHNKLSLWXLJRAL-LBKNJMOBSA-N 2 2 332.536 3.150 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc(C(F)(F)F)c1 ZINC000924755879 1323147002 /nfs/dbraw/zinc/14/70/02/1323147002.db2.gz NGHKJUGSVSAHPU-NSHDSACASA-N 2 2 336.423 3.264 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000925051140 1323257789 /nfs/dbraw/zinc/25/77/89/1323257789.db2.gz WHVZPBTUXASQSB-VQTJNVASSA-N 2 2 327.472 3.326 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000925051140 1323257795 /nfs/dbraw/zinc/25/77/95/1323257795.db2.gz WHVZPBTUXASQSB-VQTJNVASSA-N 2 2 327.472 3.326 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1-c1ccccn1 ZINC000925444801 1325152643 /nfs/dbraw/zinc/15/26/43/1325152643.db2.gz WWSLAQPVIPFXNO-WMZOPIPTSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1-c1ccccn1 ZINC000925444801 1325152647 /nfs/dbraw/zinc/15/26/47/1325152647.db2.gz WWSLAQPVIPFXNO-WMZOPIPTSA-N 2 2 342.512 3.354 10 0 EGAELP c1nc2ccccc2n1Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925532870 1325195258 /nfs/dbraw/zinc/19/52/58/1325195258.db2.gz VOSFTBANUGFFPJ-OAQYLSRUSA-N 2 2 346.478 3.459 10 0 EGAELP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925544409 1325200130 /nfs/dbraw/zinc/20/01/30/1325200130.db2.gz QYVRVTIIJQGBQH-HKBOAZHASA-N 3 2 341.543 3.060 10 0 EGAELP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000925579890 1325219822 /nfs/dbraw/zinc/21/98/22/1325219822.db2.gz HTUDFWOKLWGJLL-GFCCVEGCSA-N 2 2 349.784 3.007 10 0 EGAELP CC1(C)[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716831 1325268572 /nfs/dbraw/zinc/26/85/72/1325268572.db2.gz QRBPKXBXBOSDRF-NEPXVJNWSA-N 2 2 336.483 3.226 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCOC[C@@H]3C(C)C)cc2)CC1 ZINC000925728132 1325272496 /nfs/dbraw/zinc/27/24/96/1325272496.db2.gz BDKSAOLTJSWEQR-UXHICEINSA-N 2 2 331.504 3.302 10 0 EGAELP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785727 1325301944 /nfs/dbraw/zinc/30/19/44/1325301944.db2.gz VGRUKJLCZFNEII-OKYOBFRVSA-N 3 2 349.469 3.016 10 0 EGAELP 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CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706999 1330143482 /nfs/dbraw/zinc/14/34/82/1330143482.db2.gz RWIAFZYVDRAADB-VQIMIIECSA-N 2 2 349.906 3.142 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323224217 1387313209 /nfs/dbraw/zinc/31/32/09/1387313209.db2.gz BQJNBDXDSJKLEM-QGZVFWFLSA-N 2 2 328.460 3.027 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323224217 1387313210 /nfs/dbraw/zinc/31/32/10/1387313210.db2.gz BQJNBDXDSJKLEM-QGZVFWFLSA-N 2 2 328.460 3.027 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506712 1387655994 /nfs/dbraw/zinc/65/59/94/1387655994.db2.gz PYZUMTKMDMITCU-CRAIPNDOSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506712 1387655996 /nfs/dbraw/zinc/65/59/96/1387655996.db2.gz PYZUMTKMDMITCU-CRAIPNDOSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001326380838 1388171516 /nfs/dbraw/zinc/17/15/16/1388171516.db2.gz KQWJFZKFKHPKDY-IRXDYDNUSA-N 2 2 346.519 3.099 10 0 EGAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001265873323 1377170424 /nfs/dbraw/zinc/17/04/24/1377170424.db2.gz RJEFTPJCFUZOBN-HZPDHXFCSA-N 2 2 342.487 3.036 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735920 1377519717 /nfs/dbraw/zinc/51/97/17/1377519717.db2.gz PAYVEJVMDRBSGJ-HKUYNNGSSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735920 1377519720 /nfs/dbraw/zinc/51/97/20/1377519720.db2.gz PAYVEJVMDRBSGJ-HKUYNNGSSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001271542616 1377636908 /nfs/dbraw/zinc/63/69/08/1377636908.db2.gz ASNBNXOEQRMJQJ-QGZVFWFLSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001271542616 1377636914 /nfs/dbraw/zinc/63/69/14/1377636914.db2.gz ASNBNXOEQRMJQJ-QGZVFWFLSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC001275608844 1378148241 /nfs/dbraw/zinc/14/82/41/1378148241.db2.gz GYNKMUOKJBDLBN-CTWPCTMYSA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285861 1378216429 /nfs/dbraw/zinc/21/64/29/1378216429.db2.gz RGDWVKJQZSOIQF-MJGOQNOKSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285861 1378216435 /nfs/dbraw/zinc/21/64/35/1378216435.db2.gz RGDWVKJQZSOIQF-MJGOQNOKSA-N 2 2 346.519 3.091 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528537 1388549772 /nfs/dbraw/zinc/54/97/72/1388549772.db2.gz ADUBUOIDFAYQME-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528537 1388549773 /nfs/dbraw/zinc/54/97/73/1388549773.db2.gz ADUBUOIDFAYQME-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528537 1388549784 /nfs/dbraw/zinc/54/97/84/1388549784.db2.gz ADUBUOIDFAYQME-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528537 1388549787 /nfs/dbraw/zinc/54/97/87/1388549787.db2.gz ADUBUOIDFAYQME-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196937 1379590596 /nfs/dbraw/zinc/59/05/96/1379590596.db2.gz OJIIBGNDZKULAH-IAGOWNOFSA-N 2 2 342.487 3.259 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001284702430 1380117481 /nfs/dbraw/zinc/11/74/81/1380117481.db2.gz ORILCLMBJLOMDC-MRXNPFEDSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001328048649 1388653154 /nfs/dbraw/zinc/65/31/54/1388653154.db2.gz SEWLCPVITSFRQA-UHFFFAOYSA-N 2 2 346.519 3.202 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328622393 1388791649 /nfs/dbraw/zinc/79/16/49/1388791649.db2.gz ZDJRZKXZNVRLLT-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328622393 1388791656 /nfs/dbraw/zinc/79/16/56/1388791656.db2.gz ZDJRZKXZNVRLLT-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001302597305 1383759894 /nfs/dbraw/zinc/75/98/94/1383759894.db2.gz QKMMVAWTRUNFQG-WOJBJXKFSA-N 2 2 341.499 3.086 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001302597305 1383759896 /nfs/dbraw/zinc/75/98/96/1383759896.db2.gz QKMMVAWTRUNFQG-WOJBJXKFSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001302597305 1383759900 /nfs/dbraw/zinc/75/99/00/1383759900.db2.gz QKMMVAWTRUNFQG-WOJBJXKFSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001302597305 1383759903 /nfs/dbraw/zinc/75/99/03/1383759903.db2.gz QKMMVAWTRUNFQG-WOJBJXKFSA-N 2 2 341.499 3.086 10 0 EGAELP C[C@@H](COCc1ccccc1)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308169097 1384104452 /nfs/dbraw/zinc/10/44/52/1384104452.db2.gz YJFTVPCPTKAWRM-QGZVFWFLSA-N 2 2 327.472 3.452 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2)n1cc[nH+]c1 ZINC001317000434 1384758207 /nfs/dbraw/zinc/75/82/07/1384758207.db2.gz GCYVCDZBIKSZFG-IAGOWNOFSA-N 2 2 346.519 3.241 10 0 EGAELP COCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317426920 1385132447 /nfs/dbraw/zinc/13/24/47/1385132447.db2.gz KIDRLBWFGRWLHJ-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP COCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317426920 1385132448 /nfs/dbraw/zinc/13/24/48/1385132448.db2.gz KIDRLBWFGRWLHJ-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC[N@H+](CCCC(C)(C)C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317478333 1385174127 /nfs/dbraw/zinc/17/41/27/1385174127.db2.gz GIIIFVLXOVYEIR-UHFFFAOYSA-N 2 2 348.535 3.026 10 0 EGAELP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317478333 1385174130 /nfs/dbraw/zinc/17/41/30/1385174130.db2.gz GIIIFVLXOVYEIR-UHFFFAOYSA-N 2 2 348.535 3.026 10 0 EGAELP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317684406 1385394469 /nfs/dbraw/zinc/39/44/69/1385394469.db2.gz RFVQZHJHWIJNKH-HNNXBMFYSA-N 2 2 334.508 3.058 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317687850 1385399326 /nfs/dbraw/zinc/39/93/26/1385399326.db2.gz UMVSTAWRZCATAU-HUUCEWRRSA-N 2 2 342.487 3.439 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841316 1385527285 /nfs/dbraw/zinc/52/72/85/1385527285.db2.gz BNPXNYJQOMZYEI-APHBUQMISA-N 2 2 340.471 3.313 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841316 1385527286 /nfs/dbraw/zinc/52/72/86/1385527286.db2.gz BNPXNYJQOMZYEI-APHBUQMISA-N 2 2 340.471 3.313 10 0 EGAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1cccc(Cl)c1 ZINC001318228750 1385633023 /nfs/dbraw/zinc/63/30/23/1385633023.db2.gz PVLABINRKIRMHF-JLSDUUJJSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1cccc(Cl)c1 ZINC001318228750 1385633027 /nfs/dbraw/zinc/63/30/27/1385633027.db2.gz PVLABINRKIRMHF-JLSDUUJJSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001318228750 1385633044 /nfs/dbraw/zinc/63/30/44/1385633044.db2.gz PVLABINRKIRMHF-JLSDUUJJSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001318228750 1385633049 /nfs/dbraw/zinc/63/30/49/1385633049.db2.gz PVLABINRKIRMHF-JLSDUUJJSA-N 2 2 349.906 3.026 10 0 EGAELP CC1(C)CC(C[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3)CCCC2)C1 ZINC001319389380 1386098721 /nfs/dbraw/zinc/09/87/21/1386098721.db2.gz LGJHXPNTTRDQHS-UHFFFAOYSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001319413330 1386110480 /nfs/dbraw/zinc/11/04/80/1386110480.db2.gz YUYSXYIFRGSQGR-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001319559348 1386178468 /nfs/dbraw/zinc/17/84/68/1386178468.db2.gz DUUIWOWXCDXRSG-ZIAGYGMSSA-N 2 2 346.450 3.024 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319661413 1386241132 /nfs/dbraw/zinc/24/11/32/1386241132.db2.gz BHJRPJHUMRDPHC-SFHVURJKSA-N 2 2 348.535 3.352 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001319776588 1386292492 /nfs/dbraw/zinc/29/24/92/1386292492.db2.gz BUGMUUPOVQCGDF-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319790639 1386298328 /nfs/dbraw/zinc/29/83/28/1386298328.db2.gz LGZKCGIIDBFKSI-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806647 1386305803 /nfs/dbraw/zinc/30/58/03/1386305803.db2.gz GJKDTTWDGIMTQR-MSOLQXFVSA-N 2 2 346.519 3.110 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CC3CCCC3)C(C)C)ccn12 ZINC001319914784 1386386690 /nfs/dbraw/zinc/38/66/90/1386386690.db2.gz HAFQACFDTHWYAS-SFHVURJKSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320463091 1386616210 /nfs/dbraw/zinc/61/62/10/1386616210.db2.gz FCLNSRJONWPXGW-CQSZACIVSA-N 2 2 328.460 3.241 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001698659772 1406310494 /nfs/dbraw/zinc/31/04/94/1406310494.db2.gz DIYQFWUFZIOXLA-DNVCBOLYSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001698702945 1406345090 /nfs/dbraw/zinc/34/50/90/1406345090.db2.gz SECXQIHLESMMPI-UHFFFAOYSA-N 2 2 348.535 3.305 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001329342420 1389068852 /nfs/dbraw/zinc/06/88/52/1389068852.db2.gz ZGJIZGBMAAOVEP-OAHLLOKOSA-N 2 2 336.524 3.099 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001329342420 1389068861 /nfs/dbraw/zinc/06/88/61/1389068861.db2.gz ZGJIZGBMAAOVEP-OAHLLOKOSA-N 2 2 336.524 3.099 10 0 EGAELP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329954140 1389272958 /nfs/dbraw/zinc/27/29/58/1389272958.db2.gz SBUAUZCMUIAHQN-QGZVFWFLSA-N 2 2 334.508 3.202 10 0 EGAELP CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329954140 1389272959 /nfs/dbraw/zinc/27/29/59/1389272959.db2.gz SBUAUZCMUIAHQN-QGZVFWFLSA-N 2 2 334.508 3.202 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001330210861 1389343470 /nfs/dbraw/zinc/34/34/70/1389343470.db2.gz QSXDMUTVSHTQBN-QZTJIDSGSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001330210861 1389343474 /nfs/dbraw/zinc/34/34/74/1389343474.db2.gz QSXDMUTVSHTQBN-QZTJIDSGSA-N 2 2 346.519 3.097 10 0 EGAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001331615702 1389829924 /nfs/dbraw/zinc/82/99/24/1389829924.db2.gz MBBQGRUFSKGDIL-ZIAGYGMSSA-N 2 2 346.450 3.024 10 0 EGAELP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001331647096 1389846941 /nfs/dbraw/zinc/84/69/41/1389846941.db2.gz LYVZTCLMVLGMFM-RHSMWYFYSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331895898 1389901474 /nfs/dbraw/zinc/90/14/74/1389901474.db2.gz JBCUPSHMFPIGRR-UKRRQHHQSA-N 2 2 328.460 3.192 10 0 EGAELP CC(C)CC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332711934 1390165351 /nfs/dbraw/zinc/16/53/51/1390165351.db2.gz YJOHRWQCMDHTLZ-UHFFFAOYSA-N 2 2 330.476 3.391 10 0 EGAELP CC(C)CC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332711934 1390165354 /nfs/dbraw/zinc/16/53/54/1390165354.db2.gz YJOHRWQCMDHTLZ-UHFFFAOYSA-N 2 2 330.476 3.391 10 0 EGAELP CCCCC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001333071222 1390244821 /nfs/dbraw/zinc/24/48/21/1390244821.db2.gz SUZFNFKWJNURKS-UHFFFAOYSA-N 2 2 328.460 3.026 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001698802427 1406479368 /nfs/dbraw/zinc/47/93/68/1406479368.db2.gz HCGRLSGNMDAHPV-INIZCTEOSA-N 2 2 348.535 3.433 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001698802427 1406479370 /nfs/dbraw/zinc/47/93/70/1406479370.db2.gz HCGRLSGNMDAHPV-INIZCTEOSA-N 2 2 348.535 3.433 10 0 EGAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698832607 1406527394 /nfs/dbraw/zinc/52/73/94/1406527394.db2.gz HLDLPBVBXXSUEK-YXMGTMDOSA-N 2 2 348.450 3.326 10 0 EGAELP CCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479826593 1392414323 /nfs/dbraw/zinc/41/43/23/1392414323.db2.gz OANACCCLXMMTMP-IAGOWNOFSA-N 2 2 342.487 3.497 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189626 1392618944 /nfs/dbraw/zinc/61/89/44/1392618944.db2.gz PYQBDHCDKDMAFA-MSIWKICXSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189626 1392618946 /nfs/dbraw/zinc/61/89/46/1392618946.db2.gz PYQBDHCDKDMAFA-MSIWKICXSA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001480357262 1392703183 /nfs/dbraw/zinc/70/31/83/1392703183.db2.gz QMZDWFBVENEEKR-QGZVFWFLSA-N 2 2 334.508 3.070 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001480601501 1392815339 /nfs/dbraw/zinc/81/53/39/1392815339.db2.gz DIMJPRTWNCLGDO-QZTJIDSGSA-N 2 2 342.487 3.136 10 0 EGAELP CC[N@@H+](C/C=C/Cl)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001490337634 1393176244 /nfs/dbraw/zinc/17/62/44/1393176244.db2.gz JQHXZBBSEWYXKD-YCRREMRBSA-N 2 2 346.862 3.067 10 0 EGAELP CC[N@H+](C/C=C/Cl)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001490337634 1393176245 /nfs/dbraw/zinc/17/62/45/1393176245.db2.gz JQHXZBBSEWYXKD-YCRREMRBSA-N 2 2 346.862 3.067 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001481674580 1394442389 /nfs/dbraw/zinc/44/23/89/1394442389.db2.gz WHPHWWGKIMKZJD-ZMHWVXQFSA-N 2 2 344.503 3.112 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001481674580 1394442392 /nfs/dbraw/zinc/44/23/92/1394442392.db2.gz WHPHWWGKIMKZJD-ZMHWVXQFSA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001481730906 1394480024 /nfs/dbraw/zinc/48/00/24/1394480024.db2.gz MKLLYTOBDJZDFE-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001481730906 1394480029 /nfs/dbraw/zinc/48/00/29/1394480029.db2.gz MKLLYTOBDJZDFE-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001698954649 1406699849 /nfs/dbraw/zinc/69/98/49/1406699849.db2.gz VBKHADJIMSQEMU-MAUKXSAKSA-N 2 2 348.535 3.304 10 0 EGAELP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001482244161 1394840794 /nfs/dbraw/zinc/84/07/94/1394840794.db2.gz NOCCBIUJMBEUIH-IAGOWNOFSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001482244161 1394840796 /nfs/dbraw/zinc/84/07/96/1394840796.db2.gz NOCCBIUJMBEUIH-IAGOWNOFSA-N 2 2 344.503 3.018 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001482388452 1394948916 /nfs/dbraw/zinc/94/89/16/1394948916.db2.gz VVAJRGJRHMUPHC-QGZVFWFLSA-N 2 2 334.508 3.013 10 0 EGAELP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482450280 1395009128 /nfs/dbraw/zinc/00/91/28/1395009128.db2.gz LPNCVNGOMYENBB-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482450280 1395009136 /nfs/dbraw/zinc/00/91/36/1395009136.db2.gz LPNCVNGOMYENBB-KZNAEPCWSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484048375 1395212798 /nfs/dbraw/zinc/21/27/98/1395212798.db2.gz UQXIKMMAPPRJNX-QUCCMNQESA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484048375 1395212804 /nfs/dbraw/zinc/21/28/04/1395212804.db2.gz UQXIKMMAPPRJNX-QUCCMNQESA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170701 1395311419 /nfs/dbraw/zinc/31/14/19/1395311419.db2.gz WIKYRPXZASVBRD-XLIONFOSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170701 1395311420 /nfs/dbraw/zinc/31/14/20/1395311420.db2.gz WIKYRPXZASVBRD-XLIONFOSSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001484408401 1395375354 /nfs/dbraw/zinc/37/53/54/1395375354.db2.gz KUWBTKVPRGXTIH-CALCHBBNSA-N 2 2 340.471 3.147 10 0 EGAELP CCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001484408401 1395375359 /nfs/dbraw/zinc/37/53/59/1395375359.db2.gz KUWBTKVPRGXTIH-CALCHBBNSA-N 2 2 340.471 3.147 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]CC(C)C)CCCCC3)ccn12 ZINC001485450489 1395918845 /nfs/dbraw/zinc/91/88/45/1395918845.db2.gz JDRXPWPGVMZPNF-UHFFFAOYSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001485479610 1395960363 /nfs/dbraw/zinc/96/03/63/1395960363.db2.gz FMQPQHRECPUWGE-QGZVFWFLSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001485479610 1395960365 /nfs/dbraw/zinc/96/03/65/1395960365.db2.gz FMQPQHRECPUWGE-QGZVFWFLSA-N 2 2 334.508 3.070 10 0 EGAELP CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC001486238490 1396186706 /nfs/dbraw/zinc/18/67/06/1396186706.db2.gz PGYQPSUJQDGWDM-GOSISDBHSA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001492178539 1396313062 /nfs/dbraw/zinc/31/30/62/1396313062.db2.gz PEBWPZGKCAWMLK-KRWDZBQOSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)(C)CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001492178539 1396313063 /nfs/dbraw/zinc/31/30/63/1396313063.db2.gz PEBWPZGKCAWMLK-KRWDZBQOSA-N 2 2 334.508 3.070 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001690357349 1404491738 /nfs/dbraw/zinc/49/17/38/1404491738.db2.gz QYUNQZXYVYAKJP-YTQUADARSA-N 2 2 346.519 3.432 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690541929 1404627721 /nfs/dbraw/zinc/62/77/21/1404627721.db2.gz VUNNCVPSVDHFQW-NNZAOTTHSA-N 2 2 332.492 3.208 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2C)c(C)[nH+]1 ZINC001691403356 1405241183 /nfs/dbraw/zinc/24/11/83/1405241183.db2.gz GVXBOPKEJTWMKS-UHFFFAOYSA-N 2 2 325.456 3.177 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001692087510 1405766583 /nfs/dbraw/zinc/76/65/83/1405766583.db2.gz GHUFKZOMILHBIA-RJSUEEAMSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001692087510 1405766584 /nfs/dbraw/zinc/76/65/84/1405766584.db2.gz GHUFKZOMILHBIA-RJSUEEAMSA-N 2 2 346.519 3.161 10 0 EGAELP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001731997877 1428207730 /nfs/dbraw/zinc/20/77/30/1428207730.db2.gz UCELQWGWZQAEJS-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001731997877 1428207736 /nfs/dbraw/zinc/20/77/36/1428207736.db2.gz UCELQWGWZQAEJS-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCC(C)(C)C ZINC001732199917 1428450543 /nfs/dbraw/zinc/45/05/43/1428450543.db2.gz TVGHHCBJMDAVMC-MRXNPFEDSA-N 2 2 330.476 3.177 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001732276880 1428510193 /nfs/dbraw/zinc/51/01/93/1428510193.db2.gz NQIAAVGWVNUUCS-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001732276881 1428510333 /nfs/dbraw/zinc/51/03/33/1428510333.db2.gz NQIAAVGWVNUUCS-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732430824 1428577732 /nfs/dbraw/zinc/57/77/32/1428577732.db2.gz KXQAXKHSNWDHAP-MRXNPFEDSA-N 2 2 328.460 3.113 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001732490533 1428613424 /nfs/dbraw/zinc/61/34/24/1428613424.db2.gz MXXZKMMYPFZCKF-DOTOQJQBSA-N 2 2 342.487 3.439 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3C[NH2+]CCCC(C)C)ccn12 ZINC001699750029 1413158648 /nfs/dbraw/zinc/15/86/48/1413158648.db2.gz FUUITKANVDLHNF-SFHVURJKSA-N 2 2 342.487 3.273 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203545 1413648202 /nfs/dbraw/zinc/64/82/02/1413648202.db2.gz SLPLHYJGSVIIQW-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001700203545 1413648207 /nfs/dbraw/zinc/64/82/07/1413648207.db2.gz SLPLHYJGSVIIQW-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203545 1413648210 /nfs/dbraw/zinc/64/82/10/1413648210.db2.gz SLPLHYJGSVIIQW-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001700203545 1413648215 /nfs/dbraw/zinc/64/82/15/1413648215.db2.gz SLPLHYJGSVIIQW-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CCC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700287728 1413736231 /nfs/dbraw/zinc/73/62/31/1413736231.db2.gz ONJDMWYSYIONNN-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353217 1413849008 /nfs/dbraw/zinc/84/90/08/1413849008.db2.gz LLXZDFJRMAEEJS-YJBOKZPZSA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353217 1413849013 /nfs/dbraw/zinc/84/90/13/1413849013.db2.gz LLXZDFJRMAEEJS-YJBOKZPZSA-N 2 2 342.487 3.225 10 0 EGAELP Cc1cncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001700407503 1413945706 /nfs/dbraw/zinc/94/57/06/1413945706.db2.gz CSDGLCVPVRRSMT-JKSUJKDBSA-N 2 2 340.471 3.007 10 0 EGAELP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464471 1414068144 /nfs/dbraw/zinc/06/81/44/1414068144.db2.gz SRPDYHLJNBQGSY-LFAOLKIESA-N 2 2 328.460 3.049 10 0 EGAELP CC/C=C/CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464471 1414068150 /nfs/dbraw/zinc/06/81/50/1414068150.db2.gz SRPDYHLJNBQGSY-LFAOLKIESA-N 2 2 328.460 3.049 10 0 EGAELP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001700692274 1414344327 /nfs/dbraw/zinc/34/43/27/1414344327.db2.gz ZGBKECIRKOFERD-LSDHHAIUSA-N 2 2 348.878 3.172 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001700852960 1414500258 /nfs/dbraw/zinc/50/02/58/1414500258.db2.gz DRDIKECTGFZNDU-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001700863491 1414513473 /nfs/dbraw/zinc/51/34/73/1414513473.db2.gz ZVIKQRSJODXYJE-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700900757 1414555705 /nfs/dbraw/zinc/55/57/05/1414555705.db2.gz ZZHGHMVUOJWYOD-GDBMZVCRSA-N 2 2 328.460 3.097 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700977075 1414613595 /nfs/dbraw/zinc/61/35/95/1414613595.db2.gz GSAPZOQQZLHJJU-UHFFFAOYSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700977075 1414613597 /nfs/dbraw/zinc/61/35/97/1414613597.db2.gz GSAPZOQQZLHJJU-UHFFFAOYSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732706557 1428918470 /nfs/dbraw/zinc/91/84/70/1428918470.db2.gz PGVNTMCCXTWCRJ-GJZGRUSLSA-N 2 2 330.476 3.343 10 0 EGAELP CCN(CC[NH2+]C[C@H](C)CC(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732782769 1428968152 /nfs/dbraw/zinc/96/81/52/1428968152.db2.gz QLTRCWJGFQWRDI-OAHLLOKOSA-N 2 2 330.476 3.297 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001712998628 1417550911 /nfs/dbraw/zinc/55/09/11/1417550911.db2.gz GHKXZLPHRYDAHA-ZWKOTPCHSA-N 2 2 348.535 3.459 10 0 EGAELP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733052947 1429193485 /nfs/dbraw/zinc/19/34/85/1429193485.db2.gz GCGSPFIZAZZMGS-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733052947 1429193487 /nfs/dbraw/zinc/19/34/87/1429193487.db2.gz GCGSPFIZAZZMGS-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001713254075 1417850203 /nfs/dbraw/zinc/85/02/03/1417850203.db2.gz LKGIEEYXOFMWRY-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCCC[C@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001713254075 1417850207 /nfs/dbraw/zinc/85/02/07/1417850207.db2.gz LKGIEEYXOFMWRY-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001713265013 1417873231 /nfs/dbraw/zinc/87/32/31/1417873231.db2.gz OMJMZLYOFHNNTI-GOSISDBHSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713440006 1418073614 /nfs/dbraw/zinc/07/36/14/1418073614.db2.gz ZCAYIFDFZPACMT-QZTJIDSGSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713440006 1418073618 /nfs/dbraw/zinc/07/36/18/1418073618.db2.gz ZCAYIFDFZPACMT-QZTJIDSGSA-N 2 2 332.492 3.161 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713779501 1418595681 /nfs/dbraw/zinc/59/56/81/1418595681.db2.gz AIVGAKGKRIUPHA-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713779501 1418595683 /nfs/dbraw/zinc/59/56/83/1418595683.db2.gz AIVGAKGKRIUPHA-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001733176128 1429278058 /nfs/dbraw/zinc/27/80/58/1429278058.db2.gz HBPMZQUJHJHAJT-BEFAXECRSA-N 2 2 340.471 3.016 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC/C=C\c1ccccc1 ZINC001714247015 1419033586 /nfs/dbraw/zinc/03/35/86/1419033586.db2.gz ODGXVQQOCHHTEQ-GEZBDVBVSA-N 2 2 348.450 3.374 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001714856081 1419572176 /nfs/dbraw/zinc/57/21/76/1419572176.db2.gz NYOAXMCSWKTERA-HZPDHXFCSA-N 2 2 346.450 3.238 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C[C@H](F)CC)C1 ZINC001714856081 1419572177 /nfs/dbraw/zinc/57/21/77/1419572177.db2.gz NYOAXMCSWKTERA-HZPDHXFCSA-N 2 2 346.450 3.238 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715025938 1419757642 /nfs/dbraw/zinc/75/76/42/1419757642.db2.gz UDZPNSCPMREVEV-QZTJIDSGSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715025938 1419757645 /nfs/dbraw/zinc/75/76/45/1419757645.db2.gz UDZPNSCPMREVEV-QZTJIDSGSA-N 2 2 334.508 3.049 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001715027910 1419760569 /nfs/dbraw/zinc/76/05/69/1419760569.db2.gz OYCRLJUMKYTBLR-FUHWJXTLSA-N 2 2 348.535 3.334 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715048783 1419790427 /nfs/dbraw/zinc/79/04/27/1419790427.db2.gz XYXLUJUZJQICTK-AEFFLSMTSA-N 2 2 346.519 3.193 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001715048783 1419790430 /nfs/dbraw/zinc/79/04/30/1419790430.db2.gz XYXLUJUZJQICTK-AEFFLSMTSA-N 2 2 346.519 3.193 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001715305987 1420014893 /nfs/dbraw/zinc/01/48/93/1420014893.db2.gz HKWGWAYOLFRCFO-WBVHZDCISA-N 2 2 335.467 3.197 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715319011 1420027321 /nfs/dbraw/zinc/02/73/21/1420027321.db2.gz FGCSYHNQLMHNDG-DOTOQJQBSA-N 2 2 348.535 3.340 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001715342917 1420045263 /nfs/dbraw/zinc/04/52/63/1420045263.db2.gz BQHQGGROESFGTF-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001715372155 1420068225 /nfs/dbraw/zinc/06/82/25/1420068225.db2.gz NMRSHWNVBAMDED-UONOGXRCSA-N 2 2 346.450 3.024 10 0 EGAELP CC(C)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC1=CCCCC1 ZINC001715502560 1420185505 /nfs/dbraw/zinc/18/55/05/1420185505.db2.gz JQMKGUVTEGSYRX-AEFFLSMTSA-N 2 2 332.492 3.065 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001715998104 1420452112 /nfs/dbraw/zinc/45/21/12/1420452112.db2.gz QMALFMTYDGKKLM-INIZCTEOSA-N 2 2 344.503 3.106 10 0 EGAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)cc1C ZINC001716320372 1420603532 /nfs/dbraw/zinc/60/35/32/1420603532.db2.gz DDSLGZWWRUIUIH-ARJAWSKDSA-N 2 2 348.450 3.027 10 0 EGAELP 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/nfs/dbraw/zinc/11/83/21/1440118321.db2.gz XREJAXSZQNVLAB-IRXDYDNUSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946059 1440118557 /nfs/dbraw/zinc/11/85/57/1440118557.db2.gz XREJAXSZQNVLAB-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946059 1440118558 /nfs/dbraw/zinc/11/85/58/1440118558.db2.gz XREJAXSZQNVLAB-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098605 168310430 /nfs/dbraw/zinc/31/04/30/168310430.db2.gz CANIYRKTCLTEDU-RISCZKNCSA-N 2 2 339.468 3.445 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098605 168310433 /nfs/dbraw/zinc/31/04/33/168310433.db2.gz CANIYRKTCLTEDU-RISCZKNCSA-N 2 2 339.468 3.445 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000186989704 529760473 /nfs/dbraw/zinc/76/04/73/529760473.db2.gz KOXSONLHAWQGDM-QGZVFWFLSA-N 2 2 341.455 3.112 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000186989704 529760474 /nfs/dbraw/zinc/76/04/74/529760474.db2.gz KOXSONLHAWQGDM-QGZVFWFLSA-N 2 2 341.455 3.112 10 0 EGAELP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361046 282336356 /nfs/dbraw/zinc/33/63/56/282336356.db2.gz LJPKZKZOCSOKDR-OCCSQVGLSA-N 2 2 331.489 3.320 10 0 EGAELP Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361046 282336357 /nfs/dbraw/zinc/33/63/57/282336357.db2.gz LJPKZKZOCSOKDR-OCCSQVGLSA-N 2 2 331.489 3.320 10 0 EGAELP C[NH+](CC1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)CC1CCOCC1 ZINC000362183521 282394391 /nfs/dbraw/zinc/39/43/91/282394391.db2.gz SCRQQBFUPIYZOT-PMACEKPBSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](CC1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CCOCC1 ZINC000362183521 282394393 /nfs/dbraw/zinc/39/43/93/282394393.db2.gz SCRQQBFUPIYZOT-PMACEKPBSA-N 2 2 338.536 3.014 10 0 EGAELP COc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187032237 236099610 /nfs/dbraw/zinc/09/96/10/236099610.db2.gz SCRUYWMDPJWEAI-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187032237 236099612 /nfs/dbraw/zinc/09/96/12/236099612.db2.gz SCRUYWMDPJWEAI-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187032237 236099613 /nfs/dbraw/zinc/09/96/13/236099613.db2.gz SCRUYWMDPJWEAI-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187032237 236099615 /nfs/dbraw/zinc/09/96/15/236099615.db2.gz SCRUYWMDPJWEAI-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000070455929 202335216 /nfs/dbraw/zinc/33/52/16/202335216.db2.gz BDIQJQUXEYRUKT-ZDUSSCGKSA-N 2 2 336.361 3.262 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000130602171 223164305 /nfs/dbraw/zinc/16/43/05/223164305.db2.gz NVDBNYNELBUROM-MRXNPFEDSA-N 2 2 325.460 3.237 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000130602171 223164307 /nfs/dbraw/zinc/16/43/07/223164307.db2.gz NVDBNYNELBUROM-MRXNPFEDSA-N 2 2 325.460 3.237 10 0 EGAELP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000275751152 201286953 /nfs/dbraw/zinc/28/69/53/201286953.db2.gz QGMYRKNVKXNTEE-GOSISDBHSA-N 2 2 337.471 3.240 10 0 EGAELP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000275751152 201286955 /nfs/dbraw/zinc/28/69/55/201286955.db2.gz QGMYRKNVKXNTEE-GOSISDBHSA-N 2 2 337.471 3.240 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000377293480 169007524 /nfs/dbraw/zinc/00/75/24/169007524.db2.gz IYZLHPVEEDTIOG-HNNXBMFYSA-N 2 2 339.418 3.125 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000377293480 169007526 /nfs/dbraw/zinc/00/75/26/169007526.db2.gz IYZLHPVEEDTIOG-HNNXBMFYSA-N 2 2 339.418 3.125 10 0 EGAELP C[NH+]1CCC(CNC(=O)CC2(C)CCCC2)([NH+]2CCCCC2)CC1 ZINC000377403169 169020791 /nfs/dbraw/zinc/02/07/91/169020791.db2.gz ORHIAOWXQWYSKK-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000175252133 207108806 /nfs/dbraw/zinc/10/88/06/207108806.db2.gz XXCWLCQSNADXSU-UONOGXRCSA-N 2 2 332.473 3.180 10 0 EGAELP CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000175252133 207108808 /nfs/dbraw/zinc/10/88/08/207108808.db2.gz XXCWLCQSNADXSU-UONOGXRCSA-N 2 2 332.473 3.180 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267503931 251113768 /nfs/dbraw/zinc/11/37/68/251113768.db2.gz VQSPCWHSJVEMAA-KRWDZBQOSA-N 2 2 343.471 3.152 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177000361 207282877 /nfs/dbraw/zinc/28/28/77/207282877.db2.gz CXXLIEURGBFDMF-QGZVFWFLSA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177000361 207282879 /nfs/dbraw/zinc/28/28/79/207282879.db2.gz CXXLIEURGBFDMF-QGZVFWFLSA-N 2 2 347.528 3.378 10 0 EGAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000177589172 207360924 /nfs/dbraw/zinc/36/09/24/207360924.db2.gz YPZFYKBTCADRCI-MRXNPFEDSA-N 2 2 348.491 3.120 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736097 252185925 /nfs/dbraw/zinc/18/59/25/252185925.db2.gz VRFWNWLFYRLUMC-XLIONFOSSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736097 252185929 /nfs/dbraw/zinc/18/59/29/252185929.db2.gz VRFWNWLFYRLUMC-XLIONFOSSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000359620995 141388637 /nfs/dbraw/zinc/38/86/37/141388637.db2.gz NURIMKUNJCXSQP-AWEZNQCLSA-N 2 2 333.867 3.057 10 0 EGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728732 144097966 /nfs/dbraw/zinc/09/79/66/144097966.db2.gz XQKVEKFQJJLLSJ-RCMYXZNBSA-N 2 2 325.456 3.397 10 0 EGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728732 144097967 /nfs/dbraw/zinc/09/79/67/144097967.db2.gz XQKVEKFQJJLLSJ-RCMYXZNBSA-N 2 2 325.456 3.397 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C[C@H]1n1cc[nH+]c1 ZINC000351775976 144304970 /nfs/dbraw/zinc/30/49/70/144304970.db2.gz WWKMQSOTDAXZKG-OXQOHEQNSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C[C@H]1n1cc[nH+]c1 ZINC000351775976 144304971 /nfs/dbraw/zinc/30/49/71/144304971.db2.gz WWKMQSOTDAXZKG-OXQOHEQNSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1CC(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H](C)C1 ZINC000180791598 299710736 /nfs/dbraw/zinc/71/07/36/299710736.db2.gz RACMMTTZSSKKOR-QZTJIDSGSA-N 2 2 349.563 3.125 10 0 EGAELP COc1cc(C[N@H+](CC[NH3+])CCc2ccccc2)ccc1SC ZINC000261716071 286217706 /nfs/dbraw/zinc/21/77/06/286217706.db2.gz HUPLJKBMYVKODS-UHFFFAOYSA-N 2 2 330.497 3.421 10 0 EGAELP COc1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)ccc1SC ZINC000261716071 286217707 /nfs/dbraw/zinc/21/77/07/286217707.db2.gz HUPLJKBMYVKODS-UHFFFAOYSA-N 2 2 330.497 3.421 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3c3ccco3)c2cc1C ZINC000116287636 152055222 /nfs/dbraw/zinc/05/52/22/152055222.db2.gz OTMMWRKKZYDWNB-FUHWJXTLSA-N 2 2 339.439 3.444 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H]3c3ccco3)c2cc1C ZINC000116287636 152055227 /nfs/dbraw/zinc/05/52/27/152055227.db2.gz OTMMWRKKZYDWNB-FUHWJXTLSA-N 2 2 339.439 3.444 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C12CCOCC2 ZINC000186321547 286395302 /nfs/dbraw/zinc/39/53/02/286395302.db2.gz GJKUUULWXJOMRR-FFGOWVMKSA-N 2 2 346.515 3.242 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000327315261 154186511 /nfs/dbraw/zinc/18/65/11/154186511.db2.gz SFSCYNICLHTHPN-CRAIPNDOSA-N 2 2 335.407 3.363 10 0 EGAELP O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000348870353 156268714 /nfs/dbraw/zinc/26/87/14/156268714.db2.gz SIEXSNSWGKOBSL-CQSZACIVSA-N 2 2 345.390 3.213 10 0 EGAELP O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000348870353 156268717 /nfs/dbraw/zinc/26/87/17/156268717.db2.gz SIEXSNSWGKOBSL-CQSZACIVSA-N 2 2 345.390 3.213 10 0 EGAELP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000348893271 156280018 /nfs/dbraw/zinc/28/00/18/156280018.db2.gz LDEBJQMHRUWLLR-UHFFFAOYSA-N 2 2 340.496 3.498 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000372424654 157328480 /nfs/dbraw/zinc/32/84/80/157328480.db2.gz GXTSPSCNUGZYAC-KRWDZBQOSA-N 2 2 336.443 3.204 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000093564063 162015635 /nfs/dbraw/zinc/01/56/35/162015635.db2.gz LJTOEFGQRDXXJC-MRXNPFEDSA-N 2 2 332.517 3.463 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000093564063 162015638 /nfs/dbraw/zinc/01/56/38/162015638.db2.gz LJTOEFGQRDXXJC-MRXNPFEDSA-N 2 2 332.517 3.463 10 0 EGAELP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000112074838 162162557 /nfs/dbraw/zinc/16/25/57/162162557.db2.gz RNXSLUBWNNWXOI-UHFFFAOYSA-N 2 2 337.471 3.159 10 0 EGAELP Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000112080630 162163027 /nfs/dbraw/zinc/16/30/27/162163027.db2.gz TVKZCQPKLUPXRQ-UHFFFAOYSA-N 2 2 348.454 3.040 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cncc(F)c1 ZINC000126274028 162298227 /nfs/dbraw/zinc/29/82/27/162298227.db2.gz DVNXCCHBJZASCL-VCBZYWHSSA-N 2 2 328.435 3.177 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cncc(F)c1 ZINC000126274028 162298230 /nfs/dbraw/zinc/29/82/30/162298230.db2.gz DVNXCCHBJZASCL-VCBZYWHSSA-N 2 2 328.435 3.177 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248821113 163037030 /nfs/dbraw/zinc/03/70/30/163037030.db2.gz FRLUYPNKNAHAHK-FUHWJXTLSA-N 2 2 327.476 3.206 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248821113 163037034 /nfs/dbraw/zinc/03/70/34/163037034.db2.gz FRLUYPNKNAHAHK-FUHWJXTLSA-N 2 2 327.476 3.206 10 0 EGAELP CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344251494 164137687 /nfs/dbraw/zinc/13/76/87/164137687.db2.gz ZMMHJIYVGLLDIH-CQSZACIVSA-N 2 2 346.500 3.479 10 0 EGAELP CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346162506 164354113 /nfs/dbraw/zinc/35/41/13/164354113.db2.gz HISYOVJRZHLMQF-HNNXBMFYSA-N 2 2 346.500 3.062 10 0 EGAELP CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346162506 164354114 /nfs/dbraw/zinc/35/41/14/164354114.db2.gz HISYOVJRZHLMQF-HNNXBMFYSA-N 2 2 346.500 3.062 10 0 EGAELP COC(=O)c1cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)oc1C ZINC000346176495 164357386 /nfs/dbraw/zinc/35/73/86/164357386.db2.gz OGRNYHHUJXCDFQ-UHFFFAOYSA-N 2 2 345.424 3.254 10 0 EGAELP COC(=O)c1cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)oc1C ZINC000346176495 164357388 /nfs/dbraw/zinc/35/73/88/164357388.db2.gz OGRNYHHUJXCDFQ-UHFFFAOYSA-N 2 2 345.424 3.254 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354954117 166072425 /nfs/dbraw/zinc/07/24/25/166072425.db2.gz SIMFJIMHKTWYSG-AEFFLSMTSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354954117 166072428 /nfs/dbraw/zinc/07/24/28/166072428.db2.gz SIMFJIMHKTWYSG-AEFFLSMTSA-N 2 2 340.471 3.026 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000355646211 166271295 /nfs/dbraw/zinc/27/12/95/166271295.db2.gz FIUUSALVQHQTNS-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP COc1c[nH+]ccc1N1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000360256049 167283443 /nfs/dbraw/zinc/28/34/43/167283443.db2.gz DSVKDMIGWKDAEJ-UHFFFAOYSA-N 2 2 338.386 3.104 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2n1C ZINC000366379047 168113555 /nfs/dbraw/zinc/11/35/55/168113555.db2.gz UBVZDNDFZGBBIM-AZUAARDMSA-N 2 2 348.450 3.057 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2n1C ZINC000366379047 168113557 /nfs/dbraw/zinc/11/35/57/168113557.db2.gz UBVZDNDFZGBBIM-AZUAARDMSA-N 2 2 348.450 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ULNBYHMALZKSJC-HOTGVXAUSA-N 2 2 346.849 3.299 10 0 EGAELP CCOc1cc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)ccc1OC(F)F ZINC000414671118 309094934 /nfs/dbraw/zinc/09/49/34/309094934.db2.gz FIICSSMTLRKLPA-AWEZNQCLSA-N 2 2 330.419 3.492 10 0 EGAELP CCOc1cc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)ccc1OC(F)F ZINC000414671118 309094935 /nfs/dbraw/zinc/09/49/35/309094935.db2.gz FIICSSMTLRKLPA-AWEZNQCLSA-N 2 2 330.419 3.492 10 0 EGAELP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414792888 309101573 /nfs/dbraw/zinc/10/15/73/309101573.db2.gz RWRPQRMILNFDCF-KSSFIOAISA-N 2 2 342.487 3.235 10 0 EGAELP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414792888 309101574 /nfs/dbraw/zinc/10/15/74/309101574.db2.gz RWRPQRMILNFDCF-KSSFIOAISA-N 2 2 342.487 3.235 10 0 EGAELP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(SC)cc1OC ZINC000414824128 309103894 /nfs/dbraw/zinc/10/38/94/309103894.db2.gz AGXLEZWROOXQDP-HNNXBMFYSA-N 2 2 332.469 3.215 10 0 EGAELP 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C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000423229919 309391482 /nfs/dbraw/zinc/39/14/82/309391482.db2.gz IGUWNPWTXPXBEA-NSHDSACASA-N 2 2 336.361 3.082 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000449217710 310045362 /nfs/dbraw/zinc/04/53/62/310045362.db2.gz BCTCOKPDFXHXDU-CQSZACIVSA-N 2 2 327.241 3.261 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000449217654 310045381 /nfs/dbraw/zinc/04/53/81/310045381.db2.gz ATUUKJSUKIHCSB-IBGZPJMESA-N 3 2 329.532 3.158 10 0 EGAELP OC1CCC2(CC1)CC[NH+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000449369166 310057002 /nfs/dbraw/zinc/05/70/02/310057002.db2.gz RCWVOJWTRLZQGH-UHFFFAOYSA-N 2 2 331.485 3.451 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452343 310063214 /nfs/dbraw/zinc/06/32/14/310063214.db2.gz KMVIEPDUIMVZCO-FGTMMUONSA-N 2 2 331.485 3.449 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452343 310063215 /nfs/dbraw/zinc/06/32/15/310063215.db2.gz KMVIEPDUIMVZCO-FGTMMUONSA-N 2 2 331.485 3.449 10 0 EGAELP COCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332933 310271527 /nfs/dbraw/zinc/27/15/27/310271527.db2.gz CVECDPXASQVTQN-UHOFOFEASA-N 2 2 330.394 3.323 10 0 EGAELP COCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332933 310271528 /nfs/dbraw/zinc/27/15/28/310271528.db2.gz CVECDPXASQVTQN-UHOFOFEASA-N 2 2 330.394 3.323 10 0 EGAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059154 311162775 /nfs/dbraw/zinc/16/27/75/311162775.db2.gz IDHSBZGJHYIKCH-ZCNNSNEGSA-N 2 2 349.563 3.079 10 0 EGAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059154 311162776 /nfs/dbraw/zinc/16/27/76/311162776.db2.gz IDHSBZGJHYIKCH-ZCNNSNEGSA-N 2 2 349.563 3.079 10 0 EGAELP C[C@@H](CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794362 312246296 /nfs/dbraw/zinc/24/62/96/312246296.db2.gz ZSZOYPIGMSJOIT-FXAWDEMLSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794362 312246297 /nfs/dbraw/zinc/24/62/97/312246297.db2.gz ZSZOYPIGMSJOIT-FXAWDEMLSA-N 2 2 340.471 3.005 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000038098193 453940012 /nfs/dbraw/zinc/94/00/12/453940012.db2.gz NONSLHGXYBSWEN-HNNXBMFYSA-N 2 2 339.277 3.347 10 0 EGAELP Cc1c[nH+]cn1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000529182668 313268889 /nfs/dbraw/zinc/26/88/89/313268889.db2.gz USVLXOSNGCRYAL-UHFFFAOYSA-N 2 2 335.411 3.030 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000529668270 313382400 /nfs/dbraw/zinc/38/24/00/313382400.db2.gz FRRITXOOTCVGAP-XLIONFOSSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000529668270 313382403 /nfs/dbraw/zinc/38/24/03/313382403.db2.gz FRRITXOOTCVGAP-XLIONFOSSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990196 314222550 /nfs/dbraw/zinc/22/25/50/314222550.db2.gz GSRQYWCRMBPGHP-WBMJQRKESA-N 2 2 328.378 3.157 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990196 314222554 /nfs/dbraw/zinc/22/25/54/314222554.db2.gz GSRQYWCRMBPGHP-WBMJQRKESA-N 2 2 328.378 3.157 10 0 EGAELP CCC[C@H](C)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000538608256 314257468 /nfs/dbraw/zinc/25/74/68/314257468.db2.gz FOFBVLKZMWHDAA-HNNXBMFYSA-N 2 2 330.476 3.286 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936598 315111253 /nfs/dbraw/zinc/11/12/53/315111253.db2.gz NCOUYANSRUQBIG-IINYFYTJSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936598 315111255 /nfs/dbraw/zinc/11/12/55/315111255.db2.gz NCOUYANSRUQBIG-IINYFYTJSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552230559 315207799 /nfs/dbraw/zinc/20/77/99/315207799.db2.gz KXMPOCUNDCHYMY-CWQOZTLDSA-N 2 2 344.503 3.182 10 0 EGAELP C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552230559 315207800 /nfs/dbraw/zinc/20/78/00/315207800.db2.gz KXMPOCUNDCHYMY-CWQOZTLDSA-N 2 2 344.503 3.182 10 0 EGAELP COc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000093644017 454726988 /nfs/dbraw/zinc/72/69/88/454726988.db2.gz MVGVNAGURPADMF-MNOVXSKESA-N 2 2 347.322 3.434 10 0 EGAELP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)c(F)c1 ZINC000564434003 316151859 /nfs/dbraw/zinc/15/18/59/316151859.db2.gz LOSZJTFRNWULAM-AUUYWEPGSA-N 2 2 340.377 3.319 10 0 EGAELP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000564434003 316151861 /nfs/dbraw/zinc/15/18/61/316151861.db2.gz LOSZJTFRNWULAM-AUUYWEPGSA-N 2 2 340.377 3.319 10 0 EGAELP C[NH+](C)CCCOC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000564893502 316228074 /nfs/dbraw/zinc/22/80/74/316228074.db2.gz MLDPJJXKPVHBLW-UHFFFAOYSA-N 2 2 331.435 3.311 10 0 EGAELP Cc1cccc2[nH+]cc(CNc3cc[nH+]c(C)c3Br)n21 ZINC000571376985 317189682 /nfs/dbraw/zinc/18/96/82/317189682.db2.gz ZRUPSJOZVGRUCE-UHFFFAOYSA-N 2 2 331.217 3.143 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000298200216 456389328 /nfs/dbraw/zinc/38/93/28/456389328.db2.gz XUQKQDUACMWJMU-HNNXBMFYSA-N 2 2 348.288 3.290 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000298200216 456389338 /nfs/dbraw/zinc/38/93/38/456389338.db2.gz XUQKQDUACMWJMU-HNNXBMFYSA-N 2 2 348.288 3.290 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000183292462 323605398 /nfs/dbraw/zinc/60/53/98/323605398.db2.gz ALORNMLDGLOVKL-STQMWFEESA-N 2 2 347.413 3.116 10 0 EGAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381630821 324246475 /nfs/dbraw/zinc/24/64/75/324246475.db2.gz VMFNURUMODFNEY-HZPDHXFCSA-N 2 2 339.524 3.096 10 0 EGAELP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000527657086 324397568 /nfs/dbraw/zinc/39/75/68/324397568.db2.gz HYOBFJMRDCPMHF-GOSISDBHSA-N 2 2 343.902 3.342 10 0 EGAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000527657086 324397574 /nfs/dbraw/zinc/39/75/74/324397574.db2.gz HYOBFJMRDCPMHF-GOSISDBHSA-N 2 2 343.902 3.342 10 0 EGAELP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000580075065 325199876 /nfs/dbraw/zinc/19/98/76/325199876.db2.gz SZIRONKKTPYFCC-OAHLLOKOSA-N 2 2 327.241 3.164 10 0 EGAELP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000580075065 325199880 /nfs/dbraw/zinc/19/98/80/325199880.db2.gz SZIRONKKTPYFCC-OAHLLOKOSA-N 2 2 327.241 3.164 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892096 325306227 /nfs/dbraw/zinc/30/62/27/325306227.db2.gz BZZHEDADLGOCGX-QFBILLFUSA-N 2 2 338.499 3.436 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892096 325306231 /nfs/dbraw/zinc/30/62/31/325306231.db2.gz BZZHEDADLGOCGX-QFBILLFUSA-N 2 2 338.499 3.436 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077201 458396139 /nfs/dbraw/zinc/39/61/39/458396139.db2.gz KZSDXAOBYBXTFJ-XNIJJKJLSA-N 2 2 341.268 3.374 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077201 458396140 /nfs/dbraw/zinc/39/61/40/458396140.db2.gz KZSDXAOBYBXTFJ-XNIJJKJLSA-N 2 2 341.268 3.374 10 0 EGAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917914 455253524 /nfs/dbraw/zinc/25/35/24/455253524.db2.gz IAFCVGQQAMDWCN-SJORKVTESA-N 2 2 342.487 3.416 10 0 EGAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000623470862 460567345 /nfs/dbraw/zinc/56/73/45/460567345.db2.gz GDFWBHVGMOJLNS-LJQANCHMSA-N 2 2 332.875 3.409 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183600914 455310103 /nfs/dbraw/zinc/31/01/03/455310103.db2.gz FJFVPFPNNZQSKO-AWEZNQCLSA-N 2 2 349.438 3.133 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631888900 460589031 /nfs/dbraw/zinc/58/90/31/460589031.db2.gz CWNYMSPTOIFQRH-CRAIPNDOSA-N 2 2 343.496 3.393 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631888900 460589037 /nfs/dbraw/zinc/58/90/37/460589037.db2.gz CWNYMSPTOIFQRH-CRAIPNDOSA-N 2 2 343.496 3.393 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245683333 455355590 /nfs/dbraw/zinc/35/55/90/455355590.db2.gz ACEWDKQPNLWRDV-RDTXWAMCSA-N 2 2 339.418 3.495 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245683333 455355594 /nfs/dbraw/zinc/35/55/94/455355594.db2.gz ACEWDKQPNLWRDV-RDTXWAMCSA-N 2 2 339.418 3.495 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779273 455378898 /nfs/dbraw/zinc/37/88/98/455378898.db2.gz UAOQNXCFXRPAAH-ZFWWWQNUSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779273 455378900 /nfs/dbraw/zinc/37/89/00/455378900.db2.gz UAOQNXCFXRPAAH-ZFWWWQNUSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779273 455378902 /nfs/dbraw/zinc/37/89/02/455378902.db2.gz UAOQNXCFXRPAAH-ZFWWWQNUSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779273 455378903 /nfs/dbraw/zinc/37/89/03/455378903.db2.gz UAOQNXCFXRPAAH-ZFWWWQNUSA-N 2 2 342.430 3.459 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077876 455422611 /nfs/dbraw/zinc/42/26/11/455422611.db2.gz ZCKFOROGVMKYIP-IRXDYDNUSA-N 2 2 348.454 3.157 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077876 455422612 /nfs/dbraw/zinc/42/26/12/455422612.db2.gz ZCKFOROGVMKYIP-IRXDYDNUSA-N 2 2 348.454 3.157 10 0 EGAELP c1cn(-c2ccc(C[N@H+](Cc3cccnc3)C[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000071911885 454254820 /nfs/dbraw/zinc/25/48/20/454254820.db2.gz HIINBSFWAWTXQS-NRFANRHFSA-N 2 2 348.450 3.449 10 0 EGAELP c1cn(-c2ccc(C[N@@H+](Cc3cccnc3)C[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000071911885 454254823 /nfs/dbraw/zinc/25/48/23/454254823.db2.gz HIINBSFWAWTXQS-NRFANRHFSA-N 2 2 348.450 3.449 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1COc2ccccc21 ZINC000090845496 454343969 /nfs/dbraw/zinc/34/39/69/454343969.db2.gz BMEBSWUFGYDMRN-JXFKEZNVSA-N 2 2 337.467 3.200 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461505 454419654 /nfs/dbraw/zinc/41/96/54/454419654.db2.gz XEVFZPFNPXCSKM-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461505 454419661 /nfs/dbraw/zinc/41/96/61/454419661.db2.gz XEVFZPFNPXCSKM-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461505 454419668 /nfs/dbraw/zinc/41/96/68/454419668.db2.gz XEVFZPFNPXCSKM-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461505 454419672 /nfs/dbraw/zinc/41/96/72/454419672.db2.gz XEVFZPFNPXCSKM-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP Brc1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134327180 454529049 /nfs/dbraw/zinc/52/90/49/454529049.db2.gz JOWWAGGYZZXLIB-UHFFFAOYSA-N 2 2 338.293 3.152 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000122942150 454584914 /nfs/dbraw/zinc/58/49/14/454584914.db2.gz ALCGRYZRVBMHRI-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000122942150 454584917 /nfs/dbraw/zinc/58/49/17/454584917.db2.gz ALCGRYZRVBMHRI-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000074772711 454632167 /nfs/dbraw/zinc/63/21/67/454632167.db2.gz RMHHOQYKNKHMTN-QGZVFWFLSA-N 2 2 337.471 3.015 10 0 EGAELP Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000074772711 454632175 /nfs/dbraw/zinc/63/21/75/454632175.db2.gz RMHHOQYKNKHMTN-QGZVFWFLSA-N 2 2 337.471 3.015 10 0 EGAELP COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)co2)cc1 ZINC000123744866 454671486 /nfs/dbraw/zinc/67/14/86/454671486.db2.gz UYZDWMFNQREOKA-WMLDXEAASA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)co2)cc1 ZINC000123744866 454671492 /nfs/dbraw/zinc/67/14/92/454671492.db2.gz UYZDWMFNQREOKA-WMLDXEAASA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000123744866 454671500 /nfs/dbraw/zinc/67/15/00/454671500.db2.gz UYZDWMFNQREOKA-WMLDXEAASA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000123744866 454671506 /nfs/dbraw/zinc/67/15/06/454671506.db2.gz UYZDWMFNQREOKA-WMLDXEAASA-N 2 2 329.444 3.265 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123936448 454688726 /nfs/dbraw/zinc/68/87/26/454688726.db2.gz XFXDHXDEJKUYPT-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123936448 454688730 /nfs/dbraw/zinc/68/87/30/454688730.db2.gz XFXDHXDEJKUYPT-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936448 454688735 /nfs/dbraw/zinc/68/87/35/454688735.db2.gz XFXDHXDEJKUYPT-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936448 454688737 /nfs/dbraw/zinc/68/87/37/454688737.db2.gz XFXDHXDEJKUYPT-SWLSCSKDSA-N 2 2 343.393 3.058 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643769 454725799 /nfs/dbraw/zinc/72/57/99/454725799.db2.gz HVFHSCKMMACLAR-HIFRSBDPSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643769 454725807 /nfs/dbraw/zinc/72/58/07/454725807.db2.gz HVFHSCKMMACLAR-HIFRSBDPSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643769 454725811 /nfs/dbraw/zinc/72/58/11/454725811.db2.gz HVFHSCKMMACLAR-HIFRSBDPSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643769 454725816 /nfs/dbraw/zinc/72/58/16/454725816.db2.gz HVFHSCKMMACLAR-HIFRSBDPSA-N 2 2 338.517 3.340 10 0 EGAELP COc1sc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000093644017 454726985 /nfs/dbraw/zinc/72/69/85/454726985.db2.gz MVGVNAGURPADMF-MNOVXSKESA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000093644017 454726981 /nfs/dbraw/zinc/72/69/81/454726981.db2.gz MVGVNAGURPADMF-MNOVXSKESA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000093644017 454726983 /nfs/dbraw/zinc/72/69/83/454726983.db2.gz MVGVNAGURPADMF-MNOVXSKESA-N 2 2 347.322 3.434 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000109999251 454839918 /nfs/dbraw/zinc/83/99/18/454839918.db2.gz LNGRENYGEZFSAB-NRFANRHFSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCCc1ccccc1 ZINC000109999251 454839921 /nfs/dbraw/zinc/83/99/21/454839921.db2.gz LNGRENYGEZFSAB-NRFANRHFSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](CCCc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000109999251 454839923 /nfs/dbraw/zinc/83/99/23/454839923.db2.gz LNGRENYGEZFSAB-NRFANRHFSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](CCCc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000109999251 454839926 /nfs/dbraw/zinc/83/99/26/454839926.db2.gz LNGRENYGEZFSAB-NRFANRHFSA-N 2 2 326.484 3.044 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000163376281 454843082 /nfs/dbraw/zinc/84/30/82/454843082.db2.gz JMUZUEBMKTXSPZ-ZIAGYGMSSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000163376281 454843085 /nfs/dbraw/zinc/84/30/85/454843085.db2.gz JMUZUEBMKTXSPZ-ZIAGYGMSSA-N 2 2 330.394 3.467 10 0 EGAELP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396978 455483444 /nfs/dbraw/zinc/48/34/44/455483444.db2.gz RIMJYHZSNSXTKW-PKOBYXMFSA-N 2 2 346.519 3.027 10 0 EGAELP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396978 455483450 /nfs/dbraw/zinc/48/34/50/455483450.db2.gz RIMJYHZSNSXTKW-PKOBYXMFSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396978 455483453 /nfs/dbraw/zinc/48/34/53/455483453.db2.gz RIMJYHZSNSXTKW-PKOBYXMFSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396978 455483459 /nfs/dbraw/zinc/48/34/59/455483459.db2.gz RIMJYHZSNSXTKW-PKOBYXMFSA-N 2 2 346.519 3.027 10 0 EGAELP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151264203 454960691 /nfs/dbraw/zinc/96/06/91/454960691.db2.gz PDFMJEXARJJRPU-ZFWWWQNUSA-N 2 2 325.522 3.072 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127741193 454993301 /nfs/dbraw/zinc/99/33/01/454993301.db2.gz IBPBFMOAMJRPKX-UHFFFAOYSA-N 2 2 328.435 3.276 10 0 EGAELP c1nn2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000179415643 455046391 /nfs/dbraw/zinc/04/63/91/455046391.db2.gz IPLGPKCPSJERBT-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1nn2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000179415643 455046393 /nfs/dbraw/zinc/04/63/93/455046393.db2.gz IPLGPKCPSJERBT-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn2c(cccc2C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000180031376 455119759 /nfs/dbraw/zinc/11/97/59/455119759.db2.gz UBSBFGKDVADYHS-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000180031376 455119761 /nfs/dbraw/zinc/11/97/61/455119761.db2.gz UBSBFGKDVADYHS-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn2c(cccc2CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000180031376 455119765 /nfs/dbraw/zinc/11/97/65/455119765.db2.gz UBSBFGKDVADYHS-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1O ZINC000180144582 455138904 /nfs/dbraw/zinc/13/89/04/455138904.db2.gz UREKOMZNISZCKE-SFHVURJKSA-N 2 2 326.440 3.155 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1O ZINC000180144582 455138908 /nfs/dbraw/zinc/13/89/08/455138908.db2.gz UREKOMZNISZCKE-SFHVURJKSA-N 2 2 326.440 3.155 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158520703 455310006 /nfs/dbraw/zinc/31/00/06/455310006.db2.gz YTYPGYVAAXCGLP-DJIMGWMZSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158520703 455310008 /nfs/dbraw/zinc/31/00/08/455310008.db2.gz YTYPGYVAAXCGLP-DJIMGWMZSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158520703 455310012 /nfs/dbraw/zinc/31/00/12/455310012.db2.gz YTYPGYVAAXCGLP-DJIMGWMZSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158520703 455310015 /nfs/dbraw/zinc/31/00/15/455310015.db2.gz YTYPGYVAAXCGLP-DJIMGWMZSA-N 2 2 326.444 3.214 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000190472589 455326596 /nfs/dbraw/zinc/32/65/96/455326596.db2.gz TUOLOWCMGGIQKS-IBGZPJMESA-N 2 2 349.478 3.311 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000190472589 455326602 /nfs/dbraw/zinc/32/66/02/455326602.db2.gz TUOLOWCMGGIQKS-IBGZPJMESA-N 2 2 349.478 3.311 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000190472589 455326607 /nfs/dbraw/zinc/32/66/07/455326607.db2.gz TUOLOWCMGGIQKS-IBGZPJMESA-N 2 2 349.478 3.311 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000190472589 455326612 /nfs/dbraw/zinc/32/66/12/455326612.db2.gz TUOLOWCMGGIQKS-IBGZPJMESA-N 2 2 349.478 3.311 10 0 EGAELP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068119 455436049 /nfs/dbraw/zinc/43/60/49/455436049.db2.gz QDJDGJMUERACSO-ICSRJNTNSA-N 2 2 330.520 3.272 10 0 EGAELP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068119 455436053 /nfs/dbraw/zinc/43/60/53/455436053.db2.gz QDJDGJMUERACSO-ICSRJNTNSA-N 2 2 330.520 3.272 10 0 EGAELP c1coc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000247027049 455547162 /nfs/dbraw/zinc/54/71/62/455547162.db2.gz YDTRWJZGDUVOJV-WMLDXEAASA-N 2 2 327.428 3.383 10 0 EGAELP c1coc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000247027049 455547164 /nfs/dbraw/zinc/54/71/64/455547164.db2.gz YDTRWJZGDUVOJV-WMLDXEAASA-N 2 2 327.428 3.383 10 0 EGAELP c1coc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)no2)c1 ZINC000247027049 455547165 /nfs/dbraw/zinc/54/71/65/455547165.db2.gz YDTRWJZGDUVOJV-WMLDXEAASA-N 2 2 327.428 3.383 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247040959 455549915 /nfs/dbraw/zinc/54/99/15/455549915.db2.gz KVQUITDWGJTPSF-CMKODMSKSA-N 2 2 343.515 3.203 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247040959 455549916 /nfs/dbraw/zinc/54/99/16/455549916.db2.gz KVQUITDWGJTPSF-CMKODMSKSA-N 2 2 343.515 3.203 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247798528 455646766 /nfs/dbraw/zinc/64/67/66/455646766.db2.gz ZYJRAYIEXXWGKI-PBHICJAKSA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247798528 455646770 /nfs/dbraw/zinc/64/67/70/455646770.db2.gz ZYJRAYIEXXWGKI-PBHICJAKSA-N 2 2 341.434 3.475 10 0 EGAELP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(F)cc1Br ZINC000623700777 460683892 /nfs/dbraw/zinc/68/38/92/460683892.db2.gz CWDVIUVJVMBPCI-UHFFFAOYSA-N 2 2 342.187 3.160 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969947 455663432 /nfs/dbraw/zinc/66/34/32/455663432.db2.gz HGANBXBLADSORD-WMLDXEAASA-N 2 2 328.485 3.121 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969947 455663435 /nfs/dbraw/zinc/66/34/35/455663435.db2.gz HGANBXBLADSORD-WMLDXEAASA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969947 455663439 /nfs/dbraw/zinc/66/34/39/455663439.db2.gz HGANBXBLADSORD-WMLDXEAASA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969947 455663445 /nfs/dbraw/zinc/66/34/45/455663445.db2.gz HGANBXBLADSORD-WMLDXEAASA-N 2 2 328.485 3.121 10 0 EGAELP CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000192839720 455703576 /nfs/dbraw/zinc/70/35/76/455703576.db2.gz HKQPGXQUHORACN-INIZCTEOSA-N 2 2 340.471 3.170 10 0 EGAELP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000285481752 455854771 /nfs/dbraw/zinc/85/47/71/455854771.db2.gz CSWHZSCHGIZKFB-QAPCUYQASA-N 2 2 327.428 3.048 10 0 EGAELP COc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000285481752 455854777 /nfs/dbraw/zinc/85/47/77/455854777.db2.gz CSWHZSCHGIZKFB-QAPCUYQASA-N 2 2 327.428 3.048 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000606580261 460699179 /nfs/dbraw/zinc/69/91/79/460699179.db2.gz GXLUOOBMBZPICJ-UHFFFAOYSA-N 2 2 341.459 3.110 10 0 EGAELP C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261856207 455959610 /nfs/dbraw/zinc/95/96/10/455959610.db2.gz FDHACNYPSKAMQX-FOSCPWQOSA-N 2 2 342.270 3.147 10 0 EGAELP C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261856207 455959613 /nfs/dbraw/zinc/95/96/13/455959613.db2.gz FDHACNYPSKAMQX-FOSCPWQOSA-N 2 2 342.270 3.147 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000333238027 456183765 /nfs/dbraw/zinc/18/37/65/456183765.db2.gz DIHZSIRQAWOWHZ-HOCLYGCPSA-N 2 2 340.471 3.032 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000273218630 456218381 /nfs/dbraw/zinc/21/83/81/456218381.db2.gz NHNXIYUFZFZXKY-HNNXBMFYSA-N 2 2 329.448 3.029 10 0 EGAELP C1CCC([N@@H+]2CCC[C@@H]2c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761196 456260174 /nfs/dbraw/zinc/26/01/74/456260174.db2.gz VTOIUQYCVXKCKY-BRWVUGGUSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([N@H+]2CCC[C@@H]2c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761196 456260176 /nfs/dbraw/zinc/26/01/76/456260176.db2.gz VTOIUQYCVXKCKY-BRWVUGGUSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761196 456260178 /nfs/dbraw/zinc/26/01/78/456260178.db2.gz VTOIUQYCVXKCKY-BRWVUGGUSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@@H]2c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761196 456260182 /nfs/dbraw/zinc/26/01/82/456260182.db2.gz VTOIUQYCVXKCKY-BRWVUGGUSA-N 2 2 346.475 3.075 10 0 EGAELP COc1ccccc1N1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000290335196 456296173 /nfs/dbraw/zinc/29/61/73/456296173.db2.gz KOXOSYYLLXADMF-GOSISDBHSA-N 2 2 325.456 3.200 10 0 EGAELP CCc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c2ccccc2[nH+]1 ZINC000302156677 456302045 /nfs/dbraw/zinc/30/20/45/456302045.db2.gz NDWNWUDUMKBZRY-UHFFFAOYSA-N 2 2 333.439 3.222 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000297847062 456307789 /nfs/dbraw/zinc/30/77/89/456307789.db2.gz OHGZCDMMWDRVJW-DOMZBBRYSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000297847062 456307792 /nfs/dbraw/zinc/30/77/92/456307792.db2.gz OHGZCDMMWDRVJW-DOMZBBRYSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000297847062 456307798 /nfs/dbraw/zinc/30/77/98/456307798.db2.gz OHGZCDMMWDRVJW-DOMZBBRYSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000297847062 456307804 /nfs/dbraw/zinc/30/78/04/456307804.db2.gz OHGZCDMMWDRVJW-DOMZBBRYSA-N 2 2 332.517 3.496 10 0 EGAELP CCOCC[N@@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@@H]1C ZINC000302670318 456372660 /nfs/dbraw/zinc/37/26/60/456372660.db2.gz RHFDXGROXFHELU-INIZCTEOSA-N 2 2 343.471 3.099 10 0 EGAELP CCOCC[N@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@@H]1C ZINC000302670318 456372666 /nfs/dbraw/zinc/37/26/66/456372666.db2.gz RHFDXGROXFHELU-INIZCTEOSA-N 2 2 343.471 3.099 10 0 EGAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282074018 456406724 /nfs/dbraw/zinc/40/67/24/456406724.db2.gz NNUPHDJZHGBNMQ-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1ccnc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282074018 456406728 /nfs/dbraw/zinc/40/67/28/456406728.db2.gz NNUPHDJZHGBNMQ-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466675 456477637 /nfs/dbraw/zinc/47/76/37/456477637.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466675 456477643 /nfs/dbraw/zinc/47/76/43/456477643.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466675 456477646 /nfs/dbraw/zinc/47/76/46/456477646.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466675 456477652 /nfs/dbraw/zinc/47/76/52/456477652.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466675 456477654 /nfs/dbraw/zinc/47/76/54/456477654.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466675 456477660 /nfs/dbraw/zinc/47/76/60/456477660.db2.gz DRTRRUDVGXZEHM-DNVCBOLYSA-N 2 2 345.466 3.135 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000298517041 456478583 /nfs/dbraw/zinc/47/85/83/456478583.db2.gz LAIGMQDYZQFKBJ-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000298517041 456478591 /nfs/dbraw/zinc/47/85/91/456478591.db2.gz LAIGMQDYZQFKBJ-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000657796806 462272359 /nfs/dbraw/zinc/27/23/59/462272359.db2.gz ICFBARWRHJSCFQ-PKOBYXMFSA-N 2 2 343.515 3.065 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000657796806 462272364 /nfs/dbraw/zinc/27/23/64/462272364.db2.gz ICFBARWRHJSCFQ-PKOBYXMFSA-N 2 2 343.515 3.065 10 0 EGAELP FC(F)OC1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000648818676 462292555 /nfs/dbraw/zinc/29/25/55/462292555.db2.gz ZQERJBSWBBFMFR-UHFFFAOYSA-N 2 2 339.430 3.186 10 0 EGAELP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657898789 462310838 /nfs/dbraw/zinc/31/08/38/462310838.db2.gz SGKJKLJZAPMZIX-OAHLLOKOSA-N 2 2 331.460 3.368 10 0 EGAELP CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348254429 456574693 /nfs/dbraw/zinc/57/46/93/456574693.db2.gz DHCSHBJCSISLMA-OAHLLOKOSA-N 2 2 344.459 3.151 10 0 EGAELP CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348254429 456574696 /nfs/dbraw/zinc/57/46/96/456574696.db2.gz DHCSHBJCSISLMA-OAHLLOKOSA-N 2 2 344.459 3.151 10 0 EGAELP OC[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1c1ccccc1 ZINC000353254148 456589478 /nfs/dbraw/zinc/58/94/78/456589478.db2.gz VADPPYOOTWPXOH-MOPGFXCFSA-N 2 2 339.464 3.190 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000353258879 456593968 /nfs/dbraw/zinc/59/39/68/456593968.db2.gz RUBNVZGMBVZAOV-PKOBYXMFSA-N 2 2 341.503 3.310 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1n1cc[nH+]c1 ZINC000282729799 456606894 /nfs/dbraw/zinc/60/68/94/456606894.db2.gz DJSKPHCRVMXQNX-RHSMWYFYSA-N 2 2 341.484 3.428 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1n1cc[nH+]c1 ZINC000282729799 456606904 /nfs/dbraw/zinc/60/69/04/456606904.db2.gz DJSKPHCRVMXQNX-RHSMWYFYSA-N 2 2 341.484 3.428 10 0 EGAELP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461351 456637467 /nfs/dbraw/zinc/63/74/67/456637467.db2.gz KUPKXRRXNMHVNO-WMZOPIPTSA-N 2 2 344.409 3.220 10 0 EGAELP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461351 456637471 /nfs/dbraw/zinc/63/74/71/456637471.db2.gz KUPKXRRXNMHVNO-WMZOPIPTSA-N 2 2 344.409 3.220 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321325808 456638139 /nfs/dbraw/zinc/63/81/39/456638139.db2.gz SCXPVESBIISFJM-ZBFHGGJFSA-N 2 2 328.485 3.169 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321325808 456638146 /nfs/dbraw/zinc/63/81/46/456638146.db2.gz SCXPVESBIISFJM-ZBFHGGJFSA-N 2 2 328.485 3.169 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000338007408 456653184 /nfs/dbraw/zinc/65/31/84/456653184.db2.gz MDODONFXDLTBJG-HKBOAZHASA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000338007408 456653190 /nfs/dbraw/zinc/65/31/90/456653190.db2.gz MDODONFXDLTBJG-HKBOAZHASA-N 2 2 328.500 3.446 10 0 EGAELP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655621 456670307 /nfs/dbraw/zinc/67/03/07/456670307.db2.gz YSVOHXBHSKHZEB-ZBFHGGJFSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655621 456670317 /nfs/dbraw/zinc/67/03/17/456670317.db2.gz YSVOHXBHSKHZEB-ZBFHGGJFSA-N 2 2 346.862 3.354 10 0 EGAELP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617026 456671355 /nfs/dbraw/zinc/67/13/55/456671355.db2.gz MQMRACDKEDRLLJ-RDJZCZTQSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617026 456671360 /nfs/dbraw/zinc/67/13/60/456671360.db2.gz MQMRACDKEDRLLJ-RDJZCZTQSA-N 2 2 329.419 3.445 10 0 EGAELP COCc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624502 456722040 /nfs/dbraw/zinc/72/20/40/456722040.db2.gz CKSQLQUNBFEQFB-GOSISDBHSA-N 2 2 345.512 3.210 10 0 EGAELP COCc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624502 456722047 /nfs/dbraw/zinc/72/20/47/456722047.db2.gz CKSQLQUNBFEQFB-GOSISDBHSA-N 2 2 345.512 3.210 10 0 EGAELP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299745283 456779159 /nfs/dbraw/zinc/77/91/59/456779159.db2.gz XNXSXLJAAIHSCB-OAHLLOKOSA-N 2 2 327.476 3.230 10 0 EGAELP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299745283 456779165 /nfs/dbraw/zinc/77/91/65/456779165.db2.gz XNXSXLJAAIHSCB-OAHLLOKOSA-N 2 2 327.476 3.230 10 0 EGAELP CCC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000341287258 456834141 /nfs/dbraw/zinc/83/41/41/456834141.db2.gz SCGULGJNJUKZHA-ZWKOTPCHSA-N 2 2 340.471 3.042 10 0 EGAELP C[NH+](C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000348859048 456883556 /nfs/dbraw/zinc/88/35/56/456883556.db2.gz OFFXXIYNNLJZKW-MRXNPFEDSA-N 2 2 346.862 3.072 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C[C@H](C)O1 ZINC000339071037 456926894 /nfs/dbraw/zinc/92/68/94/456926894.db2.gz OYCGPUDPHBIWHK-YOUFYPILSA-N 2 2 346.515 3.243 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C[C@H](C)O1 ZINC000339071037 456926896 /nfs/dbraw/zinc/92/68/96/456926896.db2.gz OYCGPUDPHBIWHK-YOUFYPILSA-N 2 2 346.515 3.243 10 0 EGAELP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1OC(F)F ZINC000353901362 456958258 /nfs/dbraw/zinc/95/82/58/456958258.db2.gz REWQFBAUDLEHHB-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP Cc1cccn2c(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH+]c12 ZINC000349820012 457065036 /nfs/dbraw/zinc/06/50/36/457065036.db2.gz RWRFLZCDDRYXSS-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1cccn2c(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH+]c12 ZINC000349820012 457065045 /nfs/dbraw/zinc/06/50/45/457065045.db2.gz RWRFLZCDDRYXSS-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000354125896 457080226 /nfs/dbraw/zinc/08/02/26/457080226.db2.gz URDZRDYJVGXCRX-LNLFQRSKSA-N 2 2 337.552 3.124 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000354125896 457080233 /nfs/dbraw/zinc/08/02/33/457080233.db2.gz URDZRDYJVGXCRX-LNLFQRSKSA-N 2 2 337.552 3.124 10 0 EGAELP Cc1cccc2[nH+]cc(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n21 ZINC000349876719 457089611 /nfs/dbraw/zinc/08/96/11/457089611.db2.gz RSYVDKDDWGCFPQ-IBGZPJMESA-N 2 2 334.467 3.349 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000354171043 457106868 /nfs/dbraw/zinc/10/68/68/457106868.db2.gz DWPNHCQZSSINEP-CCNLRDMRSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000354171043 457106872 /nfs/dbraw/zinc/10/68/72/457106872.db2.gz DWPNHCQZSSINEP-CCNLRDMRSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354418220 457208746 /nfs/dbraw/zinc/20/87/46/457208746.db2.gz QCWWNSGKSXUWSU-NRFANRHFSA-N 2 2 342.458 3.115 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354418220 457208751 /nfs/dbraw/zinc/20/87/51/457208751.db2.gz QCWWNSGKSXUWSU-NRFANRHFSA-N 2 2 342.458 3.115 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000354461188 457238015 /nfs/dbraw/zinc/23/80/15/457238015.db2.gz IAVSTPLLXACWLN-GOSISDBHSA-N 2 2 343.471 3.420 10 0 EGAELP CCC[NH+]1CCC(CNc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000357229536 457387060 /nfs/dbraw/zinc/38/70/60/457387060.db2.gz TVGKWABBLWNEGL-UHFFFAOYSA-N 2 2 345.462 3.476 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)nc1 ZINC000360972892 457481190 /nfs/dbraw/zinc/48/11/90/457481190.db2.gz DPFMUALCYCIZIM-NLWGTHIKSA-N 2 2 343.515 3.231 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000342746480 457494597 /nfs/dbraw/zinc/49/45/97/457494597.db2.gz QKOQNWLTFDENQI-UHFFFAOYSA-N 2 2 325.456 3.499 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000399012112 457504778 /nfs/dbraw/zinc/50/47/78/457504778.db2.gz YNMJAWWTJNLVOS-GVXVVHGQSA-N 2 2 327.266 3.249 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021752 457507006 /nfs/dbraw/zinc/50/70/06/457507006.db2.gz RBFJNRLWBHAQNC-SFHVURJKSA-N 3 2 341.503 3.384 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021752 457507008 /nfs/dbraw/zinc/50/70/08/457507008.db2.gz RBFJNRLWBHAQNC-SFHVURJKSA-N 3 2 341.503 3.384 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214590 457526306 /nfs/dbraw/zinc/52/63/06/457526306.db2.gz YHDSCESEFWTRDF-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000374253033 457546128 /nfs/dbraw/zinc/54/61/28/457546128.db2.gz CVPFMXVNBKPEPD-DJIMGWMZSA-N 2 2 337.533 3.025 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000374253033 457546135 /nfs/dbraw/zinc/54/61/35/457546135.db2.gz CVPFMXVNBKPEPD-DJIMGWMZSA-N 2 2 337.533 3.025 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361295365 457682944 /nfs/dbraw/zinc/68/29/44/457682944.db2.gz JOLHYMSSSDNINA-SFHVURJKSA-N 3 2 328.504 3.399 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361295365 457682947 /nfs/dbraw/zinc/68/29/47/457682947.db2.gz JOLHYMSSSDNINA-SFHVURJKSA-N 3 2 328.504 3.399 10 0 EGAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361307244 457687524 /nfs/dbraw/zinc/68/75/24/457687524.db2.gz DRFBBURYDYKZPI-MRXNPFEDSA-N 2 2 345.409 3.033 10 0 EGAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361307244 457687527 /nfs/dbraw/zinc/68/75/27/457687527.db2.gz DRFBBURYDYKZPI-MRXNPFEDSA-N 2 2 345.409 3.033 10 0 EGAELP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000370671122 457697181 /nfs/dbraw/zinc/69/71/81/457697181.db2.gz MUXPJEVJWYDBDV-SFHVURJKSA-N 2 2 327.859 3.461 10 0 EGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846914 457704458 /nfs/dbraw/zinc/70/44/58/457704458.db2.gz KZFVPRAEXLDTBX-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846914 457704459 /nfs/dbraw/zinc/70/44/59/457704459.db2.gz KZFVPRAEXLDTBX-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000361378789 457711973 /nfs/dbraw/zinc/71/19/73/457711973.db2.gz SKUKNQWOVWYHRQ-AZUAARDMSA-N 2 2 345.487 3.299 10 0 EGAELP CC(C)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000374831362 457715903 /nfs/dbraw/zinc/71/59/03/457715903.db2.gz YKTLGBLBGKXLAW-OALUTQOASA-N 2 2 348.441 3.365 10 0 EGAELP CC[N@H+](CCC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370864562 457731199 /nfs/dbraw/zinc/73/11/99/457731199.db2.gz DIULWAGBPVXYGN-UHFFFAOYSA-N 2 2 332.492 3.178 10 0 EGAELP CC[N@@H+](CCC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370864562 457731201 /nfs/dbraw/zinc/73/12/01/457731201.db2.gz DIULWAGBPVXYGN-UHFFFAOYSA-N 2 2 332.492 3.178 10 0 EGAELP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358117794 457796612 /nfs/dbraw/zinc/79/66/12/457796612.db2.gz XZNMTCOZTMVUHS-FQEVSTJZSA-N 2 2 337.467 3.386 10 0 EGAELP COc1ccc2oc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)cc2c1 ZINC000371240843 457837687 /nfs/dbraw/zinc/83/76/87/457837687.db2.gz GHGHUHNTMFYULR-UHFFFAOYSA-N 2 2 334.379 3.312 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000411519122 457909730 /nfs/dbraw/zinc/90/97/30/457909730.db2.gz REPMYFMHXUSKAJ-WBVHZDCISA-N 2 2 345.487 3.001 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000411519122 457909733 /nfs/dbraw/zinc/90/97/33/457909733.db2.gz REPMYFMHXUSKAJ-WBVHZDCISA-N 2 2 345.487 3.001 10 0 EGAELP CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000371476356 457952442 /nfs/dbraw/zinc/95/24/42/457952442.db2.gz BFOHDBMTJQYFAX-AZUAARDMSA-N 2 2 326.488 3.431 10 0 EGAELP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000371476356 457952447 /nfs/dbraw/zinc/95/24/47/457952447.db2.gz BFOHDBMTJQYFAX-AZUAARDMSA-N 2 2 326.488 3.431 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000361947878 457971533 /nfs/dbraw/zinc/97/15/33/457971533.db2.gz ZSHXHCYGDAYIIP-GFCCVEGCSA-N 2 2 338.224 3.311 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000361947878 457971538 /nfs/dbraw/zinc/97/15/38/457971538.db2.gz ZSHXHCYGDAYIIP-GFCCVEGCSA-N 2 2 338.224 3.311 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375737263 458043068 /nfs/dbraw/zinc/04/30/68/458043068.db2.gz BAZSKZXTSPUFAT-XYPWUTKMSA-N 2 2 330.451 3.252 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375737263 458043071 /nfs/dbraw/zinc/04/30/71/458043071.db2.gz BAZSKZXTSPUFAT-XYPWUTKMSA-N 2 2 330.451 3.252 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375737263 458043077 /nfs/dbraw/zinc/04/30/77/458043077.db2.gz BAZSKZXTSPUFAT-XYPWUTKMSA-N 2 2 330.451 3.252 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375737263 458043081 /nfs/dbraw/zinc/04/30/81/458043081.db2.gz BAZSKZXTSPUFAT-XYPWUTKMSA-N 2 2 330.451 3.252 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000445814511 458092909 /nfs/dbraw/zinc/09/29/09/458092909.db2.gz YQQAAOIXOHLJKZ-HXUWFJFHSA-N 2 2 338.499 3.239 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000445814511 458092914 /nfs/dbraw/zinc/09/29/14/458092914.db2.gz YQQAAOIXOHLJKZ-HXUWFJFHSA-N 2 2 338.499 3.239 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000445814511 458092917 /nfs/dbraw/zinc/09/29/17/458092917.db2.gz YQQAAOIXOHLJKZ-HXUWFJFHSA-N 2 2 338.499 3.239 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932961 458129759 /nfs/dbraw/zinc/12/97/59/458129759.db2.gz PIHLPHZVSPCZPO-IRXDYDNUSA-N 2 2 335.879 3.249 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932961 458129764 /nfs/dbraw/zinc/12/97/64/458129764.db2.gz PIHLPHZVSPCZPO-IRXDYDNUSA-N 2 2 335.879 3.249 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000429550738 458343537 /nfs/dbraw/zinc/34/35/37/458343537.db2.gz YBILCQZUMRHKJV-MJGOQNOKSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000429550738 458343541 /nfs/dbraw/zinc/34/35/41/458343541.db2.gz YBILCQZUMRHKJV-MJGOQNOKSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000376591393 458347353 /nfs/dbraw/zinc/34/73/53/458347353.db2.gz CRMCETXCOIIDTR-AEFFLSMTSA-N 2 2 342.418 3.404 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000376591393 458347357 /nfs/dbraw/zinc/34/73/57/458347357.db2.gz CRMCETXCOIIDTR-AEFFLSMTSA-N 2 2 342.418 3.404 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794100 458390603 /nfs/dbraw/zinc/39/06/03/458390603.db2.gz LLSQJKSHSSBANK-UZLBHIALSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794100 458390607 /nfs/dbraw/zinc/39/06/07/458390607.db2.gz LLSQJKSHSSBANK-UZLBHIALSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077197 458396429 /nfs/dbraw/zinc/39/64/29/458396429.db2.gz KZSDXAOBYBXTFJ-SDPXSBNPSA-N 2 2 341.268 3.374 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077197 458396434 /nfs/dbraw/zinc/39/64/34/458396434.db2.gz KZSDXAOBYBXTFJ-SDPXSBNPSA-N 2 2 341.268 3.374 10 0 EGAELP CC(C)n1c[nH+]cc1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000424173933 458577852 /nfs/dbraw/zinc/57/78/52/458577852.db2.gz MMNIRJYFMYMKRI-FQEVSTJZSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1c[nH+]cc1CNC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000424173933 458577855 /nfs/dbraw/zinc/57/78/55/458577855.db2.gz MMNIRJYFMYMKRI-FQEVSTJZSA-N 2 2 326.488 3.464 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000378050359 458611814 /nfs/dbraw/zinc/61/18/14/458611814.db2.gz ANJOJBDXJPBBDL-UHFFFAOYSA-N 2 2 326.444 3.153 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000471233327 458687099 /nfs/dbraw/zinc/68/70/99/458687099.db2.gz IWEHCHVVYYTSLO-GGPKGHCWSA-N 2 2 345.531 3.143 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000471233327 458687105 /nfs/dbraw/zinc/68/71/05/458687105.db2.gz IWEHCHVVYYTSLO-GGPKGHCWSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000471233327 458687112 /nfs/dbraw/zinc/68/71/12/458687112.db2.gz IWEHCHVVYYTSLO-GGPKGHCWSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000471233327 458687119 /nfs/dbraw/zinc/68/71/19/458687119.db2.gz IWEHCHVVYYTSLO-GGPKGHCWSA-N 2 2 345.531 3.143 10 0 EGAELP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000495032534 458785290 /nfs/dbraw/zinc/78/52/90/458785290.db2.gz VSDWBQLXPFZOAV-QBIMZIAESA-N 2 2 329.419 3.164 10 0 EGAELP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000495032534 458785294 /nfs/dbraw/zinc/78/52/94/458785294.db2.gz VSDWBQLXPFZOAV-QBIMZIAESA-N 2 2 329.419 3.164 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339179 458969769 /nfs/dbraw/zinc/96/97/69/458969769.db2.gz RHWNWSUREUYHKP-PBHICJAKSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339179 458969777 /nfs/dbraw/zinc/96/97/77/458969777.db2.gz RHWNWSUREUYHKP-PBHICJAKSA-N 2 2 344.421 3.337 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488279 459098036 /nfs/dbraw/zinc/09/80/36/459098036.db2.gz LTXGXJZUPVICBD-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488279 459098043 /nfs/dbraw/zinc/09/80/43/459098043.db2.gz LTXGXJZUPVICBD-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000532956480 459166819 /nfs/dbraw/zinc/16/68/19/459166819.db2.gz SHDLDVUBIJQCQV-KRWDZBQOSA-N 2 2 334.467 3.452 10 0 EGAELP CC1CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615848 459210050 /nfs/dbraw/zinc/21/00/50/459210050.db2.gz UANUXUCLEMEBHT-PZJWPPBQSA-N 2 2 329.532 3.219 10 0 EGAELP CC1CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615848 459210055 /nfs/dbraw/zinc/21/00/55/459210055.db2.gz UANUXUCLEMEBHT-PZJWPPBQSA-N 2 2 329.532 3.219 10 0 EGAELP Cc1ccc(C)c([C@@H]2C[N@H+](CCCc3c[nH+]cn3C)[C@@H](C)CO2)c1 ZINC000568527026 459304199 /nfs/dbraw/zinc/30/41/99/459304199.db2.gz OERNYWCFRHZZQJ-PXNSSMCTSA-N 2 2 327.472 3.432 10 0 EGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCc3c[nH+]cn3C)[C@@H](C)CO2)c1 ZINC000568527026 459304203 /nfs/dbraw/zinc/30/42/03/459304203.db2.gz OERNYWCFRHZZQJ-PXNSSMCTSA-N 2 2 327.472 3.432 10 0 EGAELP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081889 459308976 /nfs/dbraw/zinc/30/89/76/459308976.db2.gz BCUOXEKBCKMMFU-QWHCGFSZSA-N 2 2 329.429 3.393 10 0 EGAELP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081889 459308978 /nfs/dbraw/zinc/30/89/78/459308978.db2.gz BCUOXEKBCKMMFU-QWHCGFSZSA-N 2 2 329.429 3.393 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083137 459309308 /nfs/dbraw/zinc/30/93/08/459309308.db2.gz PHJACIZTEKNDNV-SFHVURJKSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083137 459309317 /nfs/dbraw/zinc/30/93/17/459309317.db2.gz PHJACIZTEKNDNV-SFHVURJKSA-N 2 2 340.471 3.284 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000560521475 459364942 /nfs/dbraw/zinc/36/49/42/459364942.db2.gz RZVZJUCKEZOWTN-IVAOSVALSA-N 2 2 327.516 3.286 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000560521475 459364945 /nfs/dbraw/zinc/36/49/45/459364945.db2.gz RZVZJUCKEZOWTN-IVAOSVALSA-N 2 2 327.516 3.286 10 0 EGAELP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000583812559 459601309 /nfs/dbraw/zinc/60/13/09/459601309.db2.gz KWFMHBIRATWNSI-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000583812559 459601315 /nfs/dbraw/zinc/60/13/15/459601315.db2.gz KWFMHBIRATWNSI-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592531 459672413 /nfs/dbraw/zinc/67/24/13/459672413.db2.gz WSMZRXOVSUUUHE-RDJZCZTQSA-N 2 2 329.513 3.312 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000527793267 459737361 /nfs/dbraw/zinc/73/73/61/459737361.db2.gz XOOHACOLYNKXLP-NWDGAFQWSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000527793267 459737365 /nfs/dbraw/zinc/73/73/65/459737365.db2.gz XOOHACOLYNKXLP-NWDGAFQWSA-N 2 2 345.231 3.444 10 0 EGAELP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000527792459 459737967 /nfs/dbraw/zinc/73/79/67/459737967.db2.gz AHZZYIJZUKGGST-APWZRJJASA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000527792459 459737972 /nfs/dbraw/zinc/73/79/72/459737972.db2.gz AHZZYIJZUKGGST-APWZRJJASA-N 2 2 325.456 3.058 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000574040511 459771898 /nfs/dbraw/zinc/77/18/98/459771898.db2.gz MYZORBYWDPKAIK-OAQYLSRUSA-N 2 2 337.467 3.236 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000574040511 459771903 /nfs/dbraw/zinc/77/19/03/459771903.db2.gz MYZORBYWDPKAIK-OAQYLSRUSA-N 2 2 337.467 3.236 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528010115 459796017 /nfs/dbraw/zinc/79/60/17/459796017.db2.gz IJALSSNXIVCUKA-QAPCUYQASA-N 2 2 332.488 3.241 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000528010115 459796022 /nfs/dbraw/zinc/79/60/22/459796022.db2.gz IJALSSNXIVCUKA-QAPCUYQASA-N 2 2 332.488 3.241 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000575279409 459958138 /nfs/dbraw/zinc/95/81/38/459958138.db2.gz FTVPYHCGEHEOLW-UHFFFAOYSA-N 2 2 339.483 3.482 10 0 EGAELP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687112 459966774 /nfs/dbraw/zinc/96/67/74/459966774.db2.gz KLNNWPAEADZSBF-WMZOPIPTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687112 459966780 /nfs/dbraw/zinc/96/67/80/459966780.db2.gz KLNNWPAEADZSBF-WMZOPIPTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687112 459966787 /nfs/dbraw/zinc/96/67/87/459966787.db2.gz KLNNWPAEADZSBF-WMZOPIPTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687112 459966790 /nfs/dbraw/zinc/96/67/90/459966790.db2.gz KLNNWPAEADZSBF-WMZOPIPTSA-N 2 2 330.447 3.311 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n(CCc2ccccc2)n1 ZINC000621712899 460018402 /nfs/dbraw/zinc/01/84/02/460018402.db2.gz SWZNRQVAYIULIS-SFHVURJKSA-N 2 2 335.455 3.229 10 0 EGAELP c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n(CCc2ccccc2)n1 ZINC000621712899 460018407 /nfs/dbraw/zinc/01/84/07/460018407.db2.gz SWZNRQVAYIULIS-SFHVURJKSA-N 2 2 335.455 3.229 10 0 EGAELP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000621760296 460053981 /nfs/dbraw/zinc/05/39/81/460053981.db2.gz IKTSXKVCBXGSBC-CYBMUJFWSA-N 2 2 344.203 3.321 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000625876366 460290169 /nfs/dbraw/zinc/29/01/69/460290169.db2.gz JMFRGHFZOOKBPC-BHYGNILZSA-N 2 2 345.491 3.031 10 0 EGAELP Brc1ccc2[nH+]cc(Cn3c[nH+]c4c3CCCC4)n2c1 ZINC000628371156 460388810 /nfs/dbraw/zinc/38/88/10/460388810.db2.gz AKORSOVJPMUYIZ-UHFFFAOYSA-N 2 2 331.217 3.220 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631665069 460499819 /nfs/dbraw/zinc/49/98/19/460499819.db2.gz VPHBABOCMWIDEI-QGZVFWFLSA-N 2 2 328.859 3.367 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000629388134 460746315 /nfs/dbraw/zinc/74/63/15/460746315.db2.gz RBZKBRWMGYZGOZ-UHFFFAOYSA-N 2 2 337.876 3.061 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000623874015 460756178 /nfs/dbraw/zinc/75/61/78/460756178.db2.gz YXKNXWLRBOEYPM-JQWIXIFHSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000623874015 460756184 /nfs/dbraw/zinc/75/61/84/460756184.db2.gz YXKNXWLRBOEYPM-JQWIXIFHSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623874017 460756913 /nfs/dbraw/zinc/75/69/13/460756913.db2.gz YXKNXWLRBOEYPM-ZYHUDNBSSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623874017 460756916 /nfs/dbraw/zinc/75/69/16/460756916.db2.gz YXKNXWLRBOEYPM-ZYHUDNBSSA-N 2 2 335.801 3.369 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)co1 ZINC000629516738 460791041 /nfs/dbraw/zinc/79/10/41/460791041.db2.gz ONRFHDOVJPMXEB-KBXCAEBGSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)co1 ZINC000629516738 460791044 /nfs/dbraw/zinc/79/10/44/460791044.db2.gz ONRFHDOVJPMXEB-KBXCAEBGSA-N 2 2 329.419 3.445 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C[NH2+]1 ZINC000629538403 460801616 /nfs/dbraw/zinc/80/16/16/460801616.db2.gz MAIOJZSZDGRRQL-OSQNNJELSA-N 2 2 327.241 3.306 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCCO1 ZINC000623974971 460805993 /nfs/dbraw/zinc/80/59/93/460805993.db2.gz VHVSNJQLFBGNKV-MFNGEMCRSA-N 2 2 334.426 3.339 10 0 EGAELP CC[C@@H](C[NH+]1CCCC1)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623976825 460807235 /nfs/dbraw/zinc/80/72/35/460807235.db2.gz XKISNBWYTRHZPR-SFHVURJKSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188933 460902073 /nfs/dbraw/zinc/90/20/73/460902073.db2.gz MGTAKCOYQOELEV-LPHOPBHVSA-N 2 2 329.488 3.035 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188933 460902084 /nfs/dbraw/zinc/90/20/84/460902084.db2.gz MGTAKCOYQOELEV-LPHOPBHVSA-N 2 2 329.488 3.035 10 0 EGAELP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)n(CCc2ccccc2)n1 ZINC000621350289 461002850 /nfs/dbraw/zinc/00/28/50/461002850.db2.gz DBBQEIVOWPNJRP-UHFFFAOYSA-N 2 2 338.499 3.232 10 0 EGAELP c1[nH]nc2cccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c12 ZINC000628262811 461065615 /nfs/dbraw/zinc/06/56/15/461065615.db2.gz ZSOJTKCIGNKJNH-INIZCTEOSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH]nc2cccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c12 ZINC000628262811 461065618 /nfs/dbraw/zinc/06/56/18/461065618.db2.gz ZSOJTKCIGNKJNH-INIZCTEOSA-N 2 2 335.455 3.475 10 0 EGAELP Cc1cc(C)c(CS(=O)(=O)Cc2c(C)cc(C)[nH+]c2C)c(C)[nH+]1 ZINC000630448950 461122474 /nfs/dbraw/zinc/12/24/74/461122474.db2.gz IMMDNOWRXRLPSP-UHFFFAOYSA-N 2 2 332.469 3.442 10 0 EGAELP COCc1cc[nH+]c(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000652330857 461132701 /nfs/dbraw/zinc/13/27/01/461132701.db2.gz QWKNPJVEKRYURF-HNNXBMFYSA-N 2 2 329.444 3.342 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)cc2[nH+]1 ZINC000668154000 461140342 /nfs/dbraw/zinc/14/03/42/461140342.db2.gz BMPNPLXELXBTSO-HUUCEWRRSA-N 2 2 329.448 3.027 10 0 EGAELP C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662262425 461150192 /nfs/dbraw/zinc/15/01/92/461150192.db2.gz FMVHBJWPTIBGEY-UHFFFAOYSA-N 2 2 346.478 3.209 10 0 EGAELP C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662262425 461150203 /nfs/dbraw/zinc/15/02/03/461150203.db2.gz FMVHBJWPTIBGEY-UHFFFAOYSA-N 2 2 346.478 3.209 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649587175 461198351 /nfs/dbraw/zinc/19/83/51/461198351.db2.gz CDIOMZJFFQSNCN-YLJYHZDGSA-N 2 2 349.519 3.095 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649587175 461198354 /nfs/dbraw/zinc/19/83/54/461198354.db2.gz CDIOMZJFFQSNCN-YLJYHZDGSA-N 2 2 349.519 3.095 10 0 EGAELP CCCCCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739767 461411241 /nfs/dbraw/zinc/41/12/41/461411241.db2.gz CMIUWVKWNQTACZ-HXUWFJFHSA-N 2 2 346.515 3.287 10 0 EGAELP CCCCCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739767 461411251 /nfs/dbraw/zinc/41/12/51/461411251.db2.gz CMIUWVKWNQTACZ-HXUWFJFHSA-N 2 2 346.515 3.287 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](CC(F)(F)F)O1 ZINC000668766882 461422240 /nfs/dbraw/zinc/42/22/40/461422240.db2.gz AXYPPRRZGNLIHU-YPMHNXCESA-N 2 2 345.390 3.476 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](CC(F)(F)F)O1 ZINC000668766882 461422245 /nfs/dbraw/zinc/42/22/45/461422245.db2.gz AXYPPRRZGNLIHU-YPMHNXCESA-N 2 2 345.390 3.476 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000655756778 461422718 /nfs/dbraw/zinc/42/27/18/461422718.db2.gz YCAUMMUKOYPRBW-CZUORRHYSA-N 2 2 331.485 3.200 10 0 EGAELP Cc1nc2ccc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2s1 ZINC000668785764 461434093 /nfs/dbraw/zinc/43/40/93/461434093.db2.gz WXMWWFCLAOLFMW-MRXNPFEDSA-N 2 2 333.501 3.147 10 0 EGAELP Cc1nc2ccc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2s1 ZINC000668785764 461434101 /nfs/dbraw/zinc/43/41/01/461434101.db2.gz WXMWWFCLAOLFMW-MRXNPFEDSA-N 2 2 333.501 3.147 10 0 EGAELP C[NH+](C)[C@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CCSC1 ZINC000631084263 461534841 /nfs/dbraw/zinc/53/48/41/461534841.db2.gz VJSADKAOUIEOMB-HNNXBMFYSA-N 2 2 332.435 3.318 10 0 EGAELP c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344631 461573051 /nfs/dbraw/zinc/57/30/51/461573051.db2.gz CZTNTWIHMFXAQE-FQEVSTJZSA-N 2 2 338.499 3.143 10 0 EGAELP c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344631 461573060 /nfs/dbraw/zinc/57/30/60/461573060.db2.gz CZTNTWIHMFXAQE-FQEVSTJZSA-N 2 2 338.499 3.143 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660127406 461597722 /nfs/dbraw/zinc/59/77/22/461597722.db2.gz MWYYKXRXKOLMRW-RHSMWYFYSA-N 2 2 335.398 3.233 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660127406 461597729 /nfs/dbraw/zinc/59/77/29/461597729.db2.gz MWYYKXRXKOLMRW-RHSMWYFYSA-N 2 2 335.398 3.233 10 0 EGAELP Clc1c2ccccc2oc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631176838 461615753 /nfs/dbraw/zinc/61/57/53/461615753.db2.gz DKCLXICMHGHOBF-CQSZACIVSA-N 2 2 334.847 3.429 10 0 EGAELP C[NH+]1CCC([C@H]2CCN(c3[nH+]c(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631183598 461621983 /nfs/dbraw/zinc/62/19/83/461621983.db2.gz KBVBWHFIWHCFIK-HNNXBMFYSA-N 2 2 325.460 3.003 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194422 461633947 /nfs/dbraw/zinc/63/39/47/461633947.db2.gz KZOMWVMIBGMXDQ-IEBWSBKVSA-N 2 2 338.499 3.077 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194422 461633958 /nfs/dbraw/zinc/63/39/58/461633958.db2.gz KZOMWVMIBGMXDQ-IEBWSBKVSA-N 2 2 338.499 3.077 10 0 EGAELP c1[nH+]c2n(c1CN[C@@H]1CCCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000631205651 461640008 /nfs/dbraw/zinc/64/00/08/461640008.db2.gz QDXGKNJSKHBEAF-LJQANCHMSA-N 2 2 338.499 3.364 10 0 EGAELP c1[nH+]c2n(c1CN[C@@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000631205651 461640016 /nfs/dbraw/zinc/64/00/16/461640016.db2.gz QDXGKNJSKHBEAF-LJQANCHMSA-N 2 2 338.499 3.364 10 0 EGAELP Cc1[nH+]cc(CN[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000631204715 461640830 /nfs/dbraw/zinc/64/08/30/461640830.db2.gz DIKFQVWZGYOALW-IBGZPJMESA-N 2 2 326.488 3.263 10 0 EGAELP Cc1[nH+]cc(CN[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000631204715 461640837 /nfs/dbraw/zinc/64/08/37/461640837.db2.gz DIKFQVWZGYOALW-IBGZPJMESA-N 2 2 326.488 3.263 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647344239 461648755 /nfs/dbraw/zinc/64/87/55/461648755.db2.gz MLIPFTVRBIUUQT-QHAWAJNXSA-N 2 2 346.478 3.434 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647344239 461648766 /nfs/dbraw/zinc/64/87/66/461648766.db2.gz MLIPFTVRBIUUQT-QHAWAJNXSA-N 2 2 346.478 3.434 10 0 EGAELP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631218653 461650311 /nfs/dbraw/zinc/65/03/11/461650311.db2.gz DKOGPQAKDVHZRY-PVAVHDDUSA-N 2 2 344.256 3.020 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647553477 461764350 /nfs/dbraw/zinc/76/43/50/461764350.db2.gz AQCBDAYIZQHJFT-INIZCTEOSA-N 2 2 340.414 3.451 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553941 461765184 /nfs/dbraw/zinc/76/51/84/461765184.db2.gz NOXJDDACOPPAMA-OAHLLOKOSA-N 2 2 339.277 3.222 10 0 EGAELP CCc1nnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000669694720 461770365 /nfs/dbraw/zinc/77/03/65/461770365.db2.gz IIDUIWOAPXLJAJ-ZDUSSCGKSA-N 2 2 331.489 3.013 10 0 EGAELP CCc1nnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000669694720 461770371 /nfs/dbraw/zinc/77/03/71/461770371.db2.gz IIDUIWOAPXLJAJ-ZDUSSCGKSA-N 2 2 331.489 3.013 10 0 EGAELP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000639164378 461775365 /nfs/dbraw/zinc/77/53/65/461775365.db2.gz QRYRSDAVBWHCTN-MJIXASBWSA-N 2 2 347.547 3.185 10 0 EGAELP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000639164378 461775371 /nfs/dbraw/zinc/77/53/71/461775371.db2.gz QRYRSDAVBWHCTN-MJIXASBWSA-N 2 2 347.547 3.185 10 0 EGAELP Cc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000656608674 461804742 /nfs/dbraw/zinc/80/47/42/461804742.db2.gz LZFNBUZBQLMINA-SFHVURJKSA-N 2 2 337.471 3.063 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000660534994 461838237 /nfs/dbraw/zinc/83/82/37/461838237.db2.gz ISKJMKBOTDXFGN-QFBILLFUSA-N 2 2 340.458 3.249 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000660534994 461838241 /nfs/dbraw/zinc/83/82/41/461838241.db2.gz ISKJMKBOTDXFGN-QFBILLFUSA-N 2 2 340.458 3.249 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702124 461848558 /nfs/dbraw/zinc/84/85/58/461848558.db2.gz LRVRTYYFJXDYAU-HOTGVXAUSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702124 461848561 /nfs/dbraw/zinc/84/85/61/461848561.db2.gz LRVRTYYFJXDYAU-HOTGVXAUSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)[N@H+]1CCCC[C@H]1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000663922354 461872119 /nfs/dbraw/zinc/87/21/19/461872119.db2.gz RIAURYABZCFSGJ-HOTGVXAUSA-N 2 2 330.476 3.092 10 0 EGAELP CC(C)[N@@H+]1CCCC[C@H]1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000663922354 461872127 /nfs/dbraw/zinc/87/21/27/461872127.db2.gz RIAURYABZCFSGJ-HOTGVXAUSA-N 2 2 330.476 3.092 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900404 461876486 /nfs/dbraw/zinc/87/64/86/461876486.db2.gz AQGUQKMBIMYSNZ-BZSNNMDCSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900404 461876490 /nfs/dbraw/zinc/87/64/90/461876490.db2.gz AQGUQKMBIMYSNZ-BZSNNMDCSA-N 2 2 329.488 3.094 10 0 EGAELP CCc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)s1 ZINC000656790607 461900858 /nfs/dbraw/zinc/90/08/58/461900858.db2.gz CZYQEQXIMMTOGA-GDBMZVCRSA-N 2 2 349.475 3.089 10 0 EGAELP CC(C)c1cc(N2CCC([N@@H+]3CCCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000664010591 461912942 /nfs/dbraw/zinc/91/29/42/461912942.db2.gz DYHDWJZBOQYPQX-UHFFFAOYSA-N 2 2 346.519 3.415 10 0 EGAELP CC(C)c1cc(N2CCC([N@H+]3CCCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000664010591 461912949 /nfs/dbraw/zinc/91/29/49/461912949.db2.gz DYHDWJZBOQYPQX-UHFFFAOYSA-N 2 2 346.519 3.415 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010173 461940132 /nfs/dbraw/zinc/94/01/32/461940132.db2.gz OBAQAMXXFPEWIZ-HKUYNNGSSA-N 2 2 326.488 3.485 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010173 461940137 /nfs/dbraw/zinc/94/01/37/461940137.db2.gz OBAQAMXXFPEWIZ-HKUYNNGSSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010173 461940144 /nfs/dbraw/zinc/94/01/44/461940144.db2.gz OBAQAMXXFPEWIZ-HKUYNNGSSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010173 461940149 /nfs/dbraw/zinc/94/01/49/461940149.db2.gz OBAQAMXXFPEWIZ-HKUYNNGSSA-N 2 2 326.488 3.485 10 0 EGAELP Cc1nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)c(C)[nH+]1 ZINC000664138544 461955669 /nfs/dbraw/zinc/95/56/69/461955669.db2.gz GPRQDZRJTRGVQC-NSHDSACASA-N 2 2 327.270 3.141 10 0 EGAELP Cc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c(Br)c(C)[nH+]1 ZINC000664138544 461955670 /nfs/dbraw/zinc/95/56/70/461955670.db2.gz GPRQDZRJTRGVQC-NSHDSACASA-N 2 2 327.270 3.141 10 0 EGAELP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)[nH+]1 ZINC000639563428 461991366 /nfs/dbraw/zinc/99/13/66/461991366.db2.gz WMHYOOBPKLUXTK-AWEZNQCLSA-N 2 2 332.469 3.261 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657285896 462018389 /nfs/dbraw/zinc/01/83/89/462018389.db2.gz OXBQCUZMSILPSX-UHFFFAOYSA-N 2 2 338.499 3.442 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644736179 462056281 /nfs/dbraw/zinc/05/62/81/462056281.db2.gz HUXAGKJIJOJNPC-FXAWDEMLSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644736179 462056289 /nfs/dbraw/zinc/05/62/89/462056289.db2.gz HUXAGKJIJOJNPC-FXAWDEMLSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1ncsc1-c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464275 462095343 /nfs/dbraw/zinc/09/53/43/462095343.db2.gz MPILZCZINCBOCA-UHFFFAOYSA-N 2 2 345.512 3.007 10 0 EGAELP Cc1ncsc1-c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464275 462095347 /nfs/dbraw/zinc/09/53/47/462095347.db2.gz MPILZCZINCBOCA-UHFFFAOYSA-N 2 2 345.512 3.007 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000657418683 462110962 /nfs/dbraw/zinc/11/09/62/462110962.db2.gz RDWVUEGHWZQQIS-AEFFLSMTSA-N 2 2 330.863 3.018 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000648432438 462117036 /nfs/dbraw/zinc/11/70/36/462117036.db2.gz JSCQTFQDIBMZPW-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000648432438 462117041 /nfs/dbraw/zinc/11/70/41/462117041.db2.gz JSCQTFQDIBMZPW-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648456474 462127498 /nfs/dbraw/zinc/12/74/98/462127498.db2.gz WDKBMVMUZCRYFL-IBGZPJMESA-N 2 2 330.516 3.413 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526477 462166894 /nfs/dbraw/zinc/16/68/94/462166894.db2.gz IJRJPYAWJHGCMN-GOSISDBHSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526477 462166902 /nfs/dbraw/zinc/16/69/02/462166902.db2.gz IJRJPYAWJHGCMN-GOSISDBHSA-N 2 2 330.451 3.282 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000657525546 462167129 /nfs/dbraw/zinc/16/71/29/462167129.db2.gz SLVVOGIZGNQGGX-INIZCTEOSA-N 2 2 326.444 3.231 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000657525546 462167135 /nfs/dbraw/zinc/16/71/35/462167135.db2.gz SLVVOGIZGNQGGX-INIZCTEOSA-N 2 2 326.444 3.231 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC(F)F ZINC000657525526 462168361 /nfs/dbraw/zinc/16/83/61/462168361.db2.gz YFMNPHKEIPNBMM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC(F)F ZINC000657525526 462168365 /nfs/dbraw/zinc/16/83/65/462168365.db2.gz YFMNPHKEIPNBMM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000667642267 462186017 /nfs/dbraw/zinc/18/60/17/462186017.db2.gz VAZAGEXFTKHVGE-HNNXBMFYSA-N 2 2 329.444 3.203 10 0 EGAELP Cc1cccn2c(C[NH2+][C@H](C)COc3c(F)cccc3F)c[nH+]c12 ZINC000657627517 462209297 /nfs/dbraw/zinc/20/92/97/462209297.db2.gz AZKUGDFJNHPNPO-CYBMUJFWSA-N 2 2 331.366 3.478 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C(F)F ZINC000657827267 462286784 /nfs/dbraw/zinc/28/67/84/462286784.db2.gz LFZPXNRDTPNQNO-INIZCTEOSA-N 2 2 339.474 3.468 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000657858580 462298844 /nfs/dbraw/zinc/29/88/44/462298844.db2.gz IVFVERBVBHVWOF-UXHICEINSA-N 2 2 334.504 3.019 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCOCC1)c1ccccc1 ZINC000667871318 462302578 /nfs/dbraw/zinc/30/25/78/462302578.db2.gz SGGLPZONJORQPS-VDGAXYAQSA-N 2 2 344.499 3.044 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053450 462359907 /nfs/dbraw/zinc/35/99/07/462359907.db2.gz AZEAHDWHSOFINL-XJKSGUPXSA-N 2 2 333.476 3.177 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053450 462359909 /nfs/dbraw/zinc/35/99/09/462359909.db2.gz AZEAHDWHSOFINL-XJKSGUPXSA-N 2 2 333.476 3.177 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056954 462361418 /nfs/dbraw/zinc/36/14/18/462361418.db2.gz MTXXRGDSKZYZQS-WBVHZDCISA-N 2 2 331.504 3.429 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056954 462361425 /nfs/dbraw/zinc/36/14/25/462361425.db2.gz MTXXRGDSKZYZQS-WBVHZDCISA-N 2 2 331.504 3.429 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000665273317 462378364 /nfs/dbraw/zinc/37/83/64/462378364.db2.gz UKIKWNBQGBLIPQ-HBMCJLEFSA-N 2 2 337.467 3.348 10 0 EGAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658117939 462395390 /nfs/dbraw/zinc/39/53/90/462395390.db2.gz XRTLWPAZBLBKFM-UUXHPUJUSA-N 2 2 343.471 3.089 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415197 462503638 /nfs/dbraw/zinc/50/36/38/462503638.db2.gz PCQYERJMZGLVMW-NVXWUHKLSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415197 462503641 /nfs/dbraw/zinc/50/36/41/462503641.db2.gz PCQYERJMZGLVMW-NVXWUHKLSA-N 2 2 329.419 3.445 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894386 528057968 /nfs/dbraw/zinc/05/79/68/528057968.db2.gz HSCAGPAKJJOEAN-HRCADAONSA-N 2 2 328.460 3.216 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246938181 535599585 /nfs/dbraw/zinc/59/95/85/535599585.db2.gz ALGYBUADGRVWIE-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246938181 535599588 /nfs/dbraw/zinc/59/95/88/535599588.db2.gz ALGYBUADGRVWIE-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1(C(=O)OC)CCC1 ZINC000353333960 535805899 /nfs/dbraw/zinc/80/58/99/535805899.db2.gz DUOYXSCWKYNAHB-GOSISDBHSA-N 2 2 341.455 3.143 10 0 EGAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000177101050 547023224 /nfs/dbraw/zinc/02/32/24/547023224.db2.gz DJNWXSFCDBDXMA-ZDUSSCGKSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000177101050 547023225 /nfs/dbraw/zinc/02/32/25/547023225.db2.gz DJNWXSFCDBDXMA-ZDUSSCGKSA-N 2 2 338.224 3.449 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674386819 548744114 /nfs/dbraw/zinc/74/41/14/548744114.db2.gz WWLARSUONOGDNO-INIZCTEOSA-N 2 2 349.438 3.073 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674386819 548744118 /nfs/dbraw/zinc/74/41/18/548744118.db2.gz WWLARSUONOGDNO-INIZCTEOSA-N 2 2 349.438 3.073 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000675141724 548853768 /nfs/dbraw/zinc/85/37/68/548853768.db2.gz LUYLTDUKVCSACR-QAPCUYQASA-N 2 2 349.438 3.119 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000675141724 548853769 /nfs/dbraw/zinc/85/37/69/548853769.db2.gz LUYLTDUKVCSACR-QAPCUYQASA-N 2 2 349.438 3.119 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675765523 548975877 /nfs/dbraw/zinc/97/58/77/548975877.db2.gz JHGXZTSCDPYKPO-YPMHNXCESA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675765523 548975881 /nfs/dbraw/zinc/97/58/81/548975881.db2.gz JHGXZTSCDPYKPO-YPMHNXCESA-N 2 2 329.257 3.203 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675768466 548977603 /nfs/dbraw/zinc/97/76/03/548977603.db2.gz YEQCDYMTNNHOAI-YJBOKZPZSA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768466 548977607 /nfs/dbraw/zinc/97/76/07/548977607.db2.gz YEQCDYMTNNHOAI-YJBOKZPZSA-N 2 2 332.492 3.305 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2CNc2ccc(OC)c[nH+]2)CC1 ZINC000676201240 549054206 /nfs/dbraw/zinc/05/42/06/549054206.db2.gz MVPZOLZWLPATPQ-UHFFFAOYSA-N 2 2 340.471 3.234 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598229 549527885 /nfs/dbraw/zinc/52/78/85/549527885.db2.gz PBEZEBCWCSTFQU-MISYRCLQSA-N 2 2 345.531 3.477 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598229 549527888 /nfs/dbraw/zinc/52/78/88/549527888.db2.gz PBEZEBCWCSTFQU-MISYRCLQSA-N 2 2 345.531 3.477 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCN3CCCc4ccccc43)c2)c[nH+]1 ZINC000680115363 549823230 /nfs/dbraw/zinc/82/32/30/549823230.db2.gz FPOAJGSMLFTGQV-UHFFFAOYSA-N 2 2 338.480 3.476 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000684380030 550321945 /nfs/dbraw/zinc/32/19/45/550321945.db2.gz XPYVDOZJRPACCK-IRXDYDNUSA-N 2 2 326.550 3.285 10 0 EGAELP Fc1cccn2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)nc12 ZINC000685459544 550419592 /nfs/dbraw/zinc/41/95/92/550419592.db2.gz DCLKPQAPEXCDPY-UHFFFAOYSA-N 2 2 341.434 3.362 10 0 EGAELP COc1ccc(Cl)cc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000731451410 575074819 /nfs/dbraw/zinc/07/48/19/575074819.db2.gz ZKWMFUNQYZNMHZ-UHFFFAOYSA-N 2 2 328.803 3.219 10 0 EGAELP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccncc1)C2 ZINC000096189515 1292948445 /nfs/dbraw/zinc/94/84/45/1292948445.db2.gz VZGQTHPXTPNFIZ-UHFFFAOYSA-N 2 2 348.450 3.260 10 0 EGAELP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccncc1)C2 ZINC000096189515 1292948450 /nfs/dbraw/zinc/94/84/50/1292948450.db2.gz VZGQTHPXTPNFIZ-UHFFFAOYSA-N 2 2 348.450 3.260 10 0 EGAELP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000096189515 1292948458 /nfs/dbraw/zinc/94/84/58/1292948458.db2.gz VZGQTHPXTPNFIZ-UHFFFAOYSA-N 2 2 348.450 3.260 10 0 EGAELP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000096189515 1292948463 /nfs/dbraw/zinc/94/84/63/1292948463.db2.gz VZGQTHPXTPNFIZ-UHFFFAOYSA-N 2 2 348.450 3.260 10 0 EGAELP Fc1ccc(-c2ccn(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000152093323 1293953471 /nfs/dbraw/zinc/95/34/71/1293953471.db2.gz GFUTYHRFZNFQNB-UHFFFAOYSA-N 2 2 325.391 3.180 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)Cc2ccccc2C1 ZINC000872038103 1296690554 /nfs/dbraw/zinc/69/05/54/1296690554.db2.gz IMNHVGCZQQPJLY-MOPGFXCFSA-N 2 2 330.516 3.269 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000872149170 1296769751 /nfs/dbraw/zinc/76/97/51/1296769751.db2.gz MMSRZWSWDNLLCL-ONGXEEELSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000872149170 1296769762 /nfs/dbraw/zinc/76/97/62/1296769762.db2.gz MMSRZWSWDNLLCL-ONGXEEELSA-N 2 2 340.361 3.126 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cc1 ZINC000872149576 1296770483 /nfs/dbraw/zinc/77/04/83/1296770483.db2.gz OSFQUSKRLPKAPG-DZGCQCFKSA-N 2 2 339.361 3.219 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cc1 ZINC000872149576 1296770495 /nfs/dbraw/zinc/77/04/95/1296770495.db2.gz OSFQUSKRLPKAPG-DZGCQCFKSA-N 2 2 339.361 3.219 10 0 EGAELP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156332 1296775586 /nfs/dbraw/zinc/77/55/86/1296775586.db2.gz IDHIDNWCRQYRLA-WMLDXEAASA-N 2 2 332.492 3.457 10 0 EGAELP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156332 1296775596 /nfs/dbraw/zinc/77/55/96/1296775596.db2.gz IDHIDNWCRQYRLA-WMLDXEAASA-N 2 2 332.492 3.457 10 0 EGAELP O[C@]1(C[NH2+]Cc2csc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000702552710 1298195114 /nfs/dbraw/zinc/19/51/14/1298195114.db2.gz ATRPEJYNTWQKJN-KRWDZBQOSA-N 2 2 336.888 3.128 10 0 EGAELP O[C@]1(C[NH2+]Cc2csc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702552710 1298195117 /nfs/dbraw/zinc/19/51/17/1298195117.db2.gz ATRPEJYNTWQKJN-KRWDZBQOSA-N 2 2 336.888 3.128 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397930 1299972801 /nfs/dbraw/zinc/97/28/01/1299972801.db2.gz TWKABPBGOWBNRB-APWZRJJASA-N 2 2 341.455 3.251 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886004747 1303315609 /nfs/dbraw/zinc/31/56/09/1303315609.db2.gz ZWXPQFQSOLBWDO-AEFFLSMTSA-N 2 2 341.455 3.251 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cn3cccc(F)c3n2)c2cccc[nH+]2)CC1 ZINC000895110552 1309195507 /nfs/dbraw/zinc/19/55/07/1309195507.db2.gz PATMUPQNPUTAOJ-KOMQPUFPSA-N 2 2 339.418 3.145 10 0 EGAELP CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000895577532 1309411088 /nfs/dbraw/zinc/41/10/88/1309411088.db2.gz MNVIGAKKSKFFBF-ZDUSSCGKSA-N 2 2 331.363 3.087 10 0 EGAELP CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000895577532 1309411090 /nfs/dbraw/zinc/41/10/90/1309411090.db2.gz MNVIGAKKSKFFBF-ZDUSSCGKSA-N 2 2 331.363 3.087 10 0 EGAELP FC(F)(F)[C@H]1CC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129497 1328792539 /nfs/dbraw/zinc/79/25/39/1328792539.db2.gz QKLQLIZGCWENBK-ZIAGYGMSSA-N 2 2 329.366 3.068 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2c3c(nn2C)CCC3)c(C)c1 ZINC000921919844 1322423006 /nfs/dbraw/zinc/42/30/06/1322423006.db2.gz CEVWGELNPGZYBP-FQEVSTJZSA-N 2 2 349.482 3.253 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000922212234 1322479415 /nfs/dbraw/zinc/47/94/15/1322479415.db2.gz PNZNJNJWBCTIHK-ZBFHGGJFSA-N 2 2 332.879 3.061 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000922212234 1322479417 /nfs/dbraw/zinc/47/94/17/1322479417.db2.gz PNZNJNJWBCTIHK-ZBFHGGJFSA-N 2 2 332.879 3.061 10 0 EGAELP FC(F)(F)CN1CCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922709720 1322599379 /nfs/dbraw/zinc/59/93/79/1322599379.db2.gz MXRDTVUVRGSDCU-GFCCVEGCSA-N 2 2 344.406 3.050 10 0 EGAELP CC1(C)C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C[N@@H+]1Cc1ccccc1 ZINC000922717581 1322602099 /nfs/dbraw/zinc/60/20/99/1322602099.db2.gz LDQXRDBOSSAUGP-YRPNKDGESA-N 2 2 326.484 3.220 10 0 EGAELP CC1(C)C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C[N@H+]1Cc1ccccc1 ZINC000922717581 1322602104 /nfs/dbraw/zinc/60/21/04/1322602104.db2.gz LDQXRDBOSSAUGP-YRPNKDGESA-N 2 2 326.484 3.220 10 0 EGAELP CC[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743240 1322607719 /nfs/dbraw/zinc/60/77/19/1322607719.db2.gz OZDCRVRZNKWJGS-WOJBJXKFSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743240 1322607725 /nfs/dbraw/zinc/60/77/25/1322607725.db2.gz OZDCRVRZNKWJGS-WOJBJXKFSA-N 2 2 346.515 3.215 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924659200 1323098683 /nfs/dbraw/zinc/09/86/83/1323098683.db2.gz CVWANLZHLHAJTG-LXZJYRNTSA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924659200 1323098691 /nfs/dbraw/zinc/09/86/91/1323098691.db2.gz CVWANLZHLHAJTG-LXZJYRNTSA-N 2 2 332.536 3.292 10 0 EGAELP COc1ccc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000924796501 1323165619 /nfs/dbraw/zinc/16/56/19/1323165619.db2.gz WMYTWUSJQRLRFH-MSOLQXFVSA-N 2 2 332.488 3.243 10 0 EGAELP COc1ccc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000924796501 1323165624 /nfs/dbraw/zinc/16/56/24/1323165624.db2.gz WMYTWUSJQRLRFH-MSOLQXFVSA-N 2 2 332.488 3.243 10 0 EGAELP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861757 1323190149 /nfs/dbraw/zinc/19/01/49/1323190149.db2.gz LPTYWLQAWSVPOG-INIZCTEOSA-N 2 2 329.444 3.091 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2ccccc21 ZINC000924964122 1323230733 /nfs/dbraw/zinc/23/07/33/1323230733.db2.gz IZDMBJXLEJDJDW-IPELMVKDSA-N 2 2 340.467 3.362 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc2ccccc21 ZINC000924964122 1323230737 /nfs/dbraw/zinc/23/07/37/1323230737.db2.gz IZDMBJXLEJDJDW-IPELMVKDSA-N 2 2 340.467 3.362 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925089122 1323276577 /nfs/dbraw/zinc/27/65/77/1323276577.db2.gz NKCPKBKIOKHUDS-HSALFYBXSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925089122 1323276582 /nfs/dbraw/zinc/27/65/82/1323276582.db2.gz NKCPKBKIOKHUDS-HSALFYBXSA-N 2 2 332.488 3.114 10 0 EGAELP CCSc1ccccc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284093 1329085219 /nfs/dbraw/zinc/08/52/19/1329085219.db2.gz NYNVLIOZQFNHSP-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP CCSc1ccccc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284093 1329085224 /nfs/dbraw/zinc/08/52/24/1329085224.db2.gz NYNVLIOZQFNHSP-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931310097 1329091147 /nfs/dbraw/zinc/09/11/47/1329091147.db2.gz HSTMIJICFWGJJG-KDURUIRLSA-N 2 2 347.528 3.234 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931310097 1329091151 /nfs/dbraw/zinc/09/11/51/1329091151.db2.gz HSTMIJICFWGJJG-KDURUIRLSA-N 2 2 347.528 3.234 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931310097 1329091152 /nfs/dbraw/zinc/09/11/52/1329091152.db2.gz HSTMIJICFWGJJG-KDURUIRLSA-N 2 2 347.528 3.234 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931310097 1329091158 /nfs/dbraw/zinc/09/11/58/1329091158.db2.gz HSTMIJICFWGJJG-KDURUIRLSA-N 2 2 347.528 3.234 10 0 EGAELP CC1(C)[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495283 1325177017 /nfs/dbraw/zinc/17/70/17/1325177017.db2.gz TWQRCQVVVYRPIK-AABGKKOBSA-N 3 2 327.516 3.017 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925532498 1325195289 /nfs/dbraw/zinc/19/52/89/1325195289.db2.gz GVKJZVAMYZERCF-BRWVUGGUSA-N 2 2 330.451 3.144 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925532502 1325195446 /nfs/dbraw/zinc/19/54/46/1325195446.db2.gz GVKJZVAMYZERCF-IXDOHACOSA-N 2 2 330.451 3.144 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540167 1325198944 /nfs/dbraw/zinc/19/89/44/1325198944.db2.gz AKYSXEMJIJOQDU-VLQCVTHLSA-N 3 2 341.543 3.406 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000925540167 1325198949 /nfs/dbraw/zinc/19/89/49/1325198949.db2.gz AKYSXEMJIJOQDU-VLQCVTHLSA-N 3 2 341.543 3.406 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777331 1325297510 /nfs/dbraw/zinc/29/75/10/1325297510.db2.gz DFCQJNAWXZBIDZ-RYUDHWBXSA-N 2 2 334.357 3.492 10 0 EGAELP C[C@H]1COC[C@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926329936 1325518429 /nfs/dbraw/zinc/51/84/29/1325518429.db2.gz IFUOAKXKZUFYGF-XOEAPDPESA-N 2 2 334.426 3.052 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000926450915 1325559703 /nfs/dbraw/zinc/55/97/03/1325559703.db2.gz TWLSBKBKPWWABN-BXUZGUMPSA-N 2 2 347.260 3.092 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+](C)C ZINC000926962809 1327800520 /nfs/dbraw/zinc/80/05/20/1327800520.db2.gz NCIXZPHCFUPXNO-CMPLNLGQSA-N 2 2 334.291 3.193 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060858 1327834728 /nfs/dbraw/zinc/83/47/28/1327834728.db2.gz DIRZASILMBFKTH-DBVUQKKJSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060858 1327834733 /nfs/dbraw/zinc/83/47/33/1327834733.db2.gz DIRZASILMBFKTH-DBVUQKKJSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927101471 1327862841 /nfs/dbraw/zinc/86/28/41/1327862841.db2.gz DEXXMVRVKIWBEI-QFBILLFUSA-N 2 2 341.499 3.332 10 0 EGAELP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927101471 1327862847 /nfs/dbraw/zinc/86/28/47/1327862847.db2.gz DEXXMVRVKIWBEI-QFBILLFUSA-N 2 2 341.499 3.332 10 0 EGAELP Cc1c(F)nccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000862350804 1329476838 /nfs/dbraw/zinc/47/68/38/1329476838.db2.gz BUBGKLDOAJKHBI-UHFFFAOYSA-N 2 2 328.435 3.442 10 0 EGAELP COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000865820041 1329741974 /nfs/dbraw/zinc/74/19/74/1329741974.db2.gz GOLPKPALRUJYQK-AWEZNQCLSA-N 2 2 341.436 3.036 10 0 EGAELP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccn1 ZINC000866266838 1330087791 /nfs/dbraw/zinc/08/77/91/1330087791.db2.gz SDXKRWDRAJBRPJ-OALUTQOASA-N 2 2 331.504 3.464 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001323946296 1387499177 /nfs/dbraw/zinc/49/91/77/1387499177.db2.gz MHHJWLCCHGJZQJ-CQSZACIVSA-N 2 2 328.460 3.001 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001324508842 1387656527 /nfs/dbraw/zinc/65/65/27/1387656527.db2.gz DFYHSIVWJMZAJJ-IBGZPJMESA-N 2 2 346.519 3.106 10 0 EGAELP CCN(CCC[NH+](CC)CC)c1nc2ccccc2n2c[nH+]cc12 ZINC001186155689 1387884146 /nfs/dbraw/zinc/88/41/46/1387884146.db2.gz CSQKZYMAJPVFMS-UHFFFAOYSA-N 2 2 325.460 3.441 10 0 EGAELP c1cn(C[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)c2ccccc2)c[nH+]1 ZINC001197274786 1368776771 /nfs/dbraw/zinc/77/67/71/1368776771.db2.gz PEKAUAYGLYJRLM-RTBURBONSA-N 2 2 341.455 3.290 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC001198790745 1369114959 /nfs/dbraw/zinc/11/49/59/1369114959.db2.gz NPSUAVZEKOISIG-SJLPKXTDSA-N 2 2 335.492 3.361 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC001198790745 1369114965 /nfs/dbraw/zinc/11/49/65/1369114965.db2.gz NPSUAVZEKOISIG-SJLPKXTDSA-N 2 2 335.492 3.361 10 0 EGAELP O=C(NCC1([NH2+]CC2CCCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001326835682 1388325928 /nfs/dbraw/zinc/32/59/28/1388325928.db2.gz WWWBFRWHINNQCJ-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C(NCC1([NH2+]CC2CCCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001326835682 1388325934 /nfs/dbraw/zinc/32/59/34/1388325934.db2.gz WWWBFRWHINNQCJ-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156508 1388410829 /nfs/dbraw/zinc/41/08/29/1388410829.db2.gz MAZBWNOXEGHBRL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156508 1388410833 /nfs/dbraw/zinc/41/08/33/1388410833.db2.gz MAZBWNOXEGHBRL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266744681 1377373139 /nfs/dbraw/zinc/37/31/39/1377373139.db2.gz SLAOIWFWTVJOBA-UHFFFAOYSA-N 2 2 348.450 3.302 10 0 EGAELP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282809664 1378621225 /nfs/dbraw/zinc/62/12/25/1378621225.db2.gz GCXVWJQMHVBHTH-QZTJIDSGSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282809664 1378621227 /nfs/dbraw/zinc/62/12/27/1378621227.db2.gz GCXVWJQMHVBHTH-QZTJIDSGSA-N 2 2 348.535 3.343 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001283268448 1378777526 /nfs/dbraw/zinc/77/75/26/1378777526.db2.gz KWQSUICNKWCVEE-CVEARBPZSA-N 2 2 342.487 3.205 10 0 EGAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001283704782 1379131280 /nfs/dbraw/zinc/13/12/80/1379131280.db2.gz XVPIWVBJGQHKQN-GFCCVEGCSA-N 2 2 348.516 3.002 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630887 1380034479 /nfs/dbraw/zinc/03/44/79/1380034479.db2.gz KMFULOPYDAWPHZ-YOEHRIQHSA-N 2 2 348.535 3.145 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630887 1380034483 /nfs/dbraw/zinc/03/44/83/1380034483.db2.gz KMFULOPYDAWPHZ-YOEHRIQHSA-N 2 2 348.535 3.145 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](CC[C@H]3CCCC3(F)F)CC2)c1 ZINC001307463053 1383995428 /nfs/dbraw/zinc/99/54/28/1383995428.db2.gz ZHSSCUFVOXYBJI-CQSZACIVSA-N 2 2 325.403 3.038 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001308086715 1384089298 /nfs/dbraw/zinc/08/92/98/1384089298.db2.gz CAOOTTBYJORJHR-HSALFYBXSA-N 2 2 344.499 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001308086715 1384089302 /nfs/dbraw/zinc/08/93/02/1384089302.db2.gz CAOOTTBYJORJHR-HSALFYBXSA-N 2 2 344.499 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308086715 1384089316 /nfs/dbraw/zinc/08/93/16/1384089316.db2.gz CAOOTTBYJORJHR-HSALFYBXSA-N 2 2 344.499 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308086715 1384089317 /nfs/dbraw/zinc/08/93/17/1384089317.db2.gz CAOOTTBYJORJHR-HSALFYBXSA-N 2 2 344.499 3.028 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001316725245 1384544926 /nfs/dbraw/zinc/54/49/26/1384544926.db2.gz YDVKEBXZTXYSID-LZQZEXGQSA-N 2 2 346.519 3.056 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001316725245 1384544928 /nfs/dbraw/zinc/54/49/28/1384544928.db2.gz YDVKEBXZTXYSID-LZQZEXGQSA-N 2 2 346.519 3.056 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316877248 1384661192 /nfs/dbraw/zinc/66/11/92/1384661192.db2.gz DVPSANVRUXWPPS-ZHHRLCKPSA-N 2 2 346.519 3.068 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317139656 1384905952 /nfs/dbraw/zinc/90/59/52/1384905952.db2.gz MWIDUNJCGKMBHS-CWDCEQMOSA-N 2 2 340.471 3.361 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317139656 1384905954 /nfs/dbraw/zinc/90/59/54/1384905954.db2.gz MWIDUNJCGKMBHS-CWDCEQMOSA-N 2 2 340.471 3.361 10 0 EGAELP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317383873 1385108663 /nfs/dbraw/zinc/10/86/63/1385108663.db2.gz QAJZBFQYFIVUTD-ROUUACIJSA-N 2 2 334.508 3.337 10 0 EGAELP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317383873 1385108664 /nfs/dbraw/zinc/10/86/64/1385108664.db2.gz QAJZBFQYFIVUTD-ROUUACIJSA-N 2 2 334.508 3.337 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841321 1385527221 /nfs/dbraw/zinc/52/72/21/1385527221.db2.gz BNPXNYJQOMZYEI-YIEVGGLXSA-N 2 2 340.471 3.313 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841321 1385527224 /nfs/dbraw/zinc/52/72/24/1385527224.db2.gz BNPXNYJQOMZYEI-YIEVGGLXSA-N 2 2 340.471 3.313 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665233 1385651594 /nfs/dbraw/zinc/65/15/94/1385651594.db2.gz URNFVWXTMWZWPA-PBHICJAKSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665233 1385651597 /nfs/dbraw/zinc/65/15/97/1385651597.db2.gz URNFVWXTMWZWPA-PBHICJAKSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665233 1385651600 /nfs/dbraw/zinc/65/16/00/1385651600.db2.gz URNFVWXTMWZWPA-PBHICJAKSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665233 1385651602 /nfs/dbraw/zinc/65/16/02/1385651602.db2.gz URNFVWXTMWZWPA-PBHICJAKSA-N 2 2 344.952 3.500 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483685 1385715130 /nfs/dbraw/zinc/71/51/30/1385715130.db2.gz GWWHVPJRAQATDC-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483685 1385715133 /nfs/dbraw/zinc/71/51/33/1385715133.db2.gz GWWHVPJRAQATDC-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483685 1385715136 /nfs/dbraw/zinc/71/51/36/1385715136.db2.gz GWWHVPJRAQATDC-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483685 1385715138 /nfs/dbraw/zinc/71/51/38/1385715138.db2.gz GWWHVPJRAQATDC-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC001318905314 1385877432 /nfs/dbraw/zinc/87/74/32/1385877432.db2.gz YZVXCAWBQRKKDE-UHFFFAOYSA-N 2 2 346.519 3.072 10 0 EGAELP CCC[NH2+]Cc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001318999201 1385917808 /nfs/dbraw/zinc/91/78/08/1385917808.db2.gz RWYCAVGICOIRQD-UHFFFAOYSA-N 2 2 325.456 3.436 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001319029494 1385935078 /nfs/dbraw/zinc/93/50/78/1385935078.db2.gz IHOKYLHYWSCOOE-UHFFFAOYSA-N 2 2 348.535 3.007 10 0 EGAELP CC(C)=CC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001319038345 1385939716 /nfs/dbraw/zinc/93/97/16/1385939716.db2.gz MHRWXGHHBSHVCG-QGZVFWFLSA-N 2 2 332.492 3.019 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001319379184 1386091790 /nfs/dbraw/zinc/09/17/90/1386091790.db2.gz LZZPEDMIQICFAJ-INIZCTEOSA-N 2 2 344.503 3.107 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001319379184 1386091796 /nfs/dbraw/zinc/09/17/96/1386091796.db2.gz LZZPEDMIQICFAJ-INIZCTEOSA-N 2 2 344.503 3.107 10 0 EGAELP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320021714 1386457619 /nfs/dbraw/zinc/45/76/19/1386457619.db2.gz RPCWAATZWWYLBS-HXUWFJFHSA-N 2 2 348.450 3.254 10 0 EGAELP 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/nfs/dbraw/zinc/23/84/89/1389238489.db2.gz GMFGTPKLPJUWGX-UHFFFAOYSA-N 2 2 334.508 3.106 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CCC3CC3)C(C)C)ccn12 ZINC001331198947 1389651519 /nfs/dbraw/zinc/65/15/19/1389651519.db2.gz AQJMTLHTKLEONZ-GOSISDBHSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001331576745 1389809944 /nfs/dbraw/zinc/80/99/44/1389809944.db2.gz UUTFSBGRHMWTFW-DLBZAZTESA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]C/C=C/Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332821881 1390193483 /nfs/dbraw/zinc/19/34/83/1390193483.db2.gz AACCNNQLZMZYNE-CSPWOOARSA-N 2 2 334.851 3.050 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001333314712 1390282447 /nfs/dbraw/zinc/28/24/47/1390282447.db2.gz SWDSBXSGZBIBMK-CHWSQXEVSA-N 2 2 344.425 3.182 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001333314712 1390282450 /nfs/dbraw/zinc/28/24/50/1390282450.db2.gz SWDSBXSGZBIBMK-CHWSQXEVSA-N 2 2 344.425 3.182 10 0 EGAELP CCn1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC001334351170 1390522006 /nfs/dbraw/zinc/52/20/06/1390522006.db2.gz XAHYADPARMSICX-QFBILLFUSA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC001334351170 1390522007 /nfs/dbraw/zinc/52/20/07/1390522007.db2.gz XAHYADPARMSICX-QFBILLFUSA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC001334351170 1390522008 /nfs/dbraw/zinc/52/20/08/1390522008.db2.gz XAHYADPARMSICX-QFBILLFUSA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC001334351170 1390522009 /nfs/dbraw/zinc/52/20/09/1390522009.db2.gz XAHYADPARMSICX-QFBILLFUSA-N 2 2 326.488 3.485 10 0 EGAELP C[NH+]1CCC(CC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001349743382 1391361634 /nfs/dbraw/zinc/36/16/34/1391361634.db2.gz CSOYSZNYODXMKP-KRWDZBQOSA-N 2 2 346.519 3.076 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)c12 ZINC001351988265 1391739781 /nfs/dbraw/zinc/73/97/81/1391739781.db2.gz XSDPWJQJSSCVNN-OALUTQOASA-N 2 2 347.466 3.220 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)c12 ZINC001351988265 1391739782 /nfs/dbraw/zinc/73/97/82/1391739782.db2.gz XSDPWJQJSSCVNN-OALUTQOASA-N 2 2 347.466 3.220 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@H]([NH2+]CCC(C)(C)C)C3)ccn12 ZINC001479369506 1392226601 /nfs/dbraw/zinc/22/66/01/1392226601.db2.gz VSLUSJJHVLRLAC-JCNLHEQBSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001479708805 1392332183 /nfs/dbraw/zinc/33/21/83/1392332183.db2.gz ALMOYSTXSDLOEK-INMHGKMJSA-N 2 2 342.487 3.438 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001479708805 1392332186 /nfs/dbraw/zinc/33/21/86/1392332186.db2.gz ALMOYSTXSDLOEK-INMHGKMJSA-N 2 2 342.487 3.438 10 0 EGAELP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001479889463 1392460320 /nfs/dbraw/zinc/46/03/20/1392460320.db2.gz BDBJJJMBHXANAD-IBGZPJMESA-N 2 2 348.535 3.439 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189627 1392619340 /nfs/dbraw/zinc/61/93/40/1392619340.db2.gz PYQBDHCDKDMAFA-PKVWGGKHSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189627 1392619343 /nfs/dbraw/zinc/61/93/43/1392619343.db2.gz PYQBDHCDKDMAFA-PKVWGGKHSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328559 1392688151 /nfs/dbraw/zinc/68/81/51/1392688151.db2.gz VYIZZNWQUWSNKU-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328559 1392688152 /nfs/dbraw/zinc/68/81/52/1392688152.db2.gz VYIZZNWQUWSNKU-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001480552642 1392789919 /nfs/dbraw/zinc/78/99/19/1392789919.db2.gz KZMAOQSNTHYCNG-JKSUJKDBSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001480552642 1392789923 /nfs/dbraw/zinc/78/99/23/1392789923.db2.gz KZMAOQSNTHYCNG-JKSUJKDBSA-N 2 2 342.487 3.006 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1CCC1CC1)c1cccc2[nH+]ccn21 ZINC001480823911 1392961804 /nfs/dbraw/zinc/96/18/04/1392961804.db2.gz LTHZACSZLXFVRP-KRWDZBQOSA-N 2 2 340.471 3.109 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1CCC1CC1)c1cccc2[nH+]ccn21 ZINC001480823911 1392961806 /nfs/dbraw/zinc/96/18/06/1392961806.db2.gz LTHZACSZLXFVRP-KRWDZBQOSA-N 2 2 340.471 3.109 10 0 EGAELP CC[N@@H+](C/C=C\Cl)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001490337633 1393176325 /nfs/dbraw/zinc/17/63/25/1393176325.db2.gz JQHXZBBSEWYXKD-OQFOIZHKSA-N 2 2 346.862 3.067 10 0 EGAELP CC[N@H+](C/C=C\Cl)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001490337633 1393176330 /nfs/dbraw/zinc/17/63/30/1393176330.db2.gz JQHXZBBSEWYXKD-OQFOIZHKSA-N 2 2 346.862 3.067 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)n1cc[nH+]c1 ZINC001490932037 1394378068 /nfs/dbraw/zinc/37/80/68/1394378068.db2.gz KTIFANHTNYEQRS-SZMVWBNQSA-N 2 2 344.503 3.041 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C[NH2+]CCC(C)C)C3)ccn12 ZINC001491152173 1394451756 /nfs/dbraw/zinc/45/17/56/1394451756.db2.gz PEKDVRBLUNZGBK-QGZVFWFLSA-N 2 2 342.487 3.131 10 0 EGAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481770732 1394513749 /nfs/dbraw/zinc/51/37/49/1394513749.db2.gz GYSBQUWQCSALPB-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001481770732 1394513753 /nfs/dbraw/zinc/51/37/53/1394513753.db2.gz GYSBQUWQCSALPB-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001698954651 1406700230 /nfs/dbraw/zinc/70/02/30/1406700230.db2.gz VBKHADJIMSQEMU-YJBOKZPZSA-N 2 2 348.535 3.304 10 0 EGAELP CCCCC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001481959728 1394620385 /nfs/dbraw/zinc/62/03/85/1394620385.db2.gz AYWPULONEYMHNY-BEFAXECRSA-N 2 2 334.508 3.106 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCC(C)(C)C ZINC001698965243 1406723248 /nfs/dbraw/zinc/72/32/48/1406723248.db2.gz DDZBTZCVPMZUJT-SJLPKXTDSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001483916024 1395143621 /nfs/dbraw/zinc/14/36/21/1395143621.db2.gz KMHKKPAXMFAPRK-DLBZAZTESA-N 2 2 348.535 3.148 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001485214067 1395709756 /nfs/dbraw/zinc/70/97/56/1395709756.db2.gz DKBXQYIMLWUZMQ-HUUCEWRRSA-N 2 2 342.487 3.067 10 0 EGAELP CCC/C=C\CC[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990988 1406780424 /nfs/dbraw/zinc/78/04/24/1406780424.db2.gz HVTCEIJXYWVZMY-SREVYHEPSA-N 2 2 328.460 3.313 10 0 EGAELP CCC/C=C\CC[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990988 1406780426 /nfs/dbraw/zinc/78/04/26/1406780426.db2.gz HVTCEIJXYWVZMY-SREVYHEPSA-N 2 2 328.460 3.313 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485483550 1395969436 /nfs/dbraw/zinc/96/94/36/1395969436.db2.gz WTXJISQVSGAGQN-LPHOPBHVSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485483550 1395969439 /nfs/dbraw/zinc/96/94/39/1395969439.db2.gz WTXJISQVSGAGQN-LPHOPBHVSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485483550 1395969444 /nfs/dbraw/zinc/96/94/44/1395969444.db2.gz WTXJISQVSGAGQN-LPHOPBHVSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485483550 1395969445 /nfs/dbraw/zinc/96/94/45/1395969445.db2.gz WTXJISQVSGAGQN-LPHOPBHVSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001485759344 1396135087 /nfs/dbraw/zinc/13/50/87/1396135087.db2.gz RCQDPALGHBTECF-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001485759344 1396135089 /nfs/dbraw/zinc/13/50/89/1396135089.db2.gz RCQDPALGHBTECF-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001485759344 1396135090 /nfs/dbraw/zinc/13/50/90/1396135090.db2.gz RCQDPALGHBTECF-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001485759344 1396135093 /nfs/dbraw/zinc/13/50/93/1396135093.db2.gz RCQDPALGHBTECF-KBAYOESNSA-N 2 2 346.519 3.118 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146418 1396382519 /nfs/dbraw/zinc/38/25/19/1396382519.db2.gz RHFCCNAOOMZAJE-AKBADGPISA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146418 1396382523 /nfs/dbraw/zinc/38/25/23/1396382523.db2.gz RHFCCNAOOMZAJE-AKBADGPISA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146418 1396382530 /nfs/dbraw/zinc/38/25/30/1396382530.db2.gz RHFCCNAOOMZAJE-AKBADGPISA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146418 1396382537 /nfs/dbraw/zinc/38/25/37/1396382537.db2.gz RHFCCNAOOMZAJE-AKBADGPISA-N 2 2 344.503 3.040 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001496182096 1396621442 /nfs/dbraw/zinc/62/14/42/1396621442.db2.gz CQAWBQVEKLVIMC-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001496182096 1396621451 /nfs/dbraw/zinc/62/14/51/1396621451.db2.gz CQAWBQVEKLVIMC-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001689059025 1396861463 /nfs/dbraw/zinc/86/14/63/1396861463.db2.gz RWTUGQRTUMENGJ-RTBURBONSA-N 2 2 346.519 3.236 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001689271533 1397007589 /nfs/dbraw/zinc/00/75/89/1397007589.db2.gz LQEXFBPFBFOLDK-FUTAKVPZSA-N 2 2 346.519 3.404 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001689298627 1397024902 /nfs/dbraw/zinc/02/49/02/1397024902.db2.gz KRLVEQRDPJWMLM-SQNIBIBYSA-N 2 2 334.508 3.240 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001689298627 1397024905 /nfs/dbraw/zinc/02/49/05/1397024905.db2.gz KRLVEQRDPJWMLM-SQNIBIBYSA-N 2 2 334.508 3.240 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)c1ccccc1Cl ZINC001689962122 1404229376 /nfs/dbraw/zinc/22/93/76/1404229376.db2.gz VYGCLRGTNBGJBL-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)c1ccccc1Cl ZINC001689962122 1404229377 /nfs/dbraw/zinc/22/93/77/1404229377.db2.gz VYGCLRGTNBGJBL-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001690024854 1404263634 /nfs/dbraw/zinc/26/36/34/1404263634.db2.gz UPLJVQRUYNJDOY-VOTSOKGWSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690194744 1404401463 /nfs/dbraw/zinc/40/14/63/1404401463.db2.gz NDHFPEKUTHEFMP-MSOLQXFVSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690194744 1404401467 /nfs/dbraw/zinc/40/14/67/1404401467.db2.gz NDHFPEKUTHEFMP-MSOLQXFVSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690194744 1404401468 /nfs/dbraw/zinc/40/14/68/1404401468.db2.gz NDHFPEKUTHEFMP-MSOLQXFVSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690194744 1404401471 /nfs/dbraw/zinc/40/14/71/1404401471.db2.gz NDHFPEKUTHEFMP-MSOLQXFVSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390536 1404528899 /nfs/dbraw/zinc/52/88/99/1404528899.db2.gz QZEWQGQZIMYGLV-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390536 1404528902 /nfs/dbraw/zinc/52/89/02/1404528902.db2.gz QZEWQGQZIMYGLV-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001690474764 1404597738 /nfs/dbraw/zinc/59/77/38/1404597738.db2.gz ROBPVGDIEWWGPZ-RHSMWYFYSA-N 2 2 335.467 3.339 10 0 EGAELP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001691033884 1404943573 /nfs/dbraw/zinc/94/35/73/1404943573.db2.gz CBEPMRIEPHAGHQ-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001691033884 1404943575 /nfs/dbraw/zinc/94/35/75/1404943575.db2.gz CBEPMRIEPHAGHQ-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001725731357 1426402066 /nfs/dbraw/zinc/40/20/66/1426402066.db2.gz RGQPEFWDQPECHH-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001725731357 1426402068 /nfs/dbraw/zinc/40/20/68/1426402068.db2.gz RGQPEFWDQPECHH-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001725747991 1426426205 /nfs/dbraw/zinc/42/62/05/1426426205.db2.gz SYGTXQVXTKJXSP-QGZVFWFLSA-N 2 2 330.476 3.343 10 0 EGAELP CN(C[C@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691410069 1405247390 /nfs/dbraw/zinc/24/73/90/1405247390.db2.gz LHEVSESCFBNQCN-QGZVFWFLSA-N 2 2 346.519 3.190 10 0 EGAELP CN(C[C@H]1CC[N@H+]1CCCC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691410069 1405247393 /nfs/dbraw/zinc/24/73/93/1405247393.db2.gz LHEVSESCFBNQCN-QGZVFWFLSA-N 2 2 346.519 3.190 10 0 EGAELP C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001691687872 1405422794 /nfs/dbraw/zinc/42/27/94/1405422794.db2.gz XMPVCARXTNYOIC-MRXNPFEDSA-N 2 2 344.503 3.059 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001691818700 1405533863 /nfs/dbraw/zinc/53/38/63/1405533863.db2.gz IEILGPGASWXERD-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001691818700 1405533866 /nfs/dbraw/zinc/53/38/66/1405533866.db2.gz IEILGPGASWXERD-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1)n1cc[nH+]c1 ZINC001691818923 1405535488 /nfs/dbraw/zinc/53/54/88/1405535488.db2.gz MGYSVOSGXXKLKS-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1)n1cc[nH+]c1 ZINC001691818923 1405535491 /nfs/dbraw/zinc/53/54/91/1405535491.db2.gz MGYSVOSGXXKLKS-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001691926911 1405658591 /nfs/dbraw/zinc/65/85/91/1405658591.db2.gz YXSVEHHQFRZLQI-SOLBZPMBSA-N 2 2 346.519 3.145 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001691960711 1405678365 /nfs/dbraw/zinc/67/83/65/1405678365.db2.gz VNLBCAHWCUKDSO-QGZVFWFLSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001691960711 1405678372 /nfs/dbraw/zinc/67/83/72/1405678372.db2.gz VNLBCAHWCUKDSO-QGZVFWFLSA-N 2 2 346.519 3.236 10 0 EGAELP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691965758 1405682961 /nfs/dbraw/zinc/68/29/61/1405682961.db2.gz UFUDLVOPCFFGPY-ROUUACIJSA-N 2 2 334.508 3.051 10 0 EGAELP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691965758 1405682963 /nfs/dbraw/zinc/68/29/63/1405682963.db2.gz UFUDLVOPCFFGPY-ROUUACIJSA-N 2 2 334.508 3.051 10 0 EGAELP CCC[N@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013500 1405732599 /nfs/dbraw/zinc/73/25/99/1405732599.db2.gz GQFIPUFRMGBWBS-SFHVURJKSA-N 2 2 334.508 3.051 10 0 EGAELP CCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013500 1405732605 /nfs/dbraw/zinc/73/26/05/1405732605.db2.gz GQFIPUFRMGBWBS-SFHVURJKSA-N 2 2 334.508 3.051 10 0 EGAELP CCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013499 1405732614 /nfs/dbraw/zinc/73/26/14/1405732614.db2.gz GQFIPUFRMGBWBS-GOSISDBHSA-N 2 2 334.508 3.051 10 0 EGAELP CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013499 1405732616 /nfs/dbraw/zinc/73/26/16/1405732616.db2.gz GQFIPUFRMGBWBS-GOSISDBHSA-N 2 2 334.508 3.051 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692121576 1405784254 /nfs/dbraw/zinc/78/42/54/1405784254.db2.gz VQOGDFDZQYVGMU-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692121576 1405784258 /nfs/dbraw/zinc/78/42/58/1405784258.db2.gz VQOGDFDZQYVGMU-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692321949 1405940708 /nfs/dbraw/zinc/94/07/08/1405940708.db2.gz IHAPRIZLSQGJTJ-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692321949 1405940713 /nfs/dbraw/zinc/94/07/13/1405940713.db2.gz IHAPRIZLSQGJTJ-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692332752 1405952136 /nfs/dbraw/zinc/95/21/36/1405952136.db2.gz FAKLTNHXUUWUQY-QGZVFWFLSA-N 2 2 348.535 3.484 10 0 EGAELP C[C@@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001732252582 1428494478 /nfs/dbraw/zinc/49/44/78/1428494478.db2.gz HMYRNEXZUYQBGX-FQEVSTJZSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CCC1CCCCC1)C1CC1 ZINC001732254547 1428495848 /nfs/dbraw/zinc/49/58/48/1428495848.db2.gz UHGFTXHXMVESRD-HXUWFJFHSA-N 2 2 346.519 3.106 10 0 EGAELP CCCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001732393670 1428562136 /nfs/dbraw/zinc/56/21/36/1428562136.db2.gz WNPJJRJUOFFKTK-UHFFFAOYSA-N 2 2 328.460 3.157 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001732422538 1428574783 /nfs/dbraw/zinc/57/47/83/1428574783.db2.gz HDEUMERNEXJFDR-RDJZCZTQSA-N 2 2 348.516 3.169 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]CC3=CCCCC3)ccn12 ZINC001699506897 1412895444 /nfs/dbraw/zinc/89/54/44/1412895444.db2.gz LSRYEICLNNAPDV-UHFFFAOYSA-N 2 2 340.471 3.195 10 0 EGAELP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699518142 1412901933 /nfs/dbraw/zinc/90/19/33/1412901933.db2.gz HCOAGFKCBVXIKS-UHFFFAOYSA-N 2 2 328.460 3.051 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001699734886 1413146196 /nfs/dbraw/zinc/14/61/96/1413146196.db2.gz BZKMJPODNQFKPX-SJORKVTESA-N 2 2 342.487 3.353 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001699752236 1413159997 /nfs/dbraw/zinc/15/99/97/1413159997.db2.gz PFTAHUGUBAZONA-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001699977797 1413421543 /nfs/dbraw/zinc/42/15/43/1413421543.db2.gz LEDXLOKMKPGDQA-FKSLSLAPSA-N 2 2 346.519 3.240 10 0 EGAELP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001699977797 1413421545 /nfs/dbraw/zinc/42/15/45/1413421545.db2.gz LEDXLOKMKPGDQA-FKSLSLAPSA-N 2 2 346.519 3.240 10 0 EGAELP C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732551946 1428736087 /nfs/dbraw/zinc/73/60/87/1428736087.db2.gz PGVRKHDINCVGKR-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[N@@H+](CCCC1CCC1)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732551946 1428736091 /nfs/dbraw/zinc/73/60/91/1428736091.db2.gz PGVRKHDINCVGKR-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700365724 1413889899 /nfs/dbraw/zinc/88/98/99/1413889899.db2.gz XROOLDYDLXVPIB-INIZCTEOSA-N 2 2 348.535 3.436 10 0 EGAELP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700365724 1413889904 /nfs/dbraw/zinc/88/99/04/1413889904.db2.gz XROOLDYDLXVPIB-INIZCTEOSA-N 2 2 348.535 3.436 10 0 EGAELP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001700439049 1414009652 /nfs/dbraw/zinc/00/96/52/1414009652.db2.gz NOIHFCUVPFHNQH-UHFFFAOYSA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001700463869 1414067046 /nfs/dbraw/zinc/06/70/46/1414067046.db2.gz MYHUTVLJOSJBRZ-PKOBYXMFSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001700463869 1414067052 /nfs/dbraw/zinc/06/70/52/1414067052.db2.gz MYHUTVLJOSJBRZ-PKOBYXMFSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001700620094 1414288398 /nfs/dbraw/zinc/28/83/98/1414288398.db2.gz UFSNWLZUYMBIRT-SFHVURJKSA-N 2 2 346.519 3.339 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001700620094 1414288402 /nfs/dbraw/zinc/28/84/02/1414288402.db2.gz UFSNWLZUYMBIRT-SFHVURJKSA-N 2 2 346.519 3.339 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001700754951 1414425007 /nfs/dbraw/zinc/42/50/07/1414425007.db2.gz DBORGOLFFRAPRU-NVXWUHKLSA-N 2 2 348.516 3.169 10 0 EGAELP CCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC1(C)C ZINC001700920891 1414573282 /nfs/dbraw/zinc/57/32/82/1414573282.db2.gz HCDZNDBFVYCNNK-SFHVURJKSA-N 2 2 347.503 3.040 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001732626719 1428889583 /nfs/dbraw/zinc/88/95/83/1428889583.db2.gz IXAUIRRLRYSYRF-RTBURBONSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732706558 1428918787 /nfs/dbraw/zinc/91/87/87/1428918787.db2.gz PGVNTMCCXTWCRJ-HUUCEWRRSA-N 2 2 330.476 3.343 10 0 EGAELP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732779605 1428965590 /nfs/dbraw/zinc/96/55/90/1428965590.db2.gz XIAVTDHQYJXZQX-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732779605 1428965594 /nfs/dbraw/zinc/96/55/94/1428965594.db2.gz XIAVTDHQYJXZQX-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001732958975 1429082825 /nfs/dbraw/zinc/08/28/25/1429082825.db2.gz NUPAVKGWLMRWEE-PBHICJAKSA-N 2 2 348.516 3.135 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001707195885 1417240036 /nfs/dbraw/zinc/24/00/36/1417240036.db2.gz QANJNGDMSLEXGY-XLMAVXFVSA-N 2 2 332.492 3.063 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001707195885 1417240038 /nfs/dbraw/zinc/24/00/38/1417240038.db2.gz QANJNGDMSLEXGY-XLMAVXFVSA-N 2 2 332.492 3.063 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001707195885 1417240039 /nfs/dbraw/zinc/24/00/39/1417240039.db2.gz QANJNGDMSLEXGY-XLMAVXFVSA-N 2 2 332.492 3.063 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001707195885 1417240042 /nfs/dbraw/zinc/24/00/42/1417240042.db2.gz QANJNGDMSLEXGY-XLMAVXFVSA-N 2 2 332.492 3.063 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001707245752 1417264240 /nfs/dbraw/zinc/26/42/40/1417264240.db2.gz MNLFBDQIZFNJKP-GOSISDBHSA-N 2 2 348.535 3.150 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707282895 1417294137 /nfs/dbraw/zinc/29/41/37/1417294137.db2.gz ZGYPWZCTWDOCNG-FUTAKVPZSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707282895 1417294140 /nfs/dbraw/zinc/29/41/40/1417294140.db2.gz ZGYPWZCTWDOCNG-FUTAKVPZSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001707282895 1417294141 /nfs/dbraw/zinc/29/41/41/1417294141.db2.gz ZGYPWZCTWDOCNG-FUTAKVPZSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001707282895 1417294143 /nfs/dbraw/zinc/29/41/43/1417294143.db2.gz ZGYPWZCTWDOCNG-FUTAKVPZSA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713083056 1417628647 /nfs/dbraw/zinc/62/86/47/1417628647.db2.gz OVDMKJXRNMCEAZ-XFHJGTJQSA-N 2 2 340.471 3.193 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713083056 1417628648 /nfs/dbraw/zinc/62/86/48/1417628648.db2.gz OVDMKJXRNMCEAZ-XFHJGTJQSA-N 2 2 340.471 3.193 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713242532 1417828858 /nfs/dbraw/zinc/82/88/58/1417828858.db2.gz QSAHEODATKTFDC-MRXNPFEDSA-N 2 2 334.508 3.096 10 0 EGAELP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713682092 1418433968 /nfs/dbraw/zinc/43/39/68/1418433968.db2.gz UWCDZXFRRWNMHN-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(C(C)C)cc1 ZINC001713698144 1418453638 /nfs/dbraw/zinc/45/36/38/1418453638.db2.gz LUSWBAGGXUEANQ-KURKYZTESA-N 2 2 340.471 3.104 10 0 EGAELP CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(C(C)C)cc1 ZINC001713698144 1418453639 /nfs/dbraw/zinc/45/36/39/1418453639.db2.gz LUSWBAGGXUEANQ-KURKYZTESA-N 2 2 340.471 3.104 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001713718766 1418487616 /nfs/dbraw/zinc/48/76/16/1418487616.db2.gz NRZFFWKONWRLOQ-KRWDZBQOSA-N 2 2 334.508 3.022 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001713718766 1418487617 /nfs/dbraw/zinc/48/76/17/1418487617.db2.gz NRZFFWKONWRLOQ-KRWDZBQOSA-N 2 2 334.508 3.022 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC(C[N@H+](C)CC(C)C)CC1)n1cc[nH+]c1 ZINC001713764949 1418577401 /nfs/dbraw/zinc/57/74/01/1418577401.db2.gz WJBMNONJDPDSFH-IBGZPJMESA-N 2 2 348.535 3.297 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1)n1cc[nH+]c1 ZINC001713764949 1418577402 /nfs/dbraw/zinc/57/74/02/1418577402.db2.gz WJBMNONJDPDSFH-IBGZPJMESA-N 2 2 348.535 3.297 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900210 1418700054 /nfs/dbraw/zinc/70/00/54/1418700054.db2.gz SDUMXYOURGUVRS-DKRLNXSXSA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900210 1418700056 /nfs/dbraw/zinc/70/00/56/1418700056.db2.gz SDUMXYOURGUVRS-DKRLNXSXSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714129779 1418933250 /nfs/dbraw/zinc/93/32/50/1418933250.db2.gz RPGVYAVTMPBHIC-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCCC1 ZINC001714253063 1419038067 /nfs/dbraw/zinc/03/80/67/1419038067.db2.gz IGTVDTWVQFGRBG-OAHLLOKOSA-N 2 2 328.460 3.013 10 0 EGAELP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001714495889 1419220080 /nfs/dbraw/zinc/22/00/80/1419220080.db2.gz LAJUVEUJFJIVHG-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC001714825717 1419535671 /nfs/dbraw/zinc/53/56/71/1419535671.db2.gz XOHOAFLXPJAOMQ-QZTJIDSGSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC001714825717 1419535676 /nfs/dbraw/zinc/53/56/76/1419535676.db2.gz XOHOAFLXPJAOMQ-QZTJIDSGSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC001714825717 1419535678 /nfs/dbraw/zinc/53/56/78/1419535678.db2.gz XOHOAFLXPJAOMQ-QZTJIDSGSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC001714825717 1419535682 /nfs/dbraw/zinc/53/56/82/1419535682.db2.gz XOHOAFLXPJAOMQ-QZTJIDSGSA-N 2 2 346.519 3.310 10 0 EGAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)cccc1C ZINC001715076382 1419811468 /nfs/dbraw/zinc/81/14/68/1419811468.db2.gz NWGYWYLFMCBYDV-ZWKOTPCHSA-N 2 2 342.487 3.136 10 0 EGAELP CC(C)=CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001715095395 1419836226 /nfs/dbraw/zinc/83/62/26/1419836226.db2.gz WTBVTYDSRUZBNH-UHFFFAOYSA-N 2 2 326.444 3.161 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715387786 1420084704 /nfs/dbraw/zinc/08/47/04/1420084704.db2.gz LYMJLBQKPMDOPJ-WMZOPIPTSA-N 2 2 342.487 3.211 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715401369 1420100179 /nfs/dbraw/zinc/10/01/79/1420100179.db2.gz MWCIOZPJZDNVFW-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001715439641 1420124830 /nfs/dbraw/zinc/12/48/30/1420124830.db2.gz YAUDVJLKVGYMPW-SJLPKXTDSA-N 2 2 347.503 3.040 10 0 EGAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001715985618 1420443988 /nfs/dbraw/zinc/44/39/88/1420443988.db2.gz JGZWFIBBRPKUHH-PKOBYXMFSA-N 2 2 342.487 3.073 10 0 EGAELP O=C(NCC=CC[NH2+]CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716311047 1420600366 /nfs/dbraw/zinc/60/03/66/1420600366.db2.gz VEBPDCIBENNTEX-SNAWJCMRSA-N 2 2 326.444 3.019 10 0 EGAELP Cc1ncsc1C[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001716556664 1420759685 /nfs/dbraw/zinc/75/96/85/1420759685.db2.gz MSXKMHBAPOEKAB-UHFFFAOYSA-N 2 2 346.500 3.024 10 0 EGAELP CC(C)CCC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001716689230 1420842189 /nfs/dbraw/zinc/84/21/89/1420842189.db2.gz YEXIBHYCFPVBFK-UHFFFAOYSA-N 2 2 340.471 3.161 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312501 1421257423 /nfs/dbraw/zinc/25/74/23/1421257423.db2.gz VKTITMPYLLJWLL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312501 1421257425 /nfs/dbraw/zinc/25/74/25/1421257425.db2.gz VKTITMPYLLJWLL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379085 1421323052 /nfs/dbraw/zinc/32/30/52/1421323052.db2.gz QBYAOEFDUIRZRM-ZWKOTPCHSA-N 2 2 346.519 3.011 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379085 1421323056 /nfs/dbraw/zinc/32/30/56/1421323056.db2.gz QBYAOEFDUIRZRM-ZWKOTPCHSA-N 2 2 346.519 3.011 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001733301363 1429486286 /nfs/dbraw/zinc/48/62/86/1429486286.db2.gz ZQGJMNBCAQZYAY-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001733301363 1429486290 /nfs/dbraw/zinc/48/62/90/1429486290.db2.gz ZQGJMNBCAQZYAY-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733301363 1429486291 /nfs/dbraw/zinc/48/62/91/1429486291.db2.gz ZQGJMNBCAQZYAY-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733301363 1429486293 /nfs/dbraw/zinc/48/62/93/1429486293.db2.gz ZQGJMNBCAQZYAY-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001717963422 1421734730 /nfs/dbraw/zinc/73/47/30/1421734730.db2.gz SFEXDGMEXPCFPQ-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001718003241 1421769982 /nfs/dbraw/zinc/76/99/82/1421769982.db2.gz GPUBSFCAZQEYMA-IAGOWNOFSA-N 2 2 344.503 3.064 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001718003241 1421769984 /nfs/dbraw/zinc/76/99/84/1421769984.db2.gz GPUBSFCAZQEYMA-IAGOWNOFSA-N 2 2 344.503 3.064 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733429962 1429637400 /nfs/dbraw/zinc/63/74/00/1429637400.db2.gz RCUYGIVRERJHFP-VLIAUNLRSA-N 2 2 331.504 3.495 10 0 EGAELP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733432411 1429639887 /nfs/dbraw/zinc/63/98/87/1429639887.db2.gz PSNKOYYPUIYFAV-LJQANCHMSA-N 2 2 328.460 3.195 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733432812 1429640165 /nfs/dbraw/zinc/64/01/65/1429640165.db2.gz TXIQJWLBYDWHKX-QUCCMNQESA-N 2 2 348.535 3.345 10 0 EGAELP CCC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733448527 1429658994 /nfs/dbraw/zinc/65/89/94/1429658994.db2.gz HYFOUQOANMZGDZ-QGZVFWFLSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)n1cc[nH+]c1 ZINC001733462565 1429690198 /nfs/dbraw/zinc/69/01/98/1429690198.db2.gz XXWBPEZYBMCUKA-AZUAARDMSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)n1cc[nH+]c1 ZINC001733462565 1429690200 /nfs/dbraw/zinc/69/02/00/1429690200.db2.gz XXWBPEZYBMCUKA-AZUAARDMSA-N 2 2 346.519 3.099 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001722955174 1424276802 /nfs/dbraw/zinc/27/68/02/1424276802.db2.gz FTJSGRACMFKZIT-RTBURBONSA-N 2 2 344.503 3.038 10 0 EGAELP CC[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCCC(C)C ZINC001723371764 1424374788 /nfs/dbraw/zinc/37/47/88/1424374788.db2.gz NYOZLLCRUKHYJF-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001723699363 1424537483 /nfs/dbraw/zinc/53/74/83/1424537483.db2.gz KKTIXOPHGPRBMM-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001723699363 1424537487 /nfs/dbraw/zinc/53/74/87/1424537487.db2.gz KKTIXOPHGPRBMM-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001723855407 1424586192 /nfs/dbraw/zinc/58/61/92/1424586192.db2.gz GGFLSRYEUIWYIQ-GOEBONIOSA-N 2 2 326.444 3.112 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001724005125 1424624782 /nfs/dbraw/zinc/62/47/82/1424624782.db2.gz MZAYDZGLZBVPIM-UHFFFAOYSA-N 2 2 347.503 3.184 10 0 EGAELP CC1(C)CCC(C[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001724026329 1424633916 /nfs/dbraw/zinc/63/39/16/1424633916.db2.gz PZBUMYSVJHCZBX-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP O=C(N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001724089808 1424656940 /nfs/dbraw/zinc/65/69/40/1424656940.db2.gz SQUHDTDSZDGJGQ-KNYPUDEUSA-N 2 2 346.862 3.194 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724301059 1424785074 /nfs/dbraw/zinc/78/50/74/1424785074.db2.gz OVFLCCVUIDYRCU-OOFWQKGWSA-N 2 2 346.519 3.409 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725094608 1425538518 /nfs/dbraw/zinc/53/85/18/1425538518.db2.gz LSAIMJQXMAFHAQ-YOVCOIKASA-N 2 2 328.460 3.406 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001725359547 1426009560 /nfs/dbraw/zinc/00/95/60/1426009560.db2.gz SFFUWSOWOWLUCF-KOMQPUFPSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC001725414848 1426060223 /nfs/dbraw/zinc/06/02/23/1426060223.db2.gz RBFSFAMTTMHCTR-UONOGXRCSA-N 2 2 346.450 3.035 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001725622859 1426288299 /nfs/dbraw/zinc/28/82/99/1426288299.db2.gz IEGPZITVKFRJCK-IBQUMJASSA-N 2 2 346.519 3.157 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001725657778 1426340466 /nfs/dbraw/zinc/34/04/66/1426340466.db2.gz BDAQGWBJHJXEKF-FUTAKVPZSA-N 2 2 340.471 3.131 10 0 EGAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001725681589 1426369883 /nfs/dbraw/zinc/36/98/83/1426369883.db2.gz LASYXYWVKFJOKA-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001725734257 1426407855 /nfs/dbraw/zinc/40/78/55/1426407855.db2.gz YUYNALFMFQRTQT-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001725734257 1426407857 /nfs/dbraw/zinc/40/78/57/1426407857.db2.gz YUYNALFMFQRTQT-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001725797547 1426482618 /nfs/dbraw/zinc/48/26/18/1426482618.db2.gz OHKOHTRNBSSWRJ-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731429323 1427411214 /nfs/dbraw/zinc/41/12/14/1427411214.db2.gz KBINKKGVDXUZPJ-ZACQAIPSSA-N 2 2 346.519 3.045 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731429323 1427411216 /nfs/dbraw/zinc/41/12/16/1427411216.db2.gz KBINKKGVDXUZPJ-ZACQAIPSSA-N 2 2 346.519 3.045 10 0 EGAELP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731717071 1427781486 /nfs/dbraw/zinc/78/14/86/1427781486.db2.gz SKTFLBRPXCDPDL-SFHVURJKSA-N 2 2 342.487 3.369 10 0 EGAELP CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731717071 1427781487 /nfs/dbraw/zinc/78/14/87/1427781487.db2.gz SKTFLBRPXCDPDL-SFHVURJKSA-N 2 2 342.487 3.369 10 0 EGAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1cc(C)ccc1C ZINC001731804178 1427972766 /nfs/dbraw/zinc/97/27/66/1427972766.db2.gz FNZNHJCJKRUUCG-QGZVFWFLSA-N 2 2 342.487 3.158 10 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O=C(NCC[N@H+](CC1CCCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731876800 1428140938 /nfs/dbraw/zinc/14/09/38/1428140938.db2.gz SGSJCKSPMGTRGP-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCC[N@@H+](CC1CCCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731876800 1428140948 /nfs/dbraw/zinc/14/09/48/1428140948.db2.gz SGSJCKSPMGTRGP-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](CCC(C)(C)C)C3CC3)ccn12 ZINC001731877306 1428142050 /nfs/dbraw/zinc/14/20/50/1428142050.db2.gz QTYWGCFVSPJAIB-UHFFFAOYSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](CCC(C)(C)C)C3CC3)ccn12 ZINC001731877306 1428142053 /nfs/dbraw/zinc/14/20/53/1428142053.db2.gz QTYWGCFVSPJAIB-UHFFFAOYSA-N 2 2 342.487 3.273 10 0 EGAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001734018073 1437807748 /nfs/dbraw/zinc/80/77/48/1437807748.db2.gz DOJILCRLGJIIFG-MRXNPFEDSA-N 2 2 337.483 3.443 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001734104670 1437890803 /nfs/dbraw/zinc/89/08/03/1437890803.db2.gz XDDNDNQUCAUNAY-LJQANCHMSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001734104670 1437890804 /nfs/dbraw/zinc/89/08/04/1437890804.db2.gz XDDNDNQUCAUNAY-LJQANCHMSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001734104670 1437890805 /nfs/dbraw/zinc/89/08/05/1437890805.db2.gz XDDNDNQUCAUNAY-LJQANCHMSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001734104670 1437890806 /nfs/dbraw/zinc/89/08/06/1437890806.db2.gz XDDNDNQUCAUNAY-LJQANCHMSA-N 2 2 344.503 3.204 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001734446613 1438107629 /nfs/dbraw/zinc/10/76/29/1438107629.db2.gz QEFWPBXIRJWEEF-QGPMSJSTSA-N 2 2 340.471 3.193 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734562600 1438159618 /nfs/dbraw/zinc/15/96/18/1438159618.db2.gz VQHUCFNWTKWNRD-YOEHRIQHSA-N 2 2 344.503 3.423 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001734565508 1438161511 /nfs/dbraw/zinc/16/15/11/1438161511.db2.gz YNKZRQNIWWMMGL-FUHWJXTLSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571625 1438165514 /nfs/dbraw/zinc/16/55/14/1438165514.db2.gz VSSQMOQYWGRYKC-QAPCUYQASA-N 2 2 346.519 3.209 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571625 1438165515 /nfs/dbraw/zinc/16/55/15/1438165515.db2.gz VSSQMOQYWGRYKC-QAPCUYQASA-N 2 2 346.519 3.209 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001734573446 1438167030 /nfs/dbraw/zinc/16/70/30/1438167030.db2.gz IPWAFAJYEWCVOG-MRXNPFEDSA-N 2 2 334.508 3.043 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000022923948 202095245 /nfs/dbraw/zinc/09/52/45/202095245.db2.gz PSFCULPJDVAHSZ-RTBURBONSA-N 2 2 348.531 3.106 10 0 EGAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000022923948 202095247 /nfs/dbraw/zinc/09/52/47/202095247.db2.gz PSFCULPJDVAHSZ-RTBURBONSA-N 2 2 348.531 3.106 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255959 240080260 /nfs/dbraw/zinc/08/02/60/240080260.db2.gz RABHGIFARLOELT-LJQANCHMSA-N 2 2 325.456 3.224 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255959 240080266 /nfs/dbraw/zinc/08/02/66/240080266.db2.gz RABHGIFARLOELT-LJQANCHMSA-N 2 2 325.456 3.224 10 0 EGAELP CC[C@@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042577853 204109811 /nfs/dbraw/zinc/10/98/11/204109811.db2.gz KLPWBJLBLHGKHM-DOMZBBRYSA-N 2 2 329.282 3.196 10 0 EGAELP CC[C@@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042577853 204109813 /nfs/dbraw/zinc/10/98/13/204109813.db2.gz KLPWBJLBLHGKHM-DOMZBBRYSA-N 2 2 329.282 3.196 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000106216455 204186914 /nfs/dbraw/zinc/18/69/14/204186914.db2.gz FOZBJFFTCPTSTC-INIZCTEOSA-N 2 2 346.862 3.375 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000106216455 204186918 /nfs/dbraw/zinc/18/69/18/204186918.db2.gz FOZBJFFTCPTSTC-INIZCTEOSA-N 2 2 346.862 3.375 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156465930 206080083 /nfs/dbraw/zinc/08/00/83/206080083.db2.gz PUVPWUPXFSQYLU-DFEOGRTESA-N 2 2 340.471 3.032 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156465930 206080088 /nfs/dbraw/zinc/08/00/88/206080088.db2.gz PUVPWUPXFSQYLU-DFEOGRTESA-N 2 2 340.471 3.032 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157526249 206139841 /nfs/dbraw/zinc/13/98/41/206139841.db2.gz KVQUITDWGJTPSF-NSHGMRRFSA-N 2 2 343.515 3.203 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157526249 206139847 /nfs/dbraw/zinc/13/98/47/206139847.db2.gz KVQUITDWGJTPSF-NSHGMRRFSA-N 2 2 343.515 3.203 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cnc2n1 ZINC000377405206 169020980 /nfs/dbraw/zinc/02/09/80/169020980.db2.gz UOLVCRIDCZWKPY-FXAWDEMLSA-N 2 2 349.482 3.099 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000177059990 207290308 /nfs/dbraw/zinc/29/03/08/207290308.db2.gz DBFHRLFFMSUURH-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000177059990 207290313 /nfs/dbraw/zinc/29/03/13/207290313.db2.gz DBFHRLFFMSUURH-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000177059990 207290316 /nfs/dbraw/zinc/29/03/16/207290316.db2.gz DBFHRLFFMSUURH-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000177059990 207290319 /nfs/dbraw/zinc/29/03/19/207290319.db2.gz DBFHRLFFMSUURH-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289129 207317214 /nfs/dbraw/zinc/31/72/14/207317214.db2.gz HGXGRUGMBCQBTL-ROUUACIJSA-N 2 2 340.471 3.437 10 0 EGAELP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289129 207317220 /nfs/dbraw/zinc/31/72/20/207317220.db2.gz HGXGRUGMBCQBTL-ROUUACIJSA-N 2 2 340.471 3.437 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852441 252299876 /nfs/dbraw/zinc/29/98/76/252299876.db2.gz QDUWMXZETSJXSZ-IRNNPGBSSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852441 252299880 /nfs/dbraw/zinc/29/98/80/252299880.db2.gz QDUWMXZETSJXSZ-IRNNPGBSSA-N 2 2 336.479 3.145 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000246769047 141032812 /nfs/dbraw/zinc/03/28/12/141032812.db2.gz RDOKURGXQNPMOB-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000246769047 141032813 /nfs/dbraw/zinc/03/28/13/141032813.db2.gz RDOKURGXQNPMOB-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000344524870 141168551 /nfs/dbraw/zinc/16/85/51/141168551.db2.gz HKPPNZMBNCLPFF-CZUORRHYSA-N 2 2 348.468 3.300 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000344524870 141168554 /nfs/dbraw/zinc/16/85/54/141168554.db2.gz HKPPNZMBNCLPFF-CZUORRHYSA-N 2 2 348.468 3.300 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(CCC(C)C)no3)C2)[nH+]1 ZINC000171648527 144008733 /nfs/dbraw/zinc/00/87/33/144008733.db2.gz RJIDYLZMNXSXFB-INIZCTEOSA-N 2 2 343.475 3.296 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(CCC(C)C)no3)C2)[nH+]1 ZINC000171648527 144008735 /nfs/dbraw/zinc/00/87/35/144008735.db2.gz RJIDYLZMNXSXFB-INIZCTEOSA-N 2 2 343.475 3.296 10 0 EGAELP CC[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000172754620 144027193 /nfs/dbraw/zinc/02/71/93/144027193.db2.gz QWCLOTDBKGJQEE-GOSISDBHSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000183704676 144077645 /nfs/dbraw/zinc/07/76/45/144077645.db2.gz VLNUIDLFDBTSGL-HNNXBMFYSA-N 2 2 329.444 3.141 10 0 EGAELP Cc1cccc2c1[nH+]cc(C)c2N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185373491 144111963 /nfs/dbraw/zinc/11/19/63/144111963.db2.gz GKHBUXWXQGNRJF-UHFFFAOYSA-N 2 2 333.439 3.277 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]3c3ccco3)c2cc1C ZINC000116287633 152055404 /nfs/dbraw/zinc/05/54/04/152055404.db2.gz OTMMWRKKZYDWNB-SJLPKXTDSA-N 2 2 339.439 3.444 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]3c3ccco3)c2cc1C ZINC000116287633 152055410 /nfs/dbraw/zinc/05/54/10/152055410.db2.gz OTMMWRKKZYDWNB-SJLPKXTDSA-N 2 2 339.439 3.444 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000189721139 153093107 /nfs/dbraw/zinc/09/31/07/153093107.db2.gz MHKBNIOQAQXKSM-INIZCTEOSA-N 2 2 339.886 3.081 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000305771642 154116570 /nfs/dbraw/zinc/11/65/70/154116570.db2.gz RHKRXTKXMARGLB-QCFAMHMHSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000305771642 154116576 /nfs/dbraw/zinc/11/65/76/154116576.db2.gz RHKRXTKXMARGLB-QCFAMHMHSA-N 2 2 345.531 3.213 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504053 154386989 /nfs/dbraw/zinc/38/69/89/154386989.db2.gz XUARNFBTCUBYSL-IAGOWNOFSA-N 2 2 346.519 3.094 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504053 154386991 /nfs/dbraw/zinc/38/69/91/154386991.db2.gz XUARNFBTCUBYSL-IAGOWNOFSA-N 2 2 346.519 3.094 10 0 EGAELP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000348882967 156273896 /nfs/dbraw/zinc/27/38/96/156273896.db2.gz BARSWVUPEIYVTP-UHFFFAOYSA-N 2 2 346.434 3.464 10 0 EGAELP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000348882967 156273898 /nfs/dbraw/zinc/27/38/98/156273898.db2.gz BARSWVUPEIYVTP-UHFFFAOYSA-N 2 2 346.434 3.464 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000372404237 157319627 /nfs/dbraw/zinc/31/96/27/157319627.db2.gz KLFMMMMWELTHNT-AWEZNQCLSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000372404237 157319633 /nfs/dbraw/zinc/31/96/33/157319633.db2.gz KLFMMMMWELTHNT-AWEZNQCLSA-N 2 2 346.519 3.017 10 0 EGAELP CC[NH+](CC)CCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000372809905 157389135 /nfs/dbraw/zinc/38/91/35/157389135.db2.gz KVCXRBKHMYNEES-UHFFFAOYSA-N 2 2 332.414 3.340 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639820 162019289 /nfs/dbraw/zinc/01/92/89/162019289.db2.gz JWVMMAMBNFRWJO-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639820 162019295 /nfs/dbraw/zinc/01/92/95/162019295.db2.gz JWVMMAMBNFRWJO-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639820 162019299 /nfs/dbraw/zinc/01/92/99/162019299.db2.gz JWVMMAMBNFRWJO-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639820 162019300 /nfs/dbraw/zinc/01/93/00/162019300.db2.gz JWVMMAMBNFRWJO-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559468 163014052 /nfs/dbraw/zinc/01/40/52/163014052.db2.gz MCKCUTLFNXSTBL-IFXJQAMLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559468 163014053 /nfs/dbraw/zinc/01/40/53/163014053.db2.gz MCKCUTLFNXSTBL-IFXJQAMLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559468 163014055 /nfs/dbraw/zinc/01/40/55/163014055.db2.gz MCKCUTLFNXSTBL-IFXJQAMLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559468 163014057 /nfs/dbraw/zinc/01/40/57/163014057.db2.gz MCKCUTLFNXSTBL-IFXJQAMLSA-N 2 2 348.437 3.486 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000248607010 163020399 /nfs/dbraw/zinc/02/03/99/163020399.db2.gz DAJPNXSQHSOIDI-GDBMZVCRSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000248607010 163020402 /nfs/dbraw/zinc/02/04/02/163020402.db2.gz DAJPNXSQHSOIDI-GDBMZVCRSA-N 2 2 339.468 3.485 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827682 163036315 /nfs/dbraw/zinc/03/63/15/163036315.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 3 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827682 163036317 /nfs/dbraw/zinc/03/63/17/163036317.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827682 163036319 /nfs/dbraw/zinc/03/63/19/163036319.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000248827682 163036321 /nfs/dbraw/zinc/03/63/21/163036321.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 3 2 326.488 3.343 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000248881837 163041474 /nfs/dbraw/zinc/04/14/74/163041474.db2.gz POZBQHQOJAVGPQ-WFASDCNBSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000248881837 163041477 /nfs/dbraw/zinc/04/14/77/163041477.db2.gz POZBQHQOJAVGPQ-WFASDCNBSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000248881837 163041479 /nfs/dbraw/zinc/04/14/79/163041479.db2.gz POZBQHQOJAVGPQ-WFASDCNBSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000248881837 163041481 /nfs/dbraw/zinc/04/14/81/163041481.db2.gz POZBQHQOJAVGPQ-WFASDCNBSA-N 2 2 339.277 3.491 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949213 163046691 /nfs/dbraw/zinc/04/66/91/163046691.db2.gz AXPSSWLTARSOQC-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949213 163046692 /nfs/dbraw/zinc/04/66/92/163046692.db2.gz AXPSSWLTARSOQC-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949213 163046693 /nfs/dbraw/zinc/04/66/93/163046693.db2.gz AXPSSWLTARSOQC-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949213 163046694 /nfs/dbraw/zinc/04/66/94/163046694.db2.gz AXPSSWLTARSOQC-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCOC1 ZINC000355285738 166154814 /nfs/dbraw/zinc/15/48/14/166154814.db2.gz DZVRZJFVQXUJRM-SQHUISNBSA-N 2 2 334.426 3.196 10 0 EGAELP Cc1nc(N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000355377346 166180218 /nfs/dbraw/zinc/18/02/18/166180218.db2.gz YZLFJZQVVUPZAG-IHWYPQMZSA-N 2 2 328.847 3.274 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000355656229 166274852 /nfs/dbraw/zinc/27/48/52/166274852.db2.gz UVTQWOKAPUIXOD-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CCc2ccccc2)nc[nH+]1 ZINC000174284748 265039914 /nfs/dbraw/zinc/03/99/14/265039914.db2.gz SVODJPPNEYHDLK-AEFFLSMTSA-N 2 2 339.487 3.098 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189079761 275219687 /nfs/dbraw/zinc/21/96/87/275219687.db2.gz CHIXELHRGGQSNC-QGZVFWFLSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189079761 275219690 /nfs/dbraw/zinc/21/96/90/275219690.db2.gz CHIXELHRGGQSNC-QGZVFWFLSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000155401182 307813711 /nfs/dbraw/zinc/81/37/11/307813711.db2.gz XUUMQBWDRMAKNZ-HOTGVXAUSA-N 2 2 339.439 3.347 10 0 EGAELP Cc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1C(F)(F)F ZINC000414389253 309077271 /nfs/dbraw/zinc/07/72/71/309077271.db2.gz PTQAULJIOXODKC-UHFFFAOYSA-N 2 2 344.421 3.292 10 0 EGAELP Cc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1C(F)(F)F ZINC000414389253 309077272 /nfs/dbraw/zinc/07/72/72/309077272.db2.gz PTQAULJIOXODKC-UHFFFAOYSA-N 2 2 344.421 3.292 10 0 EGAELP CCc1noc(C)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000293047065 308093849 /nfs/dbraw/zinc/09/38/49/308093849.db2.gz SUIRSXNUHKQZCB-UHFFFAOYSA-N 2 2 345.462 3.481 10 0 EGAELP [NH3+]C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCCC1 ZINC000414857528 309105935 /nfs/dbraw/zinc/10/59/35/309105935.db2.gz DRSDGGFCDZTIEK-UHFFFAOYSA-N 3 2 329.532 3.335 10 0 EGAELP Cn1c2ccc(C[NH2+]CC[NH2+]C3CCCCCC3)cc2sc1=O ZINC000414815459 309103402 /nfs/dbraw/zinc/10/34/02/309103402.db2.gz TZJDWOHRGXSAFN-UHFFFAOYSA-N 2 2 333.501 3.002 10 0 EGAELP Cc1nn2c(C[NH2+]C[C@@H]([NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000414833748 309104462 /nfs/dbraw/zinc/10/44/62/309104462.db2.gz PZWQWXLHJLAITG-CQSZACIVSA-N 2 2 329.473 3.012 10 0 EGAELP Cc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000414882971 309107226 /nfs/dbraw/zinc/10/72/26/309107226.db2.gz SSDUSZXQNIBZKO-UHFFFAOYSA-N 2 2 348.288 3.422 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCc3sccc32)nc[nH+]1 ZINC000329105016 308777883 /nfs/dbraw/zinc/77/78/83/308777883.db2.gz CWWOCINZJSEPFJ-UKRRQHHQSA-N 2 2 343.500 3.216 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414870748 309106516 /nfs/dbraw/zinc/10/65/16/309106516.db2.gz CSDZBUKDAOOXHV-UHFFFAOYSA-N 2 2 349.482 3.154 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034180 309115649 /nfs/dbraw/zinc/11/56/49/309115649.db2.gz CHPAFOZWBVDPGN-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034180 309115650 /nfs/dbraw/zinc/11/56/50/309115650.db2.gz CHPAFOZWBVDPGN-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP CC[N@@H+]1CC[C@H](NCC[NH2+]C(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108859 309120946 /nfs/dbraw/zinc/12/09/46/309120946.db2.gz PHSBTRSJHXSTGK-DOTOQJQBSA-N 2 2 343.437 3.217 10 0 EGAELP CC[N@H+]1CC[C@H](NCC[NH2+]C(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108859 309120947 /nfs/dbraw/zinc/12/09/47/309120947.db2.gz PHSBTRSJHXSTGK-DOTOQJQBSA-N 2 2 343.437 3.217 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415111588 309121010 /nfs/dbraw/zinc/12/10/10/309121010.db2.gz RGHBYRORLXEUFG-PZJWPPBQSA-N 3 2 341.474 3.470 10 0 EGAELP CCn1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(Br)c1 ZINC000418014167 309231727 /nfs/dbraw/zinc/23/17/27/309231727.db2.gz OAFOEEMGWFWCRG-UHFFFAOYSA-N 2 2 337.265 3.339 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)C2 ZINC000419900682 309273099 /nfs/dbraw/zinc/27/30/99/309273099.db2.gz REYJCRODKJBCNF-OAHLLOKOSA-N 2 2 346.519 3.067 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)CC2 ZINC000419900682 309273100 /nfs/dbraw/zinc/27/31/00/309273100.db2.gz REYJCRODKJBCNF-OAHLLOKOSA-N 2 2 346.519 3.067 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358971 309284000 /nfs/dbraw/zinc/28/40/00/309284000.db2.gz FKXVFIIKVCWSBS-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358971 309284001 /nfs/dbraw/zinc/28/40/01/309284001.db2.gz FKXVFIIKVCWSBS-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898528 309299681 /nfs/dbraw/zinc/29/96/81/309299681.db2.gz FKMJSNDWUUVJBG-UHFFFAOYSA-N 2 2 328.431 3.290 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898528 309299682 /nfs/dbraw/zinc/29/96/82/309299682.db2.gz FKMJSNDWUUVJBG-UHFFFAOYSA-N 2 2 328.431 3.290 10 0 EGAELP C[N@H+](CCc1ccc(F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901886 309299947 /nfs/dbraw/zinc/29/99/47/309299947.db2.gz LHVBEMCMJIRUDF-UHFFFAOYSA-N 2 2 342.458 3.332 10 0 EGAELP C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901886 309299948 /nfs/dbraw/zinc/29/99/48/309299948.db2.gz LHVBEMCMJIRUDF-UHFFFAOYSA-N 2 2 342.458 3.332 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420942632 309303023 /nfs/dbraw/zinc/30/30/23/309303023.db2.gz OYKMPUWNUCWZDD-WMZOPIPTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420942632 309303024 /nfs/dbraw/zinc/30/30/24/309303024.db2.gz OYKMPUWNUCWZDD-WMZOPIPTSA-N 2 2 329.488 3.465 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000422687241 309363405 /nfs/dbraw/zinc/36/34/05/309363405.db2.gz BCYGWCZRONCXJA-RDJZCZTQSA-N 2 2 341.455 3.360 10 0 EGAELP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000422699059 309363479 /nfs/dbraw/zinc/36/34/79/309363479.db2.gz CIHSOCSFPCSADJ-BRWVUGGUSA-N 3 2 326.488 3.396 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780529 309367902 /nfs/dbraw/zinc/36/79/02/309367902.db2.gz HQZFKDDCTMZHKD-PMACEKPBSA-N 2 2 328.431 3.460 10 0 EGAELP CCC(CC)(CCO)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422815166 309369923 /nfs/dbraw/zinc/36/99/23/309369923.db2.gz XCXBNGGNVCYDRY-RTBURBONSA-N 2 2 334.504 3.267 10 0 EGAELP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422875249 309373199 /nfs/dbraw/zinc/37/31/99/309373199.db2.gz ORGJZWVOEXBCGU-CWFSZBLJSA-N 2 2 332.488 3.029 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2sc(C)nc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422888351 309374309 /nfs/dbraw/zinc/37/43/09/309374309.db2.gz MWWGFDKCRSBSCS-IEBWSBKVSA-N 2 2 345.512 3.394 10 0 EGAELP CCc1nc(CC[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cs1 ZINC000422905731 309375620 /nfs/dbraw/zinc/37/56/20/309375620.db2.gz SOKWAZQJJLKUGA-PKOBYXMFSA-N 2 2 345.512 3.340 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422941530 309377325 /nfs/dbraw/zinc/37/73/25/309377325.db2.gz OVRBFDCJBKMONW-VQTJNVASSA-N 2 2 344.430 3.296 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053037 309383239 /nfs/dbraw/zinc/38/32/39/309383239.db2.gz RVIQYAJGQNLOSF-ANULTFPQSA-N 2 2 344.499 3.283 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423063526 309383890 /nfs/dbraw/zinc/38/38/90/309383890.db2.gz OXWPVRXRYUISLF-UONOGXRCSA-N 2 2 327.266 3.207 10 0 EGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423122294 309387122 /nfs/dbraw/zinc/38/71/22/309387122.db2.gz CBKFVKZKQQRTNA-XEZPLFJOSA-N 2 2 326.893 3.136 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000423132526 309387587 /nfs/dbraw/zinc/38/75/87/309387587.db2.gz PLTQYGAWGUCASZ-BZPMIXESSA-N 2 2 341.297 3.201 10 0 EGAELP CCn1cc[nH+]c1[C@H](C)N[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423146363 309388352 /nfs/dbraw/zinc/38/83/52/309388352.db2.gz AIRMDFFFUGKCQU-JCGIZDLHSA-N 2 2 328.460 3.056 10 0 EGAELP COC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000423180280 309389261 /nfs/dbraw/zinc/38/92/61/309389261.db2.gz APPXZJUFZNYMIR-SFHVURJKSA-N 2 2 333.863 3.192 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@@H](c2ccccc2)C1 ZINC000423188052 309389708 /nfs/dbraw/zinc/38/97/08/309389708.db2.gz QBSHHLMUKZTVNX-NVYAHWSDSA-N 2 2 328.500 3.315 10 0 EGAELP COc1cc(C)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1C ZINC000423223788 309391142 /nfs/dbraw/zinc/39/11/42/309391142.db2.gz AOVOGDKIZDGVIN-INIZCTEOSA-N 2 2 340.471 3.290 10 0 EGAELP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000423291439 309394046 /nfs/dbraw/zinc/39/40/46/309394046.db2.gz IHPNURHJDUVMMD-VLIAUNLRSA-N 2 2 338.430 3.458 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168268 310041964 /nfs/dbraw/zinc/04/19/64/310041964.db2.gz CZGZYQHDBAEPAH-DBXWQHBBSA-N 3 2 329.532 3.154 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000449168268 310041965 /nfs/dbraw/zinc/04/19/65/310041965.db2.gz CZGZYQHDBAEPAH-DBXWQHBBSA-N 3 2 329.532 3.154 10 0 EGAELP Cc1cccc(Cl)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450621375 310133430 /nfs/dbraw/zinc/13/34/30/310133430.db2.gz IJDXVVCDATXZLG-JWTNVVGKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cccc(Cl)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450621375 310133431 /nfs/dbraw/zinc/13/34/31/310133431.db2.gz IJDXVVCDATXZLG-JWTNVVGKSA-N 2 2 347.934 3.391 10 0 EGAELP CCOc1cc2[nH+]ccc(NCc3[nH+]ccn3CC)c2cc1OCC ZINC000450684750 310137095 /nfs/dbraw/zinc/13/70/95/310137095.db2.gz RYPZFEWEVTWELI-UHFFFAOYSA-N 2 2 340.427 3.283 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCn4cc[nH+]c43)c2)C[C@@H](C)O1 ZINC000453181568 310262756 /nfs/dbraw/zinc/26/27/56/310262756.db2.gz ZEAOWBQITXCIQI-IIDMSEBBSA-N 2 2 326.444 3.049 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc12 ZINC000453253670 310266754 /nfs/dbraw/zinc/26/67/54/310266754.db2.gz CWHRLECPAVFSRV-DLBZAZTESA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc12 ZINC000453253670 310266755 /nfs/dbraw/zinc/26/67/55/310266755.db2.gz CWHRLECPAVFSRV-DLBZAZTESA-N 2 2 342.483 3.346 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000453311686 310270460 /nfs/dbraw/zinc/27/04/60/310270460.db2.gz BBPVHAGPOUKXJR-YHELAOLJSA-N 2 2 345.531 3.333 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000453311686 310270461 /nfs/dbraw/zinc/27/04/61/310270461.db2.gz BBPVHAGPOUKXJR-YHELAOLJSA-N 2 2 345.531 3.333 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060388 311162702 /nfs/dbraw/zinc/16/27/02/311162702.db2.gz WVLCIWRSYWEAKQ-PMACEKPBSA-N 2 2 349.563 3.366 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060388 311162703 /nfs/dbraw/zinc/16/27/03/311162703.db2.gz WVLCIWRSYWEAKQ-PMACEKPBSA-N 2 2 349.563 3.366 10 0 EGAELP C[NH+](C)CCOc1ccc(CCNc2ccc3ccccc3[nH+]2)cc1 ZINC000511378525 312158952 /nfs/dbraw/zinc/15/89/52/312158952.db2.gz NGOQIRWUMQLLQG-UHFFFAOYSA-N 2 2 335.451 3.252 10 0 EGAELP [NH3+]CC12CCC(CC1)CN2C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000514943946 312255389 /nfs/dbraw/zinc/25/53/89/312255389.db2.gz DRBSFGKHTNMXDQ-UHFFFAOYSA-N 2 2 337.423 3.217 10 0 EGAELP c1ccc2c(c1)[nH+]ccc2N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000518383957 312414629 /nfs/dbraw/zinc/41/46/29/312414629.db2.gz WYNQSVJYNIGPOI-UHFFFAOYSA-N 2 2 331.423 3.229 10 0 EGAELP COc1ccc(Br)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000087790420 454089335 /nfs/dbraw/zinc/08/93/35/454089335.db2.gz CUBOMRXMJFEWGI-PBWFPOADSA-N 2 2 339.277 3.173 10 0 EGAELP COc1ccc(Br)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000087790420 454089337 /nfs/dbraw/zinc/08/93/37/454089337.db2.gz CUBOMRXMJFEWGI-PBWFPOADSA-N 2 2 339.277 3.173 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417974 313088412 /nfs/dbraw/zinc/08/84/12/313088412.db2.gz VQOOEPXFSKADMH-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417974 313088416 /nfs/dbraw/zinc/08/84/16/313088416.db2.gz VQOOEPXFSKADMH-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417974 313088419 /nfs/dbraw/zinc/08/84/19/313088419.db2.gz VQOOEPXFSKADMH-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417974 313088423 /nfs/dbraw/zinc/08/84/23/313088423.db2.gz VQOOEPXFSKADMH-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536418 313347931 /nfs/dbraw/zinc/34/79/31/313347931.db2.gz KOVKKKBUTQFXEY-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536418 313347934 /nfs/dbraw/zinc/34/79/34/313347934.db2.gz KOVKKKBUTQFXEY-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1OC ZINC000529536418 313347936 /nfs/dbraw/zinc/34/79/36/313347936.db2.gz KOVKKKBUTQFXEY-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1OC ZINC000529536418 313347940 /nfs/dbraw/zinc/34/79/40/313347940.db2.gz KOVKKKBUTQFXEY-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP COc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)O[C@H](C)C2 ZINC000535821756 314077738 /nfs/dbraw/zinc/07/77/38/314077738.db2.gz FTOHNKOIDNEGTQ-CYBMUJFWSA-N 2 2 327.428 3.121 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000539066094 314293946 /nfs/dbraw/zinc/29/39/46/314293946.db2.gz XBLYXEUJTNPBIY-BJJXKVORSA-N 2 2 325.294 3.310 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000539066094 314293949 /nfs/dbraw/zinc/29/39/49/314293949.db2.gz XBLYXEUJTNPBIY-BJJXKVORSA-N 2 2 325.294 3.310 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000554051462 315295273 /nfs/dbraw/zinc/29/52/73/315295273.db2.gz YCLZLXLZPGNKCG-MOPGFXCFSA-N 2 2 346.515 3.312 10 0 EGAELP C[C@H]1C[N@H+](Cc2cccc(CNc3ccc4ccccc4[nH+]3)c2)CCO1 ZINC000555123560 315367567 /nfs/dbraw/zinc/36/75/67/315367567.db2.gz MPXWNFWNBCKUAG-KRWDZBQOSA-N 2 2 347.462 3.490 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc4ccccc4[nH+]3)c2)CCO1 ZINC000555123560 315367570 /nfs/dbraw/zinc/36/75/70/315367570.db2.gz MPXWNFWNBCKUAG-KRWDZBQOSA-N 2 2 347.462 3.490 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)n1C ZINC000565237161 316297100 /nfs/dbraw/zinc/29/71/00/316297100.db2.gz FSQCFAZGWGFVDS-RTBURBONSA-N 2 2 348.441 3.320 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351252 /nfs/dbraw/zinc/35/12/52/317351252.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351255 /nfs/dbraw/zinc/35/12/55/317351255.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351257 /nfs/dbraw/zinc/35/12/57/317351257.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351260 /nfs/dbraw/zinc/35/12/60/317351260.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 3 2 339.527 3.258 10 0 EGAELP CC1=C[C@H](C)C[C@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000579411783 325104783 /nfs/dbraw/zinc/10/47/83/325104783.db2.gz AEXPYVVUULMMFX-WMZOPIPTSA-N 2 2 342.531 3.438 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580752176 325291572 /nfs/dbraw/zinc/29/15/72/325291572.db2.gz BSXMFNRUBXCPJR-MRXNPFEDSA-N 2 2 338.436 3.253 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580752176 325291576 /nfs/dbraw/zinc/29/15/76/325291576.db2.gz BSXMFNRUBXCPJR-MRXNPFEDSA-N 2 2 338.436 3.253 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424274085 458600343 /nfs/dbraw/zinc/60/03/43/458600343.db2.gz VDZFQAQYKJNGGB-KGLIPLIRSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424274085 458600351 /nfs/dbraw/zinc/60/03/51/458600351.db2.gz VDZFQAQYKJNGGB-KGLIPLIRSA-N 2 2 326.868 3.110 10 0 EGAELP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000264731221 455271554 /nfs/dbraw/zinc/27/15/54/455271554.db2.gz BYANSXFQPWTFNP-HNNXBMFYSA-N 2 2 326.400 3.090 10 0 EGAELP C[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000264731221 455271558 /nfs/dbraw/zinc/27/15/58/455271558.db2.gz BYANSXFQPWTFNP-HNNXBMFYSA-N 2 2 326.400 3.090 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380230 455276438 /nfs/dbraw/zinc/27/64/38/455276438.db2.gz XJWMZUIAMAJBDT-XJKSGUPXSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380230 455276441 /nfs/dbraw/zinc/27/64/41/455276441.db2.gz XJWMZUIAMAJBDT-XJKSGUPXSA-N 2 2 330.394 3.467 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884818 460587830 /nfs/dbraw/zinc/58/78/30/460587830.db2.gz OUYPLXCOVPDKHR-ABAIWWIYSA-N 2 2 342.270 3.006 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884818 460587834 /nfs/dbraw/zinc/58/78/34/460587834.db2.gz OUYPLXCOVPDKHR-ABAIWWIYSA-N 2 2 342.270 3.006 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](CCc3cccs3)CC2)c1C ZINC000067227181 453912647 /nfs/dbraw/zinc/91/26/47/453912647.db2.gz QVXVDIPJASWINW-UHFFFAOYSA-N 2 2 345.512 3.129 10 0 EGAELP CC(C)CC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000084554020 453997218 /nfs/dbraw/zinc/99/72/18/453997218.db2.gz DFXREFKYEUTERW-UHFFFAOYSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000246097862 455425865 /nfs/dbraw/zinc/42/58/65/455425865.db2.gz HIXPOZKZSLSOEQ-IAGOWNOFSA-N 2 2 338.455 3.151 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000246097862 455425869 /nfs/dbraw/zinc/42/58/69/455425869.db2.gz HIXPOZKZSLSOEQ-IAGOWNOFSA-N 2 2 338.455 3.151 10 0 EGAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435265 454195580 /nfs/dbraw/zinc/19/55/80/454195580.db2.gz WPYIELLRDDRARJ-BEFAXECRSA-N 2 2 339.487 3.225 10 0 EGAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435265 454195584 /nfs/dbraw/zinc/19/55/84/454195584.db2.gz WPYIELLRDDRARJ-BEFAXECRSA-N 2 2 339.487 3.225 10 0 EGAELP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000095402078 454204085 /nfs/dbraw/zinc/20/40/85/454204085.db2.gz QFUSOMSPGIHUKC-CQSZACIVSA-N 2 2 333.505 3.161 10 0 EGAELP COC(=O)c1sccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000119703623 454214309 /nfs/dbraw/zinc/21/43/09/454214309.db2.gz NECRWFZYROZABJ-CQSZACIVSA-N 2 2 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0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000080971054 454661566 /nfs/dbraw/zinc/66/15/66/454661566.db2.gz HBTCKVWTUSADJB-INIZCTEOSA-N 2 2 327.476 3.215 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000105897684 454667469 /nfs/dbraw/zinc/66/74/69/454667469.db2.gz QHEQTJJFSFEKBL-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2OC)C1 ZINC000105897684 454667480 /nfs/dbraw/zinc/66/74/80/454667480.db2.gz QHEQTJJFSFEKBL-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095719 454685032 /nfs/dbraw/zinc/68/50/32/454685032.db2.gz HUBRWWLGMPPVDI-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095719 454685040 /nfs/dbraw/zinc/68/50/40/454685040.db2.gz HUBRWWLGMPPVDI-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095719 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ZINC000163399992 454844316 /nfs/dbraw/zinc/84/43/16/454844316.db2.gz MWVIBNWBRBLPOB-XJKSGUPXSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000163399992 454844318 /nfs/dbraw/zinc/84/43/18/454844318.db2.gz MWVIBNWBRBLPOB-XJKSGUPXSA-N 2 2 330.394 3.467 10 0 EGAELP COc1cccc2c(NC[C@@H](c3cnn(C)c3)[NH+](C)C)cc(C)[nH+]c12 ZINC000126672134 454910367 /nfs/dbraw/zinc/91/03/67/454910367.db2.gz QQGNBNPBWPKLHB-KRWDZBQOSA-N 2 2 339.443 3.000 10 0 EGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1N(C)C ZINC000151529313 454997430 /nfs/dbraw/zinc/99/74/30/454997430.db2.gz HLJUEOKAPZZZBB-CQSZACIVSA-N 2 2 339.418 3.323 10 0 EGAELP CC[N@H+](CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)C1CC1 ZINC000151618838 455008192 /nfs/dbraw/zinc/00/81/92/455008192.db2.gz ZHWUPADOKJDRAP-UHFFFAOYSA-N 2 2 338.455 3.309 10 0 EGAELP CC[N@@H+](CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)C1CC1 ZINC000151618838 455008194 /nfs/dbraw/zinc/00/81/94/455008194.db2.gz ZHWUPADOKJDRAP-UHFFFAOYSA-N 2 2 338.455 3.309 10 0 EGAELP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151689025 455017684 /nfs/dbraw/zinc/01/76/84/455017684.db2.gz LVLSRWFXRZPISX-AWEZNQCLSA-N 2 2 334.414 3.252 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179528612 455056124 /nfs/dbraw/zinc/05/61/24/455056124.db2.gz TZRCVXIDGIHLNX-UHFFFAOYSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179528612 455056128 /nfs/dbraw/zinc/05/61/28/455056128.db2.gz TZRCVXIDGIHLNX-UHFFFAOYSA-N 2 2 335.455 3.265 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000156382601 455112335 /nfs/dbraw/zinc/11/23/35/455112335.db2.gz YKCODPRONBYODX-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000156382601 455112338 /nfs/dbraw/zinc/11/23/38/455112338.db2.gz YKCODPRONBYODX-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129768216 455125202 /nfs/dbraw/zinc/12/52/02/455125202.db2.gz ZAZMHOIBDBPBJN-KBXCAEBGSA-N 2 2 328.460 3.087 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129768216 455125204 /nfs/dbraw/zinc/12/52/04/455125204.db2.gz ZAZMHOIBDBPBJN-KBXCAEBGSA-N 2 2 328.460 3.087 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000180130878 455137179 /nfs/dbraw/zinc/13/71/79/455137179.db2.gz FBRNGEOGZGEXQI-OAHLLOKOSA-N 2 2 329.473 3.182 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000180130878 455137181 /nfs/dbraw/zinc/13/71/81/455137181.db2.gz FBRNGEOGZGEXQI-OAHLLOKOSA-N 2 2 329.473 3.182 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000237580257 455196517 /nfs/dbraw/zinc/19/65/17/455196517.db2.gz IMPCUIPJSZYXIV-OAHLLOKOSA-N 2 2 346.446 3.452 10 0 EGAELP CCC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccn1 ZINC000180568993 455199405 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337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443070 455301624 /nfs/dbraw/zinc/30/16/24/455301624.db2.gz WWKMXHALAWIBDS-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478854 455327794 /nfs/dbraw/zinc/32/77/94/455327794.db2.gz NJJLOPVPQFFVMK-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478854 455327799 /nfs/dbraw/zinc/32/77/99/455327799.db2.gz NJJLOPVPQFFVMK-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190478854 455327806 /nfs/dbraw/zinc/32/78/06/455327806.db2.gz NJJLOPVPQFFVMK-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190478854 455327809 /nfs/dbraw/zinc/32/78/09/455327809.db2.gz NJJLOPVPQFFVMK-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245566515 455331170 /nfs/dbraw/zinc/33/11/70/455331170.db2.gz FARRFVVQLLDDMZ-CZUORRHYSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245566515 455331172 /nfs/dbraw/zinc/33/11/72/455331172.db2.gz FARRFVVQLLDDMZ-CZUORRHYSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936588 455342568 /nfs/dbraw/zinc/34/25/68/455342568.db2.gz MBKOLGFLCVXWDW-JXFKEZNVSA-N 2 2 348.450 3.352 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652285 455348032 /nfs/dbraw/zinc/34/80/32/455348032.db2.gz HRXULKUUOPCHLP-CVEARBPZSA-N 2 2 340.254 3.170 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652285 455348035 /nfs/dbraw/zinc/34/80/35/455348035.db2.gz HRXULKUUOPCHLP-CVEARBPZSA-N 2 2 340.254 3.170 10 0 EGAELP Cc1cn2cc(NC(=O)NCc3cccc(C[NH+](C)C)c3)ccc2[nH+]1 ZINC000265698193 455364249 /nfs/dbraw/zinc/36/42/49/455364249.db2.gz HOFFEFVIVLQMJD-UHFFFAOYSA-N 2 2 337.427 3.026 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@H](C)C1 ZINC000245764160 455375084 /nfs/dbraw/zinc/37/50/84/455375084.db2.gz QKDABRHALNWBEA-VCBZYWHSSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@H](C)C1 ZINC000245764160 455375088 /nfs/dbraw/zinc/37/50/88/455375088.db2.gz QKDABRHALNWBEA-VCBZYWHSSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@H](C)C1 ZINC000245764160 455375092 /nfs/dbraw/zinc/37/50/92/455375092.db2.gz QKDABRHALNWBEA-VCBZYWHSSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@H](C)C1 ZINC000245764160 455375096 /nfs/dbraw/zinc/37/50/96/455375096.db2.gz QKDABRHALNWBEA-VCBZYWHSSA-N 2 2 332.488 3.181 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000245849540 455385209 /nfs/dbraw/zinc/38/52/09/455385209.db2.gz GEBIHVWGXSURTG-KBXCAEBGSA-N 2 2 330.863 3.130 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000245849540 455385215 /nfs/dbraw/zinc/38/52/15/455385215.db2.gz GEBIHVWGXSURTG-KBXCAEBGSA-N 2 2 330.863 3.130 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000245844211 455385520 /nfs/dbraw/zinc/38/55/20/455385520.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000245844211 455385525 /nfs/dbraw/zinc/38/55/25/455385525.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000245844211 455385529 /nfs/dbraw/zinc/38/55/29/455385529.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000245844211 455385532 /nfs/dbraw/zinc/38/55/32/455385532.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000245844211 455385534 /nfs/dbraw/zinc/38/55/34/455385534.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000245844211 455385535 /nfs/dbraw/zinc/38/55/35/455385535.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266733927 455444666 /nfs/dbraw/zinc/44/46/66/455444666.db2.gz KCCZXSQJYHNABH-UHFFFAOYSA-N 2 2 340.471 3.175 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000246236228 455454486 /nfs/dbraw/zinc/45/44/86/455454486.db2.gz HCKXPRJOIOQVDG-XJKSGUPXSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000246236228 455454490 /nfs/dbraw/zinc/45/44/90/455454490.db2.gz HCKXPRJOIOQVDG-XJKSGUPXSA-N 2 2 347.846 3.391 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccsc1C(=O)OC ZINC000191494409 455490015 /nfs/dbraw/zinc/49/00/15/455490015.db2.gz OGKHVVCAASUXKB-UHFFFAOYSA-N 2 2 335.473 3.206 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000191494409 455490017 /nfs/dbraw/zinc/49/00/17/455490017.db2.gz OGKHVVCAASUXKB-UHFFFAOYSA-N 2 2 335.473 3.206 10 0 EGAELP c1ccc(COCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000182402469 455506885 /nfs/dbraw/zinc/50/68/85/455506885.db2.gz KMJHZADFDYUOIG-IBGZPJMESA-N 2 2 325.456 3.422 10 0 EGAELP c1ccc(COCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000182402469 455506889 /nfs/dbraw/zinc/50/68/89/455506889.db2.gz KMJHZADFDYUOIG-IBGZPJMESA-N 2 2 325.456 3.422 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(O)c1 ZINC000247021472 455546045 /nfs/dbraw/zinc/54/60/45/455546045.db2.gz MWGWLUDBIFLJLN-GQIGUUNPSA-N 2 2 325.456 3.348 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(O)c1 ZINC000247021472 455546048 /nfs/dbraw/zinc/54/60/48/455546048.db2.gz MWGWLUDBIFLJLN-GQIGUUNPSA-N 2 2 325.456 3.348 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247033414 455547900 /nfs/dbraw/zinc/54/79/00/455547900.db2.gz MILNEADOVQMODD-AEFFLSMTSA-N 2 2 342.487 3.134 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247033414 455547905 /nfs/dbraw/zinc/54/79/05/455547905.db2.gz MILNEADOVQMODD-AEFFLSMTSA-N 2 2 342.487 3.134 10 0 EGAELP Cc1ccc2[nH+]ccc(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000185489388 455565563 /nfs/dbraw/zinc/56/55/63/455565563.db2.gz ROLXPWNCLAOOQH-UHFFFAOYSA-N 2 2 334.423 3.387 10 0 EGAELP Cc1nc(N2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)cc[nH+]1 ZINC000185575622 455580693 /nfs/dbraw/zinc/58/06/93/455580693.db2.gz RNDGQESCLRWNBT-UHFFFAOYSA-N 2 2 342.409 3.276 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247635576 455631392 /nfs/dbraw/zinc/63/13/92/455631392.db2.gz ODDHMOSAHDJTAJ-GXTWGEPZSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247635576 455631396 /nfs/dbraw/zinc/63/13/96/455631396.db2.gz ODDHMOSAHDJTAJ-GXTWGEPZSA-N 2 2 329.429 3.078 10 0 EGAELP Cc1ccc2c(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000247785253 455646013 /nfs/dbraw/zinc/64/60/13/455646013.db2.gz YGKZHAITIBYTMA-YJBOKZPZSA-N 2 2 337.423 3.381 10 0 EGAELP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000247785253 455646019 /nfs/dbraw/zinc/64/60/19/455646019.db2.gz YGKZHAITIBYTMA-YJBOKZPZSA-N 2 2 337.423 3.381 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)ccc2O1 ZINC000186406672 455761711 /nfs/dbraw/zinc/76/17/11/455761711.db2.gz XOSUVHVKRQKKPD-UHFFFAOYSA-N 2 2 337.423 3.312 10 0 EGAELP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000186620313 455806502 /nfs/dbraw/zinc/80/65/02/455806502.db2.gz CMLGAXTTWKWIQH-UHFFFAOYSA-N 2 2 339.483 3.063 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)o1 ZINC000623728976 460695177 /nfs/dbraw/zinc/69/51/77/460695177.db2.gz IROVMZLGCKHLMX-QGZVFWFLSA-N 2 2 328.460 3.095 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)o1 ZINC000623728976 460695180 /nfs/dbraw/zinc/69/51/80/460695180.db2.gz IROVMZLGCKHLMX-QGZVFWFLSA-N 2 2 328.460 3.095 10 0 EGAELP C[N@H+](Cc1sccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385875 455834731 /nfs/dbraw/zinc/83/47/31/455834731.db2.gz XXECEVNNFVFNCP-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP C[N@@H+](Cc1sccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385875 455834741 /nfs/dbraw/zinc/83/47/41/455834741.db2.gz XXECEVNNFVFNCP-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000296249099 455890670 /nfs/dbraw/zinc/89/06/70/455890670.db2.gz CYRWBOHONNXZHU-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000296249099 455890671 /nfs/dbraw/zinc/89/06/71/455890671.db2.gz CYRWBOHONNXZHU-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000270291150 455921656 /nfs/dbraw/zinc/92/16/56/455921656.db2.gz OXMNCICEFBLCIF-LEWJYISDSA-N 2 2 332.451 3.407 10 0 EGAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582963 460701462 /nfs/dbraw/zinc/70/14/62/460701462.db2.gz KBQBOMSFFMEWSS-IYBDPMFKSA-N 2 2 343.475 3.214 10 0 EGAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582963 460701468 /nfs/dbraw/zinc/70/14/68/460701468.db2.gz KBQBOMSFFMEWSS-IYBDPMFKSA-N 2 2 343.475 3.214 10 0 EGAELP COc1cccc(OC)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000286403421 456040427 /nfs/dbraw/zinc/04/04/27/456040427.db2.gz HOPBOHHZHOLNKB-UHFFFAOYSA-N 2 2 332.419 3.194 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272733 456184621 /nfs/dbraw/zinc/18/46/21/456184621.db2.gz YPBPGOYVKXSZCH-FUHWJXTLSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272733 456184627 /nfs/dbraw/zinc/18/46/27/456184627.db2.gz YPBPGOYVKXSZCH-FUHWJXTLSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272733 456184629 /nfs/dbraw/zinc/18/46/29/456184629.db2.gz YPBPGOYVKXSZCH-FUHWJXTLSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272733 456184634 /nfs/dbraw/zinc/18/46/34/456184634.db2.gz YPBPGOYVKXSZCH-FUHWJXTLSA-N 2 2 342.487 3.043 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000290216706 456268990 /nfs/dbraw/zinc/26/89/90/456268990.db2.gz QMAXHIJBMLCFOJ-BRWVUGGUSA-N 2 2 342.512 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000290216706 456268992 /nfs/dbraw/zinc/26/89/92/456268992.db2.gz QMAXHIJBMLCFOJ-BRWVUGGUSA-N 2 2 342.512 3.101 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760831 456355167 /nfs/dbraw/zinc/35/51/67/456355167.db2.gz USVXIQIHNFPLAO-INIZCTEOSA-N 2 2 339.361 3.055 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760831 456355170 /nfs/dbraw/zinc/35/51/70/456355170.db2.gz USVXIQIHNFPLAO-INIZCTEOSA-N 2 2 339.361 3.055 10 0 EGAELP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994867 456384407 /nfs/dbraw/zinc/38/44/07/456384407.db2.gz IKXLSIIHVHSEOB-HIFRSBDPSA-N 2 2 341.459 3.420 10 0 EGAELP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994867 456384413 /nfs/dbraw/zinc/38/44/13/456384413.db2.gz IKXLSIIHVHSEOB-HIFRSBDPSA-N 2 2 341.459 3.420 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000302817646 456408393 /nfs/dbraw/zinc/40/83/93/456408393.db2.gz IVIKZKNIVKRYEU-YLJYHZDGSA-N 2 2 337.471 3.324 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000302817646 456408396 /nfs/dbraw/zinc/40/83/96/456408396.db2.gz IVIKZKNIVKRYEU-YLJYHZDGSA-N 2 2 337.471 3.324 10 0 EGAELP Cc1ncsc1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199483 456441173 /nfs/dbraw/zinc/44/11/73/456441173.db2.gz XBSCJPFFHAMLLK-OAHLLOKOSA-N 2 2 330.501 3.406 10 0 EGAELP Cc1ncsc1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199483 456441178 /nfs/dbraw/zinc/44/11/78/456441178.db2.gz XBSCJPFFHAMLLK-OAHLLOKOSA-N 2 2 330.501 3.406 10 0 EGAELP Cc1[nH+]cc(C[NH2+]CC2(O)CCC(F)(F)CC2)n1-c1ccccc1 ZINC000657777582 462262598 /nfs/dbraw/zinc/26/25/98/462262598.db2.gz VQCMACFPDGRDTC-UHFFFAOYSA-N 2 2 335.398 3.211 10 0 EGAELP Cc1[nH+]cc(C[NH2+]CC2(CC(N)=O)CCCCC2)n1-c1ccccc1 ZINC000657796514 462272061 /nfs/dbraw/zinc/27/20/61/462272061.db2.gz DBSCFNOPHXZMAY-UHFFFAOYSA-N 2 2 340.471 3.096 10 0 EGAELP FC(F)OC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000648817765 462292237 /nfs/dbraw/zinc/29/22/37/462292237.db2.gz BIFLIWWVKPSCAZ-UHFFFAOYSA-N 2 2 325.403 3.190 10 0 EGAELP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337779403 456540976 /nfs/dbraw/zinc/54/09/76/456540976.db2.gz AEUAIMHQAHRMAO-FQEVSTJZSA-N 2 2 339.483 3.486 10 0 EGAELP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337779403 456540978 /nfs/dbraw/zinc/54/09/78/456540978.db2.gz AEUAIMHQAHRMAO-FQEVSTJZSA-N 2 2 339.483 3.486 10 0 EGAELP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353249279 456585399 /nfs/dbraw/zinc/58/53/99/456585399.db2.gz NDTMLOZBEFLGLT-NSHDSACASA-N 2 2 339.270 3.430 10 0 EGAELP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353249279 456585406 /nfs/dbraw/zinc/58/54/06/456585406.db2.gz NDTMLOZBEFLGLT-NSHDSACASA-N 2 2 339.270 3.430 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279748 456636324 /nfs/dbraw/zinc/63/63/24/456636324.db2.gz IHDHPYHPPOADNJ-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279748 456636327 /nfs/dbraw/zinc/63/63/27/456636327.db2.gz IHDHPYHPPOADNJ-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000348352685 456643367 /nfs/dbraw/zinc/64/33/67/456643367.db2.gz KRXMMWIKKLTWSR-YLJYHZDGSA-N 2 2 337.467 3.102 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H]2CCC[C@@H]21 ZINC000353615746 456804948 /nfs/dbraw/zinc/80/49/48/456804948.db2.gz AKWFEMDJFSNHSY-JYJNAYRXSA-N 2 2 328.485 3.168 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H]2CCC[C@@H]21 ZINC000353615746 456804954 /nfs/dbraw/zinc/80/49/54/456804954.db2.gz AKWFEMDJFSNHSY-JYJNAYRXSA-N 2 2 328.485 3.168 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H]2CCC[C@H]21 ZINC000353615745 456805225 /nfs/dbraw/zinc/80/52/25/456805225.db2.gz AKWFEMDJFSNHSY-HRCADAONSA-N 2 2 328.485 3.168 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H]2CCC[C@H]21 ZINC000353615745 456805227 /nfs/dbraw/zinc/80/52/27/456805227.db2.gz AKWFEMDJFSNHSY-HRCADAONSA-N 2 2 328.485 3.168 10 0 EGAELP C[NH+](C)CCNC(=O)c1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301140640 456805949 /nfs/dbraw/zinc/80/59/49/456805949.db2.gz FIXLIYUMGAZQBP-UHFFFAOYSA-N 2 2 348.450 3.138 10 0 EGAELP CCC[N@H+](C)[C@H](C[NH2+][C@@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660104 456837291 /nfs/dbraw/zinc/83/72/91/456837291.db2.gz LIMAISLKRYXVLO-ZWKOTPCHSA-N 2 2 349.910 3.383 10 0 EGAELP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660104 456837298 /nfs/dbraw/zinc/83/72/98/456837298.db2.gz LIMAISLKRYXVLO-ZWKOTPCHSA-N 2 2 349.910 3.383 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042348 456837423 /nfs/dbraw/zinc/83/74/23/456837423.db2.gz APNNWPPISKIBFU-QFIPXVFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042348 456837430 /nfs/dbraw/zinc/83/74/30/456837430.db2.gz APNNWPPISKIBFU-QFIPXVFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042348 456837437 /nfs/dbraw/zinc/83/74/37/456837437.db2.gz APNNWPPISKIBFU-QFIPXVFZSA-N 2 2 349.478 3.467 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042348 456837443 /nfs/dbraw/zinc/83/74/43/456837443.db2.gz APNNWPPISKIBFU-QFIPXVFZSA-N 2 2 349.478 3.467 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000338637745 456848254 /nfs/dbraw/zinc/84/82/54/456848254.db2.gz OWWSACUZQIPPAU-RTWAWAEBSA-N 2 2 345.531 3.295 10 0 EGAELP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1OC ZINC000342086501 457100185 /nfs/dbraw/zinc/10/01/85/457100185.db2.gz PSBLGKQJQQLPGO-UHFFFAOYSA-N 2 2 341.455 3.166 10 0 EGAELP CCC[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000342587956 457382605 /nfs/dbraw/zinc/38/26/05/457382605.db2.gz LORCZAMKWZYYID-GOSISDBHSA-N 2 2 340.471 3.247 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000374018662 457441658 /nfs/dbraw/zinc/44/16/58/457441658.db2.gz PCQGEGLOKCNPBF-UWVAXJGDSA-N 2 2 341.455 3.031 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000374018662 457441663 /nfs/dbraw/zinc/44/16/63/457441663.db2.gz PCQGEGLOKCNPBF-UWVAXJGDSA-N 2 2 341.455 3.031 10 0 EGAELP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361002519 457502201 /nfs/dbraw/zinc/50/22/01/457502201.db2.gz KDCUQIRVJPNNFC-HNNXBMFYSA-N 2 2 335.455 3.335 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000374197430 457517467 /nfs/dbraw/zinc/51/74/67/457517467.db2.gz DBPBRSHIMOJZRQ-CYBMUJFWSA-N 2 2 330.407 3.064 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000374210817 457522662 /nfs/dbraw/zinc/52/26/62/457522662.db2.gz WPDYCRVTCPQVSF-INIZCTEOSA-N 2 2 340.471 3.083 10 0 EGAELP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000425380919 457529366 /nfs/dbraw/zinc/52/93/66/457529366.db2.gz MAHSBXHEXGUVLC-UHFFFAOYSA-N 2 2 336.430 3.306 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2c3c(nn2C)CCCC3)n1-c1ccccc1 ZINC000361067883 457559849 /nfs/dbraw/zinc/55/98/49/457559849.db2.gz SUKPWYZWTLOZFR-UHFFFAOYSA-N 2 2 335.455 3.083 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCN(C2CC2)CC1 ZINC000361294249 457682380 /nfs/dbraw/zinc/68/23/80/457682380.db2.gz DJBZPJBCMJONKM-UHFFFAOYSA-N 2 2 326.488 3.295 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(OCc3ccccn3)c1)C2 ZINC000370728796 457708420 /nfs/dbraw/zinc/70/84/20/457708420.db2.gz DHRJFQRFRLNFTI-INIZCTEOSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000370728796 457708425 /nfs/dbraw/zinc/70/84/25/457708425.db2.gz DHRJFQRFRLNFTI-INIZCTEOSA-N 2 2 334.423 3.031 10 0 EGAELP COCC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCOC1 ZINC000361395451 457717618 /nfs/dbraw/zinc/71/76/18/457717618.db2.gz OJNFBXFCTZJYHT-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP COCC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCOC1 ZINC000361395451 457717622 /nfs/dbraw/zinc/71/76/22/457717622.db2.gz OJNFBXFCTZJYHT-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2ccnn2C)c1 ZINC000374903753 457731131 /nfs/dbraw/zinc/73/11/31/457731131.db2.gz QZKKNHGNLIMQAM-UHFFFAOYSA-N 2 2 335.455 3.498 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000361524193 457769667 /nfs/dbraw/zinc/76/96/67/457769667.db2.gz JVQRRWQSHZTQQR-ZDUSSCGKSA-N 2 2 333.382 3.252 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358220168 457868730 /nfs/dbraw/zinc/86/87/30/457868730.db2.gz DRVXDTHTZCIWPI-OAHLLOKOSA-N 2 2 327.472 3.219 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358220168 457868735 /nfs/dbraw/zinc/86/87/35/457868735.db2.gz DRVXDTHTZCIWPI-OAHLLOKOSA-N 2 2 327.472 3.219 10 0 EGAELP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876515 /nfs/dbraw/zinc/87/65/15/457876515.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 2 2 327.516 3.281 10 0 EGAELP CC1=CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876521 /nfs/dbraw/zinc/87/65/21/457876521.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 2 2 327.516 3.281 10 0 EGAELP CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361864794 457917421 /nfs/dbraw/zinc/91/74/21/457917421.db2.gz FNEPOAFCYNUOKP-UHFFFAOYSA-N 2 2 329.444 3.392 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000375660437 458009109 /nfs/dbraw/zinc/00/91/09/458009109.db2.gz NKMYNCJPXDYQPD-UHFFFAOYSA-N 2 2 333.439 3.204 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000375660437 458009117 /nfs/dbraw/zinc/00/91/17/458009117.db2.gz NKMYNCJPXDYQPD-UHFFFAOYSA-N 2 2 333.439 3.204 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000375918015 458125261 /nfs/dbraw/zinc/12/52/61/458125261.db2.gz ISCGEOIFICXODQ-UHFFFAOYSA-N 2 2 338.411 3.417 10 0 EGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccccc1Cl ZINC000369342271 458179131 /nfs/dbraw/zinc/17/91/31/458179131.db2.gz HZJYAHJKXYMOBM-UHFFFAOYSA-N 2 2 332.835 3.271 10 0 EGAELP Cc1cnc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975344 458244530 /nfs/dbraw/zinc/24/45/30/458244530.db2.gz HUEAJWMITWSLDH-NQIIRXRSSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975344 458244532 /nfs/dbraw/zinc/24/45/32/458244532.db2.gz HUEAJWMITWSLDH-NQIIRXRSSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975344 458244534 /nfs/dbraw/zinc/24/45/34/458244534.db2.gz HUEAJWMITWSLDH-NQIIRXRSSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975344 458244536 /nfs/dbraw/zinc/24/45/36/458244536.db2.gz HUEAJWMITWSLDH-NQIIRXRSSA-N 2 2 336.483 3.444 10 0 EGAELP C[NH+](C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543921 458307440 /nfs/dbraw/zinc/30/74/40/458307440.db2.gz UBTUVTDLIWIWJC-WOZUAGRISA-N 3 2 327.516 3.112 10 0 EGAELP C[NH+](C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447543921 458307443 /nfs/dbraw/zinc/30/74/43/458307443.db2.gz UBTUVTDLIWIWJC-WOZUAGRISA-N 3 2 327.516 3.112 10 0 EGAELP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439618 458370806 /nfs/dbraw/zinc/37/08/06/458370806.db2.gz KMWCYKCSGDOTCF-RTBURBONSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439618 458370809 /nfs/dbraw/zinc/37/08/09/458370809.db2.gz KMWCYKCSGDOTCF-RTBURBONSA-N 2 2 333.907 3.302 10 0 EGAELP FCCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502226 458393830 /nfs/dbraw/zinc/39/38/30/458393830.db2.gz GCDYUTYVQWXNIA-UHFFFAOYSA-N 2 2 339.886 3.286 10 0 EGAELP CCC(CC)(C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083498 458549437 /nfs/dbraw/zinc/54/94/37/458549437.db2.gz DTVSCVNTONWHFU-NVXWUHKLSA-N 2 2 334.504 3.301 10 0 EGAELP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083498 458549442 /nfs/dbraw/zinc/54/94/42/458549442.db2.gz DTVSCVNTONWHFU-NVXWUHKLSA-N 2 2 334.504 3.301 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)[C@H](C)C1 ZINC000424330681 458617763 /nfs/dbraw/zinc/61/77/63/458617763.db2.gz UNFQOFLZTYUJPL-GSEOLPGOSA-N 2 2 334.479 3.350 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)[C@H](C)C1 ZINC000424330681 458617769 /nfs/dbraw/zinc/61/77/69/458617769.db2.gz UNFQOFLZTYUJPL-GSEOLPGOSA-N 2 2 334.479 3.350 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)Cc1ccccc1 ZINC000462784006 458653509 /nfs/dbraw/zinc/65/35/09/458653509.db2.gz ZRSVRBBIURGWMV-BQJUDKOJSA-N 2 2 330.516 3.344 10 0 EGAELP Cc1cc(C)c([C@@H](C)[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c(C)c1 ZINC000518419470 458866218 /nfs/dbraw/zinc/86/62/18/458866218.db2.gz DWDXNBSTCGMXBB-GOSISDBHSA-N 2 2 326.488 3.224 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000532213601 459046872 /nfs/dbraw/zinc/04/68/72/459046872.db2.gz HDOCJTVVWYWITD-NWDGAFQWSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000532213601 459046878 /nfs/dbraw/zinc/04/68/78/459046878.db2.gz HDOCJTVVWYWITD-NWDGAFQWSA-N 2 2 347.322 3.272 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000594493711 459058844 /nfs/dbraw/zinc/05/88/44/459058844.db2.gz ILUXIFLBXFFCOB-GUDVDZBRSA-N 2 2 328.456 3.067 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000594493711 459058846 /nfs/dbraw/zinc/05/88/46/459058846.db2.gz ILUXIFLBXFFCOB-GUDVDZBRSA-N 2 2 328.456 3.067 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609608 459060880 /nfs/dbraw/zinc/06/08/80/459060880.db2.gz DUOHKAZSFGMXNK-ROUUACIJSA-N 3 2 336.483 3.054 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609608 459060883 /nfs/dbraw/zinc/06/08/83/459060883.db2.gz DUOHKAZSFGMXNK-ROUUACIJSA-N 3 2 336.483 3.054 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000557365657 459066794 /nfs/dbraw/zinc/06/67/94/459066794.db2.gz AEIPQQWRZHYDFX-UMSONDCASA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000557365657 459066799 /nfs/dbraw/zinc/06/67/99/459066799.db2.gz AEIPQQWRZHYDFX-UMSONDCASA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000557365659 459067082 /nfs/dbraw/zinc/06/70/82/459067082.db2.gz AEIPQQWRZHYDFX-VRXWPRPYSA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000557365659 459067086 /nfs/dbraw/zinc/06/70/86/459067086.db2.gz AEIPQQWRZHYDFX-VRXWPRPYSA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000557586867 459088394 /nfs/dbraw/zinc/08/83/94/459088394.db2.gz WVXKGEBIHXXIKJ-LJQANCHMSA-N 2 2 337.423 3.013 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476284 459094835 /nfs/dbraw/zinc/09/48/35/459094835.db2.gz STUVFPQKNSTSKH-BEFAXECRSA-N 2 2 329.488 3.245 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476284 459094839 /nfs/dbraw/zinc/09/48/39/459094839.db2.gz STUVFPQKNSTSKH-BEFAXECRSA-N 2 2 329.488 3.245 10 0 EGAELP CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000594624488 459117202 /nfs/dbraw/zinc/11/72/02/459117202.db2.gz RBDPOCWARWURNN-INIZCTEOSA-N 2 2 335.473 3.390 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146129 459185629 /nfs/dbraw/zinc/18/56/29/459185629.db2.gz VWZPZRLPZWRYLC-UYAOXDASSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146129 459185633 /nfs/dbraw/zinc/18/56/33/459185633.db2.gz VWZPZRLPZWRYLC-UYAOXDASSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590727260 459195972 /nfs/dbraw/zinc/19/59/72/459195972.db2.gz BWXRSJCNNQMNRG-IBGZPJMESA-N 2 2 340.471 3.202 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535693 459203702 /nfs/dbraw/zinc/20/37/02/459203702.db2.gz LMJPJFPUWXRXGD-NRSPTQNISA-N 3 2 331.548 3.463 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535693 459203709 /nfs/dbraw/zinc/20/37/09/459203709.db2.gz LMJPJFPUWXRXGD-NRSPTQNISA-N 3 2 331.548 3.463 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535692 459203866 /nfs/dbraw/zinc/20/38/66/459203866.db2.gz LMJPJFPUWXRXGD-HMXCVIKNSA-N 3 2 331.548 3.463 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535692 459203873 /nfs/dbraw/zinc/20/38/73/459203873.db2.gz LMJPJFPUWXRXGD-HMXCVIKNSA-N 3 2 331.548 3.463 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081872 459308132 /nfs/dbraw/zinc/30/81/32/459308132.db2.gz ATWRLQRYPNUWOT-MRXNPFEDSA-N 2 2 338.411 3.384 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081872 459308137 /nfs/dbraw/zinc/30/81/37/459308137.db2.gz ATWRLQRYPNUWOT-MRXNPFEDSA-N 2 2 338.411 3.384 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083136 459310008 /nfs/dbraw/zinc/31/00/08/459310008.db2.gz PHJACIZTEKNDNV-GOSISDBHSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083136 459310014 /nfs/dbraw/zinc/31/00/14/459310014.db2.gz PHJACIZTEKNDNV-GOSISDBHSA-N 2 2 340.471 3.284 10 0 EGAELP O=C(Cn1cc[nH+]c1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000569607987 459481743 /nfs/dbraw/zinc/48/17/43/459481743.db2.gz ZSHHZHVBAIKFBZ-UHFFFAOYSA-N 2 2 344.484 3.100 10 0 EGAELP CCCn1c2ccccc2[nH+]c1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000542214734 459536565 /nfs/dbraw/zinc/53/65/65/459536565.db2.gz NWMBZBRJPMPYGI-UHFFFAOYSA-N 2 2 346.438 3.369 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000583661606 459576491 /nfs/dbraw/zinc/57/64/91/459576491.db2.gz UVOQCFFVCNZDMZ-JXFKEZNVSA-N 2 2 338.451 3.398 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000583661606 459576497 /nfs/dbraw/zinc/57/64/97/459576497.db2.gz UVOQCFFVCNZDMZ-JXFKEZNVSA-N 2 2 338.451 3.398 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)cn21 ZINC000592401089 459593297 /nfs/dbraw/zinc/59/32/97/459593297.db2.gz CGPRJGMXTZUTPI-OWJWWREXSA-N 2 2 341.480 3.273 10 0 EGAELP Cc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccn1 ZINC000527698895 459706398 /nfs/dbraw/zinc/70/63/98/459706398.db2.gz AHXJVWHZLBGPEY-UHFFFAOYSA-N 2 2 327.394 3.285 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1-n1cncn1 ZINC000527751103 459725473 /nfs/dbraw/zinc/72/54/73/459725473.db2.gz HACFLDFARLEKQV-IBGZPJMESA-N 2 2 339.487 3.072 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)ccc1-n1cncn1 ZINC000527751103 459725476 /nfs/dbraw/zinc/72/54/76/459725476.db2.gz HACFLDFARLEKQV-IBGZPJMESA-N 2 2 339.487 3.072 10 0 EGAELP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)OCCCCO2 ZINC000527812874 459748076 /nfs/dbraw/zinc/74/80/76/459748076.db2.gz WLFVQTAIVSFCKU-SFHVURJKSA-N 2 2 330.472 3.345 10 0 EGAELP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)OCCCCO2 ZINC000527812874 459748080 /nfs/dbraw/zinc/74/80/80/459748080.db2.gz WLFVQTAIVSFCKU-SFHVURJKSA-N 2 2 330.472 3.345 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861761 459760477 /nfs/dbraw/zinc/76/04/77/459760477.db2.gz ZJUFKZYPUYTXEG-GUYCJALGSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861761 459760482 /nfs/dbraw/zinc/76/04/82/459760482.db2.gz ZJUFKZYPUYTXEG-GUYCJALGSA-N 2 2 326.843 3.167 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c(C)n2n1 ZINC000528007777 459795254 /nfs/dbraw/zinc/79/52/54/459795254.db2.gz CHXHJCLYSDXXDY-PBHICJAKSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c(C)n2n1 ZINC000528007777 459795259 /nfs/dbraw/zinc/79/52/59/459795259.db2.gz CHXHJCLYSDXXDY-PBHICJAKSA-N 2 2 327.476 3.014 10 0 EGAELP C[C@@H](CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000566364404 459851968 /nfs/dbraw/zinc/85/19/68/459851968.db2.gz PFQSKAQPXXQOOS-INIZCTEOSA-N 2 2 334.508 3.193 10 0 EGAELP c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n(CCc2ccccc2)n1 ZINC000621713596 460019096 /nfs/dbraw/zinc/01/90/96/460019096.db2.gz ONHAUKROHYKMKB-UHFFFAOYSA-N 2 2 335.455 3.229 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717773 460021304 /nfs/dbraw/zinc/02/13/04/460021304.db2.gz NQDOVKYVSBZNTO-AZUAARDMSA-N 2 2 340.515 3.430 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717773 460021308 /nfs/dbraw/zinc/02/13/08/460021308.db2.gz NQDOVKYVSBZNTO-AZUAARDMSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717773 460021315 /nfs/dbraw/zinc/02/13/15/460021315.db2.gz NQDOVKYVSBZNTO-AZUAARDMSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)C[C@@H]1C ZINC000621717773 460021322 /nfs/dbraw/zinc/02/13/22/460021322.db2.gz NQDOVKYVSBZNTO-AZUAARDMSA-N 2 2 340.515 3.430 10 0 EGAELP Cn1ccnc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000575894832 460029740 /nfs/dbraw/zinc/02/97/40/460029740.db2.gz XEPANPYKNZVMKT-KRWDZBQOSA-N 2 2 343.862 3.429 10 0 EGAELP CC(=O)N1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000621761535 460054664 /nfs/dbraw/zinc/05/46/64/460054664.db2.gz HNEXYLFVLSOJIF-TVPLGVNVSA-N 2 2 327.472 3.091 10 0 EGAELP C[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000598965092 460107179 /nfs/dbraw/zinc/10/71/79/460107179.db2.gz VBOFMXRFCRIDPA-ZDUSSCGKSA-N 2 2 335.473 3.326 10 0 EGAELP Cc1ccc2sc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)nc2c1 ZINC000625563479 460206386 /nfs/dbraw/zinc/20/63/86/460206386.db2.gz RIZJUFITTCNAKN-HNNXBMFYSA-N 2 2 333.501 3.147 10 0 EGAELP Cc1ccc2sc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)nc2c1 ZINC000625563479 460206397 /nfs/dbraw/zinc/20/63/97/460206397.db2.gz RIZJUFITTCNAKN-HNNXBMFYSA-N 2 2 333.501 3.147 10 0 EGAELP c1cn(CC[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)c[nH+]1 ZINC000625661398 460232844 /nfs/dbraw/zinc/23/28/44/460232844.db2.gz TYTMCZAEASDIAX-UHFFFAOYSA-N 2 2 343.475 3.269 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000626089307 460367214 /nfs/dbraw/zinc/36/72/14/460367214.db2.gz KRENOALMSLOUKT-UHFFFAOYSA-N 2 2 344.499 3.305 10 0 EGAELP C[NH+](C)CCC[NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000623336216 460494915 /nfs/dbraw/zinc/49/49/15/460494915.db2.gz CJJPOGOMPLOEAQ-UHFFFAOYSA-N 2 2 342.418 3.307 10 0 EGAELP c1[nH+]cn2c1c(N1CCCC[C@H]([NH+]3CCCC3)C1)nc1ccccc12 ZINC000623954857 460795120 /nfs/dbraw/zinc/79/51/20/460795120.db2.gz BVSYTAIWCIOWOI-INIZCTEOSA-N 2 2 335.455 3.337 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000629525938 460796174 /nfs/dbraw/zinc/79/61/74/460796174.db2.gz HAWXCXLLWRRJKG-RRFJBIMHSA-N 2 2 339.277 3.393 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629536921 460799745 /nfs/dbraw/zinc/79/97/45/460799745.db2.gz GWADAPUXSBOSHP-QSFXBCCZSA-N 2 2 325.456 3.104 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534634 460799882 /nfs/dbraw/zinc/79/98/82/460799882.db2.gz AUDRUSHPQZMPDG-UPJWGTAASA-N 2 2 343.393 3.153 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629546629 460803288 /nfs/dbraw/zinc/80/32/88/460803288.db2.gz UXCZZWKMLNAIRQ-AEAUEXCSSA-N 2 2 339.277 3.009 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991964 460813897 /nfs/dbraw/zinc/81/38/97/460813897.db2.gz XFLQPQMHIVSXQL-JSGCOSHPSA-N 2 2 348.384 3.342 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991964 460813901 /nfs/dbraw/zinc/81/39/01/460813901.db2.gz XFLQPQMHIVSXQL-JSGCOSHPSA-N 2 2 348.384 3.342 10 0 EGAELP CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635511371 460816148 /nfs/dbraw/zinc/81/61/48/460816148.db2.gz LCOZUMOIYPCKJT-HZPDHXFCSA-N 2 2 346.519 3.451 10 0 EGAELP CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635511371 460816152 /nfs/dbraw/zinc/81/61/52/460816152.db2.gz LCOZUMOIYPCKJT-HZPDHXFCSA-N 2 2 346.519 3.451 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCc3scnc32)[C@H](c2ccccc2)C1 ZINC000624006106 460818020 /nfs/dbraw/zinc/81/80/20/460818020.db2.gz MAFDBUYPIJORFR-IKGGRYGDSA-N 2 2 327.497 3.456 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCc3scnc32)[C@H](c2ccccc2)C1 ZINC000624006106 460818023 /nfs/dbraw/zinc/81/80/23/460818023.db2.gz MAFDBUYPIJORFR-IKGGRYGDSA-N 2 2 327.497 3.456 10 0 EGAELP C[N@@H+]1CCCC12CCN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)CC2 ZINC000624082060 460851036 /nfs/dbraw/zinc/85/10/36/460851036.db2.gz KPIJGXGZQTWTBL-UHFFFAOYSA-N 2 2 349.482 3.061 10 0 EGAELP C[N@H+]1CCCC12CCN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)CC2 ZINC000624082060 460851042 /nfs/dbraw/zinc/85/10/42/460851042.db2.gz KPIJGXGZQTWTBL-UHFFFAOYSA-N 2 2 349.482 3.061 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000629667177 460857345 /nfs/dbraw/zinc/85/73/45/460857345.db2.gz SKKFLTSPYSLESE-IYBDPMFKSA-N 2 2 346.368 3.198 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000629667177 460857352 /nfs/dbraw/zinc/85/73/52/460857352.db2.gz SKKFLTSPYSLESE-IYBDPMFKSA-N 2 2 346.368 3.198 10 0 EGAELP COc1ccc(-c2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000607739287 460895516 /nfs/dbraw/zinc/89/55/16/460895516.db2.gz ZEBPMAOWFPBKRZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000607739287 460895522 /nfs/dbraw/zinc/89/55/22/460895522.db2.gz ZEBPMAOWFPBKRZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000607739287 460895526 /nfs/dbraw/zinc/89/55/26/460895526.db2.gz ZEBPMAOWFPBKRZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000607739287 460895531 /nfs/dbraw/zinc/89/55/31/460895531.db2.gz ZEBPMAOWFPBKRZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000646146935 461104972 /nfs/dbraw/zinc/10/49/72/461104972.db2.gz LPUUGDCRNYRZCE-MRXNPFEDSA-N 2 2 337.826 3.448 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000646146935 461104979 /nfs/dbraw/zinc/10/49/79/461104979.db2.gz LPUUGDCRNYRZCE-MRXNPFEDSA-N 2 2 337.826 3.448 10 0 EGAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649566182 461180031 /nfs/dbraw/zinc/18/00/31/461180031.db2.gz DTIRTUZDKGQZSI-WMQCIHAUSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649566182 461180037 /nfs/dbraw/zinc/18/00/37/461180037.db2.gz DTIRTUZDKGQZSI-WMQCIHAUSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649566182 461180042 /nfs/dbraw/zinc/18/00/42/461180042.db2.gz DTIRTUZDKGQZSI-WMQCIHAUSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000649566182 461180049 /nfs/dbraw/zinc/18/00/49/461180049.db2.gz DTIRTUZDKGQZSI-WMQCIHAUSA-N 2 2 344.547 3.017 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000662321088 461190980 /nfs/dbraw/zinc/19/09/80/461190980.db2.gz GSCGFUXVMILLMC-INIZCTEOSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000662321088 461190987 /nfs/dbraw/zinc/19/09/87/461190987.db2.gz GSCGFUXVMILLMC-INIZCTEOSA-N 2 2 347.890 3.431 10 0 EGAELP c1cn([C@H]2CCC[N@@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)c[nH+]1 ZINC000638017443 461199716 /nfs/dbraw/zinc/19/97/16/461199716.db2.gz HFDHHQUJKVTYPL-SFHVURJKSA-N 2 2 348.454 3.178 10 0 EGAELP c1cn([C@H]2CCC[N@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)c[nH+]1 ZINC000638017443 461199722 /nfs/dbraw/zinc/19/97/22/461199722.db2.gz HFDHHQUJKVTYPL-SFHVURJKSA-N 2 2 348.454 3.178 10 0 EGAELP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1OCc1ccccc1 ZINC000668537713 461318591 /nfs/dbraw/zinc/31/85/91/461318591.db2.gz LVPIZHUXIHNVPX-UHFFFAOYSA-N 2 2 340.467 3.268 10 0 EGAELP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1OCc1ccccc1 ZINC000668537713 461318606 /nfs/dbraw/zinc/31/86/06/461318606.db2.gz LVPIZHUXIHNVPX-UHFFFAOYSA-N 2 2 340.467 3.268 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(N[C@H]3CCCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000655744878 461412016 /nfs/dbraw/zinc/41/20/16/461412016.db2.gz WFQGEJZWHJGHDY-FCEWJHQRSA-N 2 2 340.471 3.439 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(N[C@H]3CCCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000655744878 461412022 /nfs/dbraw/zinc/41/20/22/461412022.db2.gz WFQGEJZWHJGHDY-FCEWJHQRSA-N 2 2 340.471 3.439 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759505 461424076 /nfs/dbraw/zinc/42/40/76/461424076.db2.gz OHFRRQAIXOKUQS-NZSAHSFTSA-N 2 2 334.529 3.151 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759505 461424085 /nfs/dbraw/zinc/42/40/85/461424085.db2.gz OHFRRQAIXOKUQS-NZSAHSFTSA-N 2 2 334.529 3.151 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CCO1 ZINC000668785516 461433236 /nfs/dbraw/zinc/43/32/36/461433236.db2.gz QZYPWFDPXZOAHZ-OAHLLOKOSA-N 2 2 337.851 3.024 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CCO1 ZINC000668785516 461433249 /nfs/dbraw/zinc/43/32/49/461433249.db2.gz QZYPWFDPXZOAHZ-OAHLLOKOSA-N 2 2 337.851 3.024 10 0 EGAELP C[N@@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC000642207716 461469860 /nfs/dbraw/zinc/46/98/60/461469860.db2.gz CPIJTJATVXSBBX-LRDDRELGSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC000642207716 461469868 /nfs/dbraw/zinc/46/98/68/461469868.db2.gz CPIJTJATVXSBBX-LRDDRELGSA-N 2 2 339.418 3.171 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000631084856 461535277 /nfs/dbraw/zinc/53/52/77/461535277.db2.gz POICJDDFXUHQRR-IBGZPJMESA-N 2 2 349.482 3.106 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC000647248514 461589420 /nfs/dbraw/zinc/58/94/20/461589420.db2.gz DWKRFNDAIFOLSY-IRLDBZIGSA-N 3 2 346.478 3.307 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC000647248514 461589427 /nfs/dbraw/zinc/58/94/27/461589427.db2.gz DWKRFNDAIFOLSY-IRLDBZIGSA-N 3 2 346.478 3.307 10 0 EGAELP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000631172777 461612263 /nfs/dbraw/zinc/61/22/63/461612263.db2.gz RVTDVIFNBJFDFD-KRWDZBQOSA-N 2 2 331.504 3.126 10 0 EGAELP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000631172777 461612273 /nfs/dbraw/zinc/61/22/73/461612273.db2.gz RVTDVIFNBJFDFD-KRWDZBQOSA-N 2 2 331.504 3.126 10 0 EGAELP Cc1cc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)cc(N2CCCC2)[nH+]1 ZINC000631276890 461687916 /nfs/dbraw/zinc/68/79/16/461687916.db2.gz AJPRAIQXFIXBSO-UHFFFAOYSA-N 2 2 348.454 3.173 10 0 EGAELP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000653777339 461851954 /nfs/dbraw/zinc/85/19/54/461851954.db2.gz ZWEBYUOPYCIRJV-INIZCTEOSA-N 2 2 337.826 3.219 10 0 EGAELP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000653777339 461851957 /nfs/dbraw/zinc/85/19/57/461851957.db2.gz ZWEBYUOPYCIRJV-INIZCTEOSA-N 2 2 337.826 3.219 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902032 461877025 /nfs/dbraw/zinc/87/70/25/461877025.db2.gz ZAFSQIQVKDRXMT-HDMKZQKVSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902032 461877029 /nfs/dbraw/zinc/87/70/29/461877029.db2.gz ZAFSQIQVKDRXMT-HDMKZQKVSA-N 2 2 349.906 3.439 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901214 461877128 /nfs/dbraw/zinc/87/71/28/461877128.db2.gz LAMKZRMGBGLFRX-VQIMIIECSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901214 461877133 /nfs/dbraw/zinc/87/71/33/461877133.db2.gz LAMKZRMGBGLFRX-VQIMIIECSA-N 2 2 341.455 3.314 10 0 EGAELP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901002 461877434 /nfs/dbraw/zinc/87/74/34/461877434.db2.gz INNSGRSDNUYPEL-MKQGEQSTSA-N 2 2 347.547 3.020 10 0 EGAELP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901002 461877443 /nfs/dbraw/zinc/87/74/43/461877443.db2.gz INNSGRSDNUYPEL-MKQGEQSTSA-N 2 2 347.547 3.020 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904073 461878442 /nfs/dbraw/zinc/87/84/42/461878442.db2.gz WDVBLUOTFRYNMT-KBXCAEBGSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904073 461878445 /nfs/dbraw/zinc/87/84/45/461878445.db2.gz WDVBLUOTFRYNMT-KBXCAEBGSA-N 2 2 346.425 3.115 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789435 461900107 /nfs/dbraw/zinc/90/01/07/461900107.db2.gz ZEGHURQLLRJIBT-FGZHOGPDSA-N 2 2 346.478 3.416 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010070 461939142 /nfs/dbraw/zinc/93/91/42/461939142.db2.gz JPXRJEPJUMQBPH-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010070 461939150 /nfs/dbraw/zinc/93/91/50/461939150.db2.gz JPXRJEPJUMQBPH-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010070 461939157 /nfs/dbraw/zinc/93/91/57/461939157.db2.gz JPXRJEPJUMQBPH-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010070 461939162 /nfs/dbraw/zinc/93/91/62/461939162.db2.gz JPXRJEPJUMQBPH-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657326105 462048585 /nfs/dbraw/zinc/04/85/85/462048585.db2.gz TTZNCJVMJHCSFI-IRXDYDNUSA-N 2 2 341.503 3.113 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000657417494 462109754 /nfs/dbraw/zinc/10/97/54/462109754.db2.gz NZXJLLPEIIWFFR-WMZOPIPTSA-N 2 2 348.853 3.157 10 0 EGAELP C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657430053 462118056 /nfs/dbraw/zinc/11/80/56/462118056.db2.gz LLRJZUISXDNTRJ-FUHWJXTLSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657430053 462118057 /nfs/dbraw/zinc/11/80/57/462118057.db2.gz LLRJZUISXDNTRJ-FUHWJXTLSA-N 2 2 339.487 3.003 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657522905 462166004 /nfs/dbraw/zinc/16/60/04/462166004.db2.gz FRSWGEXQRBSMJS-SFHVURJKSA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522905 462166007 /nfs/dbraw/zinc/16/60/07/462166007.db2.gz FRSWGEXQRBSMJS-SFHVURJKSA-N 2 2 326.488 3.452 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC(F)F ZINC000657525524 462167238 /nfs/dbraw/zinc/16/72/38/462167238.db2.gz YFMNPHKEIPNBMM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC(F)F ZINC000657525524 462167244 /nfs/dbraw/zinc/16/72/44/462167244.db2.gz YFMNPHKEIPNBMM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000657708624 462238558 /nfs/dbraw/zinc/23/85/58/462238558.db2.gz MMVOZENAXUWNFV-ZWKOTPCHSA-N 2 2 334.891 3.198 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000657815766 462281331 /nfs/dbraw/zinc/28/13/31/462281331.db2.gz ILCVLJLLCMMEPA-NHCUHLMSSA-N 2 2 346.515 3.245 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053447 462358503 /nfs/dbraw/zinc/35/85/03/462358503.db2.gz AZEAHDWHSOFINL-BBRMVZONSA-N 2 2 333.476 3.177 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053447 462358508 /nfs/dbraw/zinc/35/85/08/462358508.db2.gz AZEAHDWHSOFINL-BBRMVZONSA-N 2 2 333.476 3.177 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057644 462361359 /nfs/dbraw/zinc/36/13/59/462361359.db2.gz PMPVEHHDXYWGGM-VQIMIIECSA-N 2 2 326.488 3.455 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057644 462361365 /nfs/dbraw/zinc/36/13/65/462361365.db2.gz PMPVEHHDXYWGGM-VQIMIIECSA-N 2 2 326.488 3.455 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277339 462381282 /nfs/dbraw/zinc/38/12/82/462381282.db2.gz ZHHUWMQJGAIVRC-HOJAQTOUSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277339 462381287 /nfs/dbraw/zinc/38/12/87/462381287.db2.gz ZHHUWMQJGAIVRC-HOJAQTOUSA-N 3 2 327.516 3.019 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(CC2CC2)n1 ZINC000668104861 462422091 /nfs/dbraw/zinc/42/20/91/462422091.db2.gz PLJLZSIXTBJIJQ-KRWDZBQOSA-N 2 2 339.487 3.206 10 0 EGAELP c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(CC2CC2)n1 ZINC000668104861 462422098 /nfs/dbraw/zinc/42/20/98/462422098.db2.gz PLJLZSIXTBJIJQ-KRWDZBQOSA-N 2 2 339.487 3.206 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661828777 462429193 /nfs/dbraw/zinc/42/91/93/462429193.db2.gz WDABKZLHYTVZGE-RTBURBONSA-N 2 2 327.472 3.408 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658294833 462461860 /nfs/dbraw/zinc/46/18/60/462461860.db2.gz PPCBBXNTDZKTFS-MJGOQNOKSA-N 2 2 330.472 3.052 10 0 EGAELP C[C@@H]1[C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000673701413 548599591 /nfs/dbraw/zinc/59/95/91/548599591.db2.gz JTFZBMGIRUDCFM-OXQOHEQNSA-N 2 2 347.466 3.224 10 0 EGAELP C[C@@H]1[C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000673701413 548599594 /nfs/dbraw/zinc/59/95/94/548599594.db2.gz JTFZBMGIRUDCFM-OXQOHEQNSA-N 2 2 347.466 3.224 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000675929838 549006611 /nfs/dbraw/zinc/00/66/11/549006611.db2.gz CEECLDUVCOBYDT-UHFFFAOYSA-N 2 2 326.488 3.088 10 0 EGAELP CC(C)C[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000675929790 549006966 /nfs/dbraw/zinc/00/69/66/549006966.db2.gz ALTQMEITGYLBHL-UHFFFAOYSA-N 2 2 340.515 3.336 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c(C)o1 ZINC000677697127 549313496 /nfs/dbraw/zinc/31/34/96/549313496.db2.gz PWMOCIDHPGGOTQ-ZDUSSCGKSA-N 2 2 327.388 3.049 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c(C)o1 ZINC000677697127 549313497 /nfs/dbraw/zinc/31/34/97/549313497.db2.gz PWMOCIDHPGGOTQ-ZDUSSCGKSA-N 2 2 327.388 3.049 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000680346284 549853037 /nfs/dbraw/zinc/85/30/37/549853037.db2.gz IRRYEHFVHQUNEP-RDJZCZTQSA-N 2 2 344.421 3.334 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000680346284 549853038 /nfs/dbraw/zinc/85/30/38/549853038.db2.gz IRRYEHFVHQUNEP-RDJZCZTQSA-N 2 2 344.421 3.334 10 0 EGAELP c1cn([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000680986217 549937571 /nfs/dbraw/zinc/93/75/71/549937571.db2.gz ZWDYEAOVCDZCCD-HNNXBMFYSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000680986217 549937573 /nfs/dbraw/zinc/93/75/73/549937573.db2.gz ZWDYEAOVCDZCCD-HNNXBMFYSA-N 2 2 325.441 3.239 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000683022506 550179084 /nfs/dbraw/zinc/17/90/84/550179084.db2.gz JCHFOAZLTRFULY-LAUBAEHRSA-N 2 2 335.451 3.435 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](C)CC1 ZINC000684557705 550343047 /nfs/dbraw/zinc/34/30/47/550343047.db2.gz CMEUZRPKIBMWJN-IGEOTXOUSA-N 3 2 347.469 3.112 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000685462828 550420348 /nfs/dbraw/zinc/42/03/48/550420348.db2.gz OJPIWFFXZHTZOU-UHFFFAOYSA-N 2 2 329.423 3.145 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000685462828 550420350 /nfs/dbraw/zinc/42/03/50/550420350.db2.gz OJPIWFFXZHTZOU-UHFFFAOYSA-N 2 2 329.423 3.145 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC(C)C ZINC000067693893 1292168509 /nfs/dbraw/zinc/16/85/09/1292168509.db2.gz HJKSKPHDLPCFGR-ZWKOTPCHSA-N 2 2 332.488 3.446 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC(C)C ZINC000067693893 1292168513 /nfs/dbraw/zinc/16/85/13/1292168513.db2.gz HJKSKPHDLPCFGR-ZWKOTPCHSA-N 2 2 332.488 3.446 10 0 EGAELP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872039419 1296689783 /nfs/dbraw/zinc/68/97/83/1296689783.db2.gz SGQILOPQAXZSAU-QYZOEREBSA-N 2 2 327.472 3.499 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385888447 1297586926 /nfs/dbraw/zinc/58/69/26/1297586926.db2.gz CWIWSLOEFIEPOM-HSALFYBXSA-N 2 2 344.499 3.172 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385888447 1297586933 /nfs/dbraw/zinc/58/69/33/1297586933.db2.gz CWIWSLOEFIEPOM-HSALFYBXSA-N 2 2 344.499 3.172 10 0 EGAELP CCC[C@H](C(=O)OCC)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385888447 1297586940 /nfs/dbraw/zinc/58/69/40/1297586940.db2.gz CWIWSLOEFIEPOM-HSALFYBXSA-N 2 2 344.499 3.172 10 0 EGAELP CCC[C@H](C(=O)OCC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385888447 1297586945 /nfs/dbraw/zinc/58/69/45/1297586945.db2.gz CWIWSLOEFIEPOM-HSALFYBXSA-N 2 2 344.499 3.172 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632370 /nfs/dbraw/zinc/63/23/70/1297632370.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632375 /nfs/dbraw/zinc/63/23/75/1297632375.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632383 /nfs/dbraw/zinc/63/23/83/1297632383.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632388 /nfs/dbraw/zinc/63/23/88/1297632388.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632394 /nfs/dbraw/zinc/63/23/94/1297632394.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 2 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632399 /nfs/dbraw/zinc/63/23/99/1297632399.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632405 /nfs/dbraw/zinc/63/24/05/1297632405.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632410 /nfs/dbraw/zinc/63/24/10/1297632410.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 2 2 329.532 3.361 10 0 EGAELP Cc1noc2ncc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)cc12 ZINC000894308892 1306334594 /nfs/dbraw/zinc/33/45/94/1306334594.db2.gz WFURPNRXDBBIHD-SFHVURJKSA-N 2 2 347.422 3.338 10 0 EGAELP Cn1c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)nc2ccccc21 ZINC000895110869 1309194695 /nfs/dbraw/zinc/19/46/95/1309194695.db2.gz BEGVYSIZIFRMFN-WKILWMFISA-N 2 2 335.455 3.245 10 0 EGAELP COc1cncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC000895115330 1309196921 /nfs/dbraw/zinc/19/69/21/1309196921.db2.gz PABLFPHIBPHWKM-QAQDUYKDSA-N 2 2 326.444 3.070 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556893 1309400242 /nfs/dbraw/zinc/40/02/42/1309400242.db2.gz MKGHFPXFULOWMN-PBHICJAKSA-N 2 2 344.484 3.100 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556893 1309400247 /nfs/dbraw/zinc/40/02/47/1309400247.db2.gz MKGHFPXFULOWMN-PBHICJAKSA-N 2 2 344.484 3.100 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3ccns3)cc2)C[C@H](C)O1 ZINC000895740355 1309498734 /nfs/dbraw/zinc/49/87/34/1309498734.db2.gz RYFCGEKOGGZGRH-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccns3)cc2)C[C@H](C)O1 ZINC000895740355 1309498739 /nfs/dbraw/zinc/49/87/39/1309498739.db2.gz RYFCGEKOGGZGRH-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccns3)cc2)C[C@H](C)O1 ZINC000895740355 1309498742 /nfs/dbraw/zinc/49/87/42/1309498742.db2.gz RYFCGEKOGGZGRH-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccns3)cc2)C[C@H](C)O1 ZINC000895740355 1309498747 /nfs/dbraw/zinc/49/87/47/1309498747.db2.gz RYFCGEKOGGZGRH-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c[nH+]1 ZINC000897692052 1310435547 /nfs/dbraw/zinc/43/55/47/1310435547.db2.gz SMDRMVKZQTYQQC-SJLPKXTDSA-N 2 2 342.487 3.043 10 0 EGAELP CCC1([NH+]2CCCCC2)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000899204927 1310979028 /nfs/dbraw/zinc/97/90/28/1310979028.db2.gz ISGZXYOBNCEROJ-UHFFFAOYSA-N 2 2 346.519 3.184 10 0 EGAELP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929656068 1328659205 /nfs/dbraw/zinc/65/92/05/1328659205.db2.gz CBGWCQRIOXRYLH-LJQANCHMSA-N 2 2 338.536 3.037 10 0 EGAELP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929656068 1328659206 /nfs/dbraw/zinc/65/92/06/1328659206.db2.gz CBGWCQRIOXRYLH-LJQANCHMSA-N 2 2 338.536 3.037 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699465 /nfs/dbraw/zinc/69/94/65/1328699465.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699469 /nfs/dbraw/zinc/69/94/69/1328699469.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699475 /nfs/dbraw/zinc/69/94/75/1328699475.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699480 /nfs/dbraw/zinc/69/94/80/1328699480.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000922865171 1322634880 /nfs/dbraw/zinc/63/48/80/1322634880.db2.gz VNMUTJBESYSGKH-CHWSQXEVSA-N 2 2 343.456 3.305 10 0 EGAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)ccc1-n1cc[nH+]c1 ZINC000922893245 1322643340 /nfs/dbraw/zinc/64/33/40/1322643340.db2.gz TVBOVDLAUPYLCE-VQIMIIECSA-N 2 2 329.419 3.306 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c[nH+]1 ZINC000924625148 1323081275 /nfs/dbraw/zinc/08/12/75/1323081275.db2.gz NODHOSUGLGXFTO-WOJBJXKFSA-N 2 2 325.456 3.226 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccns1 ZINC000924775805 1323155763 /nfs/dbraw/zinc/15/57/63/1323155763.db2.gz ISYICXJXZKFWRP-LSDHHAIUSA-N 2 2 331.485 3.215 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccns1 ZINC000924775805 1323155771 /nfs/dbraw/zinc/15/57/71/1323155771.db2.gz ISYICXJXZKFWRP-LSDHHAIUSA-N 2 2 331.485 3.215 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)n(C)n1 ZINC000924853111 1323187998 /nfs/dbraw/zinc/18/79/98/1323187998.db2.gz YCFCZQAGPIMPKT-HBFSDRIKSA-N 2 2 332.536 3.150 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc2ccccc21 ZINC000924964125 1323230576 /nfs/dbraw/zinc/23/05/76/1323230576.db2.gz IZDMBJXLEJDJDW-ZYSHUDEJSA-N 2 2 340.467 3.362 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc2ccccc21 ZINC000924964125 1323230580 /nfs/dbraw/zinc/23/05/80/1323230580.db2.gz IZDMBJXLEJDJDW-ZYSHUDEJSA-N 2 2 340.467 3.362 10 0 EGAELP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([N@@H+]3CCCOCC3)CC1)CCC2 ZINC000931286005 1329086398 /nfs/dbraw/zinc/08/63/98/1329086398.db2.gz GVIHQWXDGQPLIN-FQEVSTJZSA-N 2 2 332.463 3.390 10 0 EGAELP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([N@H+]3CCCOCC3)CC1)CCC2 ZINC000931286005 1329086400 /nfs/dbraw/zinc/08/64/00/1329086400.db2.gz GVIHQWXDGQPLIN-FQEVSTJZSA-N 2 2 332.463 3.390 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1-c1ccccn1 ZINC000925444800 1325153069 /nfs/dbraw/zinc/15/30/69/1325153069.db2.gz WWSLAQPVIPFXNO-SJLPKXTDSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1-c1ccccn1 ZINC000925444800 1325153076 /nfs/dbraw/zinc/15/30/76/1325153076.db2.gz WWSLAQPVIPFXNO-SJLPKXTDSA-N 2 2 342.512 3.354 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925544410 1325200075 /nfs/dbraw/zinc/20/00/75/1325200075.db2.gz QYVRVTIIJQGBQH-QHAWAJNXSA-N 3 2 341.543 3.060 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925565305 1325211601 /nfs/dbraw/zinc/21/16/01/1325211601.db2.gz ZTLKQKVEBCXNJE-HKBOAZHASA-N 3 2 341.543 3.326 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608430 1325229959 /nfs/dbraw/zinc/22/99/59/1325229959.db2.gz XQPXDNLIJAKEGN-SZVBFZGTSA-N 3 2 330.520 3.103 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H](O)c1c(Cl)cccc1Cl ZINC000925619298 1325233276 /nfs/dbraw/zinc/23/32/76/1325233276.db2.gz MIIXQNWWUGPNDR-ZBINZKHDSA-N 2 2 329.271 3.290 10 0 EGAELP COc1ccccc1-c1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)on1 ZINC000925718106 1325268366 /nfs/dbraw/zinc/26/83/66/1325268366.db2.gz WNPLHATXXVXCQD-MNEFBYGVSA-N 2 2 341.455 3.216 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925718409 1325268464 /nfs/dbraw/zinc/26/84/64/1325268464.db2.gz IICHQPZMWDXZCC-ORYQWCPZSA-N 2 2 349.478 3.114 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766086 1325290630 /nfs/dbraw/zinc/29/06/30/1325290630.db2.gz GKGDZILFQYGUGG-DZFGPLHGSA-N 2 2 336.483 3.054 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766086 1325290638 /nfs/dbraw/zinc/29/06/38/1325290638.db2.gz GKGDZILFQYGUGG-DZFGPLHGSA-N 2 2 336.483 3.054 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)S4)[nH+]c2)C1 ZINC000925935798 1325363400 /nfs/dbraw/zinc/36/34/00/1325363400.db2.gz IJGUPTQZBFGERF-ZCJOQKPTSA-N 2 2 332.517 3.060 10 0 EGAELP C[C@@H](Cc1ccccn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332294 1325518081 /nfs/dbraw/zinc/51/80/81/1325518081.db2.gz WAFIYDQSXMONDW-IGEOTXOUSA-N 2 2 341.421 3.408 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)C[NH+](C)C ZINC000926960912 1327799179 /nfs/dbraw/zinc/79/91/79/1327799179.db2.gz HPZVRCPUIXPIJB-IUODEOHRSA-N 2 2 329.282 3.066 10 0 EGAELP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926961243 1327798788 /nfs/dbraw/zinc/79/87/88/1327798788.db2.gz XQHJLPKLNKHINK-CZUORRHYSA-N 2 2 340.393 3.406 10 0 EGAELP O[C@@H]1CC[NH2+][C@@H]1c1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc1 ZINC000863712841 1329576447 /nfs/dbraw/zinc/57/64/47/1329576447.db2.gz ANUOXJDIUUZDAR-WOJBJXKFSA-N 2 2 337.398 3.133 10 0 EGAELP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccn1 ZINC000866266842 1330087977 /nfs/dbraw/zinc/08/79/77/1330087977.db2.gz SDXKRWDRAJBRPJ-RTBURBONSA-N 2 2 331.504 3.464 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000866703245 1330142432 /nfs/dbraw/zinc/14/24/32/1330142432.db2.gz HHUYINUQOWDZRX-GOSISDBHSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000866703245 1330142433 /nfs/dbraw/zinc/14/24/33/1330142433.db2.gz HHUYINUQOWDZRX-GOSISDBHSA-N 2 2 332.423 3.073 10 0 EGAELP Cc1nc(N[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(C)c(C)[nH+]1 ZINC000952867889 1334583685 /nfs/dbraw/zinc/58/36/85/1334583685.db2.gz VJBJEQAJQGRQPV-KRWDZBQOSA-N 2 2 326.444 3.184 10 0 EGAELP Cc1nc(N[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(C)c(C)[nH+]1 ZINC000952867889 1334583689 /nfs/dbraw/zinc/58/36/89/1334583689.db2.gz VJBJEQAJQGRQPV-KRWDZBQOSA-N 2 2 326.444 3.184 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323224212 1387313181 /nfs/dbraw/zinc/31/31/81/1387313181.db2.gz BQJNBDXDSJKLEM-KRWDZBQOSA-N 2 2 328.460 3.027 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323224212 1387313182 /nfs/dbraw/zinc/31/31/82/1387313182.db2.gz BQJNBDXDSJKLEM-KRWDZBQOSA-N 2 2 328.460 3.027 10 0 EGAELP CC(C)(C)CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001323736874 1387439477 /nfs/dbraw/zinc/43/94/77/1387439477.db2.gz WRCUAQXWWANPBA-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001323736874 1387439478 /nfs/dbraw/zinc/43/94/78/1387439478.db2.gz WRCUAQXWWANPBA-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CCc1cc(NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(CC)[nH+]1 ZINC001187081577 1388048113 /nfs/dbraw/zinc/04/81/13/1388048113.db2.gz NRBPLDJSKXZJNF-QGZVFWFLSA-N 2 2 340.471 3.296 10 0 EGAELP CCc1cc(NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(CC)[nH+]1 ZINC001187081577 1388048115 /nfs/dbraw/zinc/04/81/15/1388048115.db2.gz NRBPLDJSKXZJNF-QGZVFWFLSA-N 2 2 340.471 3.296 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC001203683007 1370217140 /nfs/dbraw/zinc/21/71/40/1370217140.db2.gz PGGIUCJTFXHDBG-PZJWPPBQSA-N 2 2 344.499 3.068 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c(C)o1 ZINC001118320983 1371163824 /nfs/dbraw/zinc/16/38/24/1371163824.db2.gz HJAIMWVDYOTATK-MRXNPFEDSA-N 2 2 343.427 3.155 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c(C)o1 ZINC001118320983 1371163829 /nfs/dbraw/zinc/16/38/29/1371163829.db2.gz HJAIMWVDYOTATK-MRXNPFEDSA-N 2 2 343.427 3.155 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC001326614472 1388259273 /nfs/dbraw/zinc/25/92/73/1388259273.db2.gz OTUFVMMLPCEVNH-SFHVURJKSA-N 2 2 349.482 3.369 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC001326614472 1388259279 /nfs/dbraw/zinc/25/92/79/1388259279.db2.gz OTUFVMMLPCEVNH-SFHVURJKSA-N 2 2 349.482 3.369 10 0 EGAELP CC(C)c1ccc(C[N@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001327277707 1388479775 /nfs/dbraw/zinc/47/97/75/1388479775.db2.gz VSRMXNYNJZLBDX-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP CC(C)c1ccc(C[N@@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001327277707 1388479778 /nfs/dbraw/zinc/47/97/78/1388479778.db2.gz VSRMXNYNJZLBDX-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266102382 1377186287 /nfs/dbraw/zinc/18/62/87/1377186287.db2.gz IZBBJQGPPKGPFB-MRXNPFEDSA-N 2 2 328.460 3.290 10 0 EGAELP CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266102382 1377186290 /nfs/dbraw/zinc/18/62/90/1377186290.db2.gz IZBBJQGPPKGPFB-MRXNPFEDSA-N 2 2 328.460 3.290 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001267207538 1377430357 /nfs/dbraw/zinc/43/03/57/1377430357.db2.gz GBQICOZBEYMUAM-HZPDHXFCSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001267207538 1377430358 /nfs/dbraw/zinc/43/03/58/1377430358.db2.gz GBQICOZBEYMUAM-HZPDHXFCSA-N 2 2 348.535 3.241 10 0 EGAELP CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001327467268 1388527718 /nfs/dbraw/zinc/52/77/18/1388527718.db2.gz KWPWQSIBOHSHGV-GOSISDBHSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CCCC3)CCC2)c(C)[nH+]1 ZINC001273130016 1378088499 /nfs/dbraw/zinc/08/84/99/1378088499.db2.gz XRBTWGAQTRPABY-UHFFFAOYSA-N 2 2 329.488 3.439 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058507 1379411114 /nfs/dbraw/zinc/41/11/14/1379411114.db2.gz QQYNKBDSHVBBEO-LJGXYGFNSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058507 1379411116 /nfs/dbraw/zinc/41/11/16/1379411116.db2.gz QQYNKBDSHVBBEO-LJGXYGFNSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058503 1379411350 /nfs/dbraw/zinc/41/13/50/1379411350.db2.gz QQYNKBDSHVBBEO-CDDIUSEKSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058503 1379411352 /nfs/dbraw/zinc/41/13/52/1379411352.db2.gz QQYNKBDSHVBBEO-CDDIUSEKSA-N 2 2 344.503 3.133 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001284199286 1379593213 /nfs/dbraw/zinc/59/32/13/1379593213.db2.gz VSIBXGPDCLGIRL-QZTJIDSGSA-N 2 2 329.488 3.295 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001284293906 1379682415 /nfs/dbraw/zinc/68/24/15/1379682415.db2.gz UQDALKXVEHMIQM-QGZVFWFLSA-N 2 2 348.535 3.189 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001328464542 1388752654 /nfs/dbraw/zinc/75/26/54/1388752654.db2.gz PNUQWOAQJGADKT-IRXDYDNUSA-N 2 2 342.487 3.252 10 0 EGAELP CC1=C(C)C[C@@](C)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001302318205 1383747684 /nfs/dbraw/zinc/74/76/84/1383747684.db2.gz KTHAEXINLOAJMZ-FQEVSTJZSA-N 2 2 342.487 3.299 10 0 EGAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CCC[NH2+]CCF ZINC001316712468 1384534318 /nfs/dbraw/zinc/53/43/18/1384534318.db2.gz LRLQHZKQBWYNAO-RDTXWAMCSA-N 2 2 346.450 3.143 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001316742189 1384555759 /nfs/dbraw/zinc/55/57/59/1384555759.db2.gz LNCYLRLIBRCJJU-HTQCAWFGSA-N 2 2 349.906 3.011 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C/C=C/Cl ZINC001316742189 1384555761 /nfs/dbraw/zinc/55/57/61/1384555761.db2.gz LNCYLRLIBRCJJU-HTQCAWFGSA-N 2 2 349.906 3.011 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001316807486 1384600747 /nfs/dbraw/zinc/60/07/47/1384600747.db2.gz ZTWUCJCCOAMHNC-SFHVURJKSA-N 2 2 348.535 3.102 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001316807486 1384600750 /nfs/dbraw/zinc/60/07/50/1384600750.db2.gz ZTWUCJCCOAMHNC-SFHVURJKSA-N 2 2 348.535 3.102 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317758049 1385447546 /nfs/dbraw/zinc/44/75/46/1385447546.db2.gz CTEBSQMGGWLRTM-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317758049 1385447548 /nfs/dbraw/zinc/44/75/48/1385447548.db2.gz CTEBSQMGGWLRTM-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317758049 1385447552 /nfs/dbraw/zinc/44/75/52/1385447552.db2.gz CTEBSQMGGWLRTM-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317758049 1385447557 /nfs/dbraw/zinc/44/75/57/1385447557.db2.gz CTEBSQMGGWLRTM-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411685 1385678220 /nfs/dbraw/zinc/67/82/20/1385678220.db2.gz DXQRVDCRGBJRBI-RTRPANQVSA-N 2 2 340.471 3.456 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411685 1385678224 /nfs/dbraw/zinc/67/82/24/1385678224.db2.gz DXQRVDCRGBJRBI-RTRPANQVSA-N 2 2 340.471 3.456 10 0 EGAELP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990363 1385765815 /nfs/dbraw/zinc/76/58/15/1385765815.db2.gz HMUCEODYJFCNDO-UXLLHSPISA-N 2 2 335.492 3.405 10 0 EGAELP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990363 1385765820 /nfs/dbraw/zinc/76/58/20/1385765820.db2.gz HMUCEODYJFCNDO-UXLLHSPISA-N 2 2 335.492 3.405 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001319475890 1386137611 /nfs/dbraw/zinc/13/76/11/1386137611.db2.gz MIEHBOBPELMSQM-IRXDYDNUSA-N 2 2 336.524 3.343 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001319851340 1386334622 /nfs/dbraw/zinc/33/46/22/1386334622.db2.gz AHZSNNJXECXGCU-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP CC[C@H](C)C[N@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001319889909 1386366791 /nfs/dbraw/zinc/36/67/91/1386366791.db2.gz ZPCYUFWTBHCIKN-ROUUACIJSA-N 2 2 348.535 3.441 10 0 EGAELP CC[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001319889909 1386366796 /nfs/dbraw/zinc/36/67/96/1386366796.db2.gz ZPCYUFWTBHCIKN-ROUUACIJSA-N 2 2 348.535 3.441 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001320150253 1386536809 /nfs/dbraw/zinc/53/68/09/1386536809.db2.gz JCELDNOXWXISIR-OALUTQOASA-N 2 2 344.503 3.038 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001320150254 1386537081 /nfs/dbraw/zinc/53/70/81/1386537081.db2.gz JCELDNOXWXISIR-RBUKOAKNSA-N 2 2 344.503 3.038 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001322511361 1387198235 /nfs/dbraw/zinc/19/82/35/1387198235.db2.gz FOCBRZWIWXXFOD-MRXNPFEDSA-N 2 2 344.503 3.377 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]CCOC(C)C)CC2)c(C)[nH+]1 ZINC001698710325 1406351594 /nfs/dbraw/zinc/35/15/94/1406351594.db2.gz WQMOURXCJVHCMZ-IYARVYRRSA-N 2 2 347.503 3.062 10 0 EGAELP CCCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001329256659 1389037980 /nfs/dbraw/zinc/03/79/80/1389037980.db2.gz JKHNCIYPXNMQEA-UHFFFAOYSA-N 2 2 334.508 3.237 10 0 EGAELP CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001329557688 1389155450 /nfs/dbraw/zinc/15/54/50/1389155450.db2.gz DMOXEVTYAFIZED-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001329557688 1389155453 /nfs/dbraw/zinc/15/54/53/1389155453.db2.gz DMOXEVTYAFIZED-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001329761916 1389220992 /nfs/dbraw/zinc/22/09/92/1389220992.db2.gz RRTHFDFWCZSKHL-TVPLGVNVSA-N 2 2 348.535 3.241 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329924546 1389261040 /nfs/dbraw/zinc/26/10/40/1389261040.db2.gz WWMWFKVGRRNRKD-CJWBSQLSSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329924546 1389261043 /nfs/dbraw/zinc/26/10/43/1389261043.db2.gz WWMWFKVGRRNRKD-CJWBSQLSSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329924546 1389261047 /nfs/dbraw/zinc/26/10/47/1389261047.db2.gz WWMWFKVGRRNRKD-CJWBSQLSSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329924546 1389261048 /nfs/dbraw/zinc/26/10/48/1389261048.db2.gz WWMWFKVGRRNRKD-CJWBSQLSSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240510 1389357389 /nfs/dbraw/zinc/35/73/89/1389357389.db2.gz DCACSKAJHIJPRZ-YQJUVHNHSA-N 2 2 346.519 3.407 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240510 1389357394 /nfs/dbraw/zinc/35/73/94/1389357394.db2.gz DCACSKAJHIJPRZ-YQJUVHNHSA-N 2 2 346.519 3.407 10 0 EGAELP C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001332424953 1390113442 /nfs/dbraw/zinc/11/34/42/1390113442.db2.gz WUUNTZQKNQLOTB-JKSUJKDBSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1noc2ncc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001332690583 1390153514 /nfs/dbraw/zinc/15/35/14/1390153514.db2.gz CRQKLNNZSVCEAS-INIZCTEOSA-N 2 2 337.427 3.311 10 0 EGAELP Cc1noc2ncc(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001332690583 1390153521 /nfs/dbraw/zinc/15/35/21/1390153521.db2.gz CRQKLNNZSVCEAS-INIZCTEOSA-N 2 2 337.427 3.311 10 0 EGAELP CC[C@H](F)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332712026 1390165414 /nfs/dbraw/zinc/16/54/14/1390165414.db2.gz ZFHMBWYXNMSILY-HNNXBMFYSA-N 2 2 334.439 3.093 10 0 EGAELP CC[C@H](F)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332712026 1390165418 /nfs/dbraw/zinc/16/54/18/1390165418.db2.gz ZFHMBWYXNMSILY-HNNXBMFYSA-N 2 2 334.439 3.093 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001334209121 1390499217 /nfs/dbraw/zinc/49/92/17/1390499217.db2.gz XHXZPOKQKHIABA-ZBFHGGJFSA-N 2 2 344.377 3.343 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001698802429 1406479403 /nfs/dbraw/zinc/47/94/03/1406479403.db2.gz HCGRLSGNMDAHPV-MRXNPFEDSA-N 2 2 348.535 3.433 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001698802429 1406479408 /nfs/dbraw/zinc/47/94/08/1406479408.db2.gz HCGRLSGNMDAHPV-MRXNPFEDSA-N 2 2 348.535 3.433 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001479379400 1392229129 /nfs/dbraw/zinc/22/91/29/1392229129.db2.gz JBSQDJYNHMJFKW-QAQDUYKDSA-N 2 2 348.535 3.237 10 0 EGAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479384684 1392230241 /nfs/dbraw/zinc/23/02/41/1392230241.db2.gz ZNJOWZHLZGPXLJ-BQFCYCMXSA-N 2 2 340.471 3.016 10 0 EGAELP Cc1cccc(C)c1C[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479800173 1392399135 /nfs/dbraw/zinc/39/91/35/1392399135.db2.gz TXSPPRLNFDEINC-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479800173 1392399141 /nfs/dbraw/zinc/39/91/41/1392399141.db2.gz TXSPPRLNFDEINC-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001479799613 1392399257 /nfs/dbraw/zinc/39/92/57/1392399257.db2.gz HXFBHEVHXNWXCD-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1ccc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001479799613 1392399261 /nfs/dbraw/zinc/39/92/61/1392399261.db2.gz HXFBHEVHXNWXCD-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479832259 1392418545 /nfs/dbraw/zinc/41/85/45/1392418545.db2.gz RCIAFOLZVVLPDR-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001479835863 1392421149 /nfs/dbraw/zinc/42/11/49/1392421149.db2.gz YHDIFXBEMHOILS-IIFCEKJISA-N 2 2 346.519 3.068 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480264352 1392649045 /nfs/dbraw/zinc/64/90/45/1392649045.db2.gz YOSXPVSRUBZROQ-ROUUACIJSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480264352 1392649046 /nfs/dbraw/zinc/64/90/46/1392649046.db2.gz YOSXPVSRUBZROQ-ROUUACIJSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001480481814 1392765256 /nfs/dbraw/zinc/76/52/56/1392765256.db2.gz XLNFMDJAHHPENL-FUHWJXTLSA-N 2 2 346.519 3.145 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001480694954 1392858455 /nfs/dbraw/zinc/85/84/55/1392858455.db2.gz KDQNEDNOGQACQV-QZTJIDSGSA-N 2 2 348.535 3.380 10 0 EGAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001481260244 1393154527 /nfs/dbraw/zinc/15/45/27/1393154527.db2.gz SZPRRBCNGCLPCS-UHFFFAOYSA-N 2 2 339.483 3.220 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(C)(C)C ZINC001481350987 1393173450 /nfs/dbraw/zinc/17/34/50/1393173450.db2.gz VTNGUNAWMCGZJO-KRWDZBQOSA-N 2 2 348.535 3.098 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(C)(C)C ZINC001481350987 1393173452 /nfs/dbraw/zinc/17/34/52/1393173452.db2.gz VTNGUNAWMCGZJO-KRWDZBQOSA-N 2 2 348.535 3.098 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001698935262 1406674469 /nfs/dbraw/zinc/67/44/69/1406674469.db2.gz PHNRTHNGJPQMFR-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001490774098 1394336553 /nfs/dbraw/zinc/33/65/53/1394336553.db2.gz FUIRQWFKLBHBEQ-ROUUACIJSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001490774098 1394336561 /nfs/dbraw/zinc/33/65/61/1394336561.db2.gz FUIRQWFKLBHBEQ-ROUUACIJSA-N 2 2 334.508 3.195 10 0 EGAELP C[C@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001481965258 1394627235 /nfs/dbraw/zinc/62/72/35/1394627235.db2.gz WHWJYSLQGGLLCH-FXAWDEMLSA-N 2 2 344.503 3.038 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001481990562 1394651149 /nfs/dbraw/zinc/65/11/49/1394651149.db2.gz AYKDUFABOPHLGE-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CCC(C)C)C(C)C)ccn12 ZINC001698960103 1406712746 /nfs/dbraw/zinc/71/27/46/1406712746.db2.gz FMFFSKDUVXEGBH-QGZVFWFLSA-N 2 2 330.476 3.033 10 0 EGAELP CC(C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCC(C)(C)C ZINC001698965241 1406723418 /nfs/dbraw/zinc/72/34/18/1406723418.db2.gz DDZBTZCVPMZUJT-AEFFLSMTSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482450285 1395008859 /nfs/dbraw/zinc/00/88/59/1395008859.db2.gz LPNCVNGOMYENBB-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482450285 1395008862 /nfs/dbraw/zinc/00/88/62/1395008862.db2.gz LPNCVNGOMYENBB-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001482469235 1395024410 /nfs/dbraw/zinc/02/44/10/1395024410.db2.gz BJNCVMBSTCMJHP-IAGOWNOFSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001483917347 1395144677 /nfs/dbraw/zinc/14/46/77/1395144677.db2.gz KJXULJCTAFFNIP-ROUUACIJSA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001484390783 1395359200 /nfs/dbraw/zinc/35/92/00/1395359200.db2.gz FAVGBAFQJRDJFN-REPLKXPHSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001484390783 1395359206 /nfs/dbraw/zinc/35/92/06/1395359206.db2.gz FAVGBAFQJRDJFN-REPLKXPHSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)n1cc[nH+]c1 ZINC001484525234 1395416091 /nfs/dbraw/zinc/41/60/91/1395416091.db2.gz PXLGSWKRDHOYBO-MOPGFXCFSA-N 2 2 346.519 3.099 10 0 EGAELP CC1CCC(C[NH2+]CC(C)(C)CN(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001485254414 1395741001 /nfs/dbraw/zinc/74/10/01/1395741001.db2.gz WDFCJZZSUOVGNY-UHFFFAOYSA-N 2 2 348.535 3.243 10 0 EGAELP CC1CCC(C[NH2+]CC(C)(C)CN(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001485254414 1395741006 /nfs/dbraw/zinc/74/10/06/1395741006.db2.gz WDFCJZZSUOVGNY-UHFFFAOYSA-N 2 2 348.535 3.243 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]CC3CC(C)(C)C3)ccn12 ZINC001503200408 1396247256 /nfs/dbraw/zinc/24/72/56/1396247256.db2.gz JNXBAEDLGVZPAV-AWEZNQCLSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H]1CCc2ccccc21 ZINC001503290892 1396250248 /nfs/dbraw/zinc/25/02/48/1396250248.db2.gz VGEWKAUBBHZEKG-LIRRHRJNSA-N 2 2 348.450 3.348 10 0 EGAELP CCCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001493962779 1396345869 /nfs/dbraw/zinc/34/58/69/1396345869.db2.gz CMLNFSOFKGHRSQ-KRWDZBQOSA-N 2 2 348.535 3.102 10 0 EGAELP CCCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001493962779 1396345873 /nfs/dbraw/zinc/34/58/73/1396345873.db2.gz CMLNFSOFKGHRSQ-KRWDZBQOSA-N 2 2 348.535 3.102 10 0 EGAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001495814125 1396561438 /nfs/dbraw/zinc/56/14/38/1396561438.db2.gz NLELDSBKONPQQD-WWDZGPRUSA-N 2 2 348.535 3.078 10 0 EGAELP COC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001689265160 1396997146 /nfs/dbraw/zinc/99/71/46/1396997146.db2.gz PCMNCUWDCGUJDR-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699025039 1406860794 /nfs/dbraw/zinc/86/07/94/1406860794.db2.gz VISPJKQESWPZRR-HOCLYGCPSA-N 2 2 342.487 3.487 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690191128 1404394490 /nfs/dbraw/zinc/39/44/90/1404394490.db2.gz MRGXFUWWLYEUMA-SFHVURJKSA-N 2 2 348.535 3.287 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690191128 1404394492 /nfs/dbraw/zinc/39/44/92/1404394492.db2.gz MRGXFUWWLYEUMA-SFHVURJKSA-N 2 2 348.535 3.287 10 0 EGAELP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690197081 1404405847 /nfs/dbraw/zinc/40/58/47/1404405847.db2.gz GHYDPCDVRNLOSC-QGZVFWFLSA-N 2 2 334.508 3.011 10 0 EGAELP CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690197081 1404405849 /nfs/dbraw/zinc/40/58/49/1404405849.db2.gz GHYDPCDVRNLOSC-QGZVFWFLSA-N 2 2 334.508 3.011 10 0 EGAELP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001690824467 1404760796 /nfs/dbraw/zinc/76/07/96/1404760796.db2.gz DXWDVMOGGSPVLQ-GHOSXJJBSA-N 2 2 346.519 3.022 10 0 EGAELP CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001690824467 1404760800 /nfs/dbraw/zinc/76/08/00/1404760800.db2.gz DXWDVMOGGSPVLQ-GHOSXJJBSA-N 2 2 346.519 3.022 10 0 EGAELP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001690826369 1404764148 /nfs/dbraw/zinc/76/41/48/1404764148.db2.gz FDWJQWQOVDXYGO-KRWDZBQOSA-N 2 2 334.508 3.022 10 0 EGAELP C[N@@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001690826369 1404764152 /nfs/dbraw/zinc/76/41/52/1404764152.db2.gz FDWJQWQOVDXYGO-KRWDZBQOSA-N 2 2 334.508 3.022 10 0 EGAELP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)(C)C1 ZINC001691033209 1404942370 /nfs/dbraw/zinc/94/23/70/1404942370.db2.gz FNXBLFOROCIPBE-UHFFFAOYSA-N 2 2 331.504 3.495 10 0 EGAELP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)(C)C1 ZINC001691033209 1404942373 /nfs/dbraw/zinc/94/23/73/1404942373.db2.gz FNXBLFOROCIPBE-UHFFFAOYSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691265238 1405184298 /nfs/dbraw/zinc/18/42/98/1405184298.db2.gz UCTOQAQCDOKJCC-ZWKOTPCHSA-N 2 2 346.519 3.106 10 0 EGAELP CC(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001691300182 1405196152 /nfs/dbraw/zinc/19/61/52/1405196152.db2.gz BJXFTNMFSNOPKL-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691506222 1405309254 /nfs/dbraw/zinc/30/92/54/1405309254.db2.gz KEYNLEURZTUFOI-FWUFUSNSSA-N 2 2 340.471 3.407 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001691689924 1405424543 /nfs/dbraw/zinc/42/45/43/1405424543.db2.gz NGDKROZUIHKAIH-QGZVFWFLSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691733637 1405456274 /nfs/dbraw/zinc/45/62/74/1405456274.db2.gz RXXCOGHYSHJIBN-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691786295 1405495244 /nfs/dbraw/zinc/49/52/44/1405495244.db2.gz VBOKCJKOQMJSBQ-PUVHCXQDSA-N 2 2 340.471 3.097 10 0 EGAELP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691965759 1405683040 /nfs/dbraw/zinc/68/30/40/1405683040.db2.gz UFUDLVOPCFFGPY-ZWKOTPCHSA-N 2 2 334.508 3.051 10 0 EGAELP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691965759 1405683036 /nfs/dbraw/zinc/68/30/36/1405683036.db2.gz UFUDLVOPCFFGPY-ZWKOTPCHSA-N 2 2 334.508 3.051 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001692114096 1405778460 /nfs/dbraw/zinc/77/84/60/1405778460.db2.gz FNBJDNAQJQORLB-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001692114096 1405778461 /nfs/dbraw/zinc/77/84/61/1405778461.db2.gz FNBJDNAQJQORLB-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001692275914 1405908752 /nfs/dbraw/zinc/90/87/52/1405908752.db2.gz QSIROJKBWXIMPP-KRWDZBQOSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001692275914 1405908755 /nfs/dbraw/zinc/90/87/55/1405908755.db2.gz QSIROJKBWXIMPP-KRWDZBQOSA-N 2 2 348.535 3.006 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001692334379 1405954543 /nfs/dbraw/zinc/95/45/43/1405954543.db2.gz UGWKPILOYUTLHQ-SHCNBLLESA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001692366749 1405976588 /nfs/dbraw/zinc/97/65/88/1405976588.db2.gz KGTSQDXVJMRVES-CSLAMCDYSA-N 2 2 347.528 3.065 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC(C)(C)C ZINC001732011077 1428225627 /nfs/dbraw/zinc/22/56/27/1428225627.db2.gz RVHIZWPRFFQAHL-KRWDZBQOSA-N 2 2 348.535 3.098 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC(C)(C)C ZINC001732011077 1428225628 /nfs/dbraw/zinc/22/56/28/1428225628.db2.gz RVHIZWPRFFQAHL-KRWDZBQOSA-N 2 2 348.535 3.098 10 0 EGAELP CCC/C=C/CC[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001732128180 1428375955 /nfs/dbraw/zinc/37/59/55/1428375955.db2.gz YYZGPLFVSRROMK-AATRIKPKSA-N 2 2 340.471 3.051 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185082 1428433733 /nfs/dbraw/zinc/43/37/33/1428433733.db2.gz KHTYTBRTUSQLPF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185082 1428433734 /nfs/dbraw/zinc/43/37/34/1428433734.db2.gz KHTYTBRTUSQLPF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185082 1428433735 /nfs/dbraw/zinc/43/37/35/1428433735.db2.gz KHTYTBRTUSQLPF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185082 1428433736 /nfs/dbraw/zinc/43/37/36/1428433736.db2.gz 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Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001699119233 1412519784 /nfs/dbraw/zinc/51/97/84/1412519784.db2.gz LMXGASKRPCZPCP-CRAIPNDOSA-N 2 2 347.503 3.064 10 0 EGAELP CC[C@H]([NH2+]CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001699214901 1412579955 /nfs/dbraw/zinc/57/99/55/1412579955.db2.gz VDVAZGUWFKSTIR-KRWDZBQOSA-N 2 2 342.487 3.277 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001732542773 1428697486 /nfs/dbraw/zinc/69/74/86/1428697486.db2.gz WCCFLDRSENBLLW-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001699771077 1413177588 /nfs/dbraw/zinc/17/75/88/1413177588.db2.gz QRFMICGDZPGYBO-HZPDHXFCSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001699771077 1413177592 /nfs/dbraw/zinc/17/75/92/1413177592.db2.gz QRFMICGDZPGYBO-HZPDHXFCSA-N 2 2 332.492 3.064 10 0 EGAELP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700222952 1413671839 /nfs/dbraw/zinc/67/18/39/1413671839.db2.gz OBPVJYNVFCGPPT-UHFFFAOYSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700282078 1413727542 /nfs/dbraw/zinc/72/75/42/1413727542.db2.gz MHOXYFGWMHBSIL-PLNGDYQASA-N 2 2 340.471 3.275 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001700282231 1413727885 /nfs/dbraw/zinc/72/78/85/1413727885.db2.gz NWYBWNMLFNPXOC-VOTSOKGWSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cncc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001700407500 1413945661 /nfs/dbraw/zinc/94/56/61/1413945661.db2.gz CSDGLCVPVRRSMT-CVEARBPZSA-N 2 2 340.471 3.007 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001700468100 1414079501 /nfs/dbraw/zinc/07/95/01/1414079501.db2.gz YLXIVNNQFGURSZ-MAUKXSAKSA-N 2 2 348.450 3.072 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001700468100 1414079506 /nfs/dbraw/zinc/07/95/06/1414079506.db2.gz YLXIVNNQFGURSZ-MAUKXSAKSA-N 2 2 348.450 3.072 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001732609848 1428870006 /nfs/dbraw/zinc/87/00/06/1428870006.db2.gz SEJIFXLNBIBFEG-IRXDYDNUSA-N 2 2 346.519 3.190 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001732609848 1428870014 /nfs/dbraw/zinc/87/00/14/1428870014.db2.gz SEJIFXLNBIBFEG-IRXDYDNUSA-N 2 2 346.519 3.190 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001732626715 1428890108 /nfs/dbraw/zinc/89/01/08/1428890108.db2.gz IXAUIRRLRYSYRF-OALUTQOASA-N 2 2 346.519 3.118 10 0 EGAELP C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733001288 1429123024 /nfs/dbraw/zinc/12/30/24/1429123024.db2.gz DEUQKGXBYNFQGQ-AWEZNQCLSA-N 2 2 348.450 3.348 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001707124376 1417211018 /nfs/dbraw/zinc/21/10/18/1417211018.db2.gz KQUFJRDFIPSJGD-GOSISDBHSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707445805 1417349783 /nfs/dbraw/zinc/34/97/83/1417349783.db2.gz UVEPMPKIBQKZRF-DLBZAZTESA-N 2 2 342.487 3.353 10 0 EGAELP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733051751 1429190118 /nfs/dbraw/zinc/19/01/18/1429190118.db2.gz ABDYALDXAOPGCL-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733051751 1429190123 /nfs/dbraw/zinc/19/01/23/1429190123.db2.gz ABDYALDXAOPGCL-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712999491 1417552557 /nfs/dbraw/zinc/55/25/57/1417552557.db2.gz MSOATZXAPXKQDE-HZPDHXFCSA-N 2 2 328.460 3.107 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@H+](CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001713041194 1417591443 /nfs/dbraw/zinc/59/14/43/1417591443.db2.gz RZTFPPIMRAGMCX-UHFFFAOYSA-N 2 2 329.488 3.391 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001713041194 1417591447 /nfs/dbraw/zinc/59/14/47/1417591447.db2.gz RZTFPPIMRAGMCX-UHFFFAOYSA-N 2 2 329.488 3.391 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001713111213 1417672794 /nfs/dbraw/zinc/67/27/94/1417672794.db2.gz HKKFNLWXYMYAIH-SFHVURJKSA-N 2 2 342.487 3.487 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001713235335 1417821948 /nfs/dbraw/zinc/82/19/48/1417821948.db2.gz GXKGOMTZROBUHT-KRWDZBQOSA-N 2 2 342.487 3.212 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254231 1417850883 /nfs/dbraw/zinc/85/08/83/1417850883.db2.gz YYQYBYOMJHLHQZ-IPLHWJFFSA-N 2 2 346.519 3.254 10 0 EGAELP CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254231 1417850887 /nfs/dbraw/zinc/85/08/87/1417850887.db2.gz YYQYBYOMJHLHQZ-IPLHWJFFSA-N 2 2 346.519 3.254 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713355997 1417972592 /nfs/dbraw/zinc/97/25/92/1417972592.db2.gz UFMZVSDIEUFRJF-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713399922 1418020452 /nfs/dbraw/zinc/02/04/52/1418020452.db2.gz WGRGBUJZRBBWKO-MRXNPFEDSA-N 2 2 334.508 3.190 10 0 EGAELP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713399922 1418020458 /nfs/dbraw/zinc/02/04/58/1418020458.db2.gz WGRGBUJZRBBWKO-MRXNPFEDSA-N 2 2 334.508 3.190 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001713417704 1418041265 /nfs/dbraw/zinc/04/12/65/1418041265.db2.gz AWBISBSPOCKPIC-JKSUJKDBSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001713417704 1418041268 /nfs/dbraw/zinc/04/12/68/1418041268.db2.gz AWBISBSPOCKPIC-JKSUJKDBSA-N 2 2 348.535 3.289 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713789061 1418606446 /nfs/dbraw/zinc/60/64/46/1418606446.db2.gz GTOLHLFIXLWRLF-OSFIAYCASA-N 2 2 332.492 3.161 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713789061 1418606449 /nfs/dbraw/zinc/60/64/49/1418606449.db2.gz GTOLHLFIXLWRLF-OSFIAYCASA-N 2 2 332.492 3.161 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC(C)C)CC1 ZINC001713857373 1418653875 /nfs/dbraw/zinc/65/38/75/1418653875.db2.gz SKDYVMQWEJATMD-QZTJIDSGSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001713857373 1418653878 /nfs/dbraw/zinc/65/38/78/1418653878.db2.gz SKDYVMQWEJATMD-QZTJIDSGSA-N 2 2 346.519 3.262 10 0 EGAELP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001714365049 1419125433 /nfs/dbraw/zinc/12/54/33/1419125433.db2.gz DMEOHGORRSCTDU-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001714365049 1419125434 /nfs/dbraw/zinc/12/54/34/1419125434.db2.gz DMEOHGORRSCTDU-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001714365049 1419125435 /nfs/dbraw/zinc/12/54/35/1419125435.db2.gz DMEOHGORRSCTDU-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001714365049 1419125439 /nfs/dbraw/zinc/12/54/39/1419125439.db2.gz DMEOHGORRSCTDU-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714402042 1419144736 /nfs/dbraw/zinc/14/47/36/1419144736.db2.gz AVSMSXSUTNVFSC-IAGOWNOFSA-N 2 2 334.508 3.134 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714405062 1419146914 /nfs/dbraw/zinc/14/69/14/1419146914.db2.gz YJJFVBMMGJZUHE-CVEARBPZSA-N 2 2 328.460 3.240 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448943 1419181346 /nfs/dbraw/zinc/18/13/46/1419181346.db2.gz NQWTTYQWWOKWSP-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448943 1419181349 /nfs/dbraw/zinc/18/13/49/1419181349.db2.gz NQWTTYQWWOKWSP-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448943 1419181351 /nfs/dbraw/zinc/18/13/51/1419181351.db2.gz NQWTTYQWWOKWSP-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448943 1419181353 /nfs/dbraw/zinc/18/13/53/1419181353.db2.gz NQWTTYQWWOKWSP-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP CCCCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001714496571 1419221339 /nfs/dbraw/zinc/22/13/39/1419221339.db2.gz VGBBXINKTYJLEU-UHFFFAOYSA-N 2 2 328.460 3.385 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC001714553601 1419281557 /nfs/dbraw/zinc/28/15/57/1419281557.db2.gz HILWLAKHGHASOZ-KURKYZTESA-N 2 2 329.488 3.105 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC001714553601 1419281558 /nfs/dbraw/zinc/28/15/58/1419281558.db2.gz HILWLAKHGHASOZ-KURKYZTESA-N 2 2 329.488 3.105 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001714866688 1419593734 /nfs/dbraw/zinc/59/37/34/1419593734.db2.gz SRILYJACNDQRHL-LJQANCHMSA-N 2 2 344.503 3.087 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001714866688 1419593736 /nfs/dbraw/zinc/59/37/36/1419593736.db2.gz SRILYJACNDQRHL-LJQANCHMSA-N 2 2 344.503 3.087 10 0 EGAELP O=C(NC1(C[NH2+]CC2=CCCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715092857 1419833335 /nfs/dbraw/zinc/83/33/35/1419833335.db2.gz SJEQHSZCWQPRER-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP O=C(NC1(C[NH2+]CC2=CCCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001715092857 1419833340 /nfs/dbraw/zinc/83/33/40/1419833340.db2.gz SJEQHSZCWQPRER-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP C[C@@H](CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1)n1cc[nH+]c1 ZINC001715107106 1419849156 /nfs/dbraw/zinc/84/91/56/1419849156.db2.gz VZXQTNODZZVCDM-HNNXBMFYSA-N 2 2 346.500 3.115 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715149525 1419894365 /nfs/dbraw/zinc/89/43/65/1419894365.db2.gz UYMIDKYGFYWIDN-DLBZAZTESA-N 2 2 342.487 3.212 10 0 EGAELP CCCCC[NH2+]CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001715172720 1419909410 /nfs/dbraw/zinc/90/94/10/1419909410.db2.gz YEYVADMTLNPFQB-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001715305985 1420015017 /nfs/dbraw/zinc/01/50/17/1420015017.db2.gz HKWGWAYOLFRCFO-RDJZCZTQSA-N 2 2 335.467 3.197 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)n1cc[nH+]c1 ZINC001715994702 1420448932 /nfs/dbraw/zinc/44/89/32/1420448932.db2.gz CEVRICRAETYBLT-JKSUJKDBSA-N 2 2 340.471 3.006 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001716030179 1420488029 /nfs/dbraw/zinc/48/80/29/1420488029.db2.gz DRMFIVILFHGLRB-ZFWWWQNUSA-N 2 2 348.878 3.043 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001716030179 1420488031 /nfs/dbraw/zinc/48/80/31/1420488031.db2.gz DRMFIVILFHGLRB-ZFWWWQNUSA-N 2 2 348.878 3.043 10 0 EGAELP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716161229 1420546789 /nfs/dbraw/zinc/54/67/89/1420546789.db2.gz CAJFZGAPAQOKRI-MRXNPFEDSA-N 2 2 342.487 3.407 10 0 EGAELP C[C@@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716443098 1420662027 /nfs/dbraw/zinc/66/20/27/1420662027.db2.gz LUSPUWPNEPMOFJ-GEZBDVBVSA-N 2 2 348.450 3.374 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001716574930 1420765203 /nfs/dbraw/zinc/76/52/03/1420765203.db2.gz CDZLNUZWOUXBOL-INIZCTEOSA-N 2 2 342.487 3.275 10 0 EGAELP CC(C)[C@H](C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001716753750 1420904808 /nfs/dbraw/zinc/90/48/08/1420904808.db2.gz PMQHCNPFTUROFC-FXAWDEMLSA-N 2 2 343.515 3.011 10 0 EGAELP CCCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001717150082 1421141032 /nfs/dbraw/zinc/14/10/32/1421141032.db2.gz NJQTVXZBZDYTPD-UHFFFAOYSA-N 2 2 328.460 3.075 10 0 EGAELP CCC1([NH2+]CCC2CCCCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717241088 1421209502 /nfs/dbraw/zinc/20/95/02/1421209502.db2.gz WMCXPNSGZDEIHG-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312117 1421257003 /nfs/dbraw/zinc/25/70/03/1421257003.db2.gz PHVPLCSEDKAIOX-DOTOQJQBSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312117 1421257004 /nfs/dbraw/zinc/25/70/04/1421257004.db2.gz PHVPLCSEDKAIOX-DOTOQJQBSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312117 1421257005 /nfs/dbraw/zinc/25/70/05/1421257005.db2.gz PHVPLCSEDKAIOX-DOTOQJQBSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312117 1421257006 /nfs/dbraw/zinc/25/70/06/1421257006.db2.gz PHVPLCSEDKAIOX-DOTOQJQBSA-N 2 2 348.535 3.241 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717330936 1421265877 /nfs/dbraw/zinc/26/58/77/1421265877.db2.gz BRMYRUZZNHAFHU-GOEBONIOSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717330936 1421265878 /nfs/dbraw/zinc/26/58/78/1421265878.db2.gz BRMYRUZZNHAFHU-GOEBONIOSA-N 2 2 328.460 3.336 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001717386086 1421326380 /nfs/dbraw/zinc/32/63/80/1421326380.db2.gz DDPVCPCZQDBBPO-HPUBIQBYSA-N 2 2 342.487 3.343 10 0 EGAELP CCCCCC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717586430 1421514339 /nfs/dbraw/zinc/51/43/39/1421514339.db2.gz LHKHWDWYRXUUKT-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717586430 1421514341 /nfs/dbraw/zinc/51/43/41/1421514341.db2.gz LHKHWDWYRXUUKT-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001717691661 1421568392 /nfs/dbraw/zinc/56/83/92/1421568392.db2.gz GVYASVRNXJFVAT-INIZCTEOSA-N 2 2 348.535 3.054 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001733313570 1429497999 /nfs/dbraw/zinc/49/79/99/1429497999.db2.gz STIBRHUFZLQTIF-DLBZAZTESA-N 2 2 340.471 3.046 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733458653 1429679447 /nfs/dbraw/zinc/67/94/47/1429679447.db2.gz IHQPKOXGKREDTA-QINHECLXSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733458653 1429679448 /nfs/dbraw/zinc/67/94/48/1429679448.db2.gz IHQPKOXGKREDTA-QINHECLXSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733458653 1429679451 /nfs/dbraw/zinc/67/94/51/1429679451.db2.gz IHQPKOXGKREDTA-QINHECLXSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733458653 1429679454 /nfs/dbraw/zinc/67/94/54/1429679454.db2.gz IHQPKOXGKREDTA-QINHECLXSA-N 2 2 346.519 3.168 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001722940076 1424267274 /nfs/dbraw/zinc/26/72/74/1424267274.db2.gz OKJBGRJOCQRKRK-ZWKOTPCHSA-N 2 2 342.487 3.321 10 0 EGAELP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CCCF ZINC001723370677 1424374113 /nfs/dbraw/zinc/37/41/13/1424374113.db2.gz JGNHMCBFUHYIDV-SJORKVTESA-N 2 2 335.467 3.197 10 0 EGAELP C[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001723577074 1424471449 /nfs/dbraw/zinc/47/14/49/1424471449.db2.gz HUTVBPURWXTRTG-OAHLLOKOSA-N 2 2 348.450 3.105 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001723840167 1424581897 /nfs/dbraw/zinc/58/18/97/1424581897.db2.gz AUPFJYQGXSZFOJ-JKSUJKDBSA-N 2 2 334.508 3.138 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001723840167 1424581901 /nfs/dbraw/zinc/58/19/01/1424581901.db2.gz AUPFJYQGXSZFOJ-JKSUJKDBSA-N 2 2 334.508 3.138 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001723928464 1424606503 /nfs/dbraw/zinc/60/65/03/1424606503.db2.gz SAFICKBEANXNBY-CHYADLBTSA-N 2 2 340.471 3.275 10 0 EGAELP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001724089917 1424656694 /nfs/dbraw/zinc/65/66/94/1424656694.db2.gz SQUHDTDSZDGJGQ-OPQSBORISA-N 2 2 346.862 3.194 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724160646 1424698878 /nfs/dbraw/zinc/69/88/78/1424698878.db2.gz DWKQMSKTWRXTQU-AQIYZVDXSA-N 2 2 346.519 3.407 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724160646 1424698880 /nfs/dbraw/zinc/69/88/80/1424698880.db2.gz DWKQMSKTWRXTQU-AQIYZVDXSA-N 2 2 346.519 3.407 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001724557564 1424912105 /nfs/dbraw/zinc/91/21/05/1424912105.db2.gz DFMLQSQYTCWFID-CRAIPNDOSA-N 2 2 346.519 3.058 10 0 EGAELP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001724588547 1424922512 /nfs/dbraw/zinc/92/25/12/1424922512.db2.gz NJQLPNWAGWOOMM-HOCLYGCPSA-N 2 2 328.460 3.051 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001724590570 1424923388 /nfs/dbraw/zinc/92/33/88/1424923388.db2.gz ZKFLFALWNHBHJU-FUHWJXTLSA-N 2 2 348.535 3.047 10 0 EGAELP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001733566021 1429767731 /nfs/dbraw/zinc/76/77/31/1429767731.db2.gz MPPMMFVODLAVBM-OKYOBFRVSA-N 2 2 344.503 3.160 10 0 EGAELP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001733566021 1429767734 /nfs/dbraw/zinc/76/77/34/1429767734.db2.gz MPPMMFVODLAVBM-OKYOBFRVSA-N 2 2 344.503 3.160 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC(C)(C)C ZINC001725003178 1425414172 /nfs/dbraw/zinc/41/41/72/1425414172.db2.gz NXBYSUCPTKYSNH-SJORKVTESA-N 2 2 334.508 3.069 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC(C)(C)C ZINC001725003178 1425414175 /nfs/dbraw/zinc/41/41/75/1425414175.db2.gz NXBYSUCPTKYSNH-SJORKVTESA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725051946 1425485138 /nfs/dbraw/zinc/48/51/38/1425485138.db2.gz FBNONWPSOUGIOF-INIZCTEOSA-N 2 2 334.508 3.046 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725051946 1425485142 /nfs/dbraw/zinc/48/51/42/1425485142.db2.gz FBNONWPSOUGIOF-INIZCTEOSA-N 2 2 334.508 3.046 10 0 EGAELP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001725130684 1425600147 /nfs/dbraw/zinc/60/01/47/1425600147.db2.gz NDOIJXOVLGSAHJ-OPQOLIRYSA-N 2 2 346.519 3.309 10 0 EGAELP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001725130684 1425600153 /nfs/dbraw/zinc/60/01/53/1425600153.db2.gz NDOIJXOVLGSAHJ-OPQOLIRYSA-N 2 2 346.519 3.309 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001725153201 1425638882 /nfs/dbraw/zinc/63/88/82/1425638882.db2.gz ZHPMBGDNIUQIBG-KRWDZBQOSA-N 2 2 342.487 3.027 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175464 1425691837 /nfs/dbraw/zinc/69/18/37/1425691837.db2.gz ZYPAFDBWCIZKFC-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175464 1425691839 /nfs/dbraw/zinc/69/18/39/1425691839.db2.gz ZYPAFDBWCIZKFC-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)C[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001725223070 1425791912 /nfs/dbraw/zinc/79/19/12/1425791912.db2.gz UITRKORYBQSENM-UHFFFAOYSA-N 2 2 328.460 3.013 10 0 EGAELP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001725396831 1426042076 /nfs/dbraw/zinc/04/20/76/1426042076.db2.gz VHUVIWARWHJPFQ-IRXDYDNUSA-N 2 2 348.535 3.146 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001725666335 1426348879 /nfs/dbraw/zinc/34/88/79/1426348879.db2.gz POFLLXLTWNIESD-JJEJIETFSA-N 2 2 346.519 3.110 10 0 EGAELP CCCCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001725742912 1426419405 /nfs/dbraw/zinc/41/94/05/1426419405.db2.gz BQHDOOMOFJQIQT-QGZVFWFLSA-N 2 2 330.476 3.487 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCCCCC1 ZINC001731322290 1427262904 /nfs/dbraw/zinc/26/29/04/1427262904.db2.gz LUGDKSOLIBRAOR-UHFFFAOYSA-N 2 2 334.508 3.059 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCCCCC1 ZINC001731322290 1427262910 /nfs/dbraw/zinc/26/29/10/1427262910.db2.gz LUGDKSOLIBRAOR-UHFFFAOYSA-N 2 2 334.508 3.059 10 0 EGAELP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731424323 1427405217 /nfs/dbraw/zinc/40/52/17/1427405217.db2.gz IRUPSDYHPBGQLE-IBGZPJMESA-N 2 2 346.519 3.024 10 0 EGAELP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731424323 1427405218 /nfs/dbraw/zinc/40/52/18/1427405218.db2.gz IRUPSDYHPBGQLE-IBGZPJMESA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731515326 1427502512 /nfs/dbraw/zinc/50/25/12/1427502512.db2.gz CRIXQZMFFJVSLD-HNNXBMFYSA-N 2 2 342.487 3.441 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544327 1427559619 /nfs/dbraw/zinc/55/96/19/1427559619.db2.gz UMDGWMXXQVWWCQ-FUHWJXTLSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544327 1427559621 /nfs/dbraw/zinc/55/96/21/1427559621.db2.gz UMDGWMXXQVWWCQ-FUHWJXTLSA-N 2 2 346.519 3.241 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001731570246 1427610596 /nfs/dbraw/zinc/61/05/96/1427610596.db2.gz XBDFWOCCNBXECL-ARJAWSKDSA-N 2 2 340.471 3.321 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001731572508 1427614821 /nfs/dbraw/zinc/61/48/21/1427614821.db2.gz YZOFANFBRPHXHV-ODIFPOPNSA-N 2 2 346.519 3.042 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001731572508 1427614824 /nfs/dbraw/zinc/61/48/24/1427614824.db2.gz YZOFANFBRPHXHV-ODIFPOPNSA-N 2 2 346.519 3.042 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001733764143 1429983705 /nfs/dbraw/zinc/98/37/05/1429983705.db2.gz DSJHDOPWCJEDKX-QWNKOJSDSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001733764143 1429983709 /nfs/dbraw/zinc/98/37/09/1429983709.db2.gz DSJHDOPWCJEDKX-QWNKOJSDSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938458 1437754103 /nfs/dbraw/zinc/75/41/03/1437754103.db2.gz WNBFFVGZSRWBIQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938458 1437754105 /nfs/dbraw/zinc/75/41/05/1437754105.db2.gz WNBFFVGZSRWBIQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938458 1437754106 /nfs/dbraw/zinc/75/41/06/1437754106.db2.gz WNBFFVGZSRWBIQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938458 1437754108 /nfs/dbraw/zinc/75/41/08/1437754108.db2.gz WNBFFVGZSRWBIQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001733980209 1437778188 /nfs/dbraw/zinc/77/81/88/1437778188.db2.gz UMIMKVZOMLHFQA-HZPDHXFCSA-N 2 2 347.503 3.086 10 0 EGAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001734018066 1437807716 /nfs/dbraw/zinc/80/77/16/1437807716.db2.gz DOJILCRLGJIIFG-INIZCTEOSA-N 2 2 337.483 3.443 10 0 EGAELP CC[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001734025047 1437813037 /nfs/dbraw/zinc/81/30/37/1437813037.db2.gz HACUWNDOCKIHDC-SFHVURJKSA-N 2 2 342.487 3.109 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107127 1437893928 /nfs/dbraw/zinc/89/39/28/1437893928.db2.gz VXCOMOHJAKVXSO-QWNKOJSDSA-N 2 2 346.519 3.368 10 0 EGAELP CCC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107127 1437893930 /nfs/dbraw/zinc/89/39/30/1437893930.db2.gz VXCOMOHJAKVXSO-QWNKOJSDSA-N 2 2 346.519 3.368 10 0 EGAELP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001734343079 1438062820 /nfs/dbraw/zinc/06/28/20/1438062820.db2.gz PAQCVCKJFHQESE-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001734351982 1438069878 /nfs/dbraw/zinc/06/98/78/1438069878.db2.gz WLYBVCQLLCJIRB-CVEARBPZSA-N 2 2 342.487 3.193 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001734477640 1438126176 /nfs/dbraw/zinc/12/61/76/1438126176.db2.gz QSULVUOCZXBLDR-CGXDKWGCSA-N 2 2 335.879 3.247 10 0 EGAELP CCCCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001734583622 1438174184 /nfs/dbraw/zinc/17/41/84/1438174184.db2.gz CWJUWPOLPIXUAG-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174776497 231306819 /nfs/dbraw/zinc/30/68/19/231306819.db2.gz SLRPRPGSBBZSDD-HOCLYGCPSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174776497 231306823 /nfs/dbraw/zinc/30/68/23/231306823.db2.gz SLRPRPGSBBZSDD-HOCLYGCPSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174776497 231306826 /nfs/dbraw/zinc/30/68/26/231306826.db2.gz SLRPRPGSBBZSDD-HOCLYGCPSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174776497 231306829 /nfs/dbraw/zinc/30/68/29/231306829.db2.gz SLRPRPGSBBZSDD-HOCLYGCPSA-N 2 2 332.467 3.357 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000174785690 529761323 /nfs/dbraw/zinc/76/13/23/529761323.db2.gz KJPBRTRTKWFXNS-IRXDYDNUSA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000174785690 529761324 /nfs/dbraw/zinc/76/13/24/529761324.db2.gz KJPBRTRTKWFXNS-IRXDYDNUSA-N 2 2 333.863 3.469 10 0 EGAELP Cc1csc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000101549730 219135242 /nfs/dbraw/zinc/13/52/42/219135242.db2.gz QNWLTIGNZMZISD-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1csc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000101549730 219135245 /nfs/dbraw/zinc/13/52/45/219135245.db2.gz QNWLTIGNZMZISD-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1ccc2c(c1)c(C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)nn2C ZINC000067740994 215199853 /nfs/dbraw/zinc/19/98/53/215199853.db2.gz PZCBXLMGGWIWRE-UHFFFAOYSA-N 2 2 349.482 3.031 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150313 314365791 /nfs/dbraw/zinc/36/57/91/314365791.db2.gz IFVYNPGGULPSKQ-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150313 314365793 /nfs/dbraw/zinc/36/57/93/314365793.db2.gz IFVYNPGGULPSKQ-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP c1cnn(-c2ccccc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000236747825 242343612 /nfs/dbraw/zinc/34/36/12/242343612.db2.gz JJRKUXFNBDZQFR-UHFFFAOYSA-N 2 2 333.439 3.026 10 0 EGAELP CN1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377666242 169057362 /nfs/dbraw/zinc/05/73/62/169057362.db2.gz BHQDWNHZODFYTD-DLBZAZTESA-N 2 2 336.842 3.101 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091959933 218095238 /nfs/dbraw/zinc/09/52/38/218095238.db2.gz BEUCQMQKZMQLNU-OXJNMPFZSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091959933 218095240 /nfs/dbraw/zinc/09/52/40/218095240.db2.gz BEUCQMQKZMQLNU-OXJNMPFZSA-N 2 2 335.455 3.460 10 0 EGAELP CCn1cc[nH+]c1C1CCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000092062327 218111558 /nfs/dbraw/zinc/11/15/58/218111558.db2.gz YFWYDXFNAOKYRA-HNNXBMFYSA-N 2 2 343.475 3.190 10 0 EGAELP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812538 218170782 /nfs/dbraw/zinc/17/07/82/218170782.db2.gz NAEXKFSMRSZYRE-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812538 218170784 /nfs/dbraw/zinc/17/07/84/218170784.db2.gz NAEXKFSMRSZYRE-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268795980 252248609 /nfs/dbraw/zinc/24/86/09/252248609.db2.gz ZXSZMFQSXBVRKI-QFBILLFUSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268795980 252248612 /nfs/dbraw/zinc/24/86/12/252248612.db2.gz ZXSZMFQSXBVRKI-QFBILLFUSA-N 2 2 325.456 3.090 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000163333872 285038777 /nfs/dbraw/zinc/03/87/77/285038777.db2.gz KUUXGGCTTIXORO-KCQAQPDRSA-N 2 2 326.531 3.374 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000163333872 285038778 /nfs/dbraw/zinc/03/87/78/285038778.db2.gz KUUXGGCTTIXORO-KCQAQPDRSA-N 2 2 326.531 3.374 10 0 EGAELP COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178446981 533022670 /nfs/dbraw/zinc/02/26/70/533022670.db2.gz SQXVUGBROQHGKE-DNVCBOLYSA-N 2 2 337.423 3.265 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)CCO1 ZINC000275698528 257991362 /nfs/dbraw/zinc/99/13/62/257991362.db2.gz XLFOXEHZWDMQBY-SJLPKXTDSA-N 2 2 341.455 3.144 10 0 EGAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4c(s3)CCC4)C1)CCCC2 ZINC000299750350 258007586 /nfs/dbraw/zinc/00/75/86/258007586.db2.gz NETKXKUKQNSPHS-CYBMUJFWSA-N 2 2 328.485 3.154 10 0 EGAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4c(s3)CCC4)C1)CCCC2 ZINC000299750350 258007587 /nfs/dbraw/zinc/00/75/87/258007587.db2.gz NETKXKUKQNSPHS-CYBMUJFWSA-N 2 2 328.485 3.154 10 0 EGAELP c1csc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047971023 142569185 /nfs/dbraw/zinc/56/91/85/142569185.db2.gz USGPOTWQNDMDDH-UHFFFAOYSA-N 2 2 332.473 3.106 10 0 EGAELP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178318294 144069257 /nfs/dbraw/zinc/06/92/57/144069257.db2.gz SEGWPUHBAGBDBK-XJKSGUPXSA-N 2 2 334.489 3.410 10 0 EGAELP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178318294 144069259 /nfs/dbraw/zinc/06/92/59/144069259.db2.gz SEGWPUHBAGBDBK-XJKSGUPXSA-N 2 2 334.489 3.410 10 0 EGAELP COc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000120276608 152263119 /nfs/dbraw/zinc/26/31/19/152263119.db2.gz RVCGCEFJFBGIRB-NRFANRHFSA-N 2 2 349.434 3.454 10 0 EGAELP COc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000120276608 152263121 /nfs/dbraw/zinc/26/31/21/152263121.db2.gz RVCGCEFJFBGIRB-NRFANRHFSA-N 2 2 349.434 3.454 10 0 EGAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191967120 153235251 /nfs/dbraw/zinc/23/52/51/153235251.db2.gz KWQIXSFVTGSBCE-IBGZPJMESA-N 2 2 340.471 3.014 10 0 EGAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191967120 153235256 /nfs/dbraw/zinc/23/52/56/153235256.db2.gz KWQIXSFVTGSBCE-IBGZPJMESA-N 2 2 340.471 3.014 10 0 EGAELP CN1c2ccccc2[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000336651106 154208779 /nfs/dbraw/zinc/20/87/79/154208779.db2.gz CFXLNBUUSLAGKS-IBGZPJMESA-N 2 2 337.467 3.206 10 0 EGAELP CN1c2ccccc2[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC000336651106 154208785 /nfs/dbraw/zinc/20/87/85/154208785.db2.gz CFXLNBUUSLAGKS-IBGZPJMESA-N 2 2 337.467 3.206 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000345371162 156074118 /nfs/dbraw/zinc/07/41/18/156074118.db2.gz BZYSORBYGRWAOD-UHFFFAOYSA-N 2 2 342.487 3.214 10 0 EGAELP CO[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000345483838 156125157 /nfs/dbraw/zinc/12/51/57/156125157.db2.gz MFICCNSQHPBLKG-WFASDCNBSA-N 2 2 327.350 3.490 10 0 EGAELP C[N@H+](Cc1cnc(-c2ccccn2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348865284 156267074 /nfs/dbraw/zinc/26/70/74/156267074.db2.gz DERSAIUSEFHDFV-YIONKMFJSA-N 2 2 328.485 3.262 10 0 EGAELP C[N@@H+](Cc1cnc(-c2ccccn2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348865284 156267079 /nfs/dbraw/zinc/26/70/79/156267079.db2.gz DERSAIUSEFHDFV-YIONKMFJSA-N 2 2 328.485 3.262 10 0 EGAELP C[NH+](Cc1cnc(-c2ccccn2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348865284 156267084 /nfs/dbraw/zinc/26/70/84/156267084.db2.gz DERSAIUSEFHDFV-YIONKMFJSA-N 2 2 328.485 3.262 10 0 EGAELP C[NH+](Cc1cnc(-c2ccccn2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348865284 156267089 /nfs/dbraw/zinc/26/70/89/156267089.db2.gz DERSAIUSEFHDFV-YIONKMFJSA-N 2 2 328.485 3.262 10 0 EGAELP Fc1ccc(-n2nccc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000365439845 157126085 /nfs/dbraw/zinc/12/60/85/157126085.db2.gz SKNCLDKSPSRTHX-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C12CCOCC2 ZINC000249034000 163051797 /nfs/dbraw/zinc/05/17/97/163051797.db2.gz TTYNGRNZJGRPGR-HSALFYBXSA-N 2 2 346.515 3.162 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892193 163088270 /nfs/dbraw/zinc/08/82/70/163088270.db2.gz JJVNDKDOHXUBHP-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892193 163088274 /nfs/dbraw/zinc/08/82/74/163088274.db2.gz JJVNDKDOHXUBHP-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000337185749 163156677 /nfs/dbraw/zinc/15/66/77/163156677.db2.gz CVGKVTOLJFZIGA-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000338475882 163239220 /nfs/dbraw/zinc/23/92/20/163239220.db2.gz DKLLBMAVLYDBGI-GOSISDBHSA-N 2 2 333.863 3.445 10 0 EGAELP CCOc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1OC ZINC000343651223 164003697 /nfs/dbraw/zinc/00/36/97/164003697.db2.gz BAHHHGVQGKYFES-UHFFFAOYSA-N 2 2 341.455 3.120 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000344129943 164109731 /nfs/dbraw/zinc/10/97/31/164109731.db2.gz OUVYJZKEBFKCIZ-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000344129943 164109734 /nfs/dbraw/zinc/10/97/34/164109734.db2.gz OUVYJZKEBFKCIZ-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)c2)c[nH+]1 ZINC000344317409 164154664 /nfs/dbraw/zinc/15/46/64/164154664.db2.gz ADPPGVVEOFPFHY-CQSZACIVSA-N 2 2 349.525 3.468 10 0 EGAELP CO[C@H](C)c1nc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000344325604 164156620 /nfs/dbraw/zinc/15/66/20/164156620.db2.gz ICJZEEVSVFLZPC-LLVKDONJSA-N 2 2 334.470 3.388 10 0 EGAELP c1csc(N2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346133192 164345880 /nfs/dbraw/zinc/34/58/80/164345880.db2.gz MKWPXYFRZMXTNB-UHFFFAOYSA-N 2 2 345.497 3.103 10 0 EGAELP c1csc(N2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346133192 164345883 /nfs/dbraw/zinc/34/58/83/164345883.db2.gz MKWPXYFRZMXTNB-UHFFFAOYSA-N 2 2 345.497 3.103 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1COc2ccccc2O1 ZINC000346170752 164355860 /nfs/dbraw/zinc/35/58/60/164355860.db2.gz JPDNUJJIQWCRPC-OAHLLOKOSA-N 2 2 341.436 3.206 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1COc2ccccc2O1 ZINC000346170752 164355861 /nfs/dbraw/zinc/35/58/61/164355861.db2.gz JPDNUJJIQWCRPC-OAHLLOKOSA-N 2 2 341.436 3.206 10 0 EGAELP COC(=O)C1([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000346230602 164360404 /nfs/dbraw/zinc/36/04/04/164360404.db2.gz WZVJILYMFZDKQN-UHFFFAOYSA-N 2 2 333.457 3.242 10 0 EGAELP COC(=O)C1([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000346230602 164360406 /nfs/dbraw/zinc/36/04/06/164360406.db2.gz WZVJILYMFZDKQN-UHFFFAOYSA-N 2 2 333.457 3.242 10 0 EGAELP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCC1 ZINC000346491827 164385844 /nfs/dbraw/zinc/38/58/44/164385844.db2.gz PETVSCZYULWUBY-HNAYVOBHSA-N 2 2 328.435 3.027 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000346547749 164394977 /nfs/dbraw/zinc/39/49/77/164394977.db2.gz BDSOAVSEKXRDBD-PVAVHDDUSA-N 2 2 344.421 3.190 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000346547749 164394978 /nfs/dbraw/zinc/39/49/78/164394978.db2.gz BDSOAVSEKXRDBD-PVAVHDDUSA-N 2 2 344.421 3.190 10 0 EGAELP COc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355645029 166270286 /nfs/dbraw/zinc/27/02/86/166270286.db2.gz CLAKSHQNJIPBGW-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000355666024 166278619 /nfs/dbraw/zinc/27/86/19/166278619.db2.gz YBRGMNNTACRVTG-GOEBONIOSA-N 2 2 327.428 3.129 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195290806 266171979 /nfs/dbraw/zinc/17/19/79/266171979.db2.gz IXJAYXWRIUNXGD-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195290806 266171983 /nfs/dbraw/zinc/17/19/83/266171983.db2.gz IXJAYXWRIUNXGD-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000195290806 266171987 /nfs/dbraw/zinc/17/19/87/266171987.db2.gz IXJAYXWRIUNXGD-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000195290806 266171991 /nfs/dbraw/zinc/17/19/91/266171991.db2.gz IXJAYXWRIUNXGD-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417371 274027599 /nfs/dbraw/zinc/02/75/99/274027599.db2.gz QXWFGKPPWJCAGC-DLBZAZTESA-N 2 2 341.499 3.034 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417371 274027600 /nfs/dbraw/zinc/02/76/00/274027600.db2.gz QXWFGKPPWJCAGC-DLBZAZTESA-N 2 2 341.499 3.034 10 0 EGAELP c1ccc(C[NH+]2CCCC3(CCC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC000289408468 276334563 /nfs/dbraw/zinc/33/45/63/276334563.db2.gz GPAKJDONNVWGBJ-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP c1ccc(C[NH+]2CCCC3(CCC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC000289408468 276334565 /nfs/dbraw/zinc/33/45/65/276334565.db2.gz GPAKJDONNVWGBJ-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000289702990 276380663 /nfs/dbraw/zinc/38/06/63/276380663.db2.gz ORMQBSSRIJNIAL-NRFANRHFSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000289702990 276380665 /nfs/dbraw/zinc/38/06/65/276380665.db2.gz ORMQBSSRIJNIAL-NRFANRHFSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000289702990 276380667 /nfs/dbraw/zinc/38/06/67/276380667.db2.gz ORMQBSSRIJNIAL-NRFANRHFSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000289702990 276380668 /nfs/dbraw/zinc/38/06/68/276380668.db2.gz ORMQBSSRIJNIAL-NRFANRHFSA-N 2 2 337.467 3.194 10 0 EGAELP c1ccc(CC[NH+]2CCC([NH2+]Cc3noc4c3CCCC4)CC2)cc1 ZINC000290275186 276473877 /nfs/dbraw/zinc/47/38/77/276473877.db2.gz YKERTIFMKFNBBV-UHFFFAOYSA-N 2 2 339.483 3.350 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3c(Br)cccc32)c1 ZINC000414120316 309062132 /nfs/dbraw/zinc/06/21/32/309062132.db2.gz BVWSDIMQYTVDPF-MRXNPFEDSA-N 2 2 334.261 3.392 10 0 EGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000414124781 309062374 /nfs/dbraw/zinc/06/23/74/309062374.db2.gz LOOVSRAAHKRMCV-SNVBAGLBSA-N 2 2 326.213 3.215 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000248653330 308008645 /nfs/dbraw/zinc/00/86/45/308008645.db2.gz OQKOJVXTJVJMFD-CVEARBPZSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000248653330 308008646 /nfs/dbraw/zinc/00/86/46/308008646.db2.gz OQKOJVXTJVJMFD-CVEARBPZSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000248653330 308008647 /nfs/dbraw/zinc/00/86/47/308008647.db2.gz OQKOJVXTJVJMFD-CVEARBPZSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccn2)C1 ZINC000248653330 308008648 /nfs/dbraw/zinc/00/86/48/308008648.db2.gz OQKOJVXTJVJMFD-CVEARBPZSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1nocc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000293270825 308115506 /nfs/dbraw/zinc/11/55/06/308115506.db2.gz NMUGUJDRDPTFGM-UHFFFAOYSA-N 2 2 349.232 3.034 10 0 EGAELP COc1ccc(F)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000293660183 308150636 /nfs/dbraw/zinc/15/06/36/308150636.db2.gz TZYGCMFYCFWXLE-UHFFFAOYSA-N 2 2 327.403 3.443 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000414733920 309098003 /nfs/dbraw/zinc/09/80/03/309098003.db2.gz FERNYGLMELBQQY-AWEZNQCLSA-N 2 2 342.405 3.372 10 0 EGAELP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825563 309103932 /nfs/dbraw/zinc/10/39/32/309103932.db2.gz COSVBMOXKSJKAL-HXUWFJFHSA-N 2 2 338.430 3.418 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827829 309104052 /nfs/dbraw/zinc/10/40/52/309104052.db2.gz HWHJAKCCGQUQAO-ROUUACIJSA-N 2 2 328.456 3.315 10 0 EGAELP COc1ccc(Br)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414832301 309104374 /nfs/dbraw/zinc/10/43/74/309104374.db2.gz OMPGPSFBQARTAN-MRXNPFEDSA-N 2 2 335.245 3.247 10 0 EGAELP Cc1nn2c(C[NH2+]C[C@H]([NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000414833745 309104469 /nfs/dbraw/zinc/10/44/69/309104469.db2.gz PZWQWXLHJLAITG-AWEZNQCLSA-N 2 2 329.473 3.012 10 0 EGAELP Nc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]c2ccccc12 ZINC000301898874 308720625 /nfs/dbraw/zinc/72/06/25/308720625.db2.gz XHQGHQNNMDFSIQ-INIZCTEOSA-N 2 2 339.487 3.304 10 0 EGAELP C[C@@H](O)CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000411506784 308941725 /nfs/dbraw/zinc/94/17/25/308941725.db2.gz HZCKJPCUNMNQHH-CXAGYDPISA-N 2 2 326.431 3.241 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414907472 309108488 /nfs/dbraw/zinc/10/84/88/309108488.db2.gz AUBDRFQKDMTRFR-JOYOIKCWSA-N 2 2 349.219 3.138 10 0 EGAELP Brc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415036201 309115747 /nfs/dbraw/zinc/11/57/47/309115747.db2.gz FMSOLFBWYMZABV-QWHCGFSZSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415036201 309115748 /nfs/dbraw/zinc/11/57/48/309115748.db2.gz FMSOLFBWYMZABV-QWHCGFSZSA-N 2 2 329.307 3.475 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421332328 309318666 /nfs/dbraw/zinc/31/86/66/309318666.db2.gz LSSZFIJTMUYCMM-UHFFFAOYSA-N 2 2 331.851 3.220 10 0 EGAELP CCOc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1OC(F)F ZINC000422559477 309361698 /nfs/dbraw/zinc/36/16/98/309361698.db2.gz DEHLVCGRXPIMJU-UHFFFAOYSA-N 2 2 326.387 3.015 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000422751301 309366557 /nfs/dbraw/zinc/36/65/57/309366557.db2.gz BFZGHCQNHIKACG-HONMWMINSA-N 2 2 325.250 3.003 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H](C)c1c[nH+]ccc1N)O[C@@H](C)C2 ZINC000422778017 309367970 /nfs/dbraw/zinc/36/79/70/309367970.db2.gz GUOTVECSERPHOX-QWHCGFSZSA-N 2 2 327.428 3.067 10 0 EGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(Cl)cccc1Cl ZINC000422879583 309373638 /nfs/dbraw/zinc/37/36/38/309373638.db2.gz MPVOHYZPNIPUHB-RGYTYGDFSA-N 2 2 343.298 3.454 10 0 EGAELP CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422990942 309379800 /nfs/dbraw/zinc/37/98/00/309379800.db2.gz OUEBETWNVZYNQD-OMYXNUHHSA-N 2 2 328.500 3.244 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075909 309384643 /nfs/dbraw/zinc/38/46/43/309384643.db2.gz XXWALXWBLTZDRO-GYSYKLTISA-N 2 2 327.266 3.249 10 0 EGAELP COCC1(CC[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423140116 309388049 /nfs/dbraw/zinc/38/80/49/309388049.db2.gz XJLFOJCBYGZYFV-RBUKOAKNSA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147273 309388293 /nfs/dbraw/zinc/38/82/93/309388293.db2.gz ROFQMBXQCBNPGG-ICSRJNTNSA-N 2 2 339.483 3.451 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000423236202 309391761 /nfs/dbraw/zinc/39/17/61/309391761.db2.gz RUKNKYZIPKIZBW-QWHCGFSZSA-N 2 2 328.382 3.024 10 0 EGAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(C)ccc1OC ZINC000423242639 309391974 /nfs/dbraw/zinc/39/19/74/309391974.db2.gz ZDOCDDXFICRJRU-GOSISDBHSA-N 2 2 340.471 3.371 10 0 EGAELP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423248697 309392163 /nfs/dbraw/zinc/39/21/63/309392163.db2.gz SAMYABSLDQXVEA-LIRRHRJNSA-N 2 2 338.455 3.321 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449093378 310036514 /nfs/dbraw/zinc/03/65/14/310036514.db2.gz WDAPSNBKUHGHHP-GOSISDBHSA-N 3 2 340.515 3.267 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000449222896 310045776 /nfs/dbraw/zinc/04/57/76/310045776.db2.gz WUUUTWXHLGMWLD-UHFFFAOYSA-N 2 2 340.471 3.007 10 0 EGAELP COC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075854 310210473 /nfs/dbraw/zinc/21/04/73/310210473.db2.gz BFKBHESUZUDYLZ-RTWAWAEBSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075854 310210474 /nfs/dbraw/zinc/21/04/74/310210474.db2.gz BFKBHESUZUDYLZ-RTWAWAEBSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075854 310210475 /nfs/dbraw/zinc/21/04/75/310210475.db2.gz BFKBHESUZUDYLZ-RTWAWAEBSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075854 310210476 /nfs/dbraw/zinc/21/04/76/310210476.db2.gz BFKBHESUZUDYLZ-RTWAWAEBSA-N 2 2 346.515 3.026 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206868 310264068 /nfs/dbraw/zinc/26/40/68/310264068.db2.gz VMENPIQXETWZKQ-XLIONFOSSA-N 2 2 346.515 3.071 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206868 310264069 /nfs/dbraw/zinc/26/40/69/310264069.db2.gz VMENPIQXETWZKQ-XLIONFOSSA-N 2 2 346.515 3.071 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000453256282 310267250 /nfs/dbraw/zinc/26/72/50/310267250.db2.gz FZIGHNZSIGDNRV-HOCLYGCPSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000453256282 310267251 /nfs/dbraw/zinc/26/72/51/310267251.db2.gz FZIGHNZSIGDNRV-HOCLYGCPSA-N 2 2 340.920 3.313 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258624 310267479 /nfs/dbraw/zinc/26/74/79/310267479.db2.gz IAPVKWFMCRLWPQ-CVEARBPZSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258624 310267480 /nfs/dbraw/zinc/26/74/80/310267480.db2.gz IAPVKWFMCRLWPQ-CVEARBPZSA-N 2 2 330.447 3.476 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467356210 310673239 /nfs/dbraw/zinc/67/32/39/310673239.db2.gz UHYYZMUOONVXDO-BQJUDKOJSA-N 2 2 330.516 3.344 10 0 EGAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057138 311162375 /nfs/dbraw/zinc/16/23/75/311162375.db2.gz DCNLELUQLCZPDG-VQTJNVASSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057138 311162377 /nfs/dbraw/zinc/16/23/77/311162377.db2.gz DCNLELUQLCZPDG-VQTJNVASSA-N 2 2 349.563 3.366 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659619 312122294 /nfs/dbraw/zinc/12/22/94/312122294.db2.gz VGPHMLIFMXJEJN-HNNXBMFYSA-N 2 2 338.398 3.172 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659619 312122297 /nfs/dbraw/zinc/12/22/97/312122297.db2.gz VGPHMLIFMXJEJN-HNNXBMFYSA-N 2 2 338.398 3.172 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659619 312122299 /nfs/dbraw/zinc/12/22/99/312122299.db2.gz VGPHMLIFMXJEJN-HNNXBMFYSA-N 2 2 338.398 3.172 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659619 312122302 /nfs/dbraw/zinc/12/23/02/312122302.db2.gz VGPHMLIFMXJEJN-HNNXBMFYSA-N 2 2 338.398 3.172 10 0 EGAELP C[C@@H](CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000528726734 313156943 /nfs/dbraw/zinc/15/69/43/313156943.db2.gz LGDHSJAUUMPAQO-IBGZPJMESA-N 2 2 346.515 3.169 10 0 EGAELP Cc1ccc(C)c(OCCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528731994 313158118 /nfs/dbraw/zinc/15/81/18/313158118.db2.gz WKNULEPISDBLEP-UHFFFAOYSA-N 2 2 346.515 3.259 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912253 314154247 /nfs/dbraw/zinc/15/42/47/314154247.db2.gz ZJEUENOREIKAPG-GZBFAFLISA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912253 314154248 /nfs/dbraw/zinc/15/42/48/314154248.db2.gz ZJEUENOREIKAPG-GZBFAFLISA-N 2 2 330.394 3.403 10 0 EGAELP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940173 314217918 /nfs/dbraw/zinc/21/79/18/314217918.db2.gz XXBYUPDOCLRXKD-QUCCMNQESA-N 3 2 329.532 3.219 10 0 EGAELP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940173 314217921 /nfs/dbraw/zinc/21/79/21/314217921.db2.gz XXBYUPDOCLRXKD-QUCCMNQESA-N 3 2 329.532 3.219 10 0 EGAELP Cc1[nH+]c2cc(NC(=O)C3(C[NH+](C)C)CCCCC3)ccc2n1C ZINC000555612910 315394547 /nfs/dbraw/zinc/39/45/47/315394547.db2.gz QDXWCQHDIWGYMS-UHFFFAOYSA-N 2 2 328.460 3.332 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821362 316075431 /nfs/dbraw/zinc/07/54/31/316075431.db2.gz SKXMYAPHMGSKOT-WRHRYDJXSA-N 2 2 343.515 3.018 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821362 316075434 /nfs/dbraw/zinc/07/54/34/316075434.db2.gz SKXMYAPHMGSKOT-WRHRYDJXSA-N 2 2 343.515 3.018 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@]3(C)CC[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000565088457 316263823 /nfs/dbraw/zinc/26/38/23/316263823.db2.gz XZPBAWUZOYIOGT-OAQYLSRUSA-N 2 2 349.482 3.100 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cnc2n1 ZINC000565088457 316263827 /nfs/dbraw/zinc/26/38/27/316263827.db2.gz XZPBAWUZOYIOGT-OAQYLSRUSA-N 2 2 349.482 3.100 10 0 EGAELP CN1CC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565103417 316265676 /nfs/dbraw/zinc/26/56/76/316265676.db2.gz FAKAECRFRXKMOQ-ZWKOTPCHSA-N 2 2 339.886 3.300 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)nc1C ZINC000569690370 316949899 /nfs/dbraw/zinc/94/98/99/316949899.db2.gz RUWHZZNBUIJHNL-ZDUSSCGKSA-N 2 2 333.457 3.225 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000570343916 317042898 /nfs/dbraw/zinc/04/28/98/317042898.db2.gz OTTKOUBKIXYIOS-UHFFFAOYSA-N 2 2 337.467 3.372 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000570343916 317042901 /nfs/dbraw/zinc/04/29/01/317042901.db2.gz OTTKOUBKIXYIOS-UHFFFAOYSA-N 2 2 337.467 3.372 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000570941535 317130750 /nfs/dbraw/zinc/13/07/50/317130750.db2.gz MZQIGGRUHUYQRQ-UHFFFAOYSA-N 2 2 334.261 3.180 10 0 EGAELP Fc1ccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644757 323245015 /nfs/dbraw/zinc/24/50/15/323245015.db2.gz UNEVMSUWJYHTJD-INIZCTEOSA-N 2 2 329.419 3.424 10 0 EGAELP Fc1ccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644757 323245019 /nfs/dbraw/zinc/24/50/19/323245019.db2.gz UNEVMSUWJYHTJD-INIZCTEOSA-N 2 2 329.419 3.424 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCC1 ZINC000387491846 324272010 /nfs/dbraw/zinc/27/20/10/324272010.db2.gz WMGTVBIGCQIZHX-IPMKNSEASA-N 2 2 328.500 3.444 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCC1 ZINC000387491846 324272013 /nfs/dbraw/zinc/27/20/13/324272013.db2.gz WMGTVBIGCQIZHX-IPMKNSEASA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006906 325049616 /nfs/dbraw/zinc/04/96/16/325049616.db2.gz RUZYGKJXWXTQHW-WMZOPIPTSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006906 325049618 /nfs/dbraw/zinc/04/96/18/325049618.db2.gz RUZYGKJXWXTQHW-WMZOPIPTSA-N 2 2 343.515 3.076 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579592348 325132509 /nfs/dbraw/zinc/13/25/09/325132509.db2.gz QCOWGFONFIHWKO-SJORKVTESA-N 2 2 328.485 3.312 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579592348 325132511 /nfs/dbraw/zinc/13/25/11/325132511.db2.gz QCOWGFONFIHWKO-SJORKVTESA-N 2 2 328.485 3.312 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1sccc1Br ZINC000580803131 325296963 /nfs/dbraw/zinc/29/69/63/325296963.db2.gz BBFVYAUFYOMKNE-BDAKNGLRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1sccc1Br ZINC000580803131 325296967 /nfs/dbraw/zinc/29/69/67/325296967.db2.gz BBFVYAUFYOMKNE-BDAKNGLRSA-N 2 2 326.263 3.442 10 0 EGAELP COC(=O)C[C@@](C)([NH2+]CCc1cc[nH+]cc1C)c1cccc(F)c1 ZINC000580890596 325305625 /nfs/dbraw/zinc/30/56/25/325305625.db2.gz NKWDQBFURFMFJR-LJQANCHMSA-N 2 2 330.403 3.140 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC000581349115 325353652 /nfs/dbraw/zinc/35/36/52/325353652.db2.gz DDBLVCLEGWJCPS-LJQANCHMSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000339441491 457121621 /nfs/dbraw/zinc/12/16/21/457121621.db2.gz OYAPXNUGQRPTPD-CQSZACIVSA-N 2 2 333.423 3.388 10 0 EGAELP C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655756 455219985 /nfs/dbraw/zinc/21/99/85/455219985.db2.gz XOKQFKJBWMRSGA-BXWFABGCSA-N 2 2 340.471 3.218 10 0 EGAELP Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661142 455220754 /nfs/dbraw/zinc/22/07/54/455220754.db2.gz KCZCHKNSSYTPAN-MRXNPFEDSA-N 2 2 334.423 3.470 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077079 458396149 /nfs/dbraw/zinc/39/61/49/458396149.db2.gz KZSDXAOBYBXTFJ-RKOGSIPDSA-N 2 2 341.268 3.374 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077079 458396152 /nfs/dbraw/zinc/39/61/52/458396152.db2.gz KZSDXAOBYBXTFJ-RKOGSIPDSA-N 2 2 341.268 3.374 10 0 EGAELP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c(C)cc(C)[nH+]c1C ZINC000631825241 460573343 /nfs/dbraw/zinc/57/33/43/460573343.db2.gz CVFOKUWEHURYKO-IBGZPJMESA-N 2 2 325.456 3.162 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884821 460587947 /nfs/dbraw/zinc/58/79/47/460587947.db2.gz OUYPLXCOVPDKHR-XHDPSFHLSA-N 2 2 342.270 3.006 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884821 460587952 /nfs/dbraw/zinc/58/79/52/460587952.db2.gz OUYPLXCOVPDKHR-XHDPSFHLSA-N 2 2 342.270 3.006 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1OCCCO2 ZINC000631888336 460589320 /nfs/dbraw/zinc/58/93/20/460589320.db2.gz YCCWRLUWSCVKPY-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1OCCCO2 ZINC000631888336 460589326 /nfs/dbraw/zinc/58/93/26/460589326.db2.gz YCCWRLUWSCVKPY-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000159301819 455368753 /nfs/dbraw/zinc/36/87/53/455368753.db2.gz HDFBLTGFJMVADG-ZDUSSCGKSA-N 2 2 333.867 3.056 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000066830948 453878271 /nfs/dbraw/zinc/87/82/71/453878271.db2.gz AEXGIGSGHVZADI-UHFFFAOYSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000066830948 453878274 /nfs/dbraw/zinc/87/82/74/453878274.db2.gz AEXGIGSGHVZADI-UHFFFAOYSA-N 2 2 332.467 3.500 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000081572608 453889531 /nfs/dbraw/zinc/88/95/31/453889531.db2.gz KVADOBCYJGEZGU-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000081572608 453889535 /nfs/dbraw/zinc/88/95/35/453889535.db2.gz KVADOBCYJGEZGU-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000068388917 454022466 /nfs/dbraw/zinc/02/24/66/454022466.db2.gz HBWARQGPZBGRCM-KRWDZBQOSA-N 2 2 340.471 3.063 10 0 EGAELP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078402464 454248794 /nfs/dbraw/zinc/24/87/94/454248794.db2.gz QOWTUKHYAJALQZ-LJQANCHMSA-N 2 2 337.552 3.223 10 0 EGAELP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078402464 454248795 /nfs/dbraw/zinc/24/87/95/454248795.db2.gz QOWTUKHYAJALQZ-LJQANCHMSA-N 2 2 337.552 3.223 10 0 EGAELP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000078688198 454299628 /nfs/dbraw/zinc/29/96/28/454299628.db2.gz UMICPTOLQSRGGX-CHWSQXEVSA-N 2 2 343.924 3.118 10 0 EGAELP Cc1cc(N(C)C2CC[NH+](Cc3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000097014900 454387564 /nfs/dbraw/zinc/38/75/64/454387564.db2.gz WLKNFOTZMVMODO-UHFFFAOYSA-N 2 2 339.487 3.404 10 0 EGAELP CCOc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000091671868 454455304 /nfs/dbraw/zinc/45/53/04/454455304.db2.gz ZTDCNWLOTQTNNJ-UHFFFAOYSA-N 2 2 328.403 3.213 10 0 EGAELP c1cn(C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)c[nH+]1 ZINC000092659324 454603719 /nfs/dbraw/zinc/60/37/19/454603719.db2.gz SHYJPRGSMKNCGT-UHFFFAOYSA-N 2 2 325.441 3.239 10 0 EGAELP Cc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)s1 ZINC000134957064 454616640 /nfs/dbraw/zinc/61/66/40/454616640.db2.gz WXCIMPMKYXQQFZ-INIZCTEOSA-N 2 2 342.468 3.418 10 0 EGAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618780 460644080 /nfs/dbraw/zinc/64/40/80/460644080.db2.gz DOZFNCIAWKCUPW-AQNXPRMDSA-N 2 2 343.515 3.032 10 0 EGAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618780 460644084 /nfs/dbraw/zinc/64/40/84/460644084.db2.gz DOZFNCIAWKCUPW-AQNXPRMDSA-N 2 2 343.515 3.032 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863560 454661712 /nfs/dbraw/zinc/66/17/12/454661712.db2.gz MSASJKNRMRQLBK-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863560 454661718 /nfs/dbraw/zinc/66/17/18/454661718.db2.gz MSASJKNRMRQLBK-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@H](c1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863547 454661788 /nfs/dbraw/zinc/66/17/88/454661788.db2.gz FDWMGTBVNWMZCH-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@H](c1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863547 454661795 /nfs/dbraw/zinc/66/17/95/454661795.db2.gz FDWMGTBVNWMZCH-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000123805332 454676523 /nfs/dbraw/zinc/67/65/23/454676523.db2.gz SOOJTMNABJBZFK-JKSUJKDBSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000123805332 454676527 /nfs/dbraw/zinc/67/65/27/454676527.db2.gz SOOJTMNABJBZFK-JKSUJKDBSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805332 454676530 /nfs/dbraw/zinc/67/65/30/454676530.db2.gz SOOJTMNABJBZFK-JKSUJKDBSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805332 454676535 /nfs/dbraw/zinc/67/65/35/454676535.db2.gz SOOJTMNABJBZFK-JKSUJKDBSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000136095642 454719309 /nfs/dbraw/zinc/71/93/09/454719309.db2.gz HFLMHBFJWBTDRK-CJNGLKHVSA-N 2 2 329.835 3.267 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000136095642 454719315 /nfs/dbraw/zinc/71/93/15/454719315.db2.gz HFLMHBFJWBTDRK-CJNGLKHVSA-N 2 2 329.835 3.267 10 0 EGAELP COc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)ccc1F ZINC000152848628 454732690 /nfs/dbraw/zinc/73/26/90/454732690.db2.gz MPMAMNJXRUSKIZ-ZDUSSCGKSA-N 2 2 326.375 3.266 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153235621 454773572 /nfs/dbraw/zinc/77/35/72/454773572.db2.gz ZLJFSVIFEVBWRA-KXBFYZLASA-N 2 2 332.488 3.075 10 0 EGAELP COc1cccc([C@@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000176891231 454795770 /nfs/dbraw/zinc/79/57/70/454795770.db2.gz RDWANLIUOQUNIT-QGZVFWFLSA-N 2 2 342.487 3.049 10 0 EGAELP COc1cccc([C@@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000176891231 454795772 /nfs/dbraw/zinc/79/57/72/454795772.db2.gz RDWANLIUOQUNIT-QGZVFWFLSA-N 2 2 342.487 3.049 10 0 EGAELP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000163010760 454816550 /nfs/dbraw/zinc/81/65/50/454816550.db2.gz UNKYYKPOVQGPDD-APWZRJJASA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000163010760 454816555 /nfs/dbraw/zinc/81/65/55/454816555.db2.gz UNKYYKPOVQGPDD-APWZRJJASA-N 2 2 339.439 3.038 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057896 454816605 /nfs/dbraw/zinc/81/66/05/454816605.db2.gz SIPUTTMSXWGDHC-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057896 454816610 /nfs/dbraw/zinc/81/66/10/454816610.db2.gz SIPUTTMSXWGDHC-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057896 454816615 /nfs/dbraw/zinc/81/66/15/454816615.db2.gz SIPUTTMSXWGDHC-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057896 454816620 /nfs/dbraw/zinc/81/66/20/454816620.db2.gz SIPUTTMSXWGDHC-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000182355326 455496062 /nfs/dbraw/zinc/49/60/62/455496062.db2.gz AGQOWJFUFVUXDM-KRWDZBQOSA-N 2 2 344.365 3.023 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000127694148 454988328 /nfs/dbraw/zinc/98/83/28/454988328.db2.gz UUALUWQICBWXCW-OAHLLOKOSA-N 2 2 330.472 3.079 10 0 EGAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCCc2ccccc21 ZINC000170942243 455003406 /nfs/dbraw/zinc/00/34/06/455003406.db2.gz YQNIFSIHTBUSOH-OAQYLSRUSA-N 2 2 338.499 3.357 10 0 EGAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCCc2ccccc21 ZINC000170942243 455003408 /nfs/dbraw/zinc/00/34/08/455003408.db2.gz YQNIFSIHTBUSOH-OAQYLSRUSA-N 2 2 338.499 3.357 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000155599858 455021332 /nfs/dbraw/zinc/02/13/32/455021332.db2.gz DAJPNXSQHSOIDI-ZBFHGGJFSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000155599858 455021335 /nfs/dbraw/zinc/02/13/35/455021335.db2.gz DAJPNXSQHSOIDI-ZBFHGGJFSA-N 2 2 339.468 3.485 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653464 455082769 /nfs/dbraw/zinc/08/27/69/455082769.db2.gz PICQFTSCECTICE-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653464 455082774 /nfs/dbraw/zinc/08/27/74/455082774.db2.gz PICQFTSCECTICE-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418742 455115659 /nfs/dbraw/zinc/11/56/59/455115659.db2.gz DTBAFVXAXYMFBB-ZQIUZPCESA-N 2 2 346.862 3.447 10 0 EGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418742 455115663 /nfs/dbraw/zinc/11/56/63/455115663.db2.gz DTBAFVXAXYMFBB-ZQIUZPCESA-N 2 2 346.862 3.447 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000156446376 455119201 /nfs/dbraw/zinc/11/92/01/455119201.db2.gz OHTLMZCWXLTSNM-HRCADAONSA-N 2 2 339.524 3.094 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000156446376 455119203 /nfs/dbraw/zinc/11/92/03/455119203.db2.gz OHTLMZCWXLTSNM-HRCADAONSA-N 2 2 339.524 3.094 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427159 455296033 /nfs/dbraw/zinc/29/60/33/455296033.db2.gz LWDAODCMRCLAIK-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427159 455296040 /nfs/dbraw/zinc/29/60/40/455296040.db2.gz LWDAODCMRCLAIK-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427159 455296045 /nfs/dbraw/zinc/29/60/45/455296045.db2.gz LWDAODCMRCLAIK-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427159 455296052 /nfs/dbraw/zinc/29/60/52/455296052.db2.gz LWDAODCMRCLAIK-HZPDHXFCSA-N 2 2 328.460 3.461 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434104 455298408 /nfs/dbraw/zinc/29/84/08/455298408.db2.gz PPCLXANQPDVCPV-ROUUACIJSA-N 2 2 331.504 3.212 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434104 455298410 /nfs/dbraw/zinc/29/84/10/455298410.db2.gz PPCLXANQPDVCPV-ROUUACIJSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434104 455298415 /nfs/dbraw/zinc/29/84/15/455298415.db2.gz PPCLXANQPDVCPV-ROUUACIJSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434104 455298418 /nfs/dbraw/zinc/29/84/18/455298418.db2.gz PPCLXANQPDVCPV-ROUUACIJSA-N 2 2 331.504 3.212 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000266826820 455458530 /nfs/dbraw/zinc/45/85/30/455458530.db2.gz DAOOVHSFCYVKOE-YJBOKZPZSA-N 2 2 349.544 3.002 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000266826820 455458534 /nfs/dbraw/zinc/45/85/34/455458534.db2.gz DAOOVHSFCYVKOE-YJBOKZPZSA-N 2 2 349.544 3.002 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000191500672 455490727 /nfs/dbraw/zinc/49/07/27/455490727.db2.gz YPPOEFAGCRBGSV-UHFFFAOYSA-N 2 2 329.404 3.001 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000191500672 455490732 /nfs/dbraw/zinc/49/07/32/455490732.db2.gz YPPOEFAGCRBGSV-UHFFFAOYSA-N 2 2 329.404 3.001 10 0 EGAELP COCc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000267227285 455519712 /nfs/dbraw/zinc/51/97/12/455519712.db2.gz FBHLZQNOZQZQDS-MAUKXSAKSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000267227285 455519714 /nfs/dbraw/zinc/51/97/14/455519714.db2.gz FBHLZQNOZQZQDS-MAUKXSAKSA-N 2 2 345.512 3.290 10 0 EGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246820006 455527343 /nfs/dbraw/zinc/52/73/43/455527343.db2.gz BCVJLGJWWSZGHA-YZVOILCLSA-N 2 2 344.503 3.350 10 0 EGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246820006 455527346 /nfs/dbraw/zinc/52/73/46/455527346.db2.gz BCVJLGJWWSZGHA-YZVOILCLSA-N 2 2 344.503 3.350 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247143996 455566204 /nfs/dbraw/zinc/56/62/04/455566204.db2.gz LCWUQBBINJYJSJ-CABCVRRESA-N 2 2 346.500 3.021 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247143996 455566206 /nfs/dbraw/zinc/56/62/06/455566206.db2.gz LCWUQBBINJYJSJ-CABCVRRESA-N 2 2 346.500 3.021 10 0 EGAELP c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)[nH+]c1 ZINC000271467019 455647794 /nfs/dbraw/zinc/64/77/94/455647794.db2.gz GYKJXEFQNZTQRF-KRWDZBQOSA-N 2 2 347.528 3.085 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886178 455652789 /nfs/dbraw/zinc/65/27/89/455652789.db2.gz DAUMQVJKAGWXEJ-KBRIMQKVSA-N 2 2 342.405 3.155 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886178 455652791 /nfs/dbraw/zinc/65/27/91/455652791.db2.gz DAUMQVJKAGWXEJ-KBRIMQKVSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886178 455652792 /nfs/dbraw/zinc/65/27/92/455652792.db2.gz DAUMQVJKAGWXEJ-KBRIMQKVSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886178 455652793 /nfs/dbraw/zinc/65/27/93/455652793.db2.gz DAUMQVJKAGWXEJ-KBRIMQKVSA-N 2 2 342.405 3.155 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969943 455663514 /nfs/dbraw/zinc/66/35/14/455663514.db2.gz HGANBXBLADSORD-RHSMWYFYSA-N 2 2 328.485 3.121 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969943 455663516 /nfs/dbraw/zinc/66/35/16/455663516.db2.gz HGANBXBLADSORD-RHSMWYFYSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969943 455663517 /nfs/dbraw/zinc/66/35/17/455663517.db2.gz HGANBXBLADSORD-RHSMWYFYSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)CC[C@H]21 ZINC000247969943 455663520 /nfs/dbraw/zinc/66/35/20/455663520.db2.gz HGANBXBLADSORD-RHSMWYFYSA-N 2 2 328.485 3.121 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000248119477 455682369 /nfs/dbraw/zinc/68/23/69/455682369.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000248119477 455682372 /nfs/dbraw/zinc/68/23/72/455682372.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248119477 455682374 /nfs/dbraw/zinc/68/23/74/455682374.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000248119477 455682377 /nfs/dbraw/zinc/68/23/77/455682377.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 3 2 335.561 3.449 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186331988 455745483 /nfs/dbraw/zinc/74/54/83/455745483.db2.gz LFIIFIYKLRCLMG-MISYRCLQSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186331988 455745487 /nfs/dbraw/zinc/74/54/87/455745487.db2.gz LFIIFIYKLRCLMG-MISYRCLQSA-N 2 2 346.515 3.071 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC1CC1 ZINC000623729344 460694059 /nfs/dbraw/zinc/69/40/59/460694059.db2.gz YYQGIFUOGJJMQY-KRWDZBQOSA-N 2 2 330.472 3.343 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OC1CC1 ZINC000623729344 460694062 /nfs/dbraw/zinc/69/40/62/460694062.db2.gz YYQGIFUOGJJMQY-KRWDZBQOSA-N 2 2 330.472 3.343 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252696158 455828444 /nfs/dbraw/zinc/82/84/44/455828444.db2.gz MYPXKOLKLMRJMX-RLLQIKCJSA-N 2 2 333.520 3.069 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000252696158 455828448 /nfs/dbraw/zinc/82/84/48/455828448.db2.gz MYPXKOLKLMRJMX-RLLQIKCJSA-N 2 2 333.520 3.069 10 0 EGAELP COc1ccc(C(=O)CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000285481746 455854597 /nfs/dbraw/zinc/85/45/97/455854597.db2.gz CSWHZSCHGIZKFB-MAUKXSAKSA-N 2 2 327.428 3.048 10 0 EGAELP COc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000285481746 455854599 /nfs/dbraw/zinc/85/45/99/455854599.db2.gz CSWHZSCHGIZKFB-MAUKXSAKSA-N 2 2 327.428 3.048 10 0 EGAELP [NH3+][C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1c1ccccc1 ZINC000261608939 455912614 /nfs/dbraw/zinc/91/26/14/455912614.db2.gz BPRJBSMRLQKFHH-ZWKOTPCHSA-N 2 2 336.464 3.132 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1c1ccccc1 ZINC000261608939 455912618 /nfs/dbraw/zinc/91/26/18/455912618.db2.gz BPRJBSMRLQKFHH-ZWKOTPCHSA-N 2 2 336.464 3.132 10 0 EGAELP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261716049 455933136 /nfs/dbraw/zinc/93/31/36/455933136.db2.gz KVRKZZKXLLUGMQ-FQEVSTJZSA-N 2 2 348.450 3.027 10 0 EGAELP C[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000261998085 455983557 /nfs/dbraw/zinc/98/35/57/455983557.db2.gz TVBRXINERGZHJT-UHFFFAOYSA-N 2 2 338.377 3.279 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000272618063 456015913 /nfs/dbraw/zinc/01/59/13/456015913.db2.gz BHXDOPGRBOIVMV-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823507 456340650 /nfs/dbraw/zinc/34/06/50/456340650.db2.gz NPSWDTIJGVPFDC-ICSRJNTNSA-N 3 2 342.531 3.176 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935840 456366210 /nfs/dbraw/zinc/36/62/10/456366210.db2.gz DRILAVMBBAQKAW-PKOBYXMFSA-N 2 2 325.456 3.132 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935840 456366215 /nfs/dbraw/zinc/36/62/15/456366215.db2.gz DRILAVMBBAQKAW-PKOBYXMFSA-N 2 2 325.456 3.132 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935837 456366492 /nfs/dbraw/zinc/36/64/92/456366492.db2.gz DRILAVMBBAQKAW-MJGOQNOKSA-N 2 2 325.456 3.132 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935837 456366499 /nfs/dbraw/zinc/36/64/99/456366499.db2.gz DRILAVMBBAQKAW-MJGOQNOKSA-N 2 2 325.456 3.132 10 0 EGAELP CC(C)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352964109 456426685 /nfs/dbraw/zinc/42/66/85/456426685.db2.gz AVTNMPDBKXCGQU-WEZQJLTASA-N 2 2 337.458 3.028 10 0 EGAELP CC(C)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352964109 456426687 /nfs/dbraw/zinc/42/66/87/456426687.db2.gz AVTNMPDBKXCGQU-WEZQJLTASA-N 2 2 337.458 3.028 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157642 456428502 /nfs/dbraw/zinc/42/85/02/456428502.db2.gz TZSVRGWBOYTDKP-INIZCTEOSA-N 2 2 338.455 3.038 10 0 EGAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157642 456428508 /nfs/dbraw/zinc/42/85/08/456428508.db2.gz TZSVRGWBOYTDKP-INIZCTEOSA-N 2 2 338.455 3.038 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281966 456506309 /nfs/dbraw/zinc/50/63/09/456506309.db2.gz ABWDJRFDMCZMRY-KBRIMQKVSA-N 2 2 339.886 3.156 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281966 456506314 /nfs/dbraw/zinc/50/63/14/456506314.db2.gz ABWDJRFDMCZMRY-KBRIMQKVSA-N 2 2 339.886 3.156 10 0 EGAELP FC(F)OC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000648818483 462292564 /nfs/dbraw/zinc/29/25/64/462292564.db2.gz UPWKDZBFOUNFPG-UHFFFAOYSA-N 2 2 339.430 3.186 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471300 456645159 /nfs/dbraw/zinc/64/51/59/456645159.db2.gz IEPLYTHRQORUCS-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471300 456645166 /nfs/dbraw/zinc/64/51/66/456645166.db2.gz IEPLYTHRQORUCS-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)CCC2 ZINC000328763494 456755805 /nfs/dbraw/zinc/75/58/05/456755805.db2.gz FTBZUZNHZOFLRA-HIFRSBDPSA-N 2 2 332.473 3.167 10 0 EGAELP CCCCCC(=O)NC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353656742 456835396 /nfs/dbraw/zinc/83/53/96/456835396.db2.gz FSHMAAZGZHYBGI-UHFFFAOYSA-N 2 2 331.504 3.484 10 0 EGAELP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C(C)(C)C)cn1 ZINC000341317226 456843726 /nfs/dbraw/zinc/84/37/26/456843726.db2.gz VDHNLRLJHHWGOL-LJQANCHMSA-N 2 2 341.503 3.157 10 0 EGAELP COc1cc(C)[nH+]c(CN(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000349252570 456924506 /nfs/dbraw/zinc/92/45/06/456924506.db2.gz VDPBGUZBLFEIRM-UHFFFAOYSA-N 2 2 339.483 3.495 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000339441491 457121602 /nfs/dbraw/zinc/12/16/02/457121602.db2.gz OYAPXNUGQRPTPD-CQSZACIVSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000339441491 457121609 /nfs/dbraw/zinc/12/16/09/457121609.db2.gz OYAPXNUGQRPTPD-CQSZACIVSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000339441491 457121614 /nfs/dbraw/zinc/12/16/14/457121614.db2.gz OYAPXNUGQRPTPD-CQSZACIVSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1ccncc1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000354489190 457253611 /nfs/dbraw/zinc/25/36/11/457253611.db2.gz BCHSPPMPCIGKRX-GOSISDBHSA-N 2 2 339.483 3.380 10 0 EGAELP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000373895644 457389497 /nfs/dbraw/zinc/38/94/97/457389497.db2.gz AVZUATWLJMODAY-OXQOHEQNSA-N 2 2 325.456 3.416 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896448 457419181 /nfs/dbraw/zinc/41/91/81/457419181.db2.gz GZIXLTGHRLTQFD-RBUKOAKNSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896448 457419184 /nfs/dbraw/zinc/41/91/84/457419184.db2.gz GZIXLTGHRLTQFD-RBUKOAKNSA-N 2 2 337.552 3.268 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018661 457442260 /nfs/dbraw/zinc/44/22/60/457442260.db2.gz PCQGEGLOKCNPBF-MBOZVWFJSA-N 2 2 341.455 3.031 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018661 457442263 /nfs/dbraw/zinc/44/22/63/457442263.db2.gz PCQGEGLOKCNPBF-MBOZVWFJSA-N 2 2 341.455 3.031 10 0 EGAELP Cc1[nH+]cn(-c2ccc(NC(=O)c3c[nH+]ccc3N(C)C)cc2)c1C ZINC000360952238 457461133 /nfs/dbraw/zinc/46/11/33/457461133.db2.gz YBRFNABGVRVWTL-UHFFFAOYSA-N 2 2 335.411 3.202 10 0 EGAELP COc1ccc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000398037259 457493620 /nfs/dbraw/zinc/49/36/20/457493620.db2.gz UVNOXFQQRJTVRX-HXUWFJFHSA-N 2 2 325.456 3.235 10 0 EGAELP COc1ccc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000398037259 457493629 /nfs/dbraw/zinc/49/36/29/457493629.db2.gz UVNOXFQQRJTVRX-HXUWFJFHSA-N 2 2 325.456 3.235 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008122 457508211 /nfs/dbraw/zinc/50/82/11/457508211.db2.gz JUTGCIPLWBWTHZ-HKUYNNGSSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008122 457508218 /nfs/dbraw/zinc/50/82/18/457508218.db2.gz JUTGCIPLWBWTHZ-HKUYNNGSSA-N 2 2 332.488 3.218 10 0 EGAELP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]2CCOC2)cc1 ZINC000357856188 457713454 /nfs/dbraw/zinc/71/34/54/457713454.db2.gz TUDMJPCQMIHQCE-GHTZIAJQSA-N 2 2 337.467 3.418 10 0 EGAELP CC(C)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000374831363 457716341 /nfs/dbraw/zinc/71/63/41/457716341.db2.gz YKTLGBLBGKXLAW-RBUKOAKNSA-N 2 2 348.441 3.365 10 0 EGAELP COC[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H](C)O1 ZINC000361394839 457716499 /nfs/dbraw/zinc/71/64/99/457716499.db2.gz IRUHZKWKLQXECV-WMZOPIPTSA-N 2 2 345.487 3.251 10 0 EGAELP COC[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H](C)O1 ZINC000361394839 457716500 /nfs/dbraw/zinc/71/65/00/457716500.db2.gz IRUHZKWKLQXECV-WMZOPIPTSA-N 2 2 345.487 3.251 10 0 EGAELP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358117795 457796800 /nfs/dbraw/zinc/79/68/00/457796800.db2.gz XZNMTCOZTMVUHS-HXUWFJFHSA-N 2 2 337.467 3.386 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000433785601 457884796 /nfs/dbraw/zinc/88/47/96/457884796.db2.gz SLBUVMFFTLUEPP-XJKSGUPXSA-N 2 2 341.484 3.245 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000433785601 457884804 /nfs/dbraw/zinc/88/48/04/457884804.db2.gz SLBUVMFFTLUEPP-XJKSGUPXSA-N 2 2 341.484 3.245 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271284 457902106 /nfs/dbraw/zinc/90/21/06/457902106.db2.gz XVBKMIAXIFCJPE-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271284 457902113 /nfs/dbraw/zinc/90/21/13/457902113.db2.gz XVBKMIAXIFCJPE-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701727 457954612 /nfs/dbraw/zinc/95/46/12/457954612.db2.gz YHVFOQNOSUMKTI-CTNGQTDRSA-N 2 2 343.515 3.108 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701727 457954619 /nfs/dbraw/zinc/95/46/19/457954619.db2.gz YHVFOQNOSUMKTI-CTNGQTDRSA-N 2 2 343.515 3.108 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101737 458010480 /nfs/dbraw/zinc/01/04/80/458010480.db2.gz KZMQENHFTAPFKD-YVEFUNNKSA-N 2 2 326.400 3.101 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101737 458010486 /nfs/dbraw/zinc/01/04/86/458010486.db2.gz KZMQENHFTAPFKD-YVEFUNNKSA-N 2 2 326.400 3.101 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C[N@@H+]1C1CC1 ZINC000358753890 458194311 /nfs/dbraw/zinc/19/43/11/458194311.db2.gz LYEZLDWWIUYBIF-GUXCAODWSA-N 2 2 336.483 3.465 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C[N@H+]1C1CC1 ZINC000358753890 458194317 /nfs/dbraw/zinc/19/43/17/458194317.db2.gz LYEZLDWWIUYBIF-GUXCAODWSA-N 2 2 336.483 3.465 10 0 EGAELP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCCC1 ZINC000446754907 458226135 /nfs/dbraw/zinc/22/61/35/458226135.db2.gz YQFYUYKHEFRNEE-SFHVURJKSA-N 2 2 330.451 3.492 10 0 EGAELP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCCC1 ZINC000446754907 458226140 /nfs/dbraw/zinc/22/61/40/458226140.db2.gz YQFYUYKHEFRNEE-SFHVURJKSA-N 2 2 330.451 3.492 10 0 EGAELP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000372883946 458339476 /nfs/dbraw/zinc/33/94/76/458339476.db2.gz RYUAHJAKKJMLOP-GOSISDBHSA-N 2 2 337.471 3.015 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000430238930 458426066 /nfs/dbraw/zinc/42/60/66/458426066.db2.gz LNKUJTIIQZNCOD-MRXNPFEDSA-N 2 2 349.438 3.255 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000430238930 458426067 /nfs/dbraw/zinc/42/60/67/458426067.db2.gz LNKUJTIIQZNCOD-MRXNPFEDSA-N 2 2 349.438 3.255 10 0 EGAELP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459658191 458438341 /nfs/dbraw/zinc/43/83/41/458438341.db2.gz JAUOGBJYUXMRJF-UHFFFAOYSA-N 2 2 327.259 3.125 10 0 EGAELP CCC[NH+]1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373485087 458506250 /nfs/dbraw/zinc/50/62/50/458506250.db2.gz NCTLQBQYVGNJKJ-UHFFFAOYSA-N 3 2 347.469 3.256 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487522 458507852 /nfs/dbraw/zinc/50/78/52/458507852.db2.gz WFYFYIMFFFBHKH-IUDNXUCKSA-N 2 2 344.425 3.057 10 0 EGAELP C[C@@H]1CCC[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000460505150 458521689 /nfs/dbraw/zinc/52/16/89/458521689.db2.gz SPFCVJCPBBRYLV-RTBURBONSA-N 2 2 349.563 3.269 10 0 EGAELP Clc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1Br ZINC000377773149 458521834 /nfs/dbraw/zinc/52/18/34/458521834.db2.gz GADURYPAMLRLPX-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP Clc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1Br ZINC000377773149 458521841 /nfs/dbraw/zinc/52/18/41/458521841.db2.gz GADURYPAMLRLPX-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@H]2C1 ZINC000424269468 458599954 /nfs/dbraw/zinc/59/99/54/458599954.db2.gz PJFJYGKHLZOILG-GANOOXTDSA-N 2 2 329.419 3.305 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022976 458656488 /nfs/dbraw/zinc/65/64/88/458656488.db2.gz QHWNKYPSTPERHA-ROUUACIJSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022976 458656495 /nfs/dbraw/zinc/65/64/95/458656495.db2.gz QHWNKYPSTPERHA-ROUUACIJSA-N 2 2 349.906 3.076 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OCCC(C)C ZINC000530180022 458710046 /nfs/dbraw/zinc/71/00/46/458710046.db2.gz ZXILLIQMIPDQAI-LJQANCHMSA-N 2 2 332.488 3.494 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231246 458725193 /nfs/dbraw/zinc/72/51/93/458725193.db2.gz HCRYYKMQUMCMPP-YEGQGQEUSA-N 2 2 328.500 3.148 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231246 458725199 /nfs/dbraw/zinc/72/51/99/458725199.db2.gz HCRYYKMQUMCMPP-YEGQGQEUSA-N 2 2 328.500 3.148 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000474028831 458856366 /nfs/dbraw/zinc/85/63/66/458856366.db2.gz GJOPLSHNCQNUAN-QHAWAJNXSA-N 2 2 342.527 3.271 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000594495513 459060686 /nfs/dbraw/zinc/06/06/86/459060686.db2.gz AXQGVKAOPPHZHJ-IYJAJMOOSA-N 2 2 328.456 3.065 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000594495513 459060689 /nfs/dbraw/zinc/06/06/89/459060689.db2.gz AXQGVKAOPPHZHJ-IYJAJMOOSA-N 2 2 328.456 3.065 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514664 459104941 /nfs/dbraw/zinc/10/49/41/459104941.db2.gz MTLAZMIZKIKUSG-DNVCBOLYSA-N 3 2 335.923 3.092 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514664 459104947 /nfs/dbraw/zinc/10/49/47/459104947.db2.gz MTLAZMIZKIKUSG-DNVCBOLYSA-N 3 2 335.923 3.092 10 0 EGAELP COC(=O)[C@](C)([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000521949092 459195438 /nfs/dbraw/zinc/19/54/38/459195438.db2.gz FAFLITCBYOCZJO-HXUWFJFHSA-N 2 2 343.471 3.446 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000595035468 459223638 /nfs/dbraw/zinc/22/36/38/459223638.db2.gz JTCLJXSGPPRPSA-IEZWGBDMSA-N 2 2 332.488 3.389 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000595035468 459223639 /nfs/dbraw/zinc/22/36/39/459223639.db2.gz JTCLJXSGPPRPSA-IEZWGBDMSA-N 2 2 332.488 3.389 10 0 EGAELP CCc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)on1 ZINC000582162114 459318229 /nfs/dbraw/zinc/31/82/29/459318229.db2.gz APNCIWNDWDALPU-INIZCTEOSA-N 2 2 327.472 3.422 10 0 EGAELP c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000561491785 459457940 /nfs/dbraw/zinc/45/79/40/459457940.db2.gz FFYCOZHJFYIXAW-LJQANCHMSA-N 2 2 332.407 3.192 10 0 EGAELP c1ccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000561491785 459457946 /nfs/dbraw/zinc/45/79/46/459457946.db2.gz FFYCOZHJFYIXAW-LJQANCHMSA-N 2 2 332.407 3.192 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C2 ZINC000569521923 459464327 /nfs/dbraw/zinc/46/43/27/459464327.db2.gz OTYSXLVDZCSORM-ARFHVFGLSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C2 ZINC000569521923 459464335 /nfs/dbraw/zinc/46/43/35/459464335.db2.gz OTYSXLVDZCSORM-ARFHVFGLSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000569521923 459464338 /nfs/dbraw/zinc/46/43/38/459464338.db2.gz OTYSXLVDZCSORM-ARFHVFGLSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)CC2 ZINC000569521923 459464344 /nfs/dbraw/zinc/46/43/44/459464344.db2.gz OTYSXLVDZCSORM-ARFHVFGLSA-N 2 2 346.519 3.017 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090839 459624568 /nfs/dbraw/zinc/62/45/68/459624568.db2.gz MSPQBLURKPAERQ-INIZCTEOSA-N 2 2 346.368 3.342 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090839 459624572 /nfs/dbraw/zinc/62/45/72/459624572.db2.gz MSPQBLURKPAERQ-INIZCTEOSA-N 2 2 346.368 3.342 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000573459074 459681820 /nfs/dbraw/zinc/68/18/20/459681820.db2.gz QIZHXTSIHVFXLR-UHFFFAOYSA-N 2 2 339.487 3.242 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(-c2cccs2)n1 ZINC000527806326 459743473 /nfs/dbraw/zinc/74/34/73/459743473.db2.gz JBEFHCACOXAOAL-INIZCTEOSA-N 2 2 330.501 3.255 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(-c2cccs2)n1 ZINC000527806326 459743477 /nfs/dbraw/zinc/74/34/77/459743477.db2.gz JBEFHCACOXAOAL-INIZCTEOSA-N 2 2 330.501 3.255 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809926 459745953 /nfs/dbraw/zinc/74/59/53/459745953.db2.gz UKVSDCMPBRYAJC-BLIXFSHQSA-N 2 2 349.478 3.238 10 0 EGAELP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)OCCCCO2 ZINC000527812866 459746779 /nfs/dbraw/zinc/74/67/79/459746779.db2.gz WLFVQTAIVSFCKU-GOSISDBHSA-N 2 2 330.472 3.345 10 0 EGAELP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)OCCCCO2 ZINC000527812866 459746783 /nfs/dbraw/zinc/74/67/83/459746783.db2.gz WLFVQTAIVSFCKU-GOSISDBHSA-N 2 2 330.472 3.345 10 0 EGAELP Clc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc2c1OCCO2 ZINC000527811218 459747248 /nfs/dbraw/zinc/74/72/48/459747248.db2.gz XHNXBMQNSZCLNX-OAHLLOKOSA-N 2 2 336.863 3.218 10 0 EGAELP Clc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc2c1OCCO2 ZINC000527811218 459747253 /nfs/dbraw/zinc/74/72/53/459747253.db2.gz XHNXBMQNSZCLNX-OAHLLOKOSA-N 2 2 336.863 3.218 10 0 EGAELP CC(C)[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1nc(C2CC2)no1 ZINC000563269235 459751842 /nfs/dbraw/zinc/75/18/42/459751842.db2.gz LNKRKYHKSNRTCA-KRWDZBQOSA-N 2 2 326.444 3.080 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943708 459778600 /nfs/dbraw/zinc/77/86/00/459778600.db2.gz BMTVUGSHWQOADQ-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943708 459778605 /nfs/dbraw/zinc/77/86/05/459778605.db2.gz BMTVUGSHWQOADQ-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008525 459794183 /nfs/dbraw/zinc/79/41/83/459794183.db2.gz FKBSMTPVYJYVDG-PXNSSMCTSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008525 459794189 /nfs/dbraw/zinc/79/41/89/459794189.db2.gz FKBSMTPVYJYVDG-PXNSSMCTSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008577 459794281 /nfs/dbraw/zinc/79/42/81/459794281.db2.gz FRIVNNYVRFMIHO-KDOFPFPSSA-N 2 2 327.472 3.239 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008577 459794286 /nfs/dbraw/zinc/79/42/86/459794286.db2.gz FRIVNNYVRFMIHO-KDOFPFPSSA-N 2 2 327.472 3.239 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CCCOC1 ZINC000545922869 459873336 /nfs/dbraw/zinc/87/33/36/459873336.db2.gz VVSBSWORWWRGBW-IYWMVGAKSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CCCOC1 ZINC000545922869 459873340 /nfs/dbraw/zinc/87/33/40/459873340.db2.gz VVSBSWORWWRGBW-IYWMVGAKSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000545922869 459873346 /nfs/dbraw/zinc/87/33/46/459873346.db2.gz VVSBSWORWWRGBW-IYWMVGAKSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000545922869 459873349 /nfs/dbraw/zinc/87/33/49/459873349.db2.gz VVSBSWORWWRGBW-IYWMVGAKSA-N 2 2 338.536 3.014 10 0 EGAELP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968494 460365683 /nfs/dbraw/zinc/36/56/83/460365683.db2.gz XATBXPLCXSJRKY-IFMALSPDSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968494 460365688 /nfs/dbraw/zinc/36/56/88/460365688.db2.gz XATBXPLCXSJRKY-IFMALSPDSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603968494 460365691 /nfs/dbraw/zinc/36/56/91/460365691.db2.gz XATBXPLCXSJRKY-IFMALSPDSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603968494 460365695 /nfs/dbraw/zinc/36/56/95/460365695.db2.gz XATBXPLCXSJRKY-IFMALSPDSA-N 2 2 338.495 3.489 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000626087516 460366356 /nfs/dbraw/zinc/36/63/56/460366356.db2.gz QLPIPSDJOAFYDO-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2SC)CC1 ZINC000626088748 460366612 /nfs/dbraw/zinc/36/66/12/460366612.db2.gz LMFMSOYWDKMMOV-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611573929 460405568 /nfs/dbraw/zinc/40/55/68/460405568.db2.gz HKOCSACLIJSQDW-OAHLLOKOSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611573929 460405573 /nfs/dbraw/zinc/40/55/73/460405573.db2.gz HKOCSACLIJSQDW-OAHLLOKOSA-N 2 2 333.819 3.160 10 0 EGAELP CCCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(C)c1 ZINC000628452682 460417069 /nfs/dbraw/zinc/41/70/69/460417069.db2.gz FPRSDHFAMSZZEO-UHFFFAOYSA-N 2 2 346.515 3.471 10 0 EGAELP c1cn([C@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)c[nH+]1 ZINC000623936667 460786688 /nfs/dbraw/zinc/78/66/88/460786688.db2.gz FRLUXQNXKIGLNF-SFHVURJKSA-N 2 2 346.438 3.035 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537532 460799671 /nfs/dbraw/zinc/79/96/71/460799671.db2.gz HYCYWGFQCCLWJF-PPQDBTBKSA-N 3 2 327.516 3.160 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537532 460799675 /nfs/dbraw/zinc/79/96/75/460799675.db2.gz HYCYWGFQCCLWJF-PPQDBTBKSA-N 3 2 327.516 3.160 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629546633 460802131 /nfs/dbraw/zinc/80/21/31/460802131.db2.gz UXCZZWKMLNAIRQ-MWNCTCPHSA-N 2 2 339.277 3.009 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000629543573 460802630 /nfs/dbraw/zinc/80/26/30/460802630.db2.gz DENGFWGRVFGNBE-YQYZPQCESA-N 2 2 336.451 3.175 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000629547286 460803650 /nfs/dbraw/zinc/80/36/50/460803650.db2.gz IMQPMNIXCHQWFB-GDLCADMTSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[NH2+]1 ZINC000629659591 460853784 /nfs/dbraw/zinc/85/37/84/460853784.db2.gz CTNVXUKKDMYGEX-APWZRJJASA-N 2 2 338.499 3.455 10 0 EGAELP CCOc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC(F)F ZINC000629662656 460854702 /nfs/dbraw/zinc/85/47/02/460854702.db2.gz GCWHZGONGKDBSE-HDICACEKSA-N 2 2 340.414 3.118 10 0 EGAELP CCOc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC(F)F ZINC000629662656 460854710 /nfs/dbraw/zinc/85/47/10/460854710.db2.gz GCWHZGONGKDBSE-HDICACEKSA-N 2 2 340.414 3.118 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629672892 460860619 /nfs/dbraw/zinc/86/06/19/460860619.db2.gz SIGXHDKVMULINQ-SCLBCKFNSA-N 2 2 343.858 3.432 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000629672878 460861351 /nfs/dbraw/zinc/86/13/51/460861351.db2.gz SCAHIHFGCHHOHS-WMLDXEAASA-N 2 2 338.480 3.441 10 0 EGAELP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+](C2CCC2)C1 ZINC000624240261 460925573 /nfs/dbraw/zinc/92/55/73/460925573.db2.gz DADCDHOGVJGXPN-HNNXBMFYSA-N 2 2 335.455 3.193 10 0 EGAELP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+](C2CCC2)C1 ZINC000624240261 460925579 /nfs/dbraw/zinc/92/55/79/460925579.db2.gz DADCDHOGVJGXPN-HNNXBMFYSA-N 2 2 335.455 3.193 10 0 EGAELP C[N@H+](Cc1cncc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000621261251 460966478 /nfs/dbraw/zinc/96/64/78/460966478.db2.gz JSLPIBMSIGKSJV-UHFFFAOYSA-N 2 2 344.890 3.269 10 0 EGAELP C[N@@H+](Cc1cncc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000621261251 460966480 /nfs/dbraw/zinc/96/64/80/460966480.db2.gz JSLPIBMSIGKSJV-UHFFFAOYSA-N 2 2 344.890 3.269 10 0 EGAELP Fc1cccc(F)c1C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000624345832 460968313 /nfs/dbraw/zinc/96/83/13/460968313.db2.gz XCAPIVQXFJWHRD-HNNXBMFYSA-N 2 2 336.426 3.187 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000608075995 460978664 /nfs/dbraw/zinc/97/86/64/460978664.db2.gz YBAPQTHZBXURMY-GOSISDBHSA-N 2 2 345.450 3.380 10 0 EGAELP CC(C)[C@H]([NH3+])CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000658994894 461130213 /nfs/dbraw/zinc/13/02/13/461130213.db2.gz VDHSZOUTGKJPRM-QGZVFWFLSA-N 2 2 328.416 3.369 10 0 EGAELP Cc1cc(C)c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000659014320 461137389 /nfs/dbraw/zinc/13/73/89/461137389.db2.gz LRKVZAZLRLCMKK-QZTJIDSGSA-N 2 2 338.455 3.274 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000665951351 461367448 /nfs/dbraw/zinc/36/74/48/461367448.db2.gz JDOLQHRPVPKAFN-GOSISDBHSA-N 2 2 349.438 3.039 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000665951351 461367457 /nfs/dbraw/zinc/36/74/57/461367457.db2.gz JDOLQHRPVPKAFN-GOSISDBHSA-N 2 2 349.438 3.039 10 0 EGAELP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](CC(F)(F)F)O1 ZINC000668766879 461421894 /nfs/dbraw/zinc/42/18/94/461421894.db2.gz AXYPPRRZGNLIHU-AAEUAGOBSA-N 2 2 345.390 3.476 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](CC(F)(F)F)O1 ZINC000668766879 461421897 /nfs/dbraw/zinc/42/18/97/461421897.db2.gz AXYPPRRZGNLIHU-AAEUAGOBSA-N 2 2 345.390 3.476 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759506 461424966 /nfs/dbraw/zinc/42/49/66/461424966.db2.gz OHFRRQAIXOKUQS-QRQLOZEOSA-N 2 2 334.529 3.151 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759506 461424978 /nfs/dbraw/zinc/42/49/78/461424978.db2.gz OHFRRQAIXOKUQS-QRQLOZEOSA-N 2 2 334.529 3.151 10 0 EGAELP Fc1cc(F)c2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655772470 461437121 /nfs/dbraw/zinc/43/71/21/461437121.db2.gz WTQZPMUBZIDSEW-KXBFYZLASA-N 2 2 336.426 3.185 10 0 EGAELP COc1c(C)cccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000655811286 461467937 /nfs/dbraw/zinc/46/79/37/461467937.db2.gz SHYGXKTVKIDEAE-UHFFFAOYSA-N 2 2 325.456 3.153 10 0 EGAELP COc1ccccc1N1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000631041071 461493911 /nfs/dbraw/zinc/49/39/11/461493911.db2.gz IQUUKBUUHWZCLM-QGZVFWFLSA-N 2 2 331.504 3.128 10 0 EGAELP COc1ccccc1N1CCC([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000631041071 461493918 /nfs/dbraw/zinc/49/39/18/461493918.db2.gz IQUUKBUUHWZCLM-QGZVFWFLSA-N 2 2 331.504 3.128 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631045315 461498182 /nfs/dbraw/zinc/49/81/82/461498182.db2.gz VECWKYYKRARLQF-VXGBXAGGSA-N 2 2 344.684 3.214 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631045315 461498183 /nfs/dbraw/zinc/49/81/83/461498183.db2.gz VECWKYYKRARLQF-VXGBXAGGSA-N 2 2 344.684 3.214 10 0 EGAELP c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344632 461573370 /nfs/dbraw/zinc/57/33/70/461573370.db2.gz CZTNTWIHMFXAQE-HXUWFJFHSA-N 2 2 338.499 3.143 10 0 EGAELP c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344632 461573379 /nfs/dbraw/zinc/57/33/79/461573379.db2.gz CZTNTWIHMFXAQE-HXUWFJFHSA-N 2 2 338.499 3.143 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)on1 ZINC000631176397 461613947 /nfs/dbraw/zinc/61/39/47/461613947.db2.gz CIAXTUWVWGZSJO-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)on1 ZINC000631176397 461613953 /nfs/dbraw/zinc/61/39/53/461613953.db2.gz CIAXTUWVWGZSJO-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP COC[C@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000653474449 461661368 /nfs/dbraw/zinc/66/13/68/461661368.db2.gz OOBNMDVRVPBTCR-ZDUSSCGKSA-N 2 2 340.431 3.074 10 0 EGAELP COc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479525 461725146 /nfs/dbraw/zinc/72/51/46/461725146.db2.gz JVTJDPPRJUQCIL-UKRRQHHQSA-N 2 2 331.485 3.269 10 0 EGAELP COc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479525 461725150 /nfs/dbraw/zinc/72/51/50/461725150.db2.gz JVTJDPPRJUQCIL-UKRRQHHQSA-N 2 2 331.485 3.269 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479849 461728435 /nfs/dbraw/zinc/72/84/35/461728435.db2.gz WOLFUODWHBCIJU-DZGCQCFKSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479849 461728443 /nfs/dbraw/zinc/72/84/43/461728443.db2.gz WOLFUODWHBCIJU-DZGCQCFKSA-N 2 2 332.879 3.191 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3ccncc3)C2)cc1 ZINC000656402537 461733514 /nfs/dbraw/zinc/73/35/14/461733514.db2.gz NKTSVMQYMVMTIM-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3ccncc3)C2)cc1 ZINC000656402537 461733522 /nfs/dbraw/zinc/73/35/22/461733522.db2.gz NKTSVMQYMVMTIM-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP 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CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614778 461773363 /nfs/dbraw/zinc/77/33/63/461773363.db2.gz JQUCJIZGSDDPCZ-VQTJNVASSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614778 461773368 /nfs/dbraw/zinc/77/33/68/461773368.db2.gz JQUCJIZGSDDPCZ-VQTJNVASSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614778 461773372 /nfs/dbraw/zinc/77/33/72/461773372.db2.gz JQUCJIZGSDDPCZ-VQTJNVASSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614515 461774157 /nfs/dbraw/zinc/77/41/57/461774157.db2.gz AZGUZRRFNULHRL-NHCUHLMSSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614515 461774163 /nfs/dbraw/zinc/77/41/63/461774163.db2.gz AZGUZRRFNULHRL-NHCUHLMSSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614515 461774167 /nfs/dbraw/zinc/77/41/67/461774167.db2.gz AZGUZRRFNULHRL-NHCUHLMSSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614515 461774174 /nfs/dbraw/zinc/77/41/74/461774174.db2.gz AZGUZRRFNULHRL-NHCUHLMSSA-N 2 2 340.511 3.082 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541313 461843819 /nfs/dbraw/zinc/84/38/19/461843819.db2.gz VRAKEJWPQXPPFE-HXUWFJFHSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541313 461843823 /nfs/dbraw/zinc/84/38/23/461843823.db2.gz VRAKEJWPQXPPFE-HXUWFJFHSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541313 461843831 /nfs/dbraw/zinc/84/38/31/461843831.db2.gz VRAKEJWPQXPPFE-HXUWFJFHSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541313 461843839 /nfs/dbraw/zinc/84/38/39/461843839.db2.gz 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462238341 /nfs/dbraw/zinc/23/83/41/462238341.db2.gz MMVOZENAXUWNFV-MSOLQXFVSA-N 2 2 334.891 3.198 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000648724182 462246424 /nfs/dbraw/zinc/24/64/24/462246424.db2.gz IXZCENCTGYNYCT-LBPRGKRZSA-N 2 2 345.834 3.014 10 0 EGAELP OC1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000657740070 462247386 /nfs/dbraw/zinc/24/73/86/462247386.db2.gz FECUOQVMELVBLQ-UHFFFAOYSA-N 2 2 336.907 3.445 10 0 EGAELP CNC(=O)CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000657761688 462255422 /nfs/dbraw/zinc/25/54/22/462255422.db2.gz AAYMFGAINNOVGC-UHFFFAOYSA-N 2 2 346.500 3.110 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2COC3(CCC3)C2)CCOCC1)c1ccccc1 ZINC000657889837 462308956 /nfs/dbraw/zinc/30/89/56/462308956.db2.gz QXZHCMKQBREEQH-MJGOQNOKSA-N 2 2 344.499 3.188 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000665256752 462373192 /nfs/dbraw/zinc/37/31/92/462373192.db2.gz LRGWSYNGOMOFNB-YSSFQJQWSA-N 2 2 342.487 3.269 10 0 EGAELP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278083 462381358 /nfs/dbraw/zinc/38/13/58/462381358.db2.gz UULQCQLDJZDFMM-ZWVUXNTGSA-N 2 2 340.442 3.460 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102883 462385103 /nfs/dbraw/zinc/38/51/03/462385103.db2.gz RHYOEACBMHZZTD-BYUNMRKYSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102883 462385104 /nfs/dbraw/zinc/38/51/04/462385104.db2.gz RHYOEACBMHZZTD-BYUNMRKYSA-N 2 2 337.471 3.069 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1 ZINC000668075699 462405567 /nfs/dbraw/zinc/40/55/67/462405567.db2.gz YGRYKERHKJEEKQ-UHFFFAOYSA-N 2 2 340.471 3.434 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894420 528062014 /nfs/dbraw/zinc/06/20/14/528062014.db2.gz HSCAGPAKJJOEAN-JYJNAYRXSA-N 2 2 328.460 3.216 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728369 534935170 /nfs/dbraw/zinc/93/51/70/534935170.db2.gz DGSVDHLZWQVLEM-AWEZNQCLSA-N 2 2 349.910 3.385 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728369 534935179 /nfs/dbraw/zinc/93/51/79/534935179.db2.gz DGSVDHLZWQVLEM-AWEZNQCLSA-N 2 2 349.910 3.385 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983058 546875642 /nfs/dbraw/zinc/87/56/42/546875642.db2.gz AXIAVFOABPQOMS-GHTZIAJQSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983058 546875645 /nfs/dbraw/zinc/87/56/45/546875645.db2.gz AXIAVFOABPQOMS-GHTZIAJQSA-N 3 2 329.532 3.361 10 0 EGAELP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCCC3)oc21 ZINC000181559701 547070284 /nfs/dbraw/zinc/07/02/84/547070284.db2.gz RLYBKMRBOZKPLM-DOTOQJQBSA-N 2 2 346.471 3.329 10 0 EGAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000249945433 547315506 /nfs/dbraw/zinc/31/55/06/547315506.db2.gz UJICICPBHAXJFG-AZUAARDMSA-N 2 2 341.455 3.106 10 0 EGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000249945433 547315514 /nfs/dbraw/zinc/31/55/14/547315514.db2.gz UJICICPBHAXJFG-AZUAARDMSA-N 2 2 341.455 3.106 10 0 EGAELP Cc1cccc2ncc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)n21 ZINC000674046190 548679643 /nfs/dbraw/zinc/67/96/43/548679643.db2.gz OIBFYXUIYKOENM-IBGZPJMESA-N 2 2 345.450 3.450 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@@H+]1C1CC1 ZINC000679023407 549617765 /nfs/dbraw/zinc/61/77/65/549617765.db2.gz FMVXIRFSZWUYKA-LZQZEXGQSA-N 2 2 348.494 3.216 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@H+]1C1CC1 ZINC000679023407 549617766 /nfs/dbraw/zinc/61/77/66/549617766.db2.gz FMVXIRFSZWUYKA-LZQZEXGQSA-N 2 2 348.494 3.216 10 0 EGAELP Cn1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nnc1C1CCC1 ZINC000679923732 549791129 /nfs/dbraw/zinc/79/11/29/549791129.db2.gz ALUCXGPHZRVDIC-UHFFFAOYSA-N 2 2 345.535 3.171 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@H](C)Cc3ccn(C(C)C)n3)[nH+]c12 ZINC000679992177 549802419 /nfs/dbraw/zinc/80/24/19/549802419.db2.gz YDWGQPOHJPNHCS-MRXNPFEDSA-N 2 2 325.460 3.183 10 0 EGAELP c1cn([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000680986219 549937705 /nfs/dbraw/zinc/93/77/05/549937705.db2.gz ZWDYEAOVCDZCCD-OAHLLOKOSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000680986219 549937706 /nfs/dbraw/zinc/93/77/06/549937706.db2.gz ZWDYEAOVCDZCCD-OAHLLOKOSA-N 2 2 325.441 3.239 10 0 EGAELP CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000682167424 550081000 /nfs/dbraw/zinc/08/10/00/550081000.db2.gz CZCTZIUKDOJTJR-CQSZACIVSA-N 2 2 345.390 3.477 10 0 EGAELP CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000682167424 550081003 /nfs/dbraw/zinc/08/10/03/550081003.db2.gz CZCTZIUKDOJTJR-CQSZACIVSA-N 2 2 345.390 3.477 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537449 550112555 /nfs/dbraw/zinc/11/25/55/550112555.db2.gz SSXHDSKHXCPSKX-HZPDHXFCSA-N 2 2 344.421 3.142 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537449 550112556 /nfs/dbraw/zinc/11/25/56/550112556.db2.gz SSXHDSKHXCPSKX-HZPDHXFCSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537449 550112558 /nfs/dbraw/zinc/11/25/58/550112558.db2.gz SSXHDSKHXCPSKX-HZPDHXFCSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537449 550112560 /nfs/dbraw/zinc/11/25/60/550112560.db2.gz SSXHDSKHXCPSKX-HZPDHXFCSA-N 2 2 344.421 3.142 10 0 EGAELP OC[C@@]1([NH2+][C@@H]2CCC23CCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000682733584 550137765 /nfs/dbraw/zinc/13/77/65/550137765.db2.gz RHBDUYGHKUNYQU-TZIWHRDSSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@@]1([NH2+][C@@H]2CCC23CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682733584 550137767 /nfs/dbraw/zinc/13/77/67/550137767.db2.gz RHBDUYGHKUNYQU-TZIWHRDSSA-N 2 2 328.500 3.326 10 0 EGAELP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000684953992 550387828 /nfs/dbraw/zinc/38/78/28/550387828.db2.gz RHABJZVNPJZBRW-HXUWFJFHSA-N 2 2 337.467 3.081 10 0 EGAELP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948790 576370250 /nfs/dbraw/zinc/37/02/50/576370250.db2.gz HXJKXHASZGWFCH-UHFFFAOYSA-N 2 2 331.464 3.166 10 0 EGAELP Fc1ccc(-n2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC000077402831 1292461885 /nfs/dbraw/zinc/46/18/85/1292461885.db2.gz HEDATROBRUDHMJ-UHFFFAOYSA-N 2 2 347.397 3.487 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC000087789338 1292746940 /nfs/dbraw/zinc/74/69/40/1292746940.db2.gz RMNBVGMCYJNXFX-VXGBXAGGSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC000087789338 1292746942 /nfs/dbraw/zinc/74/69/42/1292746942.db2.gz RMNBVGMCYJNXFX-VXGBXAGGSA-N 2 2 327.266 3.017 10 0 EGAELP C[C@@H]1CC[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000246409196 1296352339 /nfs/dbraw/zinc/35/23/39/1296352339.db2.gz BYMUIPHNZOEEQD-SJKOYZFVSA-N 2 2 331.370 3.052 10 0 EGAELP C[C@@H]1CC[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000246409196 1296352346 /nfs/dbraw/zinc/35/23/46/1296352346.db2.gz BYMUIPHNZOEEQD-SJKOYZFVSA-N 2 2 331.370 3.052 10 0 EGAELP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCCOC1 ZINC000872039418 1296690293 /nfs/dbraw/zinc/69/02/93/1296690293.db2.gz SGQILOPQAXZSAU-GBESFXJTSA-N 2 2 327.472 3.499 10 0 EGAELP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000872073917 1296719780 /nfs/dbraw/zinc/71/97/80/1296719780.db2.gz WXCIMSNBQBNQDK-HOCLYGCPSA-N 2 2 341.455 3.342 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396449 1299970861 /nfs/dbraw/zinc/97/08/61/1299970861.db2.gz IKNNVCWTSQFAGP-VQIMIIECSA-N 2 2 341.455 3.109 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+][C@@H]1CCC12CCOCC2 ZINC000883346675 1302404185 /nfs/dbraw/zinc/40/41/85/1302404185.db2.gz FCHMTFAQAQPZLR-VQTJNVASSA-N 2 2 341.499 3.342 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+][C@@H]1CCC12CCOCC2 ZINC000883346675 1302404190 /nfs/dbraw/zinc/40/41/90/1302404190.db2.gz FCHMTFAQAQPZLR-VQTJNVASSA-N 2 2 341.499 3.342 10 0 EGAELP c1[nH+]cn2ccnc(N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)c12 ZINC000893037393 1305673581 /nfs/dbraw/zinc/67/35/81/1305673581.db2.gz QGFMDWPKMFUKHI-UHFFFAOYSA-N 2 2 347.466 3.222 10 0 EGAELP c1[nH+]cn2ccnc(N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)c12 ZINC000893037393 1305673590 /nfs/dbraw/zinc/67/35/90/1305673590.db2.gz QGFMDWPKMFUKHI-UHFFFAOYSA-N 2 2 347.466 3.222 10 0 EGAELP CC(C)[N@H+](C)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894213622 1306281324 /nfs/dbraw/zinc/28/13/24/1306281324.db2.gz OLAIESVILAFWMF-ALOPSCKCSA-N 2 2 339.524 3.094 10 0 EGAELP CC(C)[N@@H+](C)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894213622 1306281334 /nfs/dbraw/zinc/28/13/34/1306281334.db2.gz OLAIESVILAFWMF-ALOPSCKCSA-N 2 2 339.524 3.094 10 0 EGAELP Cc1cccn2c(CN(c3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)c[nH+]c12 ZINC000895112940 1309196943 /nfs/dbraw/zinc/19/69/43/1309196943.db2.gz ZHZYHSFDSNXROD-QAQDUYKDSA-N 2 2 335.455 3.314 10 0 EGAELP Cn1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000895672829 1309459884 /nfs/dbraw/zinc/45/98/84/1309459884.db2.gz ZTVQPRXNYACMHY-UHFFFAOYSA-N 2 2 342.462 3.286 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c[nH+]1 ZINC000896353278 1309818337 /nfs/dbraw/zinc/81/83/37/1309818337.db2.gz XBRIBJPQADPYOO-MSOLQXFVSA-N 2 2 346.519 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c[nH+]1 ZINC000896353278 1309818343 /nfs/dbraw/zinc/81/83/43/1309818343.db2.gz XBRIBJPQADPYOO-MSOLQXFVSA-N 2 2 346.519 3.040 10 0 EGAELP C[NH+](C)Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1C(F)(F)F ZINC000899672028 1317129235 /nfs/dbraw/zinc/12/92/35/1317129235.db2.gz NEZPVTNPLGMAMT-UHFFFAOYSA-N 2 2 340.349 3.061 10 0 EGAELP C[NH+](C)Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1C(F)(F)F ZINC000899672028 1317129239 /nfs/dbraw/zinc/12/92/39/1317129239.db2.gz NEZPVTNPLGMAMT-UHFFFAOYSA-N 2 2 340.349 3.061 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533898 1328790853 /nfs/dbraw/zinc/79/08/53/1328790853.db2.gz YDBIGJCBRNKKKR-KXBFYZLASA-N 2 2 343.471 3.311 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533898 1328790859 /nfs/dbraw/zinc/79/08/59/1328790859.db2.gz YDBIGJCBRNKKKR-KXBFYZLASA-N 2 2 343.471 3.311 10 0 EGAELP Fc1cncc(F)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930265421 1328822596 /nfs/dbraw/zinc/82/25/96/1328822596.db2.gz DWTGZVFENCNMKH-UHFFFAOYSA-N 2 2 332.398 3.272 10 0 EGAELP C[N@H+](CCC[NH2+]Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1 ZINC000921508675 1322333880 /nfs/dbraw/zinc/33/38/80/1322333880.db2.gz NPPGWTRGIAHNIC-UHFFFAOYSA-N 2 2 325.412 3.145 10 0 EGAELP C[N@@H+](CCC[NH2+]Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1 ZINC000921508675 1322333885 /nfs/dbraw/zinc/33/38/85/1322333885.db2.gz NPPGWTRGIAHNIC-UHFFFAOYSA-N 2 2 325.412 3.145 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cn1 ZINC000921561414 1322353045 /nfs/dbraw/zinc/35/30/45/1322353045.db2.gz FMJRADLYLXXPOV-UHFFFAOYSA-N 2 2 333.439 3.139 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921750096 1322391403 /nfs/dbraw/zinc/39/14/03/1322391403.db2.gz SQGLVVHITMOTEM-INIZCTEOSA-N 2 2 330.451 3.168 10 0 EGAELP CC[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743231 1322608117 /nfs/dbraw/zinc/60/81/17/1322608117.db2.gz OZDCRVRZNKWJGS-PMACEKPBSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743231 1322608122 /nfs/dbraw/zinc/60/81/22/1322608122.db2.gz OZDCRVRZNKWJGS-PMACEKPBSA-N 2 2 346.515 3.215 10 0 EGAELP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508370 1322765193 /nfs/dbraw/zinc/76/51/93/1322765193.db2.gz UXWMNGCSRXLELI-WMLDXEAASA-N 2 2 336.501 3.064 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000924586159 1323064721 /nfs/dbraw/zinc/06/47/21/1323064721.db2.gz HTGCVORCSLTJCS-INIZCTEOSA-N 2 2 341.503 3.443 10 0 EGAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccns3)cc2)CC1 ZINC000924692684 1323115307 /nfs/dbraw/zinc/11/53/07/1323115307.db2.gz QHXZEQATBLTGSY-MRXNPFEDSA-N 2 2 344.528 3.131 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)cc(F)c1 ZINC000924708335 1323124948 /nfs/dbraw/zinc/12/49/48/1323124948.db2.gz YYUSDDVMOYEDGP-OAHLLOKOSA-N 2 2 344.430 3.214 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925222584 1325085536 /nfs/dbraw/zinc/08/55/36/1325085536.db2.gz RWVOJBZCQMSUBQ-IAGOWNOFSA-N 2 2 347.469 3.257 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925222584 1325085539 /nfs/dbraw/zinc/08/55/39/1325085539.db2.gz RWVOJBZCQMSUBQ-IAGOWNOFSA-N 2 2 347.469 3.257 10 0 EGAELP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925621895 1325234013 /nfs/dbraw/zinc/23/40/13/1325234013.db2.gz JVQOESKPPBFTJU-OAHLLOKOSA-N 2 2 328.378 3.140 10 0 EGAELP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1nc(-c2ccccc2)no1 ZINC000925628015 1325238702 /nfs/dbraw/zinc/23/87/02/1325238702.db2.gz DHKWZPDXPFCAAY-ZBFHGGJFSA-N 2 2 326.444 3.104 10 0 EGAELP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925719509 1325269596 /nfs/dbraw/zinc/26/95/96/1325269596.db2.gz OINBNAOWPCXHOP-VQTJNVASSA-N 2 2 349.478 3.114 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000925729987 1325273243 /nfs/dbraw/zinc/27/32/43/1325273243.db2.gz LXFPAWSOAZTPRR-NRFANRHFSA-N 2 2 343.515 3.446 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000926230273 1325484853 /nfs/dbraw/zinc/48/48/53/1325484853.db2.gz RSVALZAZAFRXLX-WFASDCNBSA-N 2 2 347.260 3.023 10 0 EGAELP COc1ccc([C@@H](C[NH+](C)C)N[C@@H](C)c2cn3c([nH+]2)CCCC3)cc1 ZINC000926382083 1325534732 /nfs/dbraw/zinc/53/47/32/1325534732.db2.gz HNXNKRVSRRDFEO-HNAYVOBHSA-N 2 2 342.487 3.182 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000926450921 1325559608 /nfs/dbraw/zinc/55/96/08/1325559608.db2.gz TWLSBKBKPWWABN-SMDDNHRTSA-N 2 2 347.260 3.092 10 0 EGAELP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926961247 1327798987 /nfs/dbraw/zinc/79/89/87/1327798987.db2.gz XQHJLPKLNKHINK-XJKSGUPXSA-N 2 2 340.393 3.406 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C)C[NH+](C)C ZINC000926961203 1327799350 /nfs/dbraw/zinc/79/93/50/1327799350.db2.gz IFSKIJZDBFYSSG-HOCLYGCPSA-N 2 2 334.460 3.367 10 0 EGAELP Cc1c(F)nccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000862354417 1329477431 /nfs/dbraw/zinc/47/74/31/1329477431.db2.gz VRFPTTQNYGECQY-MRXNPFEDSA-N 2 2 328.435 3.442 10 0 EGAELP Cc1c(F)nccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000862354417 1329477432 /nfs/dbraw/zinc/47/74/32/1329477432.db2.gz VRFPTTQNYGECQY-MRXNPFEDSA-N 2 2 328.435 3.442 10 0 EGAELP O=C(c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1)N1CCCC1 ZINC000865643350 1329724149 /nfs/dbraw/zinc/72/41/49/1329724149.db2.gz LLYMHWRWEICZHY-HXUWFJFHSA-N 2 2 341.499 3.029 10 0 EGAELP O=C(c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1)N1CCCC1 ZINC000865643350 1329724151 /nfs/dbraw/zinc/72/41/51/1329724151.db2.gz LLYMHWRWEICZHY-HXUWFJFHSA-N 2 2 341.499 3.029 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866530915 1330122713 /nfs/dbraw/zinc/12/27/13/1330122713.db2.gz NWIYSXHDMQLNEP-APWZRJJASA-N 2 2 341.455 3.109 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661957 1330138760 /nfs/dbraw/zinc/13/87/60/1330138760.db2.gz XTQKNPXOXJNFIO-YTQUADARSA-N 2 2 329.488 3.176 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661957 1330138761 /nfs/dbraw/zinc/13/87/61/1330138761.db2.gz XTQKNPXOXJNFIO-YTQUADARSA-N 2 2 329.488 3.176 10 0 EGAELP [NH3+]CCC[N@@H+](Cc1ncccc1Br)CC1CCCC1 ZINC000866664546 1330139185 /nfs/dbraw/zinc/13/91/85/1330139185.db2.gz GCBKXIVVTCYWFU-UHFFFAOYSA-N 2 2 326.282 3.185 10 0 EGAELP [NH3+]CCC[N@H+](Cc1ncccc1Br)CC1CCCC1 ZINC000866664546 1330139186 /nfs/dbraw/zinc/13/91/86/1330139186.db2.gz GCBKXIVVTCYWFU-UHFFFAOYSA-N 2 2 326.282 3.185 10 0 EGAELP C[C@@H](CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001323080072 1387284763 /nfs/dbraw/zinc/28/47/63/1387284763.db2.gz FOKHPOMEXMXMGF-QFBILLFUSA-N 2 2 346.519 3.289 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262481 1387319192 /nfs/dbraw/zinc/31/91/92/1387319192.db2.gz OEHKULKBOCUPPV-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262481 1387319194 /nfs/dbraw/zinc/31/91/94/1387319194.db2.gz OEHKULKBOCUPPV-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CCc1cccc(C[NH+]2CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C2)c1 ZINC001323981968 1387503625 /nfs/dbraw/zinc/50/36/25/1387503625.db2.gz SXDXKDSUWQBILE-FQEVSTJZSA-N 2 2 345.531 3.012 10 0 EGAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCC2CCCCC2)C1 ZINC001324962307 1387857613 /nfs/dbraw/zinc/85/76/13/1387857613.db2.gz YPAKSDHDOYYGFV-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCC2CCCCC2)C1 ZINC001324962307 1387857615 /nfs/dbraw/zinc/85/76/15/1387857615.db2.gz YPAKSDHDOYYGFV-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP CC[NH+](CC)C1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001190393300 1367250415 /nfs/dbraw/zinc/25/04/15/1367250415.db2.gz ZUXWETHSUMQIFU-UHFFFAOYSA-N 2 2 340.414 3.357 10 0 EGAELP OC[C@@]1(c2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001198742552 1369102787 /nfs/dbraw/zinc/10/27/87/1369102787.db2.gz MZMYRVVGXNBNKJ-OAQYLSRUSA-N 2 2 333.435 3.356 10 0 EGAELP OC[C@@]1(c2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001198742552 1369102790 /nfs/dbraw/zinc/10/27/90/1369102790.db2.gz MZMYRVVGXNBNKJ-OAQYLSRUSA-N 2 2 333.435 3.356 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001198770613 1369109546 /nfs/dbraw/zinc/10/95/46/1369109546.db2.gz SDRIXRGOMOGGLJ-UHFFFAOYSA-N 2 2 337.826 3.471 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901487 1388075098 /nfs/dbraw/zinc/07/50/98/1388075098.db2.gz XAYHTFVXEBIPJQ-FPAYPSAMSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901487 1388075105 /nfs/dbraw/zinc/07/51/05/1388075105.db2.gz XAYHTFVXEBIPJQ-FPAYPSAMSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901487 1388075109 /nfs/dbraw/zinc/07/51/09/1388075109.db2.gz XAYHTFVXEBIPJQ-FPAYPSAMSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901487 1388075115 /nfs/dbraw/zinc/07/51/15/1388075115.db2.gz XAYHTFVXEBIPJQ-FPAYPSAMSA-N 2 2 344.503 3.015 10 0 EGAELP Cc1nc(C)c(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC001119813870 1371407305 /nfs/dbraw/zinc/40/73/05/1371407305.db2.gz KWWHXHCWZXGTAR-HUUCEWRRSA-N 2 2 326.488 3.273 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001326725413 1388290417 /nfs/dbraw/zinc/29/04/17/1388290417.db2.gz JPJRNGSGJNWGQY-CWIOURORSA-N 2 2 340.471 3.275 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156506 1388411134 /nfs/dbraw/zinc/41/11/34/1388411134.db2.gz MAZBWNOXEGHBRL-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156506 1388411137 /nfs/dbraw/zinc/41/11/37/1388411137.db2.gz MAZBWNOXEGHBRL-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265708059 1377162722 /nfs/dbraw/zinc/16/27/22/1377162722.db2.gz JGCZHLMEMKTCLC-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001265708059 1377162724 /nfs/dbraw/zinc/16/27/24/1377162724.db2.gz JGCZHLMEMKTCLC-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001283633311 1379069205 /nfs/dbraw/zinc/06/92/05/1379069205.db2.gz YORQITBUVTZIQE-OAHLLOKOSA-N 2 2 336.524 3.189 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001284291811 1379679770 /nfs/dbraw/zinc/67/97/70/1379679770.db2.gz AOAZKHQLQARAEN-CXAGYDPISA-N 2 2 328.460 3.049 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001284614788 1380013787 /nfs/dbraw/zinc/01/37/87/1380013787.db2.gz YEPLLAJJXYQDKH-JKSUJKDBSA-N 2 2 337.483 3.489 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC001328186377 1388686099 /nfs/dbraw/zinc/68/60/99/1388686099.db2.gz UMRQVNPMVICGSJ-GOSISDBHSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC001328186377 1388686103 /nfs/dbraw/zinc/68/61/03/1388686103.db2.gz UMRQVNPMVICGSJ-GOSISDBHSA-N 2 2 348.454 3.047 10 0 EGAELP CCOC(=O)CCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308009028 1384073745 /nfs/dbraw/zinc/07/37/45/1384073745.db2.gz OVZAXMVVHXGWNP-NHCUHLMSSA-N 2 2 344.499 3.174 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001316618697 1384484403 /nfs/dbraw/zinc/48/44/03/1384484403.db2.gz SOWFVBLLEXIRJZ-QCUYKYDPSA-N 2 2 329.488 3.461 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001329033557 1388939283 /nfs/dbraw/zinc/93/92/83/1388939283.db2.gz IEUYVPQSJBXSPF-GJZGRUSLSA-N 2 2 330.476 3.175 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2)n1cc[nH+]c1 ZINC001317000435 1384758246 /nfs/dbraw/zinc/75/82/46/1384758246.db2.gz GCYVCDZBIKSZFG-IRXDYDNUSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317150333 1384917205 /nfs/dbraw/zinc/91/72/05/1384917205.db2.gz MXIFLDZTZXPEJA-OALUTQOASA-N 2 2 346.519 3.265 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317190732 1384964623 /nfs/dbraw/zinc/96/46/23/1384964623.db2.gz RGGCEKLXXFYWEN-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317190732 1384964626 /nfs/dbraw/zinc/96/46/26/1384964626.db2.gz RGGCEKLXXFYWEN-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001317272523 1385043131 /nfs/dbraw/zinc/04/31/31/1385043131.db2.gz UKFMWXSTBYDXFM-CABCVRRESA-N 2 2 348.878 3.091 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317758108 1385447706 /nfs/dbraw/zinc/44/77/06/1385447706.db2.gz DVKGXTBMGYTJSE-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317758108 1385447711 /nfs/dbraw/zinc/44/77/11/1385447711.db2.gz DVKGXTBMGYTJSE-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001317758108 1385447714 /nfs/dbraw/zinc/44/77/14/1385447714.db2.gz DVKGXTBMGYTJSE-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001317758108 1385447718 /nfs/dbraw/zinc/44/77/18/1385447718.db2.gz DVKGXTBMGYTJSE-KZNAEPCWSA-N 2 2 346.519 3.262 10 0 EGAELP COC(=O)c1coc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176984896 1385764912 /nfs/dbraw/zinc/76/49/12/1385764912.db2.gz NUPIQPRIKLFXSA-AWEZNQCLSA-N 2 2 345.443 3.397 10 0 EGAELP COC(=O)c1coc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176984896 1385764920 /nfs/dbraw/zinc/76/49/20/1385764920.db2.gz NUPIQPRIKLFXSA-AWEZNQCLSA-N 2 2 345.443 3.397 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001319548702 1386172775 /nfs/dbraw/zinc/17/27/75/1386172775.db2.gz YFXSDOKGDVKPOO-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP 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ZINC001321847795 1386995573 /nfs/dbraw/zinc/99/55/73/1386995573.db2.gz BEGHTXMMCSPXOJ-HNNXBMFYSA-N 2 2 342.487 3.321 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001698711429 1406353859 /nfs/dbraw/zinc/35/38/59/1406353859.db2.gz KZEYUXUHIZXPMS-WGSAOQKQSA-N 2 2 346.519 3.261 10 0 EGAELP CC(C)CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001331303263 1389693480 /nfs/dbraw/zinc/69/34/80/1389693480.db2.gz NJZQTVQVRIELIB-GOSISDBHSA-N 2 2 342.487 3.211 10 0 EGAELP C[C@@H](CC(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001332424951 1390113220 /nfs/dbraw/zinc/11/32/20/1390113220.db2.gz WUUNTZQKNQLOTB-HOTGVXAUSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC001339795981 1390150956 /nfs/dbraw/zinc/15/09/56/1390150956.db2.gz WCRGIQLEOFLDDX-NSHDSACASA-N 2 2 340.349 3.163 10 0 EGAELP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC001348853120 1391275642 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CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001725143940 1425623659 /nfs/dbraw/zinc/62/36/59/1425623659.db2.gz XMBPOUAFDWKLTC-OAHLLOKOSA-N 2 2 336.524 3.047 10 0 EGAELP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001725396832 1426041700 /nfs/dbraw/zinc/04/17/00/1426041700.db2.gz VHUVIWARWHJPFQ-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001725657785 1426340082 /nfs/dbraw/zinc/34/00/82/1426340082.db2.gz BDAQGWBJHJXEKF-OSJSJHBBSA-N 2 2 340.471 3.131 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001731291784 1427233624 /nfs/dbraw/zinc/23/36/24/1427233624.db2.gz GSPNAQPDFMSJEH-AEFFLSMTSA-N 2 2 348.535 3.148 10 0 EGAELP CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCCCC1 ZINC001731308495 1427250442 /nfs/dbraw/zinc/25/04/42/1427250442.db2.gz HXYXNNUZWWTACA-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCCCC1 ZINC001731308495 1427250447 /nfs/dbraw/zinc/25/04/47/1427250447.db2.gz HXYXNNUZWWTACA-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCC1CCCCCC1 ZINC001731624801 1427674992 /nfs/dbraw/zinc/67/49/92/1427674992.db2.gz WDDAZNILGUTRQT-IAGOWNOFSA-N 2 2 334.508 3.289 10 0 EGAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC1CCCCCC1 ZINC001731624804 1427675496 /nfs/dbraw/zinc/67/54/96/1427675496.db2.gz WDDAZNILGUTRQT-SJORKVTESA-N 2 2 334.508 3.289 10 0 EGAELP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876170 1437703309 /nfs/dbraw/zinc/70/33/09/1437703309.db2.gz UBECJMRFBKCXDS-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876170 1437703310 /nfs/dbraw/zinc/70/33/10/1437703310.db2.gz UBECJMRFBKCXDS-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941030 1437757258 /nfs/dbraw/zinc/75/72/58/1437757258.db2.gz NGTWTTRJAMTXSZ-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941030 1437757261 /nfs/dbraw/zinc/75/72/61/1437757261.db2.gz NGTWTTRJAMTXSZ-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCC(C)(C)C ZINC001734288867 1438018514 /nfs/dbraw/zinc/01/85/14/1438018514.db2.gz UNMFWYQGKFUTIB-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]C/C=C\Cl)C(C)C)c(C)[nH+]1 ZINC001734289992 1438019959 /nfs/dbraw/zinc/01/99/59/1438019959.db2.gz ZFBVQUAQOXXHRZ-QKIRZYONSA-N 2 2 337.895 3.493 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001750929113 1440112462 /nfs/dbraw/zinc/11/24/62/1440112462.db2.gz IHSYWKYNPJKNHT-MOPGFXCFSA-N 2 2 348.535 3.268 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001750929113 1440112463 /nfs/dbraw/zinc/11/24/63/1440112463.db2.gz IHSYWKYNPJKNHT-MOPGFXCFSA-N 2 2 348.535 3.268 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001750930709 1440113276 /nfs/dbraw/zinc/11/32/76/1440113276.db2.gz CQZWZSYAOULIBJ-SFHVURJKSA-N 2 2 334.508 3.091 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001750930709 1440113277 /nfs/dbraw/zinc/11/32/77/1440113277.db2.gz CQZWZSYAOULIBJ-SFHVURJKSA-N 2 2 334.508 3.091 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001750930709 1440113278 /nfs/dbraw/zinc/11/32/78/1440113278.db2.gz CQZWZSYAOULIBJ-SFHVURJKSA-N 2 2 334.508 3.091 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001750930709 1440113279 /nfs/dbraw/zinc/11/32/79/1440113279.db2.gz CQZWZSYAOULIBJ-SFHVURJKSA-N 2 2 334.508 3.091 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103678 168311402 /nfs/dbraw/zinc/31/14/02/168311402.db2.gz XVYKYYNQMNHNBW-SWLSCSKDSA-N 2 2 339.418 3.251 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103678 168311404 /nfs/dbraw/zinc/31/14/04/168311404.db2.gz XVYKYYNQMNHNBW-SWLSCSKDSA-N 2 2 339.418 3.251 10 0 EGAELP Fc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)c(F)c1 ZINC000179431299 233027084 /nfs/dbraw/zinc/02/70/84/233027084.db2.gz HKQFPLDOMLPCSO-UHFFFAOYSA-N 2 2 343.377 3.408 10 0 EGAELP Fc1ccc2cc[nH+]c(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000354882906 283010812 /nfs/dbraw/zinc/01/08/12/283010812.db2.gz TZQQCXATXROJAN-GOSISDBHSA-N 2 2 343.446 3.455 10 0 EGAELP C[N@H+](CCc1ccccn1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019843900 212075106 /nfs/dbraw/zinc/07/51/06/212075106.db2.gz CKASSMSXVNZDAF-MRXNPFEDSA-N 2 2 334.261 3.018 10 0 EGAELP C[N@@H+](CCc1ccccn1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019843900 212075108 /nfs/dbraw/zinc/07/51/08/212075108.db2.gz CKASSMSXVNZDAF-MRXNPFEDSA-N 2 2 334.261 3.018 10 0 EGAELP CN1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377666254 169057323 /nfs/dbraw/zinc/05/73/23/169057323.db2.gz BHQDWNHZODFYTD-SJORKVTESA-N 2 2 336.842 3.101 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)[nH+]1 ZINC000408462592 169178522 /nfs/dbraw/zinc/17/85/22/169178522.db2.gz DQPBFZLLXKUIMA-WBMJQRKESA-N 2 2 327.432 3.318 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812393 218170159 /nfs/dbraw/zinc/17/01/59/218170159.db2.gz DBDGQBJGLOSWDA-OAHLLOKOSA-N 2 2 345.516 3.318 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812393 218170162 /nfs/dbraw/zinc/17/01/62/218170162.db2.gz DBDGQBJGLOSWDA-OAHLLOKOSA-N 2 2 345.516 3.318 10 0 EGAELP Clc1nc2ccccn2c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812465 218171102 /nfs/dbraw/zinc/17/11/02/218171102.db2.gz DCSVRRZRFQDMIT-AWEZNQCLSA-N 2 2 341.846 3.317 10 0 EGAELP Clc1nc2ccccn2c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812465 218171103 /nfs/dbraw/zinc/17/11/03/218171103.db2.gz DCSVRRZRFQDMIT-AWEZNQCLSA-N 2 2 341.846 3.317 10 0 EGAELP C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211314 220260506 /nfs/dbraw/zinc/26/05/06/220260506.db2.gz IXKNJNXBRDCNQV-HNNXBMFYSA-N 2 2 326.400 3.042 10 0 EGAELP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000095421823 218364444 /nfs/dbraw/zinc/36/44/44/218364444.db2.gz BLNXRMXLYSCSRZ-QGZVFWFLSA-N 2 2 339.483 3.363 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000267495870 251108330 /nfs/dbraw/zinc/10/83/30/251108330.db2.gz QDSBYQXALSOZJD-SFHVURJKSA-N 2 2 343.471 3.083 10 0 EGAELP Brc1cccc2c1OCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000268703054 252154408 /nfs/dbraw/zinc/15/44/08/252154408.db2.gz ANCRLJHMLHBFFB-AWEZNQCLSA-N 2 2 336.233 3.149 10 0 EGAELP CCOc1cccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299739142 258011321 /nfs/dbraw/zinc/01/13/21/258011321.db2.gz LDBSPYWSHBWJSO-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP CCOc1cccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299739142 258011322 /nfs/dbraw/zinc/01/13/22/258011322.db2.gz LDBSPYWSHBWJSO-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696522 141026084 /nfs/dbraw/zinc/02/60/84/141026084.db2.gz MQGGTLCUMIKFJS-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696522 141026089 /nfs/dbraw/zinc/02/60/89/141026089.db2.gz MQGGTLCUMIKFJS-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696522 141026096 /nfs/dbraw/zinc/02/60/96/141026096.db2.gz MQGGTLCUMIKFJS-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696522 141026100 /nfs/dbraw/zinc/02/61/00/141026100.db2.gz MQGGTLCUMIKFJS-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246830488 141037423 /nfs/dbraw/zinc/03/74/23/141037423.db2.gz BQIFHQZLISNEGR-KDOFPFPSSA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246830488 141037424 /nfs/dbraw/zinc/03/74/24/141037424.db2.gz BQIFHQZLISNEGR-KDOFPFPSSA-N 2 2 330.476 3.105 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000354599303 141313371 /nfs/dbraw/zinc/31/33/71/141313371.db2.gz LLZPCGGWQULQLI-INIZCTEOSA-N 2 2 344.503 3.225 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000354599303 141313372 /nfs/dbraw/zinc/31/33/72/141313372.db2.gz LLZPCGGWQULQLI-INIZCTEOSA-N 2 2 344.503 3.225 10 0 EGAELP CC(C)C[C@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752866 144027210 /nfs/dbraw/zinc/02/72/10/144027210.db2.gz ROCVTJGROBJXES-SFHVURJKSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1F ZINC000187125660 144153264 /nfs/dbraw/zinc/15/32/64/144153264.db2.gz WGXIITSJJUIEML-HNNXBMFYSA-N 2 2 333.382 3.207 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccc(F)cc1F ZINC000187125660 144153266 /nfs/dbraw/zinc/15/32/66/144153266.db2.gz WGXIITSJJUIEML-HNNXBMFYSA-N 2 2 333.382 3.207 10 0 EGAELP CO[C@@H](CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C(F)(F)F ZINC000344790646 144224977 /nfs/dbraw/zinc/22/49/77/144224977.db2.gz IAQRBVVWCHHBJI-HNNXBMFYSA-N 2 2 327.350 3.238 10 0 EGAELP CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)s1 ZINC000119225789 152185318 /nfs/dbraw/zinc/18/53/18/152185318.db2.gz NZLPCBVGCQHBTC-UHFFFAOYSA-N 2 2 344.484 3.364 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120706638 152294264 /nfs/dbraw/zinc/29/42/64/152294264.db2.gz JSXMCEODVJSBQV-OAQYLSRUSA-N 2 2 344.499 3.305 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188657198 153026763 /nfs/dbraw/zinc/02/67/63/153026763.db2.gz FZIZUELQILMXRK-YYWHXJBOSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188657198 153026766 /nfs/dbraw/zinc/02/67/66/153026766.db2.gz FZIZUELQILMXRK-YYWHXJBOSA-N 2 2 345.531 3.213 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC000191343961 153189216 /nfs/dbraw/zinc/18/92/16/153189216.db2.gz ZQLXJLCHCGLRKM-QGZVFWFLSA-N 2 2 327.476 3.134 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC000191343961 153189219 /nfs/dbraw/zinc/18/92/19/153189219.db2.gz ZQLXJLCHCGLRKM-QGZVFWFLSA-N 2 2 327.476 3.134 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000191978560 153235581 /nfs/dbraw/zinc/23/55/81/153235581.db2.gz IUCXNHQZIIJJBW-UHFFFAOYSA-N 2 2 335.455 3.294 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1Cl ZINC000305890188 154137229 /nfs/dbraw/zinc/13/72/29/154137229.db2.gz LCLRKIBUMAODDI-UHFFFAOYSA-N 2 2 345.874 3.438 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1Cl ZINC000305890188 154137235 /nfs/dbraw/zinc/13/72/35/154137235.db2.gz LCLRKIBUMAODDI-UHFFFAOYSA-N 2 2 345.874 3.438 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000336858017 154219360 /nfs/dbraw/zinc/21/93/60/154219360.db2.gz WNEFBAVFMGWCLP-CQSZACIVSA-N 2 2 325.522 3.404 10 0 EGAELP O=C(CC1CCCCC1)NCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341056583 155130644 /nfs/dbraw/zinc/13/06/44/155130644.db2.gz ZLMZQVRNANRNDM-UHFFFAOYSA-N 2 2 346.500 3.110 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000368694989 157266894 /nfs/dbraw/zinc/26/68/94/157266894.db2.gz QFYYDUGYNBEVHE-KRWDZBQOSA-N 2 2 348.450 3.071 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000368694989 157266897 /nfs/dbraw/zinc/26/68/97/157266897.db2.gz QFYYDUGYNBEVHE-KRWDZBQOSA-N 2 2 348.450 3.071 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106908828 162064057 /nfs/dbraw/zinc/06/40/57/162064057.db2.gz KPYNACHOCOHQFA-LJQANCHMSA-N 2 2 348.450 3.199 10 0 EGAELP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000248406290 163001300 /nfs/dbraw/zinc/00/13/00/163001300.db2.gz SFPINVGBBLVFFH-ACRUOGEOSA-N 3 2 338.499 3.164 10 0 EGAELP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000248406290 163001304 /nfs/dbraw/zinc/00/13/04/163001304.db2.gz SFPINVGBBLVFFH-ACRUOGEOSA-N 3 2 338.499 3.164 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636167 163023919 /nfs/dbraw/zinc/02/39/19/163023919.db2.gz UUBPNCJGFUMZAP-JKSUJKDBSA-N 2 2 328.485 3.121 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636167 163023923 /nfs/dbraw/zinc/02/39/23/163023923.db2.gz UUBPNCJGFUMZAP-JKSUJKDBSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636167 163023926 /nfs/dbraw/zinc/02/39/26/163023926.db2.gz UUBPNCJGFUMZAP-JKSUJKDBSA-N 2 2 328.485 3.121 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636167 163023927 /nfs/dbraw/zinc/02/39/27/163023927.db2.gz UUBPNCJGFUMZAP-JKSUJKDBSA-N 2 2 328.485 3.121 10 0 EGAELP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000343642520 164001191 /nfs/dbraw/zinc/00/11/91/164001191.db2.gz SVTDYUULUAUXDE-UHFFFAOYSA-N 2 2 341.503 3.281 10 0 EGAELP COc1c(C)cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1C ZINC000343653842 164004693 /nfs/dbraw/zinc/00/46/93/164004693.db2.gz GFZBNFSNHDWLPB-UHFFFAOYSA-N 2 2 325.456 3.338 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C[C@@H]3CC=CCC3)c2cc1C ZINC000344029817 164086133 /nfs/dbraw/zinc/08/61/33/164086133.db2.gz AYQCAGSTPKFWAF-MSOLQXFVSA-N 2 2 327.472 3.302 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C[C@@H]3CC=CCC3)c2cc1C ZINC000344029817 164086136 /nfs/dbraw/zinc/08/61/36/164086136.db2.gz AYQCAGSTPKFWAF-MSOLQXFVSA-N 2 2 327.472 3.302 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169703 164355828 /nfs/dbraw/zinc/35/58/28/164355828.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169703 164355829 /nfs/dbraw/zinc/35/58/29/164355829.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169703 164355830 /nfs/dbraw/zinc/35/58/30/164355830.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169703 164355831 /nfs/dbraw/zinc/35/58/31/164355831.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 3 2 342.512 3.383 10 0 EGAELP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000346356269 164374428 /nfs/dbraw/zinc/37/44/28/164374428.db2.gz XUUYJMYFVHHNPI-OAHLLOKOSA-N 2 2 332.879 3.224 10 0 EGAELP Cc1[nH+]ccn1CCN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000346356269 164374430 /nfs/dbraw/zinc/37/44/30/164374430.db2.gz XUUYJMYFVHHNPI-OAHLLOKOSA-N 2 2 332.879 3.224 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000354886746 166055734 /nfs/dbraw/zinc/05/57/34/166055734.db2.gz PNGVNNLHWJSROD-LJQANCHMSA-N 2 2 343.515 3.084 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000354886746 166055735 /nfs/dbraw/zinc/05/57/35/166055735.db2.gz PNGVNNLHWJSROD-LJQANCHMSA-N 2 2 343.515 3.084 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354954119 166072954 /nfs/dbraw/zinc/07/29/54/166072954.db2.gz SIMFJIMHKTWYSG-FUHWJXTLSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354954119 166072958 /nfs/dbraw/zinc/07/29/58/166072958.db2.gz SIMFJIMHKTWYSG-FUHWJXTLSA-N 2 2 340.471 3.026 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1OC ZINC000353910883 165919906 /nfs/dbraw/zinc/91/99/06/165919906.db2.gz AOBDDYPLELDNPT-UHFFFAOYSA-N 2 2 335.835 3.460 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000355644516 166270483 /nfs/dbraw/zinc/27/04/83/166270483.db2.gz AGBBVZSEKHJIHE-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP CCCOc1c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cccc1OCC ZINC000368082250 168308270 /nfs/dbraw/zinc/30/82/70/168308270.db2.gz UOAMQXMDFVZIBK-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP CCCOc1c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cccc1OCC ZINC000368082250 168308273 /nfs/dbraw/zinc/30/82/73/168308273.db2.gz UOAMQXMDFVZIBK-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000122880466 222176790 /nfs/dbraw/zinc/17/67/90/222176790.db2.gz LZRSJLHQWKXKOE-GOSISDBHSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000122880466 222176792 /nfs/dbraw/zinc/17/67/92/222176792.db2.gz LZRSJLHQWKXKOE-GOSISDBHSA-N 2 2 326.444 3.241 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123090900 222214174 /nfs/dbraw/zinc/21/41/74/222214174.db2.gz IYMSCJSQOFFCII-QAPCUYQASA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123090900 222214177 /nfs/dbraw/zinc/21/41/77/222214177.db2.gz IYMSCJSQOFFCII-QAPCUYQASA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090900 222214180 /nfs/dbraw/zinc/21/41/80/222214180.db2.gz IYMSCJSQOFFCII-QAPCUYQASA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090900 222214183 /nfs/dbraw/zinc/21/41/83/222214183.db2.gz IYMSCJSQOFFCII-QAPCUYQASA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000124047317 222368520 /nfs/dbraw/zinc/36/85/20/222368520.db2.gz LIWRPAWRBDSQGJ-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000124047317 222368521 /nfs/dbraw/zinc/36/85/21/222368521.db2.gz LIWRPAWRBDSQGJ-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047317 222368522 /nfs/dbraw/zinc/36/85/22/222368522.db2.gz LIWRPAWRBDSQGJ-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047317 222368524 /nfs/dbraw/zinc/36/85/24/222368524.db2.gz LIWRPAWRBDSQGJ-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP CC(C)c1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)nc(C(C)C)[nH+]1 ZINC000269924437 266383317 /nfs/dbraw/zinc/38/33/17/266383317.db2.gz BLZYTUPCEKSIPJ-UHFFFAOYSA-N 2 2 340.475 3.027 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000341913654 273775317 /nfs/dbraw/zinc/77/53/17/273775317.db2.gz UYCDMOWVWDSOMK-UHFFFAOYSA-N 2 2 337.471 3.441 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822092 275181709 /nfs/dbraw/zinc/18/17/09/275181709.db2.gz KVNWRNIIUHVKPN-SJORKVTESA-N 2 2 337.305 3.380 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822092 275181710 /nfs/dbraw/zinc/18/17/10/275181710.db2.gz KVNWRNIIUHVKPN-SJORKVTESA-N 2 2 337.305 3.380 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278707948 275267235 /nfs/dbraw/zinc/26/72/35/275267235.db2.gz LJZFUGSILMDXAL-OWZKRDHZSA-N 3 2 327.516 3.256 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000278707948 275267238 /nfs/dbraw/zinc/26/72/38/275267238.db2.gz LJZFUGSILMDXAL-OWZKRDHZSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701175 276380463 /nfs/dbraw/zinc/38/04/63/276380463.db2.gz IQDVYYUWGPJDGW-IEBWSBKVSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701175 276380464 /nfs/dbraw/zinc/38/04/64/276380464.db2.gz IQDVYYUWGPJDGW-IEBWSBKVSA-N 2 2 338.499 3.148 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000374287320 279280225 /nfs/dbraw/zinc/28/02/25/279280225.db2.gz KOFRFVZLJYWZAG-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000374287320 279280226 /nfs/dbraw/zinc/28/02/26/279280226.db2.gz KOFRFVZLJYWZAG-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000414107930 309061320 /nfs/dbraw/zinc/06/13/20/309061320.db2.gz SUXJLCBRSYQUSL-QSFXBCCZSA-N 2 2 325.456 3.056 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000414107930 309061321 /nfs/dbraw/zinc/06/13/21/309061321.db2.gz SUXJLCBRSYQUSL-QSFXBCCZSA-N 2 2 325.456 3.056 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162654 309064048 /nfs/dbraw/zinc/06/40/48/309064048.db2.gz DOLRJEQAFMVVNI-UTKZUKDTSA-N 3 2 334.467 3.335 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162654 309064049 /nfs/dbraw/zinc/06/40/49/309064049.db2.gz DOLRJEQAFMVVNI-UTKZUKDTSA-N 3 2 334.467 3.335 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000248684141 308009389 /nfs/dbraw/zinc/00/93/89/308009389.db2.gz FQPAGFQCHQAEBS-JYJNAYRXSA-N 2 2 336.524 3.096 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985950 308029399 /nfs/dbraw/zinc/02/93/99/308029399.db2.gz ZEPHRXGESWLLSF-JXFKEZNVSA-N 2 2 344.478 3.233 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985950 308029400 /nfs/dbraw/zinc/02/94/00/308029400.db2.gz ZEPHRXGESWLLSF-JXFKEZNVSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985950 308029401 /nfs/dbraw/zinc/02/94/01/308029401.db2.gz ZEPHRXGESWLLSF-JXFKEZNVSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985950 308029402 /nfs/dbraw/zinc/02/94/02/308029402.db2.gz ZEPHRXGESWLLSF-JXFKEZNVSA-N 2 2 344.478 3.233 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000294904795 308269957 /nfs/dbraw/zinc/26/99/57/308269957.db2.gz HPZZOWGLILNEHA-ZYHUDNBSSA-N 2 2 341.278 3.185 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000414733456 309097934 /nfs/dbraw/zinc/09/79/34/309097934.db2.gz BBGIOKITKGTBKD-MAUKXSAKSA-N 2 2 349.906 3.461 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000414806715 309102604 /nfs/dbraw/zinc/10/26/04/309102604.db2.gz HZOYOAQYJBEQHL-VIFPVBQESA-N 2 2 326.263 3.215 10 0 EGAELP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414884161 309107140 /nfs/dbraw/zinc/10/71/40/309107140.db2.gz USRXQGHQDLWODW-NQIIRXRSSA-N 3 2 344.547 3.194 10 0 EGAELP CC[C@H]([NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414976518 309112570 /nfs/dbraw/zinc/11/25/70/309112570.db2.gz IBAZZWFRFXHZPI-LBPRGKRZSA-N 2 2 340.290 3.400 10 0 EGAELP COc1ccc([C@H](C[NH2+]C[C@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085389 309119368 /nfs/dbraw/zinc/11/93/68/309119368.db2.gz QCGYZQSDIJTLMT-QUCCMNQESA-N 2 2 333.520 3.185 10 0 EGAELP CCn1c[nH+]cc1CNc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000417838858 309224665 /nfs/dbraw/zinc/22/46/65/309224665.db2.gz QWKVZLIUKWGHOE-HZPDHXFCSA-N 2 2 328.460 3.124 10 0 EGAELP COc1c(C)c[nH+]c(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)c1C ZINC000419403950 309266790 /nfs/dbraw/zinc/26/67/90/309266790.db2.gz SEXDWYWYDFYASX-QGZVFWFLSA-N 2 2 341.455 3.454 10 0 EGAELP COc1c(C)c[nH+]c(C[N@H+]2CCC[C@@H]2COc2cccnc2C)c1C ZINC000419403950 309266791 /nfs/dbraw/zinc/26/67/91/309266791.db2.gz SEXDWYWYDFYASX-QGZVFWFLSA-N 2 2 341.455 3.454 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367924 309284557 /nfs/dbraw/zinc/28/45/57/309284557.db2.gz KBQFDUIMTGQUOE-IFMALSPDSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367924 309284558 /nfs/dbraw/zinc/28/45/58/309284558.db2.gz KBQFDUIMTGQUOE-IFMALSPDSA-N 2 2 349.478 3.442 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383943 309285521 /nfs/dbraw/zinc/28/55/21/309285521.db2.gz SYTQKVWDRVQYCY-IBGZPJMESA-N 2 2 344.480 3.263 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383943 309285522 /nfs/dbraw/zinc/28/55/22/309285522.db2.gz SYTQKVWDRVQYCY-IBGZPJMESA-N 2 2 344.480 3.263 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385130 309285814 /nfs/dbraw/zinc/28/58/14/309285814.db2.gz FFXNKDJDIZIHDX-PKOBYXMFSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385130 309285815 /nfs/dbraw/zinc/28/58/15/309285815.db2.gz FFXNKDJDIZIHDX-PKOBYXMFSA-N 2 2 329.488 3.213 10 0 EGAELP Cn1cc(Cl)c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000420950488 309303463 /nfs/dbraw/zinc/30/34/63/309303463.db2.gz RFKIZNVXYLDOFG-UHFFFAOYSA-N 2 2 347.894 3.207 10 0 EGAELP Cn1cc(Cl)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000420950488 309303464 /nfs/dbraw/zinc/30/34/64/309303464.db2.gz RFKIZNVXYLDOFG-UHFFFAOYSA-N 2 2 347.894 3.207 10 0 EGAELP COc1ccc(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422731574 309365777 /nfs/dbraw/zinc/36/57/77/309365777.db2.gz NPVNNTXQMBKAFD-RTWAWAEBSA-N 2 2 340.467 3.329 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC[C@H]2CCOC2)c1 ZINC000422858577 309372332 /nfs/dbraw/zinc/37/23/32/309372332.db2.gz GNJIWNPFYNIHKD-HOTGVXAUSA-N 2 2 341.455 3.069 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939894 309377091 /nfs/dbraw/zinc/37/70/91/309377091.db2.gz GHAALIZGQPCQIA-JOYOIKCWSA-N 2 2 349.219 3.138 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422950891 309377754 /nfs/dbraw/zinc/37/77/54/309377754.db2.gz WYWNLNYQTDPTNX-PMACEKPBSA-N 2 2 344.430 3.296 10 0 EGAELP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000422992208 309379737 /nfs/dbraw/zinc/37/97/37/309379737.db2.gz CFWDQJBOXGXPSF-LCLWPZTBSA-N 2 2 332.488 3.042 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422997136 309380076 /nfs/dbraw/zinc/38/00/76/309380076.db2.gz ANWUGPNXSZYEMC-CEXWTWQISA-N 2 2 334.504 3.121 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423062692 309383918 /nfs/dbraw/zinc/38/39/18/309383918.db2.gz NMIXWLVXWLPADS-JTQLQIEISA-N 2 2 336.233 3.116 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423075911 309384573 /nfs/dbraw/zinc/38/45/73/309384573.db2.gz XXWALXWBLTZDRO-MISXGVKJSA-N 2 2 327.266 3.249 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423075908 309384663 /nfs/dbraw/zinc/38/46/63/309384663.db2.gz XXWALXWBLTZDRO-COPLHBTASA-N 2 2 327.266 3.249 10 0 EGAELP Clc1ccc(CCCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000423105108 309386042 /nfs/dbraw/zinc/38/60/42/309386042.db2.gz NCTHPMCUSALYQN-ZBFHGGJFSA-N 2 2 328.909 3.081 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000423237544 309391814 /nfs/dbraw/zinc/39/18/14/309391814.db2.gz UJKNLKWMHYTLKT-CYBMUJFWSA-N 2 2 348.397 3.266 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423253608 309392446 /nfs/dbraw/zinc/39/24/46/309392446.db2.gz ZCNBCQHXSYRWPX-RKVPGOIHSA-N 2 2 328.456 3.485 10 0 EGAELP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000447527083 309980860 /nfs/dbraw/zinc/98/08/60/309980860.db2.gz DCVDLSZBXVTNIZ-CQSZACIVSA-N 2 2 339.395 3.162 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449248964 310047427 /nfs/dbraw/zinc/04/74/27/310047427.db2.gz KGAUOQUTFFJLQW-FXAWDEMLSA-N 2 2 344.499 3.110 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449248964 310047428 /nfs/dbraw/zinc/04/74/28/310047428.db2.gz KGAUOQUTFFJLQW-FXAWDEMLSA-N 2 2 344.499 3.110 10 0 EGAELP Cc1ccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c[nH+]1 ZINC000449422683 310060798 /nfs/dbraw/zinc/06/07/98/310060798.db2.gz NEAJNRLBXFLDEM-VQTJNVASSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c[nH+]1 ZINC000449422683 310060799 /nfs/dbraw/zinc/06/07/99/310060799.db2.gz NEAJNRLBXFLDEM-VQTJNVASSA-N 2 2 328.431 3.123 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392872 310058511 /nfs/dbraw/zinc/05/85/11/310058511.db2.gz LJEGMLVOTNHJJR-KGLIPLIRSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392872 310058512 /nfs/dbraw/zinc/05/85/12/310058512.db2.gz LJEGMLVOTNHJJR-KGLIPLIRSA-N 2 2 330.394 3.203 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419321 310060199 /nfs/dbraw/zinc/06/01/99/310060199.db2.gz HIFGSRGOFVNJAR-PMACEKPBSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419321 310060200 /nfs/dbraw/zinc/06/02/00/310060200.db2.gz HIFGSRGOFVNJAR-PMACEKPBSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1ccc(CCC[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c[nH+]1 ZINC000449666104 310079040 /nfs/dbraw/zinc/07/90/40/310079040.db2.gz ONPBTZCUFKKBMM-AWEZNQCLSA-N 2 2 329.410 3.139 10 0 EGAELP Cc1ccc(CCC[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c[nH+]1 ZINC000449666104 310079041 /nfs/dbraw/zinc/07/90/41/310079041.db2.gz ONPBTZCUFKKBMM-AWEZNQCLSA-N 2 2 329.410 3.139 10 0 EGAELP CCc1ccc2[nH+]ccc(N3CCN(c4cc[nH+]c(C)n4)CC3)c2c1 ZINC000450435548 310122513 /nfs/dbraw/zinc/12/25/13/310122513.db2.gz FEDCFJIXTDTVFT-UHFFFAOYSA-N 2 2 333.439 3.222 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265716 310268101 /nfs/dbraw/zinc/26/81/01/310268101.db2.gz NTFVJKKBAWQSAS-SJLPKXTDSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265716 310268102 /nfs/dbraw/zinc/26/81/02/310268102.db2.gz NTFVJKKBAWQSAS-SJLPKXTDSA-N 2 2 334.504 3.361 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453356072 310272712 /nfs/dbraw/zinc/27/27/12/310272712.db2.gz HSWKCISZDDKBJE-REPLKXPHSA-N 2 2 337.467 3.375 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453356072 310272713 /nfs/dbraw/zinc/27/27/13/310272713.db2.gz HSWKCISZDDKBJE-REPLKXPHSA-N 2 2 337.467 3.375 10 0 EGAELP CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000453624247 310285373 /nfs/dbraw/zinc/28/53/73/310285373.db2.gz PWANUPVBZAJGFO-SFHVURJKSA-N 2 2 347.484 3.488 10 0 EGAELP CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000453624247 310285374 /nfs/dbraw/zinc/28/53/74/310285374.db2.gz PWANUPVBZAJGFO-SFHVURJKSA-N 2 2 347.484 3.488 10 0 EGAELP COCC[N@H+](Cc1scnc1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489452671 311106567 /nfs/dbraw/zinc/10/65/67/311106567.db2.gz WSFJMUNZYPYMKI-UHFFFAOYSA-N 2 2 342.468 3.286 10 0 EGAELP COCC[N@@H+](Cc1scnc1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489452671 311106569 /nfs/dbraw/zinc/10/65/69/311106569.db2.gz WSFJMUNZYPYMKI-UHFFFAOYSA-N 2 2 342.468 3.286 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059000 311162315 /nfs/dbraw/zinc/16/23/15/311162315.db2.gz QGGFBNGFWWCFJD-RTBURBONSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059000 311162317 /nfs/dbraw/zinc/16/23/17/311162317.db2.gz QGGFBNGFWWCFJD-RTBURBONSA-N 2 2 337.552 3.269 10 0 EGAELP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059715 311162649 /nfs/dbraw/zinc/16/26/49/311162649.db2.gz UEGWOLXEYCPYJJ-LJQANCHMSA-N 2 2 343.515 3.237 10 0 EGAELP CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059715 311162650 /nfs/dbraw/zinc/16/26/50/311162650.db2.gz UEGWOLXEYCPYJJ-LJQANCHMSA-N 2 2 343.515 3.237 10 0 EGAELP Cc1cc(NCC2([NH+](C)C)CCCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000515582479 312290312 /nfs/dbraw/zinc/29/03/12/312290312.db2.gz WWXWOUVKRQRCMN-UHFFFAOYSA-N 2 2 339.487 3.335 10 0 EGAELP CCC(CC)[C@@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)[NH+](C)C ZINC000520025623 312490766 /nfs/dbraw/zinc/49/07/66/312490766.db2.gz WTPGCCLPSNNQPQ-QGZVFWFLSA-N 2 2 327.476 3.047 10 0 EGAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1Br ZINC000070143117 454167347 /nfs/dbraw/zinc/16/73/47/454167347.db2.gz MYMZTELZIUUONJ-NSHDSACASA-N 2 2 337.265 3.099 10 0 EGAELP C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533531522 313916439 /nfs/dbraw/zinc/91/64/39/313916439.db2.gz KCEGULULDCQHGG-CQSZACIVSA-N 2 2 345.878 3.079 10 0 EGAELP Cn1ccc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccc(F)cc2)n1 ZINC000538292576 314237959 /nfs/dbraw/zinc/23/79/59/314237959.db2.gz VTPUBTABPLLXON-HXUWFJFHSA-N 2 2 349.413 3.129 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000565060220 316258320 /nfs/dbraw/zinc/25/83/20/316258320.db2.gz FGUXPPVLTWOXKM-UHFFFAOYSA-N 2 2 330.394 3.214 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000572438957 317339091 /nfs/dbraw/zinc/33/90/91/317339091.db2.gz DUVFQJUTZBCFPH-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000572438957 317339094 /nfs/dbraw/zinc/33/90/94/317339094.db2.gz DUVFQJUTZBCFPH-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP c1ccc(CCOCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641924 323245041 /nfs/dbraw/zinc/24/50/41/323245041.db2.gz BSXQAMAAPIQZHB-HXUWFJFHSA-N 2 2 339.483 3.465 10 0 EGAELP c1ccc(CCOCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641924 323245043 /nfs/dbraw/zinc/24/50/43/323245043.db2.gz BSXQAMAAPIQZHB-HXUWFJFHSA-N 2 2 339.483 3.465 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576396200 324606323 /nfs/dbraw/zinc/60/63/23/324606323.db2.gz ZNVGCFWWCATHQP-IEBWSBKVSA-N 2 2 343.858 3.148 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000579022877 325052137 /nfs/dbraw/zinc/05/21/37/325052137.db2.gz CVKJTGKPGKEARB-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000579022877 325052139 /nfs/dbraw/zinc/05/21/39/325052139.db2.gz CVKJTGKPGKEARB-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081711 325201301 /nfs/dbraw/zinc/20/13/01/325201301.db2.gz XYYSJHWHXSIAAK-PKOBYXMFSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081711 325201305 /nfs/dbraw/zinc/20/13/05/325201305.db2.gz XYYSJHWHXSIAAK-PKOBYXMFSA-N 2 2 340.471 3.005 10 0 EGAELP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000580223173 325220844 /nfs/dbraw/zinc/22/08/44/325220844.db2.gz AWNTYCYHUOYMAV-RTWAWAEBSA-N 2 2 340.467 3.499 10 0 EGAELP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000580223173 325220849 /nfs/dbraw/zinc/22/08/49/325220849.db2.gz AWNTYCYHUOYMAV-RTWAWAEBSA-N 2 2 340.467 3.499 10 0 EGAELP Cc1cccn2c(CNc3cc[nH+]c(C)c3Br)c[nH+]c12 ZINC000580749983 325290922 /nfs/dbraw/zinc/29/09/22/325290922.db2.gz VKZPJCOTSFRWIY-UHFFFAOYSA-N 2 2 331.217 3.143 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCCC[NH+](C)C)c(C)c1 ZINC000581349114 325353611 /nfs/dbraw/zinc/35/36/11/325353611.db2.gz DDBLVCLEGWJCPS-IBGZPJMESA-N 2 2 342.487 3.089 10 0 EGAELP Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661125 455220471 /nfs/dbraw/zinc/22/04/71/455220471.db2.gz KCZCHKNSSYTPAN-INIZCTEOSA-N 2 2 334.423 3.470 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672691 455223820 /nfs/dbraw/zinc/22/38/20/455223820.db2.gz YTEKKYDGJCZEIK-CVEARBPZSA-N 2 2 340.471 3.360 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2nccn2CCc2ccccc2)CC1(C)C ZINC000623442295 460552538 /nfs/dbraw/zinc/55/25/38/460552538.db2.gz ILFINGJMBDLLPK-GOSISDBHSA-N 2 2 326.488 3.088 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2nccn2CCc2ccccc2)CC1(C)C ZINC000623442295 460552543 /nfs/dbraw/zinc/55/25/43/460552543.db2.gz ILFINGJMBDLLPK-GOSISDBHSA-N 2 2 326.488 3.088 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000600712271 460575343 /nfs/dbraw/zinc/57/53/43/460575343.db2.gz WOQUYUIZCMMJFD-FGTMMUONSA-N 2 2 328.456 3.042 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245578747 455334147 /nfs/dbraw/zinc/33/41/47/455334147.db2.gz IHCHCUSUTSJOQY-RHSMWYFYSA-N 2 2 344.484 3.127 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245578747 455334152 /nfs/dbraw/zinc/33/41/52/455334152.db2.gz IHCHCUSUTSJOQY-RHSMWYFYSA-N 2 2 344.484 3.127 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510701 460588942 /nfs/dbraw/zinc/58/89/42/460588942.db2.gz HJYGGVMBROYOCK-QQFBHYJXSA-N 3 2 347.469 3.254 10 0 EGAELP COc1cc2c(c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000245683438 455355419 /nfs/dbraw/zinc/35/54/19/455355419.db2.gz ACNCSXPIYKJOMV-KSSFIOAISA-N 2 2 341.455 3.188 10 0 EGAELP COc1cc2c(c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000245683438 455355425 /nfs/dbraw/zinc/35/54/25/455355425.db2.gz ACNCSXPIYKJOMV-KSSFIOAISA-N 2 2 341.455 3.188 10 0 EGAELP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623559540 460611800 /nfs/dbraw/zinc/61/18/00/460611800.db2.gz FPDLCJZNKBHGPF-ROUUACIJSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559540 460611803 /nfs/dbraw/zinc/61/18/03/460611803.db2.gz FPDLCJZNKBHGPF-ROUUACIJSA-N 2 2 326.488 3.166 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573514 460620390 /nfs/dbraw/zinc/62/03/90/460620390.db2.gz LLATVYORUBSINA-FZMZJTMJSA-N 2 2 331.287 3.489 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573514 460620391 /nfs/dbraw/zinc/62/03/91/460620391.db2.gz LLATVYORUBSINA-FZMZJTMJSA-N 2 2 331.287 3.489 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000076003529 453948101 /nfs/dbraw/zinc/94/81/01/453948101.db2.gz ALGYBUADGRVWIE-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000076003529 453948103 /nfs/dbraw/zinc/94/81/03/453948103.db2.gz ALGYBUADGRVWIE-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP CCOc1cc2c(cc1C[NH2+]C[C@H]1CCCn3cc[nH+]c31)O[C@H](C)C2 ZINC000084805224 454011172 /nfs/dbraw/zinc/01/11/72/454011172.db2.gz HJPOGPKEYGCBHO-HUUCEWRRSA-N 2 2 341.455 3.272 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000132992783 454384333 /nfs/dbraw/zinc/38/43/33/454384333.db2.gz APEWBCZLCNFJAP-MRXNPFEDSA-N 2 2 349.906 3.019 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000132992783 454384334 /nfs/dbraw/zinc/38/43/34/454384334.db2.gz APEWBCZLCNFJAP-MRXNPFEDSA-N 2 2 349.906 3.019 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185742 454403755 /nfs/dbraw/zinc/40/37/55/454403755.db2.gz RKAQJQIBSRGGMY-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185742 454403759 /nfs/dbraw/zinc/40/37/59/454403759.db2.gz RKAQJQIBSRGGMY-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185742 454403762 /nfs/dbraw/zinc/40/37/62/454403762.db2.gz RKAQJQIBSRGGMY-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185742 454403764 /nfs/dbraw/zinc/40/37/64/454403764.db2.gz RKAQJQIBSRGGMY-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP COc1ccc2oc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc2c1 ZINC000092091268 454518884 /nfs/dbraw/zinc/51/88/84/454518884.db2.gz JEZNDTAGXLLNFS-HNNXBMFYSA-N 2 2 344.455 3.127 10 0 EGAELP COc1ccc2oc(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc2c1 ZINC000092091268 454518892 /nfs/dbraw/zinc/51/88/92/454518892.db2.gz JEZNDTAGXLLNFS-HNNXBMFYSA-N 2 2 344.455 3.127 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080959269 454657394 /nfs/dbraw/zinc/65/73/94/454657394.db2.gz DKMVJISUBDBGSB-AWEZNQCLSA-N 2 2 325.391 3.114 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080959269 454657397 /nfs/dbraw/zinc/65/73/97/454657397.db2.gz DKMVJISUBDBGSB-AWEZNQCLSA-N 2 2 325.391 3.114 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000105896633 454666669 /nfs/dbraw/zinc/66/66/69/454666669.db2.gz LCWUQBBINJYJSJ-GJZGRUSLSA-N 2 2 346.500 3.021 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000105896633 454666673 /nfs/dbraw/zinc/66/66/73/454666673.db2.gz LCWUQBBINJYJSJ-GJZGRUSLSA-N 2 2 346.500 3.021 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(=O)OC)C1 ZINC000106212317 454685650 /nfs/dbraw/zinc/68/56/50/454685650.db2.gz CUNLRWNJVXVTFB-INIZCTEOSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(=O)OC)C1 ZINC000106212317 454685653 /nfs/dbraw/zinc/68/56/53/454685653.db2.gz CUNLRWNJVXVTFB-INIZCTEOSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC000106216242 454685667 /nfs/dbraw/zinc/68/56/67/454685667.db2.gz LHVRCRMGRQIKQH-KRWDZBQOSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC000106216242 454685670 /nfs/dbraw/zinc/68/56/70/454685670.db2.gz LHVRCRMGRQIKQH-KRWDZBQOSA-N 2 2 327.428 3.069 10 0 EGAELP CC(C)Cn1ccnc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000164781235 454889314 /nfs/dbraw/zinc/88/93/14/454889314.db2.gz FWVZIKKQDGKPSM-UHFFFAOYSA-N 2 2 340.515 3.336 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000151114570 454940485 /nfs/dbraw/zinc/94/04/85/454940485.db2.gz OXECHNFLOWUTDK-OAHLLOKOSA-N 2 2 347.484 3.439 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000151114570 454940488 /nfs/dbraw/zinc/94/04/88/454940488.db2.gz OXECHNFLOWUTDK-OAHLLOKOSA-N 2 2 347.484 3.439 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151311541 454967622 /nfs/dbraw/zinc/96/76/22/454967622.db2.gz RSVMDNNDESRAOJ-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000151326064 454968752 /nfs/dbraw/zinc/96/87/52/454968752.db2.gz XOUHZUNHRNHEEI-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000151334051 454970760 /nfs/dbraw/zinc/97/07/60/454970760.db2.gz LEFGCRVTLABLEP-RDJZCZTQSA-N 2 2 345.512 3.308 10 0 EGAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc(C)c1O ZINC000191575674 455498769 /nfs/dbraw/zinc/49/87/69/455498769.db2.gz VVSYXFSHUSHDFH-UHFFFAOYSA-N 2 2 339.483 3.201 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127734159 454992646 /nfs/dbraw/zinc/99/26/46/454992646.db2.gz JSEZULKHUWBRQS-UHFFFAOYSA-N 2 2 328.435 3.276 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171925049 455102499 /nfs/dbraw/zinc/10/24/99/455102499.db2.gz BSROMFXIOLLALI-IBGZPJMESA-N 2 2 330.472 3.099 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129654597 455120268 /nfs/dbraw/zinc/12/02/68/455120268.db2.gz HOVWNMZFYVOKJM-ZWKOTPCHSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129654597 455120271 /nfs/dbraw/zinc/12/02/71/455120271.db2.gz HOVWNMZFYVOKJM-ZWKOTPCHSA-N 2 2 334.508 3.195 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000180133228 455137432 /nfs/dbraw/zinc/13/74/32/455137432.db2.gz CGIWCNSEDDEDKD-LJQANCHMSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000180133228 455137436 /nfs/dbraw/zinc/13/74/36/455137436.db2.gz CGIWCNSEDDEDKD-LJQANCHMSA-N 2 2 339.418 3.181 10 0 EGAELP COCCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180133417 455138062 /nfs/dbraw/zinc/13/80/62/455138062.db2.gz MMHKBJVXWQDUOJ-IBGZPJMESA-N 2 2 343.471 3.271 10 0 EGAELP COCCCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180133417 455138063 /nfs/dbraw/zinc/13/80/63/455138063.db2.gz MMHKBJVXWQDUOJ-IBGZPJMESA-N 2 2 343.471 3.271 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416026 455292235 /nfs/dbraw/zinc/29/22/35/455292235.db2.gz DTZMFRLPUDNLFI-BXWFABGCSA-N 2 2 349.494 3.007 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416026 455292238 /nfs/dbraw/zinc/29/22/38/455292238.db2.gz DTZMFRLPUDNLFI-BXWFABGCSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416026 455292242 /nfs/dbraw/zinc/29/22/42/455292242.db2.gz DTZMFRLPUDNLFI-BXWFABGCSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416026 455292246 /nfs/dbraw/zinc/29/22/46/455292246.db2.gz DTZMFRLPUDNLFI-BXWFABGCSA-N 2 2 349.494 3.007 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245562804 455331809 /nfs/dbraw/zinc/33/18/09/455331809.db2.gz CSIHYAZNYSNNSM-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245562804 455331814 /nfs/dbraw/zinc/33/18/14/455331814.db2.gz CSIHYAZNYSNNSM-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cccc2ccccc21 ZINC000265551000 455342768 /nfs/dbraw/zinc/34/27/68/455342768.db2.gz YMFDXLKITXWEAT-UHFFFAOYSA-N 2 2 334.423 3.381 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Br)C1 ZINC000181527029 455349864 /nfs/dbraw/zinc/34/98/64/455349864.db2.gz WFTZXKLGKHTELS-QWHCGFSZSA-N 2 2 341.293 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Br)C1 ZINC000181527029 455349865 /nfs/dbraw/zinc/34/98/65/455349865.db2.gz WFTZXKLGKHTELS-QWHCGFSZSA-N 2 2 341.293 3.450 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000245844205 455384736 /nfs/dbraw/zinc/38/47/36/455384736.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000245844205 455384737 /nfs/dbraw/zinc/38/47/37/455384737.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000245844205 455384738 /nfs/dbraw/zinc/38/47/38/455384738.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000245844205 455384739 /nfs/dbraw/zinc/38/47/39/455384739.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000245844205 455384740 /nfs/dbraw/zinc/38/47/40/455384740.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000245844205 455384741 /nfs/dbraw/zinc/38/47/41/455384741.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000182018386 455416811 /nfs/dbraw/zinc/41/68/11/455416811.db2.gz IERBOOIMOAPRGC-DYVFJYSZSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000182018386 455416815 /nfs/dbraw/zinc/41/68/15/455416815.db2.gz IERBOOIMOAPRGC-DYVFJYSZSA-N 2 2 347.846 3.406 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)ccc2[nH+]1 ZINC000266739759 455445672 /nfs/dbraw/zinc/44/56/72/455445672.db2.gz KBGHBHAKCHNTAA-SJORKVTESA-N 2 2 341.459 3.122 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)ccc2[nH+]1 ZINC000266739759 455445675 /nfs/dbraw/zinc/44/56/75/455445675.db2.gz KBGHBHAKCHNTAA-SJORKVTESA-N 2 2 341.459 3.122 10 0 EGAELP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000266782811 455451984 /nfs/dbraw/zinc/45/19/84/455451984.db2.gz VHTOCNURBIHTJI-HNNXBMFYSA-N 2 2 339.361 3.342 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507095 455503496 /nfs/dbraw/zinc/50/34/96/455503496.db2.gz BFGFWSCEYMAPSH-GJZGRUSLSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507095 455503500 /nfs/dbraw/zinc/50/35/00/455503500.db2.gz BFGFWSCEYMAPSH-GJZGRUSLSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507095 455503503 /nfs/dbraw/zinc/50/35/03/455503503.db2.gz BFGFWSCEYMAPSH-GJZGRUSLSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507095 455503508 /nfs/dbraw/zinc/50/35/08/455503508.db2.gz BFGFWSCEYMAPSH-GJZGRUSLSA-N 2 2 337.895 3.310 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246815916 455527374 /nfs/dbraw/zinc/52/73/74/455527374.db2.gz ADIDFOSDLSCFLK-UWVPOSKDSA-N 2 2 346.519 3.095 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246815916 455527375 /nfs/dbraw/zinc/52/73/75/455527375.db2.gz ADIDFOSDLSCFLK-UWVPOSKDSA-N 2 2 346.519 3.095 10 0 EGAELP c1coc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000247027070 455547009 /nfs/dbraw/zinc/54/70/09/455547009.db2.gz YDTRWJZGDUVOJV-YOEHRIQHSA-N 2 2 327.428 3.383 10 0 EGAELP c1coc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000247027070 455547015 /nfs/dbraw/zinc/54/70/15/455547015.db2.gz YDTRWJZGDUVOJV-YOEHRIQHSA-N 2 2 327.428 3.383 10 0 EGAELP c1coc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)no2)c1 ZINC000247027070 455547019 /nfs/dbraw/zinc/54/70/19/455547019.db2.gz YDTRWJZGDUVOJV-YOEHRIQHSA-N 2 2 327.428 3.383 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247059297 455552734 /nfs/dbraw/zinc/55/27/34/455552734.db2.gz WASXWFQYQWEYSY-AZUAARDMSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247059297 455552736 /nfs/dbraw/zinc/55/27/36/455552736.db2.gz WASXWFQYQWEYSY-AZUAARDMSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247059297 455552739 /nfs/dbraw/zinc/55/27/39/455552739.db2.gz WASXWFQYQWEYSY-AZUAARDMSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247059297 455552741 /nfs/dbraw/zinc/55/27/41/455552741.db2.gz WASXWFQYQWEYSY-AZUAARDMSA-N 2 2 345.531 3.148 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247659191 455635325 /nfs/dbraw/zinc/63/53/25/455635325.db2.gz PUVPWUPXFSQYLU-VUHPKUFZSA-N 2 2 340.471 3.032 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247659191 455635331 /nfs/dbraw/zinc/63/53/31/455635331.db2.gz PUVPWUPXFSQYLU-VUHPKUFZSA-N 2 2 340.471 3.032 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284292818 455664110 /nfs/dbraw/zinc/66/41/10/455664110.db2.gz OAULBXNIBJAPTL-WIYYLYMNSA-N 2 2 334.467 3.151 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284292818 455664112 /nfs/dbraw/zinc/66/41/12/455664112.db2.gz OAULBXNIBJAPTL-WIYYLYMNSA-N 2 2 334.467 3.151 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000247993715 455667493 /nfs/dbraw/zinc/66/74/93/455667493.db2.gz JRMPYDXSWJXTPY-KBAYOESNSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000247993715 455667497 /nfs/dbraw/zinc/66/74/97/455667497.db2.gz JRMPYDXSWJXTPY-KBAYOESNSA-N 2 2 331.504 3.228 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)[nH]1 ZINC000271713247 455730956 /nfs/dbraw/zinc/73/09/56/455730956.db2.gz HRPMNCUTGAGIBT-UHFFFAOYSA-N 2 2 327.457 3.376 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313583 455748227 /nfs/dbraw/zinc/74/82/27/455748227.db2.gz FBIQCQSSTATGNH-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313583 455748230 /nfs/dbraw/zinc/74/82/30/455748230.db2.gz FBIQCQSSTATGNH-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313583 455748233 /nfs/dbraw/zinc/74/82/33/455748233.db2.gz FBIQCQSSTATGNH-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313583 455748235 /nfs/dbraw/zinc/74/82/35/455748235.db2.gz FBIQCQSSTATGNH-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252517884 455819079 /nfs/dbraw/zinc/81/90/79/455819079.db2.gz UFSQYAYYNFJFMZ-HHXCZETCSA-N 2 2 327.516 3.427 10 0 EGAELP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252517884 455819081 /nfs/dbraw/zinc/81/90/81/455819081.db2.gz UFSQYAYYNFJFMZ-HHXCZETCSA-N 2 2 327.516 3.427 10 0 EGAELP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582961 460700538 /nfs/dbraw/zinc/70/05/38/460700538.db2.gz KBQBOMSFFMEWSS-HOTGVXAUSA-N 2 2 343.475 3.214 10 0 EGAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606581855 460700665 /nfs/dbraw/zinc/70/06/65/460700665.db2.gz SVTNRWYIEMXQPG-SFHVURJKSA-N 2 2 349.438 3.293 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374578 455930201 /nfs/dbraw/zinc/93/02/01/455930201.db2.gz CPQFOGVBAPFPPD-TZMCWYRMSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374578 455930206 /nfs/dbraw/zinc/93/02/06/455930206.db2.gz CPQFOGVBAPFPPD-TZMCWYRMSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374578 455930211 /nfs/dbraw/zinc/93/02/11/455930211.db2.gz CPQFOGVBAPFPPD-TZMCWYRMSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374578 455930215 /nfs/dbraw/zinc/93/02/15/455930215.db2.gz CPQFOGVBAPFPPD-TZMCWYRMSA-N 2 2 326.282 3.006 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000195259922 455938077 /nfs/dbraw/zinc/93/80/77/455938077.db2.gz OQKOJVXTJVJMFD-HOTGVXAUSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000195259922 455938084 /nfs/dbraw/zinc/93/80/84/455938084.db2.gz OQKOJVXTJVJMFD-HOTGVXAUSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000195259922 455938088 /nfs/dbraw/zinc/93/80/88/455938088.db2.gz OQKOJVXTJVJMFD-HOTGVXAUSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000195259922 455938094 /nfs/dbraw/zinc/93/80/94/455938094.db2.gz OQKOJVXTJVJMFD-HOTGVXAUSA-N 2 2 330.501 3.361 10 0 EGAELP Clc1ccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000216495258 456029801 /nfs/dbraw/zinc/02/98/01/456029801.db2.gz NMTAXCOGUSNQEP-ZDUSSCGKSA-N 2 2 330.863 3.088 10 0 EGAELP Clc1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000216495258 456029804 /nfs/dbraw/zinc/02/98/04/456029804.db2.gz NMTAXCOGUSNQEP-ZDUSSCGKSA-N 2 2 330.863 3.088 10 0 EGAELP COc1ccc([C@H]2[C@@H](CNc3cc(C)[nH+]cn3)CCC[N@@H+]2C)cc1 ZINC000301292413 456083217 /nfs/dbraw/zinc/08/32/17/456083217.db2.gz NYHFIFLWKLCYNP-APWZRJJASA-N 2 2 326.444 3.289 10 0 EGAELP COc1ccc([C@H]2[C@@H](CNc3cc(C)[nH+]cn3)CCC[N@H+]2C)cc1 ZINC000301292413 456083224 /nfs/dbraw/zinc/08/32/24/456083224.db2.gz NYHFIFLWKLCYNP-APWZRJJASA-N 2 2 326.444 3.289 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CCO1 ZINC000275641836 456278370 /nfs/dbraw/zinc/27/83/70/456278370.db2.gz SZMYXIYLLGARAI-IUODEOHRSA-N 2 2 334.489 3.184 10 0 EGAELP CC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302186518 456311748 /nfs/dbraw/zinc/31/17/48/456311748.db2.gz PQDNFCDIZOMSHO-RHSMWYFYSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302186518 456311753 /nfs/dbraw/zinc/31/17/53/456311753.db2.gz PQDNFCDIZOMSHO-RHSMWYFYSA-N 2 2 336.361 3.450 10 0 EGAELP CC(C)n1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281878914 456347897 /nfs/dbraw/zinc/34/78/97/456347897.db2.gz AFOCRRKNPGDAHR-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281878914 456347903 /nfs/dbraw/zinc/34/79/03/456347903.db2.gz AFOCRRKNPGDAHR-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CC[NH+](CC)Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000276148598 456400032 /nfs/dbraw/zinc/40/00/32/456400032.db2.gz CRIDFQOLYQGHIS-UHFFFAOYSA-N 2 2 349.438 3.361 10 0 EGAELP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347845297 456401545 /nfs/dbraw/zinc/40/15/45/456401545.db2.gz MAOIKSUBNSIDSH-MRXNPFEDSA-N 2 2 345.512 3.420 10 0 EGAELP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347845297 456401549 /nfs/dbraw/zinc/40/15/49/456401549.db2.gz MAOIKSUBNSIDSH-MRXNPFEDSA-N 2 2 345.512 3.420 10 0 EGAELP Cc1nc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282175272 456432720 /nfs/dbraw/zinc/43/27/20/456432720.db2.gz VIFINIRWRWPKAJ-OAHLLOKOSA-N 2 2 330.501 3.406 10 0 EGAELP Cc1nc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282175269 456433610 /nfs/dbraw/zinc/43/36/10/456433610.db2.gz VIFINIRWRWPKAJ-HNNXBMFYSA-N 2 2 330.501 3.406 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000340462332 456474212 /nfs/dbraw/zinc/47/42/12/456474212.db2.gz LKAWVLOZOUYJDW-LJQANCHMSA-N 2 2 345.466 3.135 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000340462332 456474217 /nfs/dbraw/zinc/47/42/17/456474217.db2.gz LKAWVLOZOUYJDW-LJQANCHMSA-N 2 2 345.466 3.135 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000340462332 456474221 /nfs/dbraw/zinc/47/42/21/456474221.db2.gz LKAWVLOZOUYJDW-LJQANCHMSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000348101043 456480167 /nfs/dbraw/zinc/48/01/67/456480167.db2.gz HLVOROXUFPPSNQ-FXAWDEMLSA-N 2 2 349.482 3.091 10 0 EGAELP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000337799410 456554691 /nfs/dbraw/zinc/55/46/91/456554691.db2.gz HLYWUTODYABEDG-FCHUYYIVSA-N 2 2 346.478 3.476 10 0 EGAELP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000337799410 456554695 /nfs/dbraw/zinc/55/46/95/456554695.db2.gz HLYWUTODYABEDG-FCHUYYIVSA-N 2 2 346.478 3.476 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648880150 462316517 /nfs/dbraw/zinc/31/65/17/462316517.db2.gz XIYINOPWMOITAA-MRXNPFEDSA-N 2 2 345.491 3.094 10 0 EGAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000338000612 456647148 /nfs/dbraw/zinc/64/71/48/456647148.db2.gz YRFFYKVKXIILEZ-WOJBJXKFSA-N 2 2 344.499 3.066 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000338007409 456653328 /nfs/dbraw/zinc/65/33/28/456653328.db2.gz MDODONFXDLTBJG-NJDAHSKKSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000338007409 456653337 /nfs/dbraw/zinc/65/33/37/456653337.db2.gz MDODONFXDLTBJG-NJDAHSKKSA-N 2 2 328.500 3.446 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174452 456662186 /nfs/dbraw/zinc/66/21/86/456662186.db2.gz GDYZPSOWJMGQQX-IAGOWNOFSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174452 456662190 /nfs/dbraw/zinc/66/21/90/456662190.db2.gz GDYZPSOWJMGQQX-IAGOWNOFSA-N 2 2 326.444 3.009 10 0 EGAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cscn3)CC2)c[nH+]1 ZINC000328649300 456727696 /nfs/dbraw/zinc/72/76/96/456727696.db2.gz UXCWLNWCPLIOFR-CQSZACIVSA-N 2 2 331.489 3.071 10 0 EGAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cscn3)CC2)c[nH+]1 ZINC000328649300 456727701 /nfs/dbraw/zinc/72/77/01/456727701.db2.gz UXCWLNWCPLIOFR-CQSZACIVSA-N 2 2 331.489 3.071 10 0 EGAELP CO[C@@H](C)c1nc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cs1 ZINC000344300135 456814160 /nfs/dbraw/zinc/81/41/60/456814160.db2.gz JAQSRKLTGJLUEW-ZDUSSCGKSA-N 2 2 343.456 3.029 10 0 EGAELP CCc1cnc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)s1 ZINC000353648172 456827882 /nfs/dbraw/zinc/82/78/82/456827882.db2.gz IXRWHOBEHIICCW-UHFFFAOYSA-N 2 2 330.501 3.164 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000348845444 456882838 /nfs/dbraw/zinc/88/28/38/456882838.db2.gz YVDDYMHAEYOXBD-OAHLLOKOSA-N 2 2 334.423 3.028 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000348845444 456882842 /nfs/dbraw/zinc/88/28/42/456882842.db2.gz YVDDYMHAEYOXBD-OAHLLOKOSA-N 2 2 334.423 3.028 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746309 456885892 /nfs/dbraw/zinc/88/58/92/456885892.db2.gz JWVMMAMBNFRWJO-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746309 456885894 /nfs/dbraw/zinc/88/58/94/456885894.db2.gz JWVMMAMBNFRWJO-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746309 456885899 /nfs/dbraw/zinc/88/58/99/456885899.db2.gz JWVMMAMBNFRWJO-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746309 456885903 /nfs/dbraw/zinc/88/59/03/456885903.db2.gz JWVMMAMBNFRWJO-YOEHRIQHSA-N 2 2 330.501 3.367 10 0 EGAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572996 457051835 /nfs/dbraw/zinc/05/18/35/457051835.db2.gz YPXIQEHTZMNPFP-UZLBHIALSA-N 2 2 342.462 3.415 10 0 EGAELP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572996 457051838 /nfs/dbraw/zinc/05/18/38/457051838.db2.gz YPXIQEHTZMNPFP-UZLBHIALSA-N 2 2 342.462 3.415 10 0 EGAELP CCNC(=O)[C@@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000339333269 457057633 /nfs/dbraw/zinc/05/76/33/457057633.db2.gz LUBQIFLAGCLWBX-IBGZPJMESA-N 2 2 344.503 3.265 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106955 457067259 /nfs/dbraw/zinc/06/72/59/457067259.db2.gz NBSPIPZHDDAKSB-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106955 457067262 /nfs/dbraw/zinc/06/72/62/457067262.db2.gz NBSPIPZHDDAKSB-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106955 457067266 /nfs/dbraw/zinc/06/72/66/457067266.db2.gz NBSPIPZHDDAKSB-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106955 457067269 /nfs/dbraw/zinc/06/72/69/457067269.db2.gz NBSPIPZHDDAKSB-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c[nH+]1 ZINC000354502573 457260260 /nfs/dbraw/zinc/26/02/60/457260260.db2.gz NLEAYSBKQCPNLC-INIZCTEOSA-N 2 2 331.410 3.469 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270906 457322234 /nfs/dbraw/zinc/32/22/34/457322234.db2.gz BEWJRXZRXHXELZ-HYVNUMGLSA-N 2 2 344.421 3.454 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270906 457322243 /nfs/dbraw/zinc/32/22/43/457322243.db2.gz BEWJRXZRXHXELZ-HYVNUMGLSA-N 2 2 344.421 3.454 10 0 EGAELP CCCC[C@H](CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360927929 457438630 /nfs/dbraw/zinc/43/86/30/457438630.db2.gz QFHXDQOYLLMWOB-SFHVURJKSA-N 2 2 337.552 3.269 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012969 457511769 /nfs/dbraw/zinc/51/17/69/457511769.db2.gz LMHWJAZNXXPLAD-UKRRQHHQSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012969 457511779 /nfs/dbraw/zinc/51/17/79/457511779.db2.gz LMHWJAZNXXPLAD-UKRRQHHQSA-N 2 2 346.393 3.347 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374201105 457521806 /nfs/dbraw/zinc/52/18/06/457521806.db2.gz TYWCSLLMEOYYHW-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP CCn1c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nc2c1cccc2F ZINC000374207665 457522694 /nfs/dbraw/zinc/52/26/94/457522694.db2.gz JVUSIKZMRQLHSW-UHFFFAOYSA-N 2 2 327.407 3.298 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374207621 457523357 /nfs/dbraw/zinc/52/33/57/457523357.db2.gz JOFCIKIBUPZQPK-CQSZACIVSA-N 2 2 326.444 3.179 10 0 EGAELP CC(C)n1cncc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000425384366 457531556 /nfs/dbraw/zinc/53/15/56/457531556.db2.gz QIPLEBPNGPFISX-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1cncc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000425384366 457531559 /nfs/dbraw/zinc/53/15/59/457531559.db2.gz QIPLEBPNGPFISX-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000352694822 457537692 /nfs/dbraw/zinc/53/76/92/457537692.db2.gz RIXBNIYBFOALSD-QGZVFWFLSA-N 2 2 332.488 3.489 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000352694822 457537699 /nfs/dbraw/zinc/53/76/99/457537699.db2.gz RIXBNIYBFOALSD-QGZVFWFLSA-N 2 2 332.488 3.489 10 0 EGAELP c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)nc1 ZINC000425420685 457546217 /nfs/dbraw/zinc/54/62/17/457546217.db2.gz PPHSGXIKNLRZND-LJQANCHMSA-N 2 2 336.483 3.451 10 0 EGAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)nc1 ZINC000425420685 457546223 /nfs/dbraw/zinc/54/62/23/457546223.db2.gz PPHSGXIKNLRZND-LJQANCHMSA-N 2 2 336.483 3.451 10 0 EGAELP COc1cc2c(c(C[NH2+]C3CC([NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000370131264 457556180 /nfs/dbraw/zinc/55/61/80/457556180.db2.gz JULNXUDMPYVCTL-NNGSBXSVSA-N 2 2 330.472 3.125 10 0 EGAELP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370243161 457596976 /nfs/dbraw/zinc/59/69/76/457596976.db2.gz KOCNJATZLARGMR-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370243161 457596983 /nfs/dbraw/zinc/59/69/83/457596983.db2.gz KOCNJATZLARGMR-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357692911 457658989 /nfs/dbraw/zinc/65/89/89/457658989.db2.gz MAGMWYNKTYCNDU-SJORKVTESA-N 2 2 332.492 3.221 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357692911 457658990 /nfs/dbraw/zinc/65/89/90/457658990.db2.gz MAGMWYNKTYCNDU-SJORKVTESA-N 2 2 332.492 3.221 10 0 EGAELP Fc1ccc(Cn2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cn2)cc1 ZINC000364858287 457707628 /nfs/dbraw/zinc/70/76/28/457707628.db2.gz ZRFBZYRFKIWVCG-UHFFFAOYSA-N 2 2 339.418 3.173 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000361520208 457766570 /nfs/dbraw/zinc/76/65/70/457766570.db2.gz RYVUADAUIPYESV-UHFFFAOYSA-N 2 2 340.452 3.022 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000361519015 457767339 /nfs/dbraw/zinc/76/73/39/457767339.db2.gz MCAWVVSMCIGJHP-CYBMUJFWSA-N 2 2 333.382 3.252 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000443616275 457789821 /nfs/dbraw/zinc/78/98/21/457789821.db2.gz QYLAJBALAAYIKK-OXJNMPFZSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000443616275 457789826 /nfs/dbraw/zinc/78/98/26/457789826.db2.gz QYLAJBALAAYIKK-OXJNMPFZSA-N 2 2 347.934 3.429 10 0 EGAELP c1cc(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)o2)n[nH]1 ZINC000433327080 457811415 /nfs/dbraw/zinc/81/14/15/457811415.db2.gz QUANZTMKANWCPY-UHFFFAOYSA-N 2 2 333.395 3.204 10 0 EGAELP Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361753355 457835041 /nfs/dbraw/zinc/83/50/41/457835041.db2.gz IKUXANHIJNTTMX-QGZVFWFLSA-N 2 2 327.453 3.374 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC(Nc3[nH]c4ccccc4[nH+]3)C2)CC1 ZINC000366541682 457846284 /nfs/dbraw/zinc/84/62/84/457846284.db2.gz PJHXQRWZHZHABB-UHFFFAOYSA-N 2 2 338.377 3.202 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298907 457918124 /nfs/dbraw/zinc/91/81/24/457918124.db2.gz MMKDPHQWOVAPAJ-OXJNMPFZSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298907 457918134 /nfs/dbraw/zinc/91/81/34/457918134.db2.gz MMKDPHQWOVAPAJ-OXJNMPFZSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000444680458 457938287 /nfs/dbraw/zinc/93/82/87/457938287.db2.gz PHURVYRFBFTGMS-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101736 458009738 /nfs/dbraw/zinc/00/97/38/458009738.db2.gz KZMQENHFTAPFKD-SJKOYZFVSA-N 2 2 326.400 3.101 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101736 458009743 /nfs/dbraw/zinc/00/97/43/458009743.db2.gz KZMQENHFTAPFKD-SJKOYZFVSA-N 2 2 326.400 3.101 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cnc(C)cn1 ZINC000428240297 458104680 /nfs/dbraw/zinc/10/46/80/458104680.db2.gz RUTZMRSOXUQOID-KRWDZBQOSA-N 2 2 339.487 3.480 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cnc(C)cn1 ZINC000428240297 458104686 /nfs/dbraw/zinc/10/46/86/458104686.db2.gz RUTZMRSOXUQOID-KRWDZBQOSA-N 2 2 339.487 3.480 10 0 EGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc(Cl)cc1 ZINC000369348398 458182282 /nfs/dbraw/zinc/18/22/82/458182282.db2.gz ZPZKWGZUKSXVQH-UHFFFAOYSA-N 2 2 332.835 3.271 10 0 EGAELP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000362509774 458230562 /nfs/dbraw/zinc/23/05/62/458230562.db2.gz YDMSXAMXDXNTEK-INIZCTEOSA-N 2 2 325.412 3.040 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000429254014 458300248 /nfs/dbraw/zinc/30/02/48/458300248.db2.gz JTUKTPWGGAGSAQ-UHFFFAOYSA-N 2 2 347.532 3.413 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000429254014 458300251 /nfs/dbraw/zinc/30/02/51/458300251.db2.gz JTUKTPWGGAGSAQ-UHFFFAOYSA-N 2 2 347.532 3.413 10 0 EGAELP COC1(C[C@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000429511279 458339563 /nfs/dbraw/zinc/33/95/63/458339563.db2.gz LDRVUGGCHKMPLC-INIZCTEOSA-N 2 2 326.550 3.285 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794097 458390567 /nfs/dbraw/zinc/39/05/67/458390567.db2.gz LLSQJKSHSSBANK-JXFKEZNVSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794097 458390571 /nfs/dbraw/zinc/39/05/71/458390571.db2.gz LLSQJKSHSSBANK-JXFKEZNVSA-N 2 2 336.483 3.322 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423566262 458458073 /nfs/dbraw/zinc/45/80/73/458458073.db2.gz TXNKOHKPFKWXEQ-IAQYHMDHSA-N 2 2 327.241 3.307 10 0 EGAELP C[C@@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000459757074 458469893 /nfs/dbraw/zinc/46/98/93/458469893.db2.gz GSVVPOTXHIQBJZ-ZDUSSCGKSA-N 2 2 335.473 3.343 10 0 EGAELP C[C@@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C(=O)OC(C)(C)C ZINC000459757074 458469897 /nfs/dbraw/zinc/46/98/97/458469897.db2.gz GSVVPOTXHIQBJZ-ZDUSSCGKSA-N 2 2 335.473 3.343 10 0 EGAELP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377778843 458524194 /nfs/dbraw/zinc/52/41/94/458524194.db2.gz MGOJBLOLFYLIDX-KRWDZBQOSA-N 2 2 334.423 3.127 10 0 EGAELP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377778843 458524199 /nfs/dbraw/zinc/52/41/99/458524199.db2.gz MGOJBLOLFYLIDX-KRWDZBQOSA-N 2 2 334.423 3.127 10 0 EGAELP CC[C@H](C[NH2+]Cc1cncn1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000424140767 458568608 /nfs/dbraw/zinc/56/86/08/458568608.db2.gz WRHOFUJFSPDEPV-LJQANCHMSA-N 2 2 326.488 3.391 10 0 EGAELP CC[C@H](C[NH2+]Cc1cncn1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000424140767 458568614 /nfs/dbraw/zinc/56/86/14/458568614.db2.gz WRHOFUJFSPDEPV-LJQANCHMSA-N 2 2 326.488 3.391 10 0 EGAELP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424345776 458622486 /nfs/dbraw/zinc/62/24/86/458622486.db2.gz IOSHQQJNVLJAFS-QBYKVAOYSA-N 2 2 332.488 3.091 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000546614160 458644006 /nfs/dbraw/zinc/64/40/06/458644006.db2.gz KNAOVHPNGGMOMA-UHFFFAOYSA-N 2 2 329.444 3.408 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217166 458720092 /nfs/dbraw/zinc/72/00/92/458720092.db2.gz FMYZOSKASJHPHZ-GJZGRUSLSA-N 2 2 339.252 3.450 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245465 458728794 /nfs/dbraw/zinc/72/87/94/458728794.db2.gz YNBRAVGTOYOTCO-PBHICJAKSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245465 458728798 /nfs/dbraw/zinc/72/87/98/458728798.db2.gz YNBRAVGTOYOTCO-PBHICJAKSA-N 2 2 342.405 3.345 10 0 EGAELP CC(C)(C)[NH2+]CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530243612 458728814 /nfs/dbraw/zinc/72/88/14/458728814.db2.gz TZPJUCBMBALMLN-UHFFFAOYSA-N 2 2 334.508 3.370 10 0 EGAELP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)c2cccs2)CC1 ZINC000494872869 458759473 /nfs/dbraw/zinc/75/94/73/458759473.db2.gz HZMUSAVUCDAOGH-WBVHZDCISA-N 2 2 349.544 3.168 10 0 EGAELP Cc1cc(C)c([C@H](C)[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c(C)c1 ZINC000518419471 458866628 /nfs/dbraw/zinc/86/66/28/458866628.db2.gz DWDXNBSTCGMXBB-SFHVURJKSA-N 2 2 326.488 3.224 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000531737810 458970554 /nfs/dbraw/zinc/97/05/54/458970554.db2.gz WWPKFTINEFNLQR-HKUYNNGSSA-N 2 2 343.515 3.342 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000531737810 458970556 /nfs/dbraw/zinc/97/05/56/458970556.db2.gz WWPKFTINEFNLQR-HKUYNNGSSA-N 2 2 343.515 3.342 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000577152978 458987449 /nfs/dbraw/zinc/98/74/49/458987449.db2.gz TZIWPQSQZOCWBC-UZLBHIALSA-N 2 2 341.499 3.290 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000577152978 458987453 /nfs/dbraw/zinc/98/74/53/458987453.db2.gz TZIWPQSQZOCWBC-UZLBHIALSA-N 2 2 341.499 3.290 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532239715 459052490 /nfs/dbraw/zinc/05/24/90/459052490.db2.gz WXAXSWQQZIIQHO-QWHCGFSZSA-N 2 2 343.284 3.451 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532239715 459052495 /nfs/dbraw/zinc/05/24/95/459052495.db2.gz WXAXSWQQZIIQHO-QWHCGFSZSA-N 2 2 343.284 3.451 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000594493710 459059549 /nfs/dbraw/zinc/05/95/49/459059549.db2.gz ILUXIFLBXFFCOB-CEXWTWQISA-N 2 2 328.456 3.067 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000594493710 459059554 /nfs/dbraw/zinc/05/95/54/459059554.db2.gz ILUXIFLBXFFCOB-CEXWTWQISA-N 2 2 328.456 3.067 10 0 EGAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000567381836 459097429 /nfs/dbraw/zinc/09/74/29/459097429.db2.gz NBBPYDXCWTUHKZ-ISRNJUKQSA-N 2 2 326.444 3.273 10 0 EGAELP COc1cncc(/C=C/CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000567381836 459097432 /nfs/dbraw/zinc/09/74/32/459097432.db2.gz NBBPYDXCWTUHKZ-ISRNJUKQSA-N 2 2 326.444 3.273 10 0 EGAELP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950297 459166012 /nfs/dbraw/zinc/16/60/12/459166012.db2.gz HDDHFXKIPIMQNS-OALUTQOASA-N 2 2 349.563 3.412 10 0 EGAELP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950297 459166015 /nfs/dbraw/zinc/16/60/15/459166015.db2.gz HDDHFXKIPIMQNS-OALUTQOASA-N 2 2 349.563 3.412 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851590 459178322 /nfs/dbraw/zinc/17/83/22/459178322.db2.gz QQQHLELCKINORJ-HXUWFJFHSA-N 3 2 327.516 3.258 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851590 459178324 /nfs/dbraw/zinc/17/83/24/459178324.db2.gz QQQHLELCKINORJ-HXUWFJFHSA-N 3 2 327.516 3.258 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000595008172 459214200 /nfs/dbraw/zinc/21/42/00/459214200.db2.gz RPILBYHKQJAJHT-OAHLLOKOSA-N 2 2 333.476 3.008 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081393 459307226 /nfs/dbraw/zinc/30/72/26/459307226.db2.gz AXOOKFYAMXKHHU-HOTGVXAUSA-N 2 2 349.438 3.095 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081393 459307234 /nfs/dbraw/zinc/30/72/34/459307234.db2.gz AXOOKFYAMXKHHU-HOTGVXAUSA-N 2 2 349.438 3.095 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000569434401 459448864 /nfs/dbraw/zinc/44/88/64/459448864.db2.gz JXRGTZDPTKHMSZ-AZUAARDMSA-N 3 2 329.532 3.013 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000569434401 459448868 /nfs/dbraw/zinc/44/88/68/459448868.db2.gz JXRGTZDPTKHMSZ-AZUAARDMSA-N 3 2 329.532 3.013 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000569434403 459449211 /nfs/dbraw/zinc/44/92/11/459449211.db2.gz JXRGTZDPTKHMSZ-QUCCMNQESA-N 3 2 329.532 3.013 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000569434403 459449214 /nfs/dbraw/zinc/44/92/14/459449214.db2.gz JXRGTZDPTKHMSZ-QUCCMNQESA-N 3 2 329.532 3.013 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000582973495 459460770 /nfs/dbraw/zinc/46/07/70/459460770.db2.gz AWWZEJLFKUJKJI-MRXNPFEDSA-N 2 2 329.488 3.341 10 0 EGAELP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000582973495 459460774 /nfs/dbraw/zinc/46/07/74/459460774.db2.gz AWWZEJLFKUJKJI-MRXNPFEDSA-N 2 2 329.488 3.341 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000525833502 459501753 /nfs/dbraw/zinc/50/17/53/459501753.db2.gz HLPDDJYUYXJFAJ-FQEVSTJZSA-N 2 2 338.499 3.382 10 0 EGAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000525992029 459527250 /nfs/dbraw/zinc/52/72/50/459527250.db2.gz YMMAGCPHWQRASA-RCCFBDPRSA-N 2 2 346.519 3.106 10 0 EGAELP CC[N@H+](C)C[C@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000498654465 459599952 /nfs/dbraw/zinc/59/99/52/459599952.db2.gz FDJZCPMCIYKJQT-GOSISDBHSA-N 2 2 325.456 3.439 10 0 EGAELP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000498654465 459599956 /nfs/dbraw/zinc/59/99/56/459599956.db2.gz FDJZCPMCIYKJQT-GOSISDBHSA-N 2 2 325.456 3.439 10 0 EGAELP Cc1[nH+]cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1C ZINC000527811256 459747678 /nfs/dbraw/zinc/74/76/78/459747678.db2.gz QYYRQKRFGUSCOJ-MRXNPFEDSA-N 2 2 341.286 3.428 10 0 EGAELP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949451 459779225 /nfs/dbraw/zinc/77/92/25/459779225.db2.gz NPYLZHVUMVRPQB-HKUYNNGSSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527949451 459779229 /nfs/dbraw/zinc/77/92/29/459779229.db2.gz NPYLZHVUMVRPQB-HKUYNNGSSA-N 2 2 335.536 3.164 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527951137 459781032 /nfs/dbraw/zinc/78/10/32/459781032.db2.gz QHNSVGKGIRIYMG-ZHALLVOQSA-N 2 2 330.520 3.443 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527951137 459781033 /nfs/dbraw/zinc/78/10/33/459781033.db2.gz QHNSVGKGIRIYMG-ZHALLVOQSA-N 2 2 330.520 3.443 10 0 EGAELP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011407 459796247 /nfs/dbraw/zinc/79/62/47/459796247.db2.gz LCGNTHWYAWQHKP-TZIWHRDSSA-N 2 2 341.499 3.086 10 0 EGAELP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011407 459796249 /nfs/dbraw/zinc/79/62/49/459796249.db2.gz LCGNTHWYAWQHKP-TZIWHRDSSA-N 2 2 341.499 3.086 10 0 EGAELP C[S@@](=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779648 459801759 /nfs/dbraw/zinc/80/17/59/459801759.db2.gz HOKPWGSUKBAWSW-MHECFPHRSA-N 2 2 346.540 3.074 10 0 EGAELP C[S@@](=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779648 459801761 /nfs/dbraw/zinc/80/17/61/459801761.db2.gz HOKPWGSUKBAWSW-MHECFPHRSA-N 2 2 346.540 3.074 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000545152282 459803395 /nfs/dbraw/zinc/80/33/95/459803395.db2.gz XWKLXICPKRBPHB-UHFFFAOYSA-N 2 2 328.378 3.369 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000545152282 459803399 /nfs/dbraw/zinc/80/33/99/459803399.db2.gz XWKLXICPKRBPHB-UHFFFAOYSA-N 2 2 328.378 3.369 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000588178153 459926546 /nfs/dbraw/zinc/92/65/46/459926546.db2.gz QLXWUWCUWWQJMU-AWEZNQCLSA-N 2 2 327.255 3.453 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000588178153 459926549 /nfs/dbraw/zinc/92/65/49/459926549.db2.gz QLXWUWCUWWQJMU-AWEZNQCLSA-N 2 2 327.255 3.453 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719381 460025837 /nfs/dbraw/zinc/02/58/37/460025837.db2.gz KYCOFGPBCZMWOX-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719381 460025842 /nfs/dbraw/zinc/02/58/42/460025842.db2.gz KYCOFGPBCZMWOX-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719381 460025849 /nfs/dbraw/zinc/02/58/49/460025849.db2.gz KYCOFGPBCZMWOX-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719381 460025855 /nfs/dbraw/zinc/02/58/55/460025855.db2.gz KYCOFGPBCZMWOX-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP CC1CC[NH+](CCc2cccc(NC(=O)C[NH+]3CC(C)(C)C3)c2)CC1 ZINC000622480593 460266393 /nfs/dbraw/zinc/26/63/93/460266393.db2.gz SACUCZNBYVGGLK-UHFFFAOYSA-N 2 2 343.515 3.241 10 0 EGAELP CN(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000625982976 460326152 /nfs/dbraw/zinc/32/61/52/460326152.db2.gz AHLSIURSAGEYSE-OAHLLOKOSA-N 2 2 327.259 3.082 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC000626089116 460367153 /nfs/dbraw/zinc/36/71/53/460367153.db2.gz BEEWOQINEXYJDS-IBGZPJMESA-N 2 2 338.536 3.159 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000600202133 460436542 /nfs/dbraw/zinc/43/65/42/460436542.db2.gz AKXGPARCKHDOKX-OAHLLOKOSA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000600202133 460436546 /nfs/dbraw/zinc/43/65/46/460436546.db2.gz AKXGPARCKHDOKX-OAHLLOKOSA-N 2 2 336.863 3.233 10 0 EGAELP CC(=O)N1CCC([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631681054 460506183 /nfs/dbraw/zinc/50/61/83/460506183.db2.gz URYJGXZGZMPESW-OAQYLSRUSA-N 2 2 343.515 3.032 10 0 EGAELP CC(=O)N1CCC([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631681054 460506189 /nfs/dbraw/zinc/50/61/89/460506189.db2.gz URYJGXZGZMPESW-OAQYLSRUSA-N 2 2 343.515 3.032 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398320 460527309 /nfs/dbraw/zinc/52/73/09/460527309.db2.gz BWWFPHXQWALOTD-HOTGVXAUSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398320 460527312 /nfs/dbraw/zinc/52/73/12/460527312.db2.gz BWWFPHXQWALOTD-HOTGVXAUSA-N 2 2 343.475 3.291 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430309 460545784 /nfs/dbraw/zinc/54/57/84/460545784.db2.gz KNDPFVHALSFRCD-HOCLYGCPSA-N 2 2 349.906 3.298 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430309 460545788 /nfs/dbraw/zinc/54/57/88/460545788.db2.gz KNDPFVHALSFRCD-HOCLYGCPSA-N 2 2 349.906 3.298 10 0 EGAELP CC[NH+](CC)[C@H](C)CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623853147 460745275 /nfs/dbraw/zinc/74/52/75/460745275.db2.gz ODNCWYXTCGDBKZ-OAHLLOKOSA-N 2 2 325.460 3.139 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n1)C2 ZINC000623868831 460752334 /nfs/dbraw/zinc/75/23/34/460752334.db2.gz IPVQCXHZFCWFHF-ROUUACIJSA-N 2 2 335.455 3.036 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)n1)C2 ZINC000623868831 460752339 /nfs/dbraw/zinc/75/23/39/460752339.db2.gz IPVQCXHZFCWFHF-ROUUACIJSA-N 2 2 335.455 3.036 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000629544330 460802610 /nfs/dbraw/zinc/80/26/10/460802610.db2.gz JTTBOILTQWLUKU-PCTYZZJISA-N 2 2 329.669 3.430 10 0 EGAELP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629547938 460804503 /nfs/dbraw/zinc/80/45/03/460804503.db2.gz LZKDMOUUHHTXSM-VHKYSDTDSA-N 2 2 328.431 3.458 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991965 460813271 /nfs/dbraw/zinc/81/32/71/460813271.db2.gz XFLQPQMHIVSXQL-OCCSQVGLSA-N 2 2 348.384 3.342 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991965 460813280 /nfs/dbraw/zinc/81/32/80/460813280.db2.gz XFLQPQMHIVSXQL-OCCSQVGLSA-N 2 2 348.384 3.342 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991966 460813574 /nfs/dbraw/zinc/81/35/74/460813574.db2.gz XFLQPQMHIVSXQL-TZMCWYRMSA-N 2 2 348.384 3.342 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991966 460813579 /nfs/dbraw/zinc/81/35/79/460813579.db2.gz XFLQPQMHIVSXQL-TZMCWYRMSA-N 2 2 348.384 3.342 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H]3CC=CCC3)c2cc1C ZINC000629597546 460821539 /nfs/dbraw/zinc/82/15/39/460821539.db2.gz MIJOAMGDBBRCEW-ZWKOTPCHSA-N 2 2 327.472 3.350 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077627 460848473 /nfs/dbraw/zinc/84/84/73/460848473.db2.gz WCNGKPKPGDUXDB-XLIONFOSSA-N 2 2 343.515 3.425 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077627 460848477 /nfs/dbraw/zinc/84/84/77/460848477.db2.gz WCNGKPKPGDUXDB-XLIONFOSSA-N 2 2 343.515 3.425 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123991 460872019 /nfs/dbraw/zinc/87/20/19/460872019.db2.gz VGFPLJOJDGDPCW-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123991 460872026 /nfs/dbraw/zinc/87/20/26/460872026.db2.gz VGFPLJOJDGDPCW-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP CC(C)(C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1c[nH+]c[nH]1 ZINC000621393344 461019461 /nfs/dbraw/zinc/01/94/61/461019461.db2.gz OBJSKIPZNOKCOV-UHFFFAOYSA-N 2 2 347.488 3.159 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000628237737 461058789 /nfs/dbraw/zinc/05/87/89/461058789.db2.gz XKGLTOMLIOWEKD-CEXWTWQISA-N 2 2 325.456 3.292 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000628237737 461058793 /nfs/dbraw/zinc/05/87/93/461058793.db2.gz XKGLTOMLIOWEKD-CEXWTWQISA-N 2 2 325.456 3.292 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC1CC1 ZINC000628295615 461077866 /nfs/dbraw/zinc/07/78/66/461077866.db2.gz DCZZNWGOVIEJQF-FQEVSTJZSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC1CC1 ZINC000628295615 461077870 /nfs/dbraw/zinc/07/78/70/461077870.db2.gz DCZZNWGOVIEJQF-FQEVSTJZSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC1CC1 ZINC000628295615 461077874 /nfs/dbraw/zinc/07/78/74/461077874.db2.gz DCZZNWGOVIEJQF-FQEVSTJZSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC1CC1 ZINC000628295615 461077879 /nfs/dbraw/zinc/07/78/79/461077879.db2.gz DCZZNWGOVIEJQF-FQEVSTJZSA-N 2 2 330.472 3.154 10 0 EGAELP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662251308 461144611 /nfs/dbraw/zinc/14/46/11/461144611.db2.gz CDQHFEXTWUCXGT-MLGOLLRUSA-N 2 2 328.378 3.219 10 0 EGAELP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662251308 461144614 /nfs/dbraw/zinc/14/46/14/461144614.db2.gz CDQHFEXTWUCXGT-MLGOLLRUSA-N 2 2 328.378 3.219 10 0 EGAELP C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259320 461147835 /nfs/dbraw/zinc/14/78/35/461147835.db2.gz UYXJYDYUBBLZQZ-UHFFFAOYSA-N 2 2 341.402 3.440 10 0 EGAELP C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259320 461147846 /nfs/dbraw/zinc/14/78/46/461147846.db2.gz UYXJYDYUBBLZQZ-UHFFFAOYSA-N 2 2 341.402 3.440 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662283732 461166153 /nfs/dbraw/zinc/16/61/53/461166153.db2.gz CWAGZWDYORQDOP-UHFFFAOYSA-N 2 2 328.909 3.133 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319328 461190397 /nfs/dbraw/zinc/19/03/97/461190397.db2.gz HKMIBNNHPTVDMJ-QAPCUYQASA-N 2 2 326.431 3.459 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319328 461190404 /nfs/dbraw/zinc/19/04/04/461190404.db2.gz HKMIBNNHPTVDMJ-QAPCUYQASA-N 2 2 326.431 3.459 10 0 EGAELP 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3.033 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000657524805 462168147 /nfs/dbraw/zinc/16/81/47/462168147.db2.gz RSJXLBILXSJZLW-PKOBYXMFSA-N 2 2 332.488 3.207 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000657524805 462168152 /nfs/dbraw/zinc/16/81/52/462168152.db2.gz RSJXLBILXSJZLW-PKOBYXMFSA-N 2 2 332.488 3.207 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571156 462185457 /nfs/dbraw/zinc/18/54/57/462185457.db2.gz WASXHAHOGRZBKO-BPQIPLTHSA-N 2 2 337.471 3.071 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571156 462185461 /nfs/dbraw/zinc/18/54/61/462185461.db2.gz WASXHAHOGRZBKO-BPQIPLTHSA-N 2 2 337.471 3.071 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057642 462360873 /nfs/dbraw/zinc/36/08/73/462360873.db2.gz PMPVEHHDXYWGGM-QFBILLFUSA-N 2 2 326.488 3.455 10 0 EGAELP 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C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102884 462385137 /nfs/dbraw/zinc/38/51/37/462385137.db2.gz RHYOEACBMHZZTD-DBDQLMEASA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102884 462385141 /nfs/dbraw/zinc/38/51/41/462385141.db2.gz RHYOEACBMHZZTD-DBDQLMEASA-N 2 2 337.471 3.069 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665357623 462415076 /nfs/dbraw/zinc/41/50/76/462415076.db2.gz RJLOPADEDOSJRG-JKSUJKDBSA-N 2 2 347.507 3.012 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665357623 462415082 /nfs/dbraw/zinc/41/50/82/462415082.db2.gz RJLOPADEDOSJRG-JKSUJKDBSA-N 2 2 347.507 3.012 10 0 EGAELP CC(C)[C@H](O)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000658287473 462458171 /nfs/dbraw/zinc/45/81/71/462458171.db2.gz GVLFPUOHTRGQMX-RTWAWAEBSA-N 2 2 339.483 3.398 10 0 EGAELP c1cn2c(n1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317509 462475007 /nfs/dbraw/zinc/47/50/07/462475007.db2.gz LVOQYSOQVABIII-RBUKOAKNSA-N 2 2 336.483 3.220 10 0 EGAELP c1cn2c(n1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317509 462475011 /nfs/dbraw/zinc/47/50/11/462475011.db2.gz LVOQYSOQVABIII-RBUKOAKNSA-N 2 2 336.483 3.220 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341180 462481836 /nfs/dbraw/zinc/48/18/36/462481836.db2.gz HDDRAZVQFJJGLJ-WBVHZDCISA-N 2 2 339.474 3.072 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341180 462481841 /nfs/dbraw/zinc/48/18/41/462481841.db2.gz HDDRAZVQFJJGLJ-WBVHZDCISA-N 2 2 339.474 3.072 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1csc(-c3ccccc3)n1)CCO2 ZINC000646102236 462517897 /nfs/dbraw/zinc/51/78/97/462517897.db2.gz FYPMSDNJSHIMSB-UHFFFAOYSA-N 2 2 343.496 3.107 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1csc(-c3ccccc3)n1)CCO2 ZINC000646102236 462517899 /nfs/dbraw/zinc/51/78/99/462517899.db2.gz FYPMSDNJSHIMSB-UHFFFAOYSA-N 2 2 343.496 3.107 10 0 EGAELP CCC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662151813 462532145 /nfs/dbraw/zinc/53/21/45/462532145.db2.gz LPQADRWUCFNILK-HXUWFJFHSA-N 2 2 330.516 3.405 10 0 EGAELP CCC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662151813 462532146 /nfs/dbraw/zinc/53/21/46/462532146.db2.gz LPQADRWUCFNILK-HXUWFJFHSA-N 2 2 330.516 3.405 10 0 EGAELP CCc1nc(NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000528141670 467675064 /nfs/dbraw/zinc/67/50/64/467675064.db2.gz UYIKDHKRNICARY-MRXNPFEDSA-N 2 2 326.444 3.042 10 0 EGAELP CCc1nc(NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000528141670 467675067 /nfs/dbraw/zinc/67/50/67/467675067.db2.gz UYIKDHKRNICARY-MRXNPFEDSA-N 2 2 326.444 3.042 10 0 EGAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000132914735 534437071 /nfs/dbraw/zinc/43/70/71/534437071.db2.gz QZYOSRNZDDSJEG-GJZGRUSLSA-N 2 2 343.393 3.280 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)OCc2ccc[nH+]c2N(C)C)cc1 ZINC000241774150 535603357 /nfs/dbraw/zinc/60/33/57/535603357.db2.gz RNLITVLNOGMOTF-UHFFFAOYSA-N 2 2 341.455 3.346 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119694142 546708598 /nfs/dbraw/zinc/70/85/98/546708598.db2.gz UIZGWMDSBNLVLG-WIYYLYMNSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119694142 546708602 /nfs/dbraw/zinc/70/86/02/546708602.db2.gz UIZGWMDSBNLVLG-WIYYLYMNSA-N 3 2 329.532 3.361 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000163286961 546972534 /nfs/dbraw/zinc/97/25/34/546972534.db2.gz MYXLGPRNRSHTGK-BLLLJJGKSA-N 2 2 341.415 3.226 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000163286961 546972538 /nfs/dbraw/zinc/97/25/38/546972538.db2.gz MYXLGPRNRSHTGK-BLLLJJGKSA-N 2 2 341.415 3.226 10 0 EGAELP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCCC3)oc21 ZINC000181559644 547070245 /nfs/dbraw/zinc/07/02/45/547070245.db2.gz RLYBKMRBOZKPLM-WBVHZDCISA-N 2 2 346.471 3.329 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000374206107 547804820 /nfs/dbraw/zinc/80/48/20/547804820.db2.gz CPBUNEXZPZSDLF-UHFFFAOYSA-N 2 2 332.835 3.190 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542560 547824192 /nfs/dbraw/zinc/82/41/92/547824192.db2.gz RMXMIUOQRVMBNL-NYVOZVTQSA-N 3 2 339.527 3.113 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542560 547824196 /nfs/dbraw/zinc/82/41/96/547824196.db2.gz RMXMIUOQRVMBNL-NYVOZVTQSA-N 3 2 339.527 3.113 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351537 /nfs/dbraw/zinc/35/15/37/548351537.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 3 2 341.543 3.361 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351539 /nfs/dbraw/zinc/35/15/39/548351539.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351543 /nfs/dbraw/zinc/35/15/43/548351543.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351546 /nfs/dbraw/zinc/35/15/46/548351546.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 3 2 341.543 3.361 10 0 EGAELP C[C@H]1[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000673701411 548599730 /nfs/dbraw/zinc/59/97/30/548599730.db2.gz JTFZBMGIRUDCFM-JXFKEZNVSA-N 2 2 347.466 3.224 10 0 EGAELP C[C@H]1[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000673701411 548599733 /nfs/dbraw/zinc/59/97/33/548599733.db2.gz JTFZBMGIRUDCFM-JXFKEZNVSA-N 2 2 347.466 3.224 10 0 EGAELP Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856750 548641765 /nfs/dbraw/zinc/64/17/65/548641765.db2.gz XKEVZRVAEWEYTB-TZIWHRDSSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856750 548641769 /nfs/dbraw/zinc/64/17/69/548641769.db2.gz XKEVZRVAEWEYTB-TZIWHRDSSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673856750 548641775 /nfs/dbraw/zinc/64/17/75/548641775.db2.gz XKEVZRVAEWEYTB-TZIWHRDSSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673856750 548641781 /nfs/dbraw/zinc/64/17/81/548641781.db2.gz XKEVZRVAEWEYTB-TZIWHRDSSA-N 2 2 341.499 3.045 10 0 EGAELP COCc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675761919 548975114 /nfs/dbraw/zinc/97/51/14/548975114.db2.gz JSSCPEYNIQYGIT-GOSISDBHSA-N 2 2 325.412 3.233 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000678080784 549392965 /nfs/dbraw/zinc/39/29/65/549392965.db2.gz MYXLGPRNRSHTGK-LRDDRELGSA-N 2 2 341.415 3.226 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000678080784 549392968 /nfs/dbraw/zinc/39/29/68/549392968.db2.gz MYXLGPRNRSHTGK-LRDDRELGSA-N 2 2 341.415 3.226 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024832 549618051 /nfs/dbraw/zinc/61/80/51/549618051.db2.gz NVJASJPCUVELQP-FPDPHYFHSA-N 2 2 348.494 3.073 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024832 549618053 /nfs/dbraw/zinc/61/80/53/549618053.db2.gz NVJASJPCUVELQP-FPDPHYFHSA-N 2 2 348.494 3.073 10 0 EGAELP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)[NH+]2CCCC2)c1 ZINC000684367759 550320352 /nfs/dbraw/zinc/32/03/52/550320352.db2.gz RUBBKNJQUSCWMP-RLLQIKCJSA-N 2 2 332.488 3.379 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000684379395 550322055 /nfs/dbraw/zinc/32/20/55/550322055.db2.gz FWTVMGASHHFAMN-YSIASYRMSA-N 2 2 346.515 3.434 10 0 EGAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684557933 550342878 /nfs/dbraw/zinc/34/28/78/550342878.db2.gz QNQAJQYZHCSWLC-GWMXKSKGSA-N 2 2 330.398 3.174 10 0 EGAELP Cn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000685629484 550434571 /nfs/dbraw/zinc/43/45/71/550434571.db2.gz LQTJWAUFNPNHDF-HNNXBMFYSA-N 2 2 347.422 3.204 10 0 EGAELP Cn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000685629484 550434574 /nfs/dbraw/zinc/43/45/74/550434574.db2.gz LQTJWAUFNPNHDF-HNNXBMFYSA-N 2 2 347.422 3.204 10 0 EGAELP C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783573 1296075745 /nfs/dbraw/zinc/07/57/45/1296075745.db2.gz AUDXTGUPQNVIIH-APWZRJJASA-N 2 2 341.455 3.351 10 0 EGAELP C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783573 1296075757 /nfs/dbraw/zinc/07/57/57/1296075757.db2.gz AUDXTGUPQNVIIH-APWZRJJASA-N 2 2 341.455 3.351 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000235474830 1296184700 /nfs/dbraw/zinc/18/47/00/1296184700.db2.gz YTYHMIQSQTXMAX-ZIAGYGMSSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@H]1CC[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000246409207 1296352512 /nfs/dbraw/zinc/35/25/12/1296352512.db2.gz BYMUIPHNZOEEQD-YVEFUNNKSA-N 2 2 331.370 3.052 10 0 EGAELP C[C@H]1CC[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000246409207 1296352525 /nfs/dbraw/zinc/35/25/25/1296352525.db2.gz BYMUIPHNZOEEQD-YVEFUNNKSA-N 2 2 331.370 3.052 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148684 1296766060 /nfs/dbraw/zinc/76/60/60/1296766060.db2.gz HBTNWWARLMTZAE-CABCVRRESA-N 2 2 330.394 3.388 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148684 1296766070 /nfs/dbraw/zinc/76/60/70/1296766070.db2.gz HBTNWWARLMTZAE-CABCVRRESA-N 2 2 330.394 3.388 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632004 /nfs/dbraw/zinc/63/20/04/1297632004.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632010 /nfs/dbraw/zinc/63/20/10/1297632010.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632019 /nfs/dbraw/zinc/63/20/19/1297632019.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632022 /nfs/dbraw/zinc/63/20/22/1297632022.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632030 /nfs/dbraw/zinc/63/20/30/1297632030.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 2 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632038 /nfs/dbraw/zinc/63/20/38/1297632038.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632042 /nfs/dbraw/zinc/63/20/42/1297632042.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632048 /nfs/dbraw/zinc/63/20/48/1297632048.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 2 2 329.532 3.361 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046307 1306190023 /nfs/dbraw/zinc/19/00/23/1306190023.db2.gz VJXXRCCJOYCSAZ-ZBFHGGJFSA-N 2 2 335.492 3.229 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046307 1306190027 /nfs/dbraw/zinc/19/00/27/1306190027.db2.gz VJXXRCCJOYCSAZ-ZBFHGGJFSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046307 1306190032 /nfs/dbraw/zinc/19/00/32/1306190032.db2.gz VJXXRCCJOYCSAZ-ZBFHGGJFSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046307 1306190036 /nfs/dbraw/zinc/19/00/36/1306190036.db2.gz VJXXRCCJOYCSAZ-ZBFHGGJFSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(C(=O)OC)s2)cc1 ZINC000894152850 1306248407 /nfs/dbraw/zinc/24/84/07/1306248407.db2.gz FHYMPFYORSQVNA-UHFFFAOYSA-N 2 2 347.484 3.061 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556894 1309400486 /nfs/dbraw/zinc/40/04/86/1309400486.db2.gz MKGHFPXFULOWMN-RHSMWYFYSA-N 2 2 344.484 3.100 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556894 1309400488 /nfs/dbraw/zinc/40/04/88/1309400488.db2.gz MKGHFPXFULOWMN-RHSMWYFYSA-N 2 2 344.484 3.100 10 0 EGAELP CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000895577531 1309410937 /nfs/dbraw/zinc/41/09/37/1309410937.db2.gz MNVIGAKKSKFFBF-CYBMUJFWSA-N 2 2 331.363 3.087 10 0 EGAELP CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000895577531 1309410940 /nfs/dbraw/zinc/41/09/40/1309410940.db2.gz MNVIGAKKSKFFBF-CYBMUJFWSA-N 2 2 331.363 3.087 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000896148828 1309720006 /nfs/dbraw/zinc/72/00/06/1309720006.db2.gz HLLIABXTKONZAM-SFHVURJKSA-N 2 2 346.519 3.041 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532620 1328790255 /nfs/dbraw/zinc/79/02/55/1328790255.db2.gz MAJRXPUOZYPSED-BEFAXECRSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532620 1328790257 /nfs/dbraw/zinc/79/02/57/1328790257.db2.gz MAJRXPUOZYPSED-BEFAXECRSA-N 2 2 343.471 3.311 10 0 EGAELP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000930614211 1328916309 /nfs/dbraw/zinc/91/63/09/1328916309.db2.gz USMJWDSQFUXNMI-SFHVURJKSA-N 2 2 338.536 3.083 10 0 EGAELP COc1ccc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000924796764 1323165476 /nfs/dbraw/zinc/16/54/76/1323165476.db2.gz WMYTWUSJQRLRFH-ZWKOTPCHSA-N 2 2 332.488 3.243 10 0 EGAELP COc1ccc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000924796764 1323165478 /nfs/dbraw/zinc/16/54/78/1323165478.db2.gz WMYTWUSJQRLRFH-ZWKOTPCHSA-N 2 2 332.488 3.243 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CCOCC1)c1ccccc1 ZINC000925109308 1323285956 /nfs/dbraw/zinc/28/59/56/1323285956.db2.gz CRWDKBISKKOASO-HLNWXESRSA-N 2 2 346.515 3.147 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533428 1325194979 /nfs/dbraw/zinc/19/49/79/1325194979.db2.gz BBAPWELBWVRDSI-AFYVEPGGSA-N 3 2 329.532 3.393 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533428 1325194984 /nfs/dbraw/zinc/19/49/84/1325194984.db2.gz BBAPWELBWVRDSI-AFYVEPGGSA-N 3 2 329.532 3.393 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1)C[NH+](C)C ZINC000926965689 1327801597 /nfs/dbraw/zinc/80/15/97/1327801597.db2.gz SCISGIHBYQPGSR-UZLBHIALSA-N 2 2 327.472 3.366 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927127401 1327881173 /nfs/dbraw/zinc/88/11/73/1327881173.db2.gz HERARWJHPZOMRM-HOJAQTOUSA-N 2 2 343.515 3.373 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927127401 1327881185 /nfs/dbraw/zinc/88/11/85/1327881185.db2.gz HERARWJHPZOMRM-HOJAQTOUSA-N 2 2 343.515 3.373 10 0 EGAELP C[C@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000865433995 1329696981 /nfs/dbraw/zinc/69/69/81/1329696981.db2.gz SHXGMFPADXRFHT-LLVKDONJSA-N 2 2 331.313 3.347 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cn(C4CC4)cn3)CC2)cc1 ZINC000865476312 1329702755 /nfs/dbraw/zinc/70/27/55/1329702755.db2.gz MCONOVJMCANYKW-UHFFFAOYSA-N 2 2 339.487 3.043 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865729239 1329733420 /nfs/dbraw/zinc/73/34/20/1329733420.db2.gz FIEZWDKMYLUOBL-IAGOWNOFSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865729239 1329733421 /nfs/dbraw/zinc/73/34/21/1329733421.db2.gz FIEZWDKMYLUOBL-IAGOWNOFSA-N 2 2 330.472 3.358 10 0 EGAELP COCCN(CC1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000865997485 1329757960 /nfs/dbraw/zinc/75/79/60/1329757960.db2.gz HYNGWVZGROWONU-UHFFFAOYSA-N 2 2 345.409 3.203 10 0 EGAELP COc1cc2cc[nH+]c(N3CC[N@H+](C)C(C)(C)CC3)c2cc1OC ZINC000866110124 1330066367 /nfs/dbraw/zinc/06/63/67/1330066367.db2.gz RIHBXNHOZGQATM-UHFFFAOYSA-N 2 2 329.444 3.173 10 0 EGAELP COc1cc2cc[nH+]c(N3CC[N@@H+](C)C(C)(C)CC3)c2cc1OC ZINC000866110124 1330066368 /nfs/dbraw/zinc/06/63/68/1330066368.db2.gz RIHBXNHOZGQATM-UHFFFAOYSA-N 2 2 329.444 3.173 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866225484 1330080765 /nfs/dbraw/zinc/08/07/65/1330080765.db2.gz ZTGUZXDIXOQYJU-PMACEKPBSA-N 2 2 325.456 3.369 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702895 1330142369 /nfs/dbraw/zinc/14/23/69/1330142369.db2.gz DMNZDWWNMUPUTK-AUUYWEPGSA-N 2 2 349.544 3.432 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702895 1330142371 /nfs/dbraw/zinc/14/23/71/1330142371.db2.gz DMNZDWWNMUPUTK-AUUYWEPGSA-N 2 2 349.544 3.432 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704932 1330143060 /nfs/dbraw/zinc/14/30/60/1330143060.db2.gz REDGGXRUWLTDMM-AUUYWEPGSA-N 2 2 335.467 3.158 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704932 1330143063 /nfs/dbraw/zinc/14/30/63/1330143063.db2.gz REDGGXRUWLTDMM-AUUYWEPGSA-N 2 2 335.467 3.158 10 0 EGAELP Cc1[nH+]c([C@@H](N[C@@H]2CCc3[nH+]ccn3C2)C(F)(F)F)c2ccccn12 ZINC000952877645 1334585678 /nfs/dbraw/zinc/58/56/78/1334585678.db2.gz SSIBYQPSRDDFTN-MLGOLLRUSA-N 2 2 349.360 3.047 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001323035398 1387271911 /nfs/dbraw/zinc/27/19/11/1387271911.db2.gz KJDDMAFAHFHWHG-MJRGOJFPSA-N 2 2 329.488 3.461 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262483 1387319089 /nfs/dbraw/zinc/31/90/89/1387319089.db2.gz OEHKULKBOCUPPV-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262483 1387319091 /nfs/dbraw/zinc/31/90/91/1387319091.db2.gz OEHKULKBOCUPPV-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721718 1387431021 /nfs/dbraw/zinc/43/10/21/1387431021.db2.gz IQZKJWXMSLTHFL-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721718 1387431023 /nfs/dbraw/zinc/43/10/23/1387431023.db2.gz IQZKJWXMSLTHFL-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001324068891 1387527204 /nfs/dbraw/zinc/52/72/04/1387527204.db2.gz WDCVQRSXEWJUPD-QAPCUYQASA-N 2 2 347.503 3.038 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001324321806 1387591273 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MIJZCHVARWNHAF-JROGSOPMSA-N 2 2 344.503 3.012 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)c[nH+]1 ZINC001326842301 1388326735 /nfs/dbraw/zinc/32/67/35/1388326735.db2.gz AKWFYDKZRROAAQ-UHFFFAOYSA-N 2 2 346.519 3.135 10 0 EGAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001327130368 1388394170 /nfs/dbraw/zinc/39/41/70/1388394170.db2.gz MJWOERWCSIIOMQ-MRXNPFEDSA-N 2 2 346.450 3.287 10 0 EGAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001327130368 1388394175 /nfs/dbraw/zinc/39/41/75/1388394175.db2.gz MJWOERWCSIIOMQ-MRXNPFEDSA-N 2 2 346.450 3.287 10 0 EGAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001265873322 1377170550 /nfs/dbraw/zinc/17/05/50/1377170550.db2.gz RJEFTPJCFUZOBN-HOTGVXAUSA-N 2 2 342.487 3.036 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001266103774 1377188012 /nfs/dbraw/zinc/18/80/12/1377188012.db2.gz XMLUZHIMMVUFMW-MSOLQXFVSA-N 2 2 334.508 3.049 10 0 EGAELP 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VGIPRZHIYTVOTL-IRXDYDNUSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001480737081 1392903368 /nfs/dbraw/zinc/90/33/68/1392903368.db2.gz VGIPRZHIYTVOTL-IRXDYDNUSA-N 2 2 334.508 3.193 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001480919062 1393019414 /nfs/dbraw/zinc/01/94/14/1393019414.db2.gz PWFPCSPCSAOQCO-ZWKOTPCHSA-N 2 2 342.487 3.260 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001480919062 1393019419 /nfs/dbraw/zinc/01/94/19/1393019419.db2.gz PWFPCSPCSAOQCO-ZWKOTPCHSA-N 2 2 342.487 3.260 10 0 EGAELP O=C(N[C@@H](C[NH2+]CCCF)C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001698882127 1406612197 /nfs/dbraw/zinc/61/21/97/1406612197.db2.gz UUKVJWYNQDZVAH-SFHVURJKSA-N 2 2 346.450 3.191 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698937188 1406677452 /nfs/dbraw/zinc/67/74/52/1406677452.db2.gz IQTMYSCNNWJPHG-RDJZCZTQSA-N 2 2 334.508 3.058 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433666 1394289464 /nfs/dbraw/zinc/28/94/64/1394289464.db2.gz ZOTSAFMYGXNJPE-NVXWUHKLSA-N 2 2 342.487 3.131 10 0 EGAELP CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433666 1394289468 /nfs/dbraw/zinc/28/94/68/1394289468.db2.gz ZOTSAFMYGXNJPE-NVXWUHKLSA-N 2 2 342.487 3.131 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490774538 1394338524 /nfs/dbraw/zinc/33/85/24/1394338524.db2.gz RZIIZWBFYOLJCE-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490774538 1394338527 /nfs/dbraw/zinc/33/85/27/1394338527.db2.gz RZIIZWBFYOLJCE-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1C[NH+](CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001481565917 1394408227 /nfs/dbraw/zinc/40/82/27/1394408227.db2.gz SRLRLORCBWSSTP-TVPLGVNVSA-N 2 2 346.519 3.097 10 0 EGAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745877 1394490746 /nfs/dbraw/zinc/49/07/46/1394490746.db2.gz VOEIMXLQBRPTFA-MJGOQNOKSA-N 2 2 344.503 3.257 10 0 EGAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745877 1394490749 /nfs/dbraw/zinc/49/07/49/1394490749.db2.gz VOEIMXLQBRPTFA-MJGOQNOKSA-N 2 2 344.503 3.257 10 0 EGAELP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1C[NH2+]CCCCCF ZINC001491254802 1394493443 /nfs/dbraw/zinc/49/34/43/1394493443.db2.gz ZHYYTSYGXCSJDT-INIZCTEOSA-N 2 2 346.450 3.058 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001481990560 1394651190 /nfs/dbraw/zinc/65/11/90/1394651190.db2.gz AYKDUFABOPHLGE-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCC(C)(C)C ZINC001698965242 1406723442 /nfs/dbraw/zinc/72/34/42/1406723442.db2.gz DDZBTZCVPMZUJT-FUHWJXTLSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001698967461 1406727509 /nfs/dbraw/zinc/72/75/09/1406727509.db2.gz LWFUWVPFBSSBSE-INIZCTEOSA-N 2 2 330.476 3.115 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001482497106 1395049137 /nfs/dbraw/zinc/04/91/37/1395049137.db2.gz BOCHXSVYXAKXAV-QXJVMSCWSA-N 2 2 346.519 3.224 10 0 EGAELP CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CC2=CCCCC2)CC1 ZINC001484137175 1395273905 /nfs/dbraw/zinc/27/39/05/1395273905.db2.gz LQCMPMLHMRAMAC-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CC2=CCCCC2)CC1 ZINC001484137175 1395273907 /nfs/dbraw/zinc/27/39/07/1395273907.db2.gz LQCMPMLHMRAMAC-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001484374441 1395349404 /nfs/dbraw/zinc/34/94/04/1395349404.db2.gz VTDXYFOGCGOZLG-KBXCAEBGSA-N 2 2 329.488 3.105 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466395 1395404203 /nfs/dbraw/zinc/40/42/03/1395404203.db2.gz SYXKQZBEWNWHOV-ZYHOBAKYSA-N 2 2 344.503 3.072 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466395 1395404208 /nfs/dbraw/zinc/40/42/08/1395404208.db2.gz SYXKQZBEWNWHOV-ZYHOBAKYSA-N 2 2 344.503 3.072 10 0 EGAELP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484525526 1395416194 /nfs/dbraw/zinc/41/61/94/1395416194.db2.gz HOVWVECILWWISE-IPLHWJFFSA-N 2 2 346.519 3.111 10 0 EGAELP CCCC[NH2+]C1(CC)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001484811890 1395547114 /nfs/dbraw/zinc/54/71/14/1395547114.db2.gz CINAOYYLZHTUDX-UHFFFAOYSA-N 2 2 342.487 3.417 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485483551 1395969558 /nfs/dbraw/zinc/96/95/58/1395969558.db2.gz WTXJISQVSGAGQN-QFBILLFUSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485483551 1395969564 /nfs/dbraw/zinc/96/95/64/1395969564.db2.gz WTXJISQVSGAGQN-QFBILLFUSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485483551 1395969565 /nfs/dbraw/zinc/96/95/65/1395969565.db2.gz WTXJISQVSGAGQN-QFBILLFUSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485483551 1395969568 /nfs/dbraw/zinc/96/95/68/1395969568.db2.gz WTXJISQVSGAGQN-QFBILLFUSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001485570412 1396036681 /nfs/dbraw/zinc/03/66/81/1396036681.db2.gz UAENWEJCRJWMCI-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001485570412 1396036688 /nfs/dbraw/zinc/03/66/88/1396036688.db2.gz UAENWEJCRJWMCI-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001689298626 1397025087 /nfs/dbraw/zinc/02/50/87/1397025087.db2.gz KRLVEQRDPJWMLM-FGTMMUONSA-N 2 2 334.508 3.240 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001689298626 1397025100 /nfs/dbraw/zinc/02/51/00/1397025100.db2.gz KRLVEQRDPJWMLM-FGTMMUONSA-N 2 2 334.508 3.240 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCC2CC2)C1 ZINC001689365425 1403704545 /nfs/dbraw/zinc/70/45/45/1403704545.db2.gz GCGDOEYHARHHGN-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCC2CC2)C1 ZINC001689365425 1403704547 /nfs/dbraw/zinc/70/45/47/1403704547.db2.gz GCGDOEYHARHHGN-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001691667303 1405400838 /nfs/dbraw/zinc/40/08/38/1405400838.db2.gz PIXDODSGMJYDMO-BMGDILEWSA-N 2 2 346.519 3.166 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001691667303 1405400843 /nfs/dbraw/zinc/40/08/43/1405400843.db2.gz PIXDODSGMJYDMO-BMGDILEWSA-N 2 2 346.519 3.166 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001691960908 1405678086 /nfs/dbraw/zinc/67/80/86/1405678086.db2.gz XJDRDGMZZGCHHB-CHYADLBTSA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691989148 1405701346 /nfs/dbraw/zinc/70/13/46/1405701346.db2.gz AJLRWGSRPDXRRP-IAGOWNOFSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691989148 1405701348 /nfs/dbraw/zinc/70/13/48/1405701348.db2.gz AJLRWGSRPDXRRP-IAGOWNOFSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692121581 1405784233 /nfs/dbraw/zinc/78/42/33/1405784233.db2.gz VQOGDFDZQYVGMU-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692121581 1405784237 /nfs/dbraw/zinc/78/42/37/1405784237.db2.gz VQOGDFDZQYVGMU-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3C[N@@H+](C)CC(C)C)ccn12 ZINC001692252311 1405876936 /nfs/dbraw/zinc/87/69/36/1405876936.db2.gz KASGMNVKRXITDX-SFHVURJKSA-N 2 2 342.487 3.225 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3C[N@H+](C)CC(C)C)ccn12 ZINC001692252311 1405876941 /nfs/dbraw/zinc/87/69/41/1405876941.db2.gz KASGMNVKRXITDX-SFHVURJKSA-N 2 2 342.487 3.225 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001692254601 1405880579 /nfs/dbraw/zinc/88/05/79/1405880579.db2.gz LCDZYKYBWUCLEY-OALUTQOASA-N 2 2 348.535 3.439 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001692254601 1405880582 /nfs/dbraw/zinc/88/05/82/1405880582.db2.gz LCDZYKYBWUCLEY-OALUTQOASA-N 2 2 348.535 3.439 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001692334381 1405954280 /nfs/dbraw/zinc/95/42/80/1405954280.db2.gz UGWKPILOYUTLHQ-XDXAGZTOSA-N 2 2 346.519 3.070 10 0 EGAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732214599 1428462823 /nfs/dbraw/zinc/46/28/23/1428462823.db2.gz AIJJGVSYLWCPHU-WBVHZDCISA-N 2 2 348.535 3.289 10 0 EGAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732214599 1428462825 /nfs/dbraw/zinc/46/28/25/1428462825.db2.gz AIJJGVSYLWCPHU-WBVHZDCISA-N 2 2 348.535 3.289 10 0 EGAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732441031 1428582301 /nfs/dbraw/zinc/58/23/01/1428582301.db2.gz RMKAYHHDQUEDFQ-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001699163205 1412545900 /nfs/dbraw/zinc/54/59/00/1412545900.db2.gz KAKFDMQNGJYEDK-SJORKVTESA-N 2 2 342.487 3.252 10 0 EGAELP O=C(NC/C=C/C[NH2+]CC1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001699287199 1412616317 /nfs/dbraw/zinc/61/63/17/1412616317.db2.gz RXVIXVCIADDLQP-AATRIKPKSA-N 2 2 340.471 3.180 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699481433 1412875861 /nfs/dbraw/zinc/87/58/61/1412875861.db2.gz NUDXNFPNWFFUMA-HOCLYGCPSA-N 2 2 328.460 3.241 10 0 EGAELP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001699680209 1413074861 /nfs/dbraw/zinc/07/48/61/1413074861.db2.gz CSOKFEMIDBNXNT-AYHJJNSGSA-N 2 2 346.519 3.045 10 0 EGAELP CC[C@H](C)C[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001699684473 1413081817 /nfs/dbraw/zinc/08/18/17/1413081817.db2.gz KZZYRNBDFJEMNJ-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP CC[C@H](C)C[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001699684473 1413081824 /nfs/dbraw/zinc/08/18/24/1413081824.db2.gz KZZYRNBDFJEMNJ-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP CC[C@@H](C)C[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001699684976 1413082179 /nfs/dbraw/zinc/08/21/79/1413082179.db2.gz ZOFLPNDQLIUQKE-MRXNPFEDSA-N 2 2 348.535 3.448 10 0 EGAELP CC[C@@H](C)C[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001699684976 1413082181 /nfs/dbraw/zinc/08/21/81/1413082181.db2.gz ZOFLPNDQLIUQKE-MRXNPFEDSA-N 2 2 348.535 3.448 10 0 EGAELP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699819413 1413240027 /nfs/dbraw/zinc/24/00/27/1413240027.db2.gz IROMRUKJFZLZCK-PKOBYXMFSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699819413 1413240030 /nfs/dbraw/zinc/24/00/30/1413240030.db2.gz IROMRUKJFZLZCK-PKOBYXMFSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001699853775 1413284285 /nfs/dbraw/zinc/28/42/85/1413284285.db2.gz GRKBTQDZQQXAKW-JXFKEZNVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001699853775 1413284287 /nfs/dbraw/zinc/28/42/87/1413284287.db2.gz GRKBTQDZQQXAKW-JXFKEZNVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001699853775 1413284291 /nfs/dbraw/zinc/28/42/91/1413284291.db2.gz GRKBTQDZQQXAKW-JXFKEZNVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001699853775 1413284293 /nfs/dbraw/zinc/28/42/93/1413284293.db2.gz GRKBTQDZQQXAKW-JXFKEZNVSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878352 1413342022 /nfs/dbraw/zinc/34/20/22/1413342022.db2.gz SJXUGCNJGJYOSZ-HKUYNNGSSA-N 2 2 334.508 3.243 10 0 EGAELP CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878352 1413342027 /nfs/dbraw/zinc/34/20/27/1413342027.db2.gz SJXUGCNJGJYOSZ-HKUYNNGSSA-N 2 2 334.508 3.243 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016112 1413462158 /nfs/dbraw/zinc/46/21/58/1413462158.db2.gz IQLPMCQDDRDXRR-RTBURBONSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016112 1413462161 /nfs/dbraw/zinc/46/21/61/1413462161.db2.gz IQLPMCQDDRDXRR-RTBURBONSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001700230470 1413688674 /nfs/dbraw/zinc/68/86/74/1413688674.db2.gz SYXFLRLSRWNEPQ-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001700230470 1413688678 /nfs/dbraw/zinc/68/86/78/1413688678.db2.gz SYXFLRLSRWNEPQ-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700352734 1413847594 /nfs/dbraw/zinc/84/75/94/1413847594.db2.gz FNVRNOFDFVCURB-SFHVURJKSA-N 2 2 340.471 3.145 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700352734 1413847599 /nfs/dbraw/zinc/84/75/99/1413847599.db2.gz FNVRNOFDFVCURB-SFHVURJKSA-N 2 2 340.471 3.145 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCC1CCCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001700446551 1414023008 /nfs/dbraw/zinc/02/30/08/1414023008.db2.gz QSMJYRFDCGADEI-UHFFFAOYSA-N 2 2 348.535 3.387 10 0 EGAELP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700469752 1414084829 /nfs/dbraw/zinc/08/48/29/1414084829.db2.gz KXJFSPYUSZNCQE-KRWDZBQOSA-N 2 2 342.487 3.359 10 0 EGAELP CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700469752 1414084832 /nfs/dbraw/zinc/08/48/32/1414084832.db2.gz 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CC(C)(C)CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001700864519 1414515535 /nfs/dbraw/zinc/51/55/35/1414515535.db2.gz GQBBCFOBQRLWOJ-YLJYHZDGSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001700864519 1414515537 /nfs/dbraw/zinc/51/55/37/1414515537.db2.gz GQBBCFOBQRLWOJ-YLJYHZDGSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001700864519 1414515539 /nfs/dbraw/zinc/51/55/39/1414515539.db2.gz GQBBCFOBQRLWOJ-YLJYHZDGSA-N 2 2 346.519 3.282 10 0 EGAELP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707134245 1417216309 /nfs/dbraw/zinc/21/63/09/1417216309.db2.gz MNWOTQRHHOEMDO-RDTXWAMCSA-N 2 2 328.460 3.193 10 0 EGAELP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001707176439 1417229486 /nfs/dbraw/zinc/22/94/86/1417229486.db2.gz GMGDAQBMNSUGAI-QZTJIDSGSA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001713457245 1418109636 /nfs/dbraw/zinc/10/96/36/1418109636.db2.gz SLXBQWKQZMRDSB-HKUYNNGSSA-N 2 2 342.487 3.280 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001713457245 1418109640 /nfs/dbraw/zinc/10/96/40/1418109640.db2.gz SLXBQWKQZMRDSB-HKUYNNGSSA-N 2 2 342.487 3.280 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC1CC(C)C1 ZINC001713690941 1418444428 /nfs/dbraw/zinc/44/44/28/1418444428.db2.gz HLOUYMMHIMARNY-UHFFFAOYSA-N 2 2 342.487 3.211 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC1CC(C)C1 ZINC001713690941 1418444430 /nfs/dbraw/zinc/44/44/30/1418444430.db2.gz HLOUYMMHIMARNY-UHFFFAOYSA-N 2 2 342.487 3.211 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001713717922 1418486068 /nfs/dbraw/zinc/48/60/68/1418486068.db2.gz VZTBAZCGWHNZEJ-KRWDZBQOSA-N 2 2 340.471 3.456 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001713717922 1418486070 /nfs/dbraw/zinc/48/60/70/1418486070.db2.gz VZTBAZCGWHNZEJ-KRWDZBQOSA-N 2 2 340.471 3.456 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713849980 1418645827 /nfs/dbraw/zinc/64/58/27/1418645827.db2.gz OKGYCFUBPREMHH-ZWKOTPCHSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001714185781 1418992992 /nfs/dbraw/zinc/99/29/92/1418992992.db2.gz DDBPBFODOWORIM-PXNSSMCTSA-N 2 2 348.535 3.364 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714257925 1419042113 /nfs/dbraw/zinc/04/21/13/1419042113.db2.gz IBXKBBJSWVHLRJ-INIZCTEOSA-N 2 2 328.460 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2c(C)cccc2C)c(C)[nH+]1 ZINC001714738617 1419488872 /nfs/dbraw/zinc/48/88/72/1419488872.db2.gz YQUZKACGGDJZBJ-UHFFFAOYSA-N 2 2 339.483 3.486 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895519 1419635615 /nfs/dbraw/zinc/63/56/15/1419635615.db2.gz KSFUBADEZGFABF-LKGOPFMKSA-N 2 2 346.519 3.063 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895519 1419635617 /nfs/dbraw/zinc/63/56/17/1419635617.db2.gz KSFUBADEZGFABF-LKGOPFMKSA-N 2 2 346.519 3.063 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001715098702 1419839748 /nfs/dbraw/zinc/83/97/48/1419839748.db2.gz YCRWGCCANZVPDM-UHFFFAOYSA-N 2 2 346.519 3.262 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715387774 1420084462 /nfs/dbraw/zinc/08/44/62/1420084462.db2.gz LYMJLBQKPMDOPJ-AEFFLSMTSA-N 2 2 342.487 3.211 10 0 EGAELP CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715744772 1420321708 /nfs/dbraw/zinc/32/17/08/1420321708.db2.gz TWEJNKBNRBPROH-OAGGEKHMSA-N 2 2 340.471 3.051 10 0 EGAELP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715745533 1420322132 /nfs/dbraw/zinc/32/21/32/1420322132.db2.gz YIEOXOYRFYCTOS-UHFFFAOYSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001715950775 1420417591 /nfs/dbraw/zinc/41/75/91/1420417591.db2.gz DCUZTYWFGIDJFA-JKSUJKDBSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001715950775 1420417593 /nfs/dbraw/zinc/41/75/93/1420417593.db2.gz DCUZTYWFGIDJFA-JKSUJKDBSA-N 2 2 342.487 3.006 10 0 EGAELP CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)CCCn1cc[nH+]c1 ZINC001716023566 1420479439 /nfs/dbraw/zinc/47/94/39/1420479439.db2.gz KBIGIVNOGTUHHY-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)CCCn1cc[nH+]c1 ZINC001716023566 1420479441 /nfs/dbraw/zinc/47/94/41/1420479441.db2.gz KBIGIVNOGTUHHY-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001716062300 1420522158 /nfs/dbraw/zinc/52/21/58/1420522158.db2.gz FDYWNENCZAWTKY-DLBZAZTESA-N 2 2 348.535 3.237 10 0 EGAELP O=C(NCC=CC[NH2+]CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716309630 1420599853 /nfs/dbraw/zinc/59/98/53/1420599853.db2.gz GLSAQZXLFHIDPA-PLNGDYQASA-N 2 2 340.471 3.409 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001717283513 1421234110 /nfs/dbraw/zinc/23/41/10/1421234110.db2.gz LDQWMVJCQDYEDW-PBHICJAKSA-N 2 2 335.467 3.197 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312119 1421256948 /nfs/dbraw/zinc/25/69/48/1421256948.db2.gz PHVPLCSEDKAIOX-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312119 1421256950 /nfs/dbraw/zinc/25/69/50/1421256950.db2.gz PHVPLCSEDKAIOX-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312119 1421256952 /nfs/dbraw/zinc/25/69/52/1421256952.db2.gz PHVPLCSEDKAIOX-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312119 1421256953 /nfs/dbraw/zinc/25/69/53/1421256953.db2.gz PHVPLCSEDKAIOX-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373306 1421314091 /nfs/dbraw/zinc/31/40/91/1421314091.db2.gz HFVKDYLHWUSUBU-SJORKVTESA-N 2 2 348.535 3.292 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373306 1421314097 /nfs/dbraw/zinc/31/40/97/1421314097.db2.gz HFVKDYLHWUSUBU-SJORKVTESA-N 2 2 348.535 3.292 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC(C)C)[nH+]c12 ZINC001717428344 1421357307 /nfs/dbraw/zinc/35/73/07/1421357307.db2.gz GBIQVQUWGJUSKT-IAGOWNOFSA-N 2 2 344.503 3.104 10 0 EGAELP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717733801 1421598872 /nfs/dbraw/zinc/59/88/72/1421598872.db2.gz PZUXVHRIAWGPDQ-IBGZPJMESA-N 2 2 340.471 3.113 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001717847269 1421661421 /nfs/dbraw/zinc/66/14/21/1421661421.db2.gz JUVJFBVXKXJOJQ-QXAKKESOSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001717847269 1421661423 /nfs/dbraw/zinc/66/14/23/1421661423.db2.gz JUVJFBVXKXJOJQ-QXAKKESOSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C[NH2+]CC2CCCC2)C(C)(C)C)c[nH+]1 ZINC001717962629 1421734006 /nfs/dbraw/zinc/73/40/06/1421734006.db2.gz JICCMNYVEQARGY-QGZVFWFLSA-N 2 2 348.535 3.237 10 0 EGAELP C[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001723577073 1424471147 /nfs/dbraw/zinc/47/11/47/1424471147.db2.gz HUTVBPURWXTRTG-HNNXBMFYSA-N 2 2 348.450 3.105 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001733549432 1429750348 /nfs/dbraw/zinc/75/03/48/1429750348.db2.gz KSFFTICXIWFLPR-HOCLYGCPSA-N 2 2 342.487 3.297 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001724755565 1425126124 /nfs/dbraw/zinc/12/61/24/1425126124.db2.gz RULODLMWEXJKLZ-WGSAOQKQSA-N 2 2 346.519 3.118 10 0 EGAELP O=C(NCC1([NH2+]CCC2=CCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001724786122 1425152991 /nfs/dbraw/zinc/15/29/91/1425152991.db2.gz WALYMJNSPLFKJK-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP O=C(NCC1([NH2+]CCC2=CCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001724786122 1425152995 /nfs/dbraw/zinc/15/29/95/1425152995.db2.gz WALYMJNSPLFKJK-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683519 1426371323 /nfs/dbraw/zinc/37/13/23/1426371323.db2.gz XGRUQEMCMCEYSM-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683519 1426371326 /nfs/dbraw/zinc/37/13/26/1426371326.db2.gz XGRUQEMCMCEYSM-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP CCCCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001725742909 1426419537 /nfs/dbraw/zinc/41/95/37/1426419537.db2.gz BQHDOOMOFJQIQT-KRWDZBQOSA-N 2 2 330.476 3.487 10 0 EGAELP C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C(C)(C)C)n1cc[nH+]c1 ZINC001725749273 1426427408 /nfs/dbraw/zinc/42/74/08/1426427408.db2.gz DUCZHUARTCACJJ-HOCLYGCPSA-N 2 2 348.516 3.216 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731597909 1427640708 /nfs/dbraw/zinc/64/07/08/1427640708.db2.gz FFEDIRVUFNTWAM-NVXWUHKLSA-N 2 2 334.508 3.001 10 0 EGAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001731804177 1427972385 /nfs/dbraw/zinc/97/23/85/1427972385.db2.gz FNZNHJCJKRUUCG-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001731804177 1427972389 /nfs/dbraw/zinc/97/23/89/1427972389.db2.gz FNZNHJCJKRUUCG-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cc(C)ccc1C ZINC001731804177 1427972394 /nfs/dbraw/zinc/97/23/94/1427972394.db2.gz FNZNHJCJKRUUCG-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cc(C)ccc1C ZINC001731804177 1427972398 /nfs/dbraw/zinc/97/23/98/1427972398.db2.gz FNZNHJCJKRUUCG-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001731920735 1428170999 /nfs/dbraw/zinc/17/09/99/1428170999.db2.gz JTAALMRIDLBKJE-IBGZPJMESA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731975065 1428190977 /nfs/dbraw/zinc/19/09/77/1428190977.db2.gz OACGLNWHWQDPQC-UHFFFAOYSA-N 2 2 342.487 3.059 10 0 EGAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001733985696 1437782088 /nfs/dbraw/zinc/78/20/88/1437782088.db2.gz PSWNWZWJKOEIKH-IAGOWNOFSA-N 2 2 334.508 3.117 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001733986769 1437782849 /nfs/dbraw/zinc/78/28/49/1437782849.db2.gz YLHLGCWRFSQLMG-HUUCEWRRSA-N 2 2 345.512 3.407 10 0 EGAELP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001734014141 1437805186 /nfs/dbraw/zinc/80/51/86/1437805186.db2.gz XGWCMJJROAZNED-WAYWQWQTSA-N 2 2 332.492 3.058 10 0 EGAELP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734104610 1437890914 /nfs/dbraw/zinc/89/09/14/1437890914.db2.gz WBZRZKPPTRAVAX-SFHVURJKSA-N 2 2 346.519 3.254 10 0 EGAELP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734104610 1437890915 /nfs/dbraw/zinc/89/09/15/1437890915.db2.gz WBZRZKPPTRAVAX-SFHVURJKSA-N 2 2 346.519 3.254 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001734351985 1438070116 /nfs/dbraw/zinc/07/01/16/1438070116.db2.gz WLYBVCQLLCJIRB-JKSUJKDBSA-N 2 2 342.487 3.193 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001734440558 1438102796 /nfs/dbraw/zinc/10/27/96/1438102796.db2.gz DXIXUZYABMJVLR-QUOWSDGJSA-N 2 2 344.503 3.133 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001734440558 1438102798 /nfs/dbraw/zinc/10/27/98/1438102798.db2.gz DXIXUZYABMJVLR-QUOWSDGJSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001734577909 1438170388 /nfs/dbraw/zinc/17/03/88/1438170388.db2.gz PDKKPHLLKOARTN-FYCOFBDGSA-N 2 2 346.519 3.224 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001734584821 1438175266 /nfs/dbraw/zinc/17/52/66/1438175266.db2.gz UOYDFNXCQNMJGC-INIZCTEOSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944118 1440117349 /nfs/dbraw/zinc/11/73/49/1440117349.db2.gz FBVHOKUSMPCVNB-ZWKOTPCHSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944118 1440117350 /nfs/dbraw/zinc/11/73/50/1440117350.db2.gz FBVHOKUSMPCVNB-ZWKOTPCHSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750943891 1440117532 /nfs/dbraw/zinc/11/75/32/1440117532.db2.gz IDGIVFAXDBDCIB-GOSISDBHSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750943891 1440117533 /nfs/dbraw/zinc/11/75/33/1440117533.db2.gz IDGIVFAXDBDCIB-GOSISDBHSA-N 2 2 348.535 3.316 10 0 EGAELP COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178446953 232169644 /nfs/dbraw/zinc/16/96/44/232169644.db2.gz SQXVUGBROQHGKE-KXBFYZLASA-N 2 2 337.423 3.265 10 0 EGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccsc2Br)C1 ZINC000529569949 313359027 /nfs/dbraw/zinc/35/90/27/313359027.db2.gz SBWRSDOASYPIFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccsc2Br)C1 ZINC000529569949 313359032 /nfs/dbraw/zinc/35/90/32/313359032.db2.gz SBWRSDOASYPIFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cs1 ZINC000193990580 240391624 /nfs/dbraw/zinc/39/16/24/240391624.db2.gz PXMLTQKIBRSCDM-DGCLKSJQSA-N 2 2 347.322 3.008 10 0 EGAELP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812539 218169497 /nfs/dbraw/zinc/16/94/97/218169497.db2.gz NAEXKFSMRSZYRE-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812539 218169500 /nfs/dbraw/zinc/16/95/00/218169500.db2.gz NAEXKFSMRSZYRE-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000361021624 285039598 /nfs/dbraw/zinc/03/95/98/285039598.db2.gz BMJRLOYJCOEBCA-RDJZCZTQSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000361021624 285039599 /nfs/dbraw/zinc/03/95/99/285039599.db2.gz BMJRLOYJCOEBCA-RDJZCZTQSA-N 2 2 338.879 3.254 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328632543 258028401 /nfs/dbraw/zinc/02/84/01/258028401.db2.gz LJYGNZSZJCIQIG-MAUKXSAKSA-N 2 2 332.517 3.387 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328632543 258028402 /nfs/dbraw/zinc/02/84/02/258028402.db2.gz LJYGNZSZJCIQIG-MAUKXSAKSA-N 2 2 332.517 3.387 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328632543 258028403 /nfs/dbraw/zinc/02/84/03/258028403.db2.gz LJYGNZSZJCIQIG-MAUKXSAKSA-N 2 2 332.517 3.387 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328632543 258028404 /nfs/dbraw/zinc/02/84/04/258028404.db2.gz LJYGNZSZJCIQIG-MAUKXSAKSA-N 2 2 332.517 3.387 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622030 258035282 /nfs/dbraw/zinc/03/52/82/258035282.db2.gz AWZJZJKLRFYXFH-XLIONFOSSA-N 3 2 346.519 3.027 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622058 258035314 /nfs/dbraw/zinc/03/53/14/258035314.db2.gz AYNZTWFJPLTXCT-QSFXBCCZSA-N 2 2 327.447 3.434 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622058 258035315 /nfs/dbraw/zinc/03/53/15/258035315.db2.gz AYNZTWFJPLTXCT-QSFXBCCZSA-N 2 2 327.447 3.434 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526057 141013781 /nfs/dbraw/zinc/01/37/81/141013781.db2.gz ADCAIEKHXCVQLE-YLJYHZDGSA-N 2 2 337.467 3.194 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526057 141013784 /nfs/dbraw/zinc/01/37/84/141013784.db2.gz ADCAIEKHXCVQLE-YLJYHZDGSA-N 2 2 337.467 3.194 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526057 141013787 /nfs/dbraw/zinc/01/37/87/141013787.db2.gz ADCAIEKHXCVQLE-YLJYHZDGSA-N 2 2 337.467 3.194 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526057 141013789 /nfs/dbraw/zinc/01/37/89/141013789.db2.gz ADCAIEKHXCVQLE-YLJYHZDGSA-N 2 2 337.467 3.194 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348061741 141237373 /nfs/dbraw/zinc/23/73/73/141237373.db2.gz JKACCUGNQDEVBL-RTBURBONSA-N 3 2 330.520 3.008 10 0 EGAELP CC[NH+]1CCN(c2cccc(NCc3cc(OC)cc(C)[nH+]3)c2)CC1 ZINC000352970601 141279819 /nfs/dbraw/zinc/27/98/19/141279819.db2.gz LESJKZUCEJUCCV-UHFFFAOYSA-N 2 2 340.471 3.153 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174896038 144053939 /nfs/dbraw/zinc/05/39/39/144053939.db2.gz DKIBHIOROAXFPX-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630031 144073402 /nfs/dbraw/zinc/07/34/02/144073402.db2.gz QPIJTIIRWAIRKJ-OLZOCXBDSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630031 144073403 /nfs/dbraw/zinc/07/34/03/144073403.db2.gz QPIJTIIRWAIRKJ-OLZOCXBDSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630031 144073404 /nfs/dbraw/zinc/07/34/04/144073404.db2.gz QPIJTIIRWAIRKJ-OLZOCXBDSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630031 144073405 /nfs/dbraw/zinc/07/34/05/144073405.db2.gz QPIJTIIRWAIRKJ-OLZOCXBDSA-N 2 2 329.307 3.427 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269092 144156095 /nfs/dbraw/zinc/15/60/95/144156095.db2.gz ZDBCAGRFPYTNSU-CZUORRHYSA-N 2 2 333.501 3.467 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269092 144156097 /nfs/dbraw/zinc/15/60/97/144156097.db2.gz ZDBCAGRFPYTNSU-CZUORRHYSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269092 144156099 /nfs/dbraw/zinc/15/60/99/144156099.db2.gz ZDBCAGRFPYTNSU-CZUORRHYSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000187269092 144156101 /nfs/dbraw/zinc/15/61/01/144156101.db2.gz ZDBCAGRFPYTNSU-CZUORRHYSA-N 2 2 333.501 3.467 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192687642 144177802 /nfs/dbraw/zinc/17/78/02/144177802.db2.gz AGBQRCQZLSKAFW-SEJPIABJSA-N 3 2 327.516 3.174 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192687642 144177803 /nfs/dbraw/zinc/17/78/03/144177803.db2.gz AGBQRCQZLSKAFW-SEJPIABJSA-N 3 2 327.516 3.174 10 0 EGAELP Cc1ccc(C[N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000351861368 144316839 /nfs/dbraw/zinc/31/68/39/144316839.db2.gz ZKVLALQAKZGHNH-UHFFFAOYSA-N 2 2 327.472 3.232 10 0 EGAELP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000351861368 144316840 /nfs/dbraw/zinc/31/68/40/144316840.db2.gz ZKVLALQAKZGHNH-UHFFFAOYSA-N 2 2 327.472 3.232 10 0 EGAELP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CC)C(=O)OCC ZINC000361651444 144343255 /nfs/dbraw/zinc/34/32/55/144343255.db2.gz CWHSSXPCIPHKNT-INIZCTEOSA-N 2 2 335.473 3.488 10 0 EGAELP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CC)C(=O)OCC ZINC000361651444 144343257 /nfs/dbraw/zinc/34/32/57/144343257.db2.gz CWHSSXPCIPHKNT-INIZCTEOSA-N 2 2 335.473 3.488 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000119700994 152222902 /nfs/dbraw/zinc/22/29/02/152222902.db2.gz WMPCWPGPFQQLMP-CYBMUJFWSA-N 2 2 345.878 3.198 10 0 EGAELP CCO[C@H](C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000120724344 152295210 /nfs/dbraw/zinc/29/52/10/152295210.db2.gz JITSMTYEJWIOJX-CQSZACIVSA-N 2 2 348.516 3.429 10 0 EGAELP Cc1ccnc(N2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)c1 ZINC000120926642 152312195 /nfs/dbraw/zinc/31/21/95/152312195.db2.gz YRMKHHPSKYVIAQ-UHFFFAOYSA-N 2 2 330.501 3.367 10 0 EGAELP Cc1cc[nH+]c(N2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)c1 ZINC000120926642 152312200 /nfs/dbraw/zinc/31/22/00/152312200.db2.gz YRMKHHPSKYVIAQ-UHFFFAOYSA-N 2 2 330.501 3.367 10 0 EGAELP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188410571 153015407 /nfs/dbraw/zinc/01/54/07/153015407.db2.gz HHLMURDDXTYFNK-CQSZACIVSA-N 2 2 325.334 3.446 10 0 EGAELP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188410571 153015408 /nfs/dbraw/zinc/01/54/08/153015408.db2.gz HHLMURDDXTYFNK-CQSZACIVSA-N 2 2 325.334 3.446 10 0 EGAELP Cc1ccc2cc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)ccc2n1 ZINC000189248742 153059803 /nfs/dbraw/zinc/05/98/03/153059803.db2.gz YBZMDIIEGVSRIA-UHFFFAOYSA-N 2 2 329.407 3.414 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191341002 153189102 /nfs/dbraw/zinc/18/91/02/153189102.db2.gz WMNKIGLMNWMILR-UHFFFAOYSA-N 2 2 338.249 3.230 10 0 EGAELP COCC[N@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191935095 153232208 /nfs/dbraw/zinc/23/22/08/153232208.db2.gz PMARRRZTPLKKOG-UHFFFAOYSA-N 2 2 325.412 3.422 10 0 EGAELP COCC[N@@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191935095 153232210 /nfs/dbraw/zinc/23/22/10/153232210.db2.gz PMARRRZTPLKKOG-UHFFFAOYSA-N 2 2 325.412 3.422 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000192762229 153258283 /nfs/dbraw/zinc/25/82/83/153258283.db2.gz LFCGNBJZIPNQJJ-KGLIPLIRSA-N 2 2 337.427 3.397 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878653 163085606 /nfs/dbraw/zinc/08/56/06/163085606.db2.gz HHWALQAQANTSQX-LRDDRELGSA-N 2 2 332.448 3.109 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878653 163085608 /nfs/dbraw/zinc/08/56/08/163085608.db2.gz HHWALQAQANTSQX-LRDDRELGSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878653 163085611 /nfs/dbraw/zinc/08/56/11/163085611.db2.gz HHWALQAQANTSQX-LRDDRELGSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878653 163085615 /nfs/dbraw/zinc/08/56/15/163085615.db2.gz HHWALQAQANTSQX-LRDDRELGSA-N 2 2 332.448 3.109 10 0 EGAELP CCOc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)ccc1OC ZINC000343637288 164000597 /nfs/dbraw/zinc/00/05/97/164000597.db2.gz JKWGEVNXSQQXCU-UHFFFAOYSA-N 2 2 341.455 3.120 10 0 EGAELP O[C@@H](CCc1ccccc1)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344376801 164166842 /nfs/dbraw/zinc/16/68/42/164166842.db2.gz MZPZGPSFXCJIDS-KRWDZBQOSA-N 2 2 327.453 3.017 10 0 EGAELP Cc1cn2cc(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)ccc2[nH+]1 ZINC000345249393 164202282 /nfs/dbraw/zinc/20/22/82/164202282.db2.gz LQSLRWSEKJLBIP-UHFFFAOYSA-N 2 2 343.390 3.456 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169702 164355488 /nfs/dbraw/zinc/35/54/88/164355488.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169702 164355490 /nfs/dbraw/zinc/35/54/90/164355490.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169702 164355491 /nfs/dbraw/zinc/35/54/91/164355491.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169702 164355493 /nfs/dbraw/zinc/35/54/93/164355493.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 3 2 342.512 3.383 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000346231752 164361012 /nfs/dbraw/zinc/36/10/12/164361012.db2.gz YHNQQHNPTSBDTJ-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000346231752 164361014 /nfs/dbraw/zinc/36/10/14/164361014.db2.gz YHNQQHNPTSBDTJ-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346278003 164364325 /nfs/dbraw/zinc/36/43/25/164364325.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 2 2 326.488 3.349 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346278003 164364326 /nfs/dbraw/zinc/36/43/26/164364326.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000346278003 164364327 /nfs/dbraw/zinc/36/43/27/164364327.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000346278003 164364328 /nfs/dbraw/zinc/36/43/28/164364328.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 2 2 326.488 3.349 10 0 EGAELP CCN(C(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000360697263 167390933 /nfs/dbraw/zinc/39/09/33/167390933.db2.gz HGEXPZKHXRCMKW-HNNXBMFYSA-N 2 2 332.492 3.159 10 0 EGAELP CCN(C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000360697263 167390936 /nfs/dbraw/zinc/39/09/36/167390936.db2.gz HGEXPZKHXRCMKW-HNNXBMFYSA-N 2 2 332.492 3.159 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000360719916 167396715 /nfs/dbraw/zinc/39/67/15/167396715.db2.gz MWUKFVSNPIVIOX-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000122831004 222167596 /nfs/dbraw/zinc/16/75/96/222167596.db2.gz PXCLTJGQVFEPJP-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000122831004 222167599 /nfs/dbraw/zinc/16/75/99/222167599.db2.gz PXCLTJGQVFEPJP-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)o1 ZINC000122945392 222188316 /nfs/dbraw/zinc/18/83/16/222188316.db2.gz VWTMDSSYFHNHAL-CQSZACIVSA-N 2 2 331.416 3.052 10 0 EGAELP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)o1 ZINC000122945392 222188318 /nfs/dbraw/zinc/18/83/18/222188318.db2.gz VWTMDSSYFHNHAL-CQSZACIVSA-N 2 2 331.416 3.052 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@@H+]1C ZINC000123780435 222331293 /nfs/dbraw/zinc/33/12/93/222331293.db2.gz GJVDYUAFDIMKJK-XLIONFOSSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@H+]1C ZINC000123780435 222331296 /nfs/dbraw/zinc/33/12/96/222331296.db2.gz GJVDYUAFDIMKJK-XLIONFOSSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780435 222331298 /nfs/dbraw/zinc/33/12/98/222331298.db2.gz GJVDYUAFDIMKJK-XLIONFOSSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780435 222331302 /nfs/dbraw/zinc/33/13/02/222331302.db2.gz GJVDYUAFDIMKJK-XLIONFOSSA-N 2 2 343.515 3.227 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719937 265132760 /nfs/dbraw/zinc/13/27/60/265132760.db2.gz CIXMGQZWIATCRR-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719937 265132765 /nfs/dbraw/zinc/13/27/65/265132765.db2.gz CIXMGQZWIATCRR-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719937 265132767 /nfs/dbraw/zinc/13/27/67/265132767.db2.gz CIXMGQZWIATCRR-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719937 265132770 /nfs/dbraw/zinc/13/27/70/265132770.db2.gz CIXMGQZWIATCRR-APWZRJJASA-N 2 2 331.504 3.411 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC000195277359 266170581 /nfs/dbraw/zinc/17/05/81/266170581.db2.gz UDNQWWGWPPAJAJ-KRWDZBQOSA-N 2 2 336.439 3.177 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC000195277359 266170586 /nfs/dbraw/zinc/17/05/86/266170586.db2.gz UDNQWWGWPPAJAJ-KRWDZBQOSA-N 2 2 336.439 3.177 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000195277359 266170589 /nfs/dbraw/zinc/17/05/89/266170589.db2.gz UDNQWWGWPPAJAJ-KRWDZBQOSA-N 2 2 336.439 3.177 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000195277359 266170593 /nfs/dbraw/zinc/17/05/93/266170593.db2.gz UDNQWWGWPPAJAJ-KRWDZBQOSA-N 2 2 336.439 3.177 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000289410368 276334782 /nfs/dbraw/zinc/33/47/82/276334782.db2.gz PGSDMMKRQUYGQR-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000289410368 276334784 /nfs/dbraw/zinc/33/47/84/276334784.db2.gz PGSDMMKRQUYGQR-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](=O)C(C)(C)C ZINC000371211969 288217712 /nfs/dbraw/zinc/21/77/12/288217712.db2.gz FSROEQJFPBAQQQ-JTUHZDRVSA-N 2 2 336.545 3.034 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](=O)C(C)(C)C ZINC000371211969 288217716 /nfs/dbraw/zinc/21/77/16/288217716.db2.gz FSROEQJFPBAQQQ-JTUHZDRVSA-N 2 2 336.545 3.034 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)c1 ZINC000414121439 309062137 /nfs/dbraw/zinc/06/21/37/309062137.db2.gz GXYFAKCULXLGBI-QGZVFWFLSA-N 2 2 348.288 3.336 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000293498492 308136426 /nfs/dbraw/zinc/13/64/26/308136426.db2.gz HCQKDJNBIPSJAJ-KXBFYZLASA-N 2 2 338.467 3.061 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000293498492 308136428 /nfs/dbraw/zinc/13/64/28/308136428.db2.gz HCQKDJNBIPSJAJ-KXBFYZLASA-N 2 2 338.467 3.061 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000294619885 308238794 /nfs/dbraw/zinc/23/87/94/308238794.db2.gz OQBMXNABNGWPGW-QRWLVFNGSA-N 2 2 339.414 3.266 10 0 EGAELP CC(C)(C)[NH2+]CC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000414754657 309098945 /nfs/dbraw/zinc/09/89/45/309098945.db2.gz YCSXHTNQDDNPMW-QGZVFWFLSA-N 2 2 349.906 3.476 10 0 EGAELP Cc1cccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301694879 308711248 /nfs/dbraw/zinc/71/12/48/308711248.db2.gz MIMIYDDBKQXJTF-UHFFFAOYSA-N 2 2 331.847 3.244 10 0 EGAELP CCOCc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC ZINC000352855451 308886000 /nfs/dbraw/zinc/88/60/00/308886000.db2.gz XXWWXPUCHRRLCX-UHFFFAOYSA-N 2 2 329.444 3.334 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414942164 309110426 /nfs/dbraw/zinc/11/04/26/309110426.db2.gz ZKYQWFBIZJMQFU-ZWNOBZJWSA-N 2 2 329.307 3.259 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000415063225 309117763 /nfs/dbraw/zinc/11/77/63/309117763.db2.gz HFRIFJWIWYXFIX-KXBFYZLASA-N 2 2 342.483 3.487 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1Br ZINC000415070959 309118369 /nfs/dbraw/zinc/11/83/69/309118369.db2.gz RVCMBKUWTBNSIN-NSHDSACASA-N 2 2 349.219 3.282 10 0 EGAELP Cc1cn2cc(NC(=O)N(CCC[NH3+])Cc3ccccc3)ccc2[nH+]1 ZINC000415128111 309122430 /nfs/dbraw/zinc/12/24/30/309122430.db2.gz NWEWJQIGVDJGPF-UHFFFAOYSA-N 2 2 337.427 3.026 10 0 EGAELP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415180104 309125048 /nfs/dbraw/zinc/12/50/48/309125048.db2.gz FETXFZMAOSHNPB-AUUYWEPGSA-N 2 2 340.427 3.323 10 0 EGAELP CC[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422715280 309364514 /nfs/dbraw/zinc/36/45/14/309364514.db2.gz RYDFKUQIQAYBKC-UXHICEINSA-N 2 2 332.488 3.002 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000422751299 309366520 /nfs/dbraw/zinc/36/65/20/309366520.db2.gz BFZGHCQNHIKACG-DDTOSNHZSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2cccc(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422780534 309367863 /nfs/dbraw/zinc/36/78/63/309367863.db2.gz HQZFKDDCTMZHKD-WOJBJXKFSA-N 2 2 328.431 3.460 10 0 EGAELP COc1ccc([C@H](NCc2[nH+]ccn2CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780613 309367865 /nfs/dbraw/zinc/36/78/65/309367865.db2.gz JMKNBRHMYOJSKN-ICSRJNTNSA-N 2 2 342.487 3.131 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422964570 309378684 /nfs/dbraw/zinc/37/86/84/309378684.db2.gz IVGQWDAHKMQWMV-GMVOTWDCSA-N 2 2 343.471 3.486 10 0 EGAELP Fc1ccc(C2=CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423036651 309382237 /nfs/dbraw/zinc/38/22/37/309382237.db2.gz AVFSNIQMOQSOFS-SLFFLAALSA-N 2 2 330.447 3.118 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@H]2CCCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423042251 309382656 /nfs/dbraw/zinc/38/26/56/309382656.db2.gz YVFYXSMAAXPZSR-AABGKKOBSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423071979 309384477 /nfs/dbraw/zinc/38/44/77/309384477.db2.gz IKCWTVNSORXBDS-ACRUOGEOSA-N 2 2 346.515 3.409 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2scnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423155567 309388732 /nfs/dbraw/zinc/38/87/32/309388732.db2.gz QTPVMAOFVQNABB-AEFFLSMTSA-N 2 2 331.485 3.086 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc2c(s1)CCC2 ZINC000423230550 309391360 /nfs/dbraw/zinc/39/13/60/309391360.db2.gz JJYJXDIOSMRHCN-CYBMUJFWSA-N 2 2 328.485 3.215 10 0 EGAELP Fc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCS2 ZINC000423231453 309391665 /nfs/dbraw/zinc/39/16/65/309391665.db2.gz LCEDJAMOYLIMRG-MRXNPFEDSA-N 2 2 344.459 3.279 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000423237490 309391852 /nfs/dbraw/zinc/39/18/52/309391852.db2.gz UCCXQJGUINBEQL-ZDUSSCGKSA-N 2 2 348.397 3.266 10 0 EGAELP COCC[NH2+]CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423339221 309395984 /nfs/dbraw/zinc/39/59/84/309395984.db2.gz SDYYSHOXZFYFCO-NSHDSACASA-N 2 2 341.249 3.082 10 0 EGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427895741 309537795 /nfs/dbraw/zinc/53/77/95/309537795.db2.gz UHONKCDTXUXIJV-HIFRSBDPSA-N 2 2 335.398 3.410 10 0 EGAELP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445817412 309948246 /nfs/dbraw/zinc/94/82/46/309948246.db2.gz FSNGTAYDASRGDR-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561312 310130259 /nfs/dbraw/zinc/13/02/59/310130259.db2.gz HCICJNDNRWZBEG-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561312 310130260 /nfs/dbraw/zinc/13/02/60/310130260.db2.gz HCICJNDNRWZBEG-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561312 310130261 /nfs/dbraw/zinc/13/02/61/310130261.db2.gz HCICJNDNRWZBEG-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561312 310130262 /nfs/dbraw/zinc/13/02/62/310130262.db2.gz HCICJNDNRWZBEG-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)CCOCC1 ZINC000453093084 310257439 /nfs/dbraw/zinc/25/74/39/310257439.db2.gz SMYDWZVMWWRPAE-ZWKOTPCHSA-N 2 2 326.525 3.061 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000453197966 310263525 /nfs/dbraw/zinc/26/35/25/310263525.db2.gz NVUJHSUVGVFNSZ-UHFFFAOYSA-N 2 2 347.551 3.383 10 0 EGAELP COC1([C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000453243227 310266260 /nfs/dbraw/zinc/26/62/60/310266260.db2.gz YSIHJQTWMYBUJI-CQSZACIVSA-N 2 2 349.862 3.199 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255245 310266955 /nfs/dbraw/zinc/26/69/55/310266955.db2.gz FJHLIUWUNAHKJE-RTWAWAEBSA-N 2 2 342.458 3.352 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255245 310266956 /nfs/dbraw/zinc/26/69/56/310266956.db2.gz FJHLIUWUNAHKJE-RTWAWAEBSA-N 2 2 342.458 3.352 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263476 310267767 /nfs/dbraw/zinc/26/77/67/310267767.db2.gz LTHDKECOQHBKQW-RDJZCZTQSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263476 310267768 /nfs/dbraw/zinc/26/77/68/310267768.db2.gz LTHDKECOQHBKQW-RDJZCZTQSA-N 2 2 342.430 3.176 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277829 310268836 /nfs/dbraw/zinc/26/88/36/310268836.db2.gz YLWICTXURIZNDC-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277829 310268837 /nfs/dbraw/zinc/26/88/37/310268837.db2.gz YLWICTXURIZNDC-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000494918865 311522741 /nfs/dbraw/zinc/52/27/41/311522741.db2.gz CIQITIXENREQBH-MOPGFXCFSA-N 2 2 343.515 3.106 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359559 /nfs/dbraw/zinc/35/95/59/312359559.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359562 /nfs/dbraw/zinc/35/95/62/312359562.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359563 /nfs/dbraw/zinc/35/95/63/312359563.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359565 /nfs/dbraw/zinc/35/95/65/312359565.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000528116141 313018891 /nfs/dbraw/zinc/01/88/91/313018891.db2.gz VBVYGZBHWTWOSY-GOSISDBHSA-N 2 2 337.471 3.088 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000528116141 313018894 /nfs/dbraw/zinc/01/88/94/313018894.db2.gz VBVYGZBHWTWOSY-GOSISDBHSA-N 2 2 337.471 3.088 10 0 EGAELP OCc1ccc(F)c(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000528515160 313109922 /nfs/dbraw/zinc/10/99/22/313109922.db2.gz AWANMDJDRWSWLR-UHFFFAOYSA-N 2 2 328.431 3.072 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)cc1OC ZINC000529552855 313353467 /nfs/dbraw/zinc/35/34/67/313353467.db2.gz AOTHXQNNUMYMIX-MRXNPFEDSA-N 2 2 346.402 3.281 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)cc1OC ZINC000529552855 313353470 /nfs/dbraw/zinc/35/34/70/313353470.db2.gz AOTHXQNNUMYMIX-MRXNPFEDSA-N 2 2 346.402 3.281 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569949 313359025 /nfs/dbraw/zinc/35/90/25/313359025.db2.gz SBWRSDOASYPIFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569949 313359021 /nfs/dbraw/zinc/35/90/21/313359021.db2.gz SBWRSDOASYPIFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP Cc1nn2c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c(C(C)C)nc2s1 ZINC000538726449 314270296 /nfs/dbraw/zinc/27/02/96/314270296.db2.gz SLEDWAISZKHUGM-UHFFFAOYSA-N 2 2 344.488 3.325 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083044 314295543 /nfs/dbraw/zinc/29/55/43/314295543.db2.gz FVMKLVDQEAECCV-BLLLJJGKSA-N 2 2 346.862 3.005 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083044 314295545 /nfs/dbraw/zinc/29/55/45/314295545.db2.gz FVMKLVDQEAECCV-BLLLJJGKSA-N 2 2 346.862 3.005 10 0 EGAELP CC[C@@](C)([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1nccs1 ZINC000541395020 314457350 /nfs/dbraw/zinc/45/73/50/314457350.db2.gz WRFSBETZUBAIIH-QGZVFWFLSA-N 2 2 327.457 3.447 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[NH+](CC)CC)cc1 ZINC000551229639 315146391 /nfs/dbraw/zinc/14/63/91/315146391.db2.gz WXAWQAOOUIMIGK-OALUTQOASA-N 2 2 345.531 3.279 10 0 EGAELP CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551719271 315165320 /nfs/dbraw/zinc/16/53/20/315165320.db2.gz UIPNZBDXOXGQAZ-SFHVURJKSA-N 2 2 340.471 3.061 10 0 EGAELP CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551719271 315165324 /nfs/dbraw/zinc/16/53/24/315165324.db2.gz UIPNZBDXOXGQAZ-SFHVURJKSA-N 2 2 340.471 3.061 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000555586177 315392398 /nfs/dbraw/zinc/39/23/98/315392398.db2.gz HSWFVYUHESSCPX-STQMWFEESA-N 2 2 346.272 3.177 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000555586177 315392400 /nfs/dbraw/zinc/39/24/00/315392400.db2.gz HSWFVYUHESSCPX-STQMWFEESA-N 2 2 346.272 3.177 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ncccc2F)CC1 ZINC000562517834 315843772 /nfs/dbraw/zinc/84/37/72/315843772.db2.gz JELOWDNMNXEEKN-INIZCTEOSA-N 2 2 327.447 3.406 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000563777513 316067425 /nfs/dbraw/zinc/06/74/25/316067425.db2.gz VFMXABTWVJKNNX-SWLSCSKDSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000563777513 316067427 /nfs/dbraw/zinc/06/74/27/316067427.db2.gz VFMXABTWVJKNNX-SWLSCSKDSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000563777513 316067431 /nfs/dbraw/zinc/06/74/31/316067431.db2.gz VFMXABTWVJKNNX-SWLSCSKDSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563777513 316067432 /nfs/dbraw/zinc/06/74/32/316067432.db2.gz VFMXABTWVJKNNX-SWLSCSKDSA-N 2 2 341.293 3.230 10 0 EGAELP Cc1nc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000563899194 316088554 /nfs/dbraw/zinc/08/85/54/316088554.db2.gz QXDZRSBMAFEILU-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP Cc1nc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000563899194 316088558 /nfs/dbraw/zinc/08/85/58/316088558.db2.gz QXDZRSBMAFEILU-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000563899194 316088562 /nfs/dbraw/zinc/08/85/62/316088562.db2.gz QXDZRSBMAFEILU-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000563899194 316088565 /nfs/dbraw/zinc/08/85/65/316088565.db2.gz QXDZRSBMAFEILU-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000564823737 316212663 /nfs/dbraw/zinc/21/26/63/316212663.db2.gz AKXJFYCVEZGAAI-KUHUBIRLSA-N 2 2 341.430 3.166 10 0 EGAELP Cc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000564973450 316240481 /nfs/dbraw/zinc/24/04/81/316240481.db2.gz CLSWNTAYVDKOJP-AWEZNQCLSA-N 2 2 329.307 3.395 10 0 EGAELP Cc1cc(Br)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000564973450 316240484 /nfs/dbraw/zinc/24/04/84/316240484.db2.gz CLSWNTAYVDKOJP-AWEZNQCLSA-N 2 2 329.307 3.395 10 0 EGAELP CN1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565103413 316266015 /nfs/dbraw/zinc/26/60/15/316266015.db2.gz FAKAECRFRXKMOQ-MSOLQXFVSA-N 2 2 339.886 3.300 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000565468217 316327916 /nfs/dbraw/zinc/32/79/16/316327916.db2.gz FWARIBOZNPKCQL-IKGGRYGDSA-N 2 2 327.476 3.229 10 0 EGAELP C[NH+](C)CCC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000570296096 317036409 /nfs/dbraw/zinc/03/64/09/317036409.db2.gz AHTRDQJYONIBAK-UHFFFAOYSA-N 2 2 341.503 3.444 10 0 EGAELP C[NH+](C)CCC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000570296096 317036410 /nfs/dbraw/zinc/03/64/10/317036410.db2.gz AHTRDQJYONIBAK-UHFFFAOYSA-N 2 2 341.503 3.444 10 0 EGAELP Clc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000570721155 317098403 /nfs/dbraw/zinc/09/84/03/317098403.db2.gz TVWXUPLILQRGBK-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000570721155 317098406 /nfs/dbraw/zinc/09/84/06/317098406.db2.gz TVWXUPLILQRGBK-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cn2ccccc2n1 ZINC000572616901 317365979 /nfs/dbraw/zinc/36/59/79/317365979.db2.gz JGPXTORCPDTLOY-INIZCTEOSA-N 2 2 335.455 3.045 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640794 323244567 /nfs/dbraw/zinc/24/45/67/323244567.db2.gz RUUIWTQPHUNSSN-MRXNPFEDSA-N 2 2 348.450 3.488 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640794 323244571 /nfs/dbraw/zinc/24/45/71/323244571.db2.gz RUUIWTQPHUNSSN-MRXNPFEDSA-N 2 2 348.450 3.488 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000340393055 456434532 /nfs/dbraw/zinc/43/45/32/456434532.db2.gz DNYOWXYBJWLSSU-PSASIEDQSA-N 2 2 338.274 3.368 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000340393055 456434541 /nfs/dbraw/zinc/43/45/41/456434541.db2.gz DNYOWXYBJWLSSU-PSASIEDQSA-N 2 2 338.274 3.368 10 0 EGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000576221434 324570643 /nfs/dbraw/zinc/57/06/43/324570643.db2.gz JDCWLDHNHBBWGP-FBBABVLZSA-N 2 2 342.483 3.016 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)[nH+]1 ZINC000578662485 325001305 /nfs/dbraw/zinc/00/13/05/325001305.db2.gz DFEJYORJDYJYGF-LJQANCHMSA-N 2 2 341.455 3.347 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000578828388 325023477 /nfs/dbraw/zinc/02/34/77/325023477.db2.gz SSAWENBPLVVPQU-KRWDZBQOSA-N 2 2 326.444 3.290 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000578828388 325023481 /nfs/dbraw/zinc/02/34/81/325023481.db2.gz SSAWENBPLVVPQU-KRWDZBQOSA-N 2 2 326.444 3.290 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000579809210 325161861 /nfs/dbraw/zinc/16/18/61/325161861.db2.gz DVUQPUUXVRRJLE-LALPHHSUSA-N 2 2 343.393 3.010 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580892264 325306501 /nfs/dbraw/zinc/30/65/01/325306501.db2.gz BUGHSMZHSXZFOW-FQEVSTJZSA-N 2 2 329.488 3.132 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580892264 325306502 /nfs/dbraw/zinc/30/65/02/325306502.db2.gz BUGHSMZHSXZFOW-FQEVSTJZSA-N 2 2 329.488 3.132 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000581297959 325350191 /nfs/dbraw/zinc/35/01/91/325350191.db2.gz ILMDGSMRGMWVDW-IYBDPMFKSA-N 2 2 338.411 3.232 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000581493841 325366156 /nfs/dbraw/zinc/36/61/56/325366156.db2.gz LCEWGZHYGQHMMJ-UHFFFAOYSA-N 2 2 347.286 3.073 10 0 EGAELP Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180656694 455219318 /nfs/dbraw/zinc/21/93/18/455219318.db2.gz ZWTPUGMZDGLMLX-INIZCTEOSA-N 2 2 334.423 3.470 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673726 455224752 /nfs/dbraw/zinc/22/47/52/455224752.db2.gz UEBGKVUNPFZNDF-CABCVRRESA-N 2 2 328.460 3.216 10 0 EGAELP CC(C)Oc1cc(Cl)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000623470803 460567897 /nfs/dbraw/zinc/56/78/97/460567897.db2.gz CIDBHEFIRTWJGD-MRXNPFEDSA-N 2 2 349.302 3.183 10 0 EGAELP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181479575 455340813 /nfs/dbraw/zinc/34/08/13/455340813.db2.gz LETQGQMQXKGYCB-OTWHNJEPSA-N 2 2 325.456 3.225 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515583 460591611 /nfs/dbraw/zinc/59/16/11/460591611.db2.gz HHKLGJIBLPNAIN-RBUKOAKNSA-N 2 2 339.483 3.052 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515583 460591617 /nfs/dbraw/zinc/59/16/17/460591617.db2.gz HHKLGJIBLPNAIN-RBUKOAKNSA-N 2 2 339.483 3.052 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515582 460591880 /nfs/dbraw/zinc/59/18/80/460591880.db2.gz HHKLGJIBLPNAIN-OALUTQOASA-N 2 2 339.483 3.052 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515582 460591886 /nfs/dbraw/zinc/59/18/86/460591886.db2.gz HHKLGJIBLPNAIN-OALUTQOASA-N 2 2 339.483 3.052 10 0 EGAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000067227060 453912587 /nfs/dbraw/zinc/91/25/87/453912587.db2.gz POFASMIJSGIJBW-UHFFFAOYSA-N 2 2 343.515 3.133 10 0 EGAELP CC[NH+](CC)C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000076000992 453947890 /nfs/dbraw/zinc/94/78/90/453947890.db2.gz HPGKFMFEHBDKGS-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@H](C)C1 ZINC000078332902 454233802 /nfs/dbraw/zinc/23/38/02/454233802.db2.gz QKOJXKCAJBRMBB-RHSMWYFYSA-N 2 2 325.460 3.014 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@H](C)C1 ZINC000078332902 454233806 /nfs/dbraw/zinc/23/38/06/454233806.db2.gz QKOJXKCAJBRMBB-RHSMWYFYSA-N 2 2 325.460 3.014 10 0 EGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095969198 454243582 /nfs/dbraw/zinc/24/35/82/454243582.db2.gz ZBBHCZBIKAMLKC-PBHICJAKSA-N 2 2 336.443 3.212 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000092066887 454512833 /nfs/dbraw/zinc/51/28/33/454512833.db2.gz OFUPTOZWVRLHRY-WBVHZDCISA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000092066887 454512838 /nfs/dbraw/zinc/51/28/38/454512838.db2.gz OFUPTOZWVRLHRY-WBVHZDCISA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(C)nc2s1 ZINC000092066887 454512843 /nfs/dbraw/zinc/51/28/43/454512843.db2.gz OFUPTOZWVRLHRY-WBVHZDCISA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(C)nc2s1 ZINC000092066887 454512846 /nfs/dbraw/zinc/51/28/46/454512846.db2.gz OFUPTOZWVRLHRY-WBVHZDCISA-N 2 2 344.528 3.461 10 0 EGAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229757 454545060 /nfs/dbraw/zinc/54/50/60/454545060.db2.gz OEWFJYKEBFDQGK-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229757 454545066 /nfs/dbraw/zinc/54/50/66/454545066.db2.gz OEWFJYKEBFDQGK-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000246236484 455454803 /nfs/dbraw/zinc/45/48/03/455454803.db2.gz HFLMHBFJWBTDRK-CZUORRHYSA-N 2 2 329.835 3.267 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000246236484 455454807 /nfs/dbraw/zinc/45/48/07/455454807.db2.gz HFLMHBFJWBTDRK-CZUORRHYSA-N 2 2 329.835 3.267 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c(C)nc2s1 ZINC000092812834 454638776 /nfs/dbraw/zinc/63/87/76/454638776.db2.gz OTZFZQHZNUQSQE-HNNXBMFYSA-N 2 2 341.484 3.342 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c(C)nc2s1 ZINC000092812834 454638780 /nfs/dbraw/zinc/63/87/80/454638780.db2.gz OTZFZQHZNUQSQE-HNNXBMFYSA-N 2 2 341.484 3.342 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000105876758 454661334 /nfs/dbraw/zinc/66/13/34/454661334.db2.gz GZPVREZOHHIZNE-UHFFFAOYSA-N 2 2 335.455 3.061 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)c2ccccc2)C1 ZINC000106215631 454685609 /nfs/dbraw/zinc/68/56/09/454685609.db2.gz PMDIMIWZNCCKQR-SFHVURJKSA-N 2 2 340.471 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CC)c2ccccc2)C1 ZINC000106215631 454685612 /nfs/dbraw/zinc/68/56/12/454685612.db2.gz PMDIMIWZNCCKQR-SFHVURJKSA-N 2 2 340.471 3.136 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000136304168 454734968 /nfs/dbraw/zinc/73/49/68/454734968.db2.gz YMHVUFDXPCLLIH-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000136304168 454734971 /nfs/dbraw/zinc/73/49/71/454734971.db2.gz YMHVUFDXPCLLIH-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP Cc1nn(C)cc1C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000162409447 454773193 /nfs/dbraw/zinc/77/31/93/454773193.db2.gz DZWNQAQYQSBOHB-FQEVSTJZSA-N 2 2 340.515 3.291 10 0 EGAELP Cc1nn(C)cc1C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000162409447 454773198 /nfs/dbraw/zinc/77/31/98/454773198.db2.gz DZWNQAQYQSBOHB-FQEVSTJZSA-N 2 2 340.515 3.291 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000177059945 454817026 /nfs/dbraw/zinc/81/70/26/454817026.db2.gz DBFHRLFFMSUURH-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000177059945 454817029 /nfs/dbraw/zinc/81/70/29/454817029.db2.gz DBFHRLFFMSUURH-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000177059945 454817032 /nfs/dbraw/zinc/81/70/32/454817032.db2.gz DBFHRLFFMSUURH-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000177059945 454817037 /nfs/dbraw/zinc/81/70/37/454817037.db2.gz DBFHRLFFMSUURH-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289113 454847109 /nfs/dbraw/zinc/84/71/09/454847109.db2.gz HGXGRUGMBCQBTL-ZWKOTPCHSA-N 2 2 340.471 3.437 10 0 EGAELP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289113 454847112 /nfs/dbraw/zinc/84/71/12/454847112.db2.gz HGXGRUGMBCQBTL-ZWKOTPCHSA-N 2 2 340.471 3.437 10 0 EGAELP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000150891161 454908503 /nfs/dbraw/zinc/90/85/03/454908503.db2.gz UAAZHKDTKDPNMP-SFHVURJKSA-N 2 2 337.471 3.302 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355081 455495808 /nfs/dbraw/zinc/49/58/08/455495808.db2.gz WUKJVSDTSAQWGM-RTBURBONSA-N 2 2 327.472 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355081 455495811 /nfs/dbraw/zinc/49/58/11/455495811.db2.gz WUKJVSDTSAQWGM-RTBURBONSA-N 2 2 327.472 3.076 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000128884192 455089812 /nfs/dbraw/zinc/08/98/12/455089812.db2.gz YWUYNLYKKSNPKP-NRFANRHFSA-N 2 2 337.511 3.418 10 0 EGAELP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C(C)(C)C)n1 ZINC000179987452 455111314 /nfs/dbraw/zinc/11/13/14/455111314.db2.gz SJWCLNNLRJMBMA-OAHLLOKOSA-N 2 2 327.476 3.047 10 0 EGAELP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C(C)(C)C)n1 ZINC000179987452 455111317 /nfs/dbraw/zinc/11/13/17/455111317.db2.gz SJWCLNNLRJMBMA-OAHLLOKOSA-N 2 2 327.476 3.047 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129556284 455116593 /nfs/dbraw/zinc/11/65/93/455116593.db2.gz CSIHYAZNYSNNSM-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129556284 455116596 /nfs/dbraw/zinc/11/65/96/455116596.db2.gz CSIHYAZNYSNNSM-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157040099 455162179 /nfs/dbraw/zinc/16/21/79/455162179.db2.gz VEADDVYTQXEGII-MJGOQNOKSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157040099 455162181 /nfs/dbraw/zinc/16/21/81/455162181.db2.gz VEADDVYTQXEGII-MJGOQNOKSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040099 455162183 /nfs/dbraw/zinc/16/21/83/455162183.db2.gz VEADDVYTQXEGII-MJGOQNOKSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040099 455162184 /nfs/dbraw/zinc/16/21/84/455162184.db2.gz VEADDVYTQXEGII-MJGOQNOKSA-N 2 2 345.531 3.276 10 0 EGAELP c1c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015046 455183196 /nfs/dbraw/zinc/18/31/96/455183196.db2.gz GZVDCZPUDGKJBI-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015046 455183200 /nfs/dbraw/zinc/18/32/00/455183200.db2.gz GZVDCZPUDGKJBI-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181105642 455288156 /nfs/dbraw/zinc/28/81/56/455288156.db2.gz XQMQWUZYIVRPSI-GOSISDBHSA-N 2 2 342.487 3.031 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181105642 455288158 /nfs/dbraw/zinc/28/81/58/455288158.db2.gz XQMQWUZYIVRPSI-GOSISDBHSA-N 2 2 342.487 3.031 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000190445759 455318500 /nfs/dbraw/zinc/31/85/00/455318500.db2.gz CVBGBMVGQYTECO-OAHLLOKOSA-N 2 2 345.516 3.323 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000190445759 455318505 /nfs/dbraw/zinc/31/85/05/455318505.db2.gz CVBGBMVGQYTECO-OAHLLOKOSA-N 2 2 345.516 3.323 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077880 455422259 /nfs/dbraw/zinc/42/22/59/455422259.db2.gz ZCKFOROGVMKYIP-SJORKVTESA-N 2 2 348.454 3.157 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077880 455422263 /nfs/dbraw/zinc/42/22/63/455422263.db2.gz ZCKFOROGVMKYIP-SJORKVTESA-N 2 2 348.454 3.157 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000175202528 455426456 /nfs/dbraw/zinc/42/64/56/455426456.db2.gz MFPVWHDYNJSBSQ-HIFRSBDPSA-N 2 2 334.489 3.447 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000175202528 455426462 /nfs/dbraw/zinc/42/64/62/455426462.db2.gz MFPVWHDYNJSBSQ-HIFRSBDPSA-N 2 2 334.489 3.447 10 0 EGAELP Fc1cccc(C2([NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)c1 ZINC000182218821 455463565 /nfs/dbraw/zinc/46/35/65/455463565.db2.gz JMPACSRZSADWKP-UHFFFAOYSA-N 2 2 325.431 3.464 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427560 455488769 /nfs/dbraw/zinc/48/87/69/455488769.db2.gz CIXMGQZWIATCRR-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427560 455488773 /nfs/dbraw/zinc/48/87/73/455488773.db2.gz CIXMGQZWIATCRR-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427560 455488778 /nfs/dbraw/zinc/48/87/78/455488778.db2.gz CIXMGQZWIATCRR-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427560 455488785 /nfs/dbraw/zinc/48/87/85/455488785.db2.gz CIXMGQZWIATCRR-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP COCc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000267227287 455519242 /nfs/dbraw/zinc/51/92/42/455519242.db2.gz FBHLZQNOZQZQDS-QAPCUYQASA-N 2 2 345.512 3.290 10 0 EGAELP COCc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000267227287 455519245 /nfs/dbraw/zinc/51/92/45/455519245.db2.gz FBHLZQNOZQZQDS-QAPCUYQASA-N 2 2 345.512 3.290 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000247465040 455605646 /nfs/dbraw/zinc/60/56/46/455605646.db2.gz RFCJSBYXMKRQMM-DLBZAZTESA-N 2 2 338.879 3.082 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000247465040 455605650 /nfs/dbraw/zinc/60/56/50/455605650.db2.gz RFCJSBYXMKRQMM-DLBZAZTESA-N 2 2 338.879 3.082 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000247881365 455652138 /nfs/dbraw/zinc/65/21/38/455652138.db2.gz BVDHWVLNGUWNBH-NSISKUIASA-N 2 2 337.467 3.405 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000247881365 455652143 /nfs/dbraw/zinc/65/21/43/455652143.db2.gz BVDHWVLNGUWNBH-NSISKUIASA-N 2 2 337.467 3.405 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248184123 455695158 /nfs/dbraw/zinc/69/51/58/455695158.db2.gz WYZNBEWGOXNMKH-KBPBESRZSA-N 2 2 347.488 3.213 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248184123 455695164 /nfs/dbraw/zinc/69/51/64/455695164.db2.gz WYZNBEWGOXNMKH-KBPBESRZSA-N 2 2 347.488 3.213 10 0 EGAELP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250225914 455786405 /nfs/dbraw/zinc/78/64/05/455786405.db2.gz WSDMQSUOTXNGNL-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250225914 455786401 /nfs/dbraw/zinc/78/64/01/455786401.db2.gz WSDMQSUOTXNGNL-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Cc1cn2cc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000606569773 460698824 /nfs/dbraw/zinc/69/88/24/460698824.db2.gz WCXODRVTHUUAHT-UHFFFAOYSA-N 2 2 329.448 3.029 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606580928 460699883 /nfs/dbraw/zinc/69/98/83/460699883.db2.gz KCANTIXYINHQPF-QGZVFWFLSA-N 2 2 349.438 3.120 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606580928 460699900 /nfs/dbraw/zinc/69/99/00/460699900.db2.gz KCANTIXYINHQPF-QGZVFWFLSA-N 2 2 349.438 3.120 10 0 EGAELP COC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272745275 456058916 /nfs/dbraw/zinc/05/89/16/456058916.db2.gz BQBGBIMABFDDRP-INIZCTEOSA-N 2 2 330.394 3.381 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000271217828 456178563 /nfs/dbraw/zinc/17/85/63/456178563.db2.gz BVXFPJIQHXPVDQ-GDBMZVCRSA-N 2 2 344.846 3.436 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000271217828 456178566 /nfs/dbraw/zinc/17/85/66/456178566.db2.gz BVXFPJIQHXPVDQ-GDBMZVCRSA-N 2 2 344.846 3.436 10 0 EGAELP Cn1c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc21 ZINC000282043137 456398189 /nfs/dbraw/zinc/39/81/89/456398189.db2.gz LOOTZYVWSAUOBP-MRXNPFEDSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc21 ZINC000282043137 456398196 /nfs/dbraw/zinc/39/81/96/456398196.db2.gz LOOTZYVWSAUOBP-MRXNPFEDSA-N 2 2 349.482 3.486 10 0 EGAELP FC(F)(F)Cn1ccnc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000353062279 456467567 /nfs/dbraw/zinc/46/75/67/456467567.db2.gz ANJZXCWQEWCORK-UHFFFAOYSA-N 2 2 344.425 3.332 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054238 456512089 /nfs/dbraw/zinc/51/20/89/456512089.db2.gz CJVXXKGRESCLRC-VBNZEHGJSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054238 456512094 /nfs/dbraw/zinc/51/20/94/456512094.db2.gz CJVXXKGRESCLRC-VBNZEHGJSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054238 456512098 /nfs/dbraw/zinc/51/20/98/456512098.db2.gz CJVXXKGRESCLRC-VBNZEHGJSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054238 456512102 /nfs/dbraw/zinc/51/21/02/456512102.db2.gz CJVXXKGRESCLRC-VBNZEHGJSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797415 462272036 /nfs/dbraw/zinc/27/20/36/462272036.db2.gz MQKCELRJCHIDFW-HKUYNNGSSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797415 462272042 /nfs/dbraw/zinc/27/20/42/462272042.db2.gz MQKCELRJCHIDFW-HKUYNNGSSA-N 2 2 343.515 3.237 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000340586337 456548700 /nfs/dbraw/zinc/54/87/00/456548700.db2.gz SDBNLJHFYXZYIZ-GJZGRUSLSA-N 2 2 327.819 3.469 10 0 EGAELP C[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000340586337 456548706 /nfs/dbraw/zinc/54/87/06/456548706.db2.gz SDBNLJHFYXZYIZ-GJZGRUSLSA-N 2 2 327.819 3.469 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000340601374 456562830 /nfs/dbraw/zinc/56/28/30/456562830.db2.gz SZHNYAMRRSWWGS-UHFFFAOYSA-N 2 2 325.456 3.499 10 0 EGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353217105 456566789 /nfs/dbraw/zinc/56/67/89/456566789.db2.gz HLLYEYQPHIONEP-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353217105 456566793 /nfs/dbraw/zinc/56/67/93/456566793.db2.gz HLLYEYQPHIONEP-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353221117 456570829 /nfs/dbraw/zinc/57/08/29/456570829.db2.gz AVQFUHRGHUUMMS-QMMMGPOBSA-N 2 2 342.187 3.098 10 0 EGAELP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353221117 456570832 /nfs/dbraw/zinc/57/08/32/456570832.db2.gz AVQFUHRGHUUMMS-QMMMGPOBSA-N 2 2 342.187 3.098 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000353227200 456572874 /nfs/dbraw/zinc/57/28/74/456572874.db2.gz AXQBUQHERPKOPP-CEWLAPEOSA-N 2 2 343.515 3.231 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113020 456644539 /nfs/dbraw/zinc/64/45/39/456644539.db2.gz PFVSOFPEFMCRIJ-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113020 456644548 /nfs/dbraw/zinc/64/45/48/456644548.db2.gz PFVSOFPEFMCRIJ-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107533 456644882 /nfs/dbraw/zinc/64/48/82/456644882.db2.gz NSVQTMVDCMDWPR-GDBMZVCRSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107533 456644887 /nfs/dbraw/zinc/64/48/87/456644887.db2.gz NSVQTMVDCMDWPR-GDBMZVCRSA-N 2 2 335.879 3.051 10 0 EGAELP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617024 456671320 /nfs/dbraw/zinc/67/13/20/456671320.db2.gz MQMRACDKEDRLLJ-NVXWUHKLSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617024 456671328 /nfs/dbraw/zinc/67/13/28/456671328.db2.gz MQMRACDKEDRLLJ-NVXWUHKLSA-N 2 2 329.419 3.445 10 0 EGAELP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328656437 456728566 /nfs/dbraw/zinc/72/85/66/456728566.db2.gz ZIEFRIXZYGSNPJ-ACRUOGEOSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328656437 456728569 /nfs/dbraw/zinc/72/85/69/456728569.db2.gz ZIEFRIXZYGSNPJ-ACRUOGEOSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328656437 456728575 /nfs/dbraw/zinc/72/85/75/456728575.db2.gz ZIEFRIXZYGSNPJ-ACRUOGEOSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328656437 456728580 /nfs/dbraw/zinc/72/85/80/456728580.db2.gz ZIEFRIXZYGSNPJ-ACRUOGEOSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328656444 456729732 /nfs/dbraw/zinc/72/97/32/456729732.db2.gz ZIEFRIXZYGSNPJ-HBMCJLEFSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000328656444 456729742 /nfs/dbraw/zinc/72/97/42/456729742.db2.gz ZIEFRIXZYGSNPJ-HBMCJLEFSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328656444 456729746 /nfs/dbraw/zinc/72/97/46/456729746.db2.gz ZIEFRIXZYGSNPJ-HBMCJLEFSA-N 2 2 339.483 3.048 10 0 EGAELP Cc1ccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328656444 456729753 /nfs/dbraw/zinc/72/97/53/456729753.db2.gz ZIEFRIXZYGSNPJ-HBMCJLEFSA-N 2 2 339.483 3.048 10 0 EGAELP COC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611960 456803020 /nfs/dbraw/zinc/80/30/20/456803020.db2.gz PTRQWPZVPZYOJC-CJNGLKHVSA-N 2 2 339.361 3.263 10 0 EGAELP COC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611960 456803027 /nfs/dbraw/zinc/80/30/27/456803027.db2.gz PTRQWPZVPZYOJC-CJNGLKHVSA-N 2 2 339.361 3.263 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000301256363 456835632 /nfs/dbraw/zinc/83/56/32/456835632.db2.gz TXMONXZZGUGWEM-OAHLLOKOSA-N 2 2 339.439 3.086 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000301256363 456835639 /nfs/dbraw/zinc/83/56/39/456835639.db2.gz TXMONXZZGUGWEM-OAHLLOKOSA-N 2 2 339.439 3.086 10 0 EGAELP CCC[N@H+](C)[C@H](C[NH2+][C@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660102 456837898 /nfs/dbraw/zinc/83/78/98/456837898.db2.gz LIMAISLKRYXVLO-QZTJIDSGSA-N 2 2 349.910 3.383 10 0 EGAELP CCC[N@@H+](C)[C@H](C[NH2+][C@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660102 456837904 /nfs/dbraw/zinc/83/79/04/456837904.db2.gz LIMAISLKRYXVLO-QZTJIDSGSA-N 2 2 349.910 3.383 10 0 EGAELP Fc1cccc2c1C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000338965065 456879676 /nfs/dbraw/zinc/87/96/76/456879676.db2.gz OXXIKLLQJBJQIE-UHFFFAOYSA-N 2 2 329.400 3.468 10 0 EGAELP Fc1cccc2c1C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000338965065 456879679 /nfs/dbraw/zinc/87/96/79/456879679.db2.gz OXXIKLLQJBJQIE-UHFFFAOYSA-N 2 2 329.400 3.468 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341695660 456903671 /nfs/dbraw/zinc/90/36/71/456903671.db2.gz BTHFBTKINDOICA-RDJZCZTQSA-N 2 2 338.879 3.254 10 0 EGAELP C[NH+](C)[C@]1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCSC1 ZINC000339068007 456925664 /nfs/dbraw/zinc/92/56/64/456925664.db2.gz OZUAXRNTLAQKGB-UHOSZYNNSA-N 2 2 334.529 3.181 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980483 456987768 /nfs/dbraw/zinc/98/77/68/456987768.db2.gz AYRJJAIRYAJDRB-HIFRSBDPSA-N 2 2 327.394 3.224 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980483 456987771 /nfs/dbraw/zinc/98/77/71/456987771.db2.gz AYRJJAIRYAJDRB-HIFRSBDPSA-N 2 2 327.394 3.224 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000359314222 457073793 /nfs/dbraw/zinc/07/37/93/457073793.db2.gz QYAOBSWLWCNKNW-KNPMLCFXSA-N 2 2 341.293 3.065 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000359314222 457073800 /nfs/dbraw/zinc/07/38/00/457073800.db2.gz QYAOBSWLWCNKNW-KNPMLCFXSA-N 2 2 341.293 3.065 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433738 457116863 /nfs/dbraw/zinc/11/68/63/457116863.db2.gz YTYNRZZXQUFLDK-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433738 457116867 /nfs/dbraw/zinc/11/68/67/457116867.db2.gz YTYNRZZXQUFLDK-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433738 457116869 /nfs/dbraw/zinc/11/68/69/457116869.db2.gz YTYNRZZXQUFLDK-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433738 457116874 /nfs/dbraw/zinc/11/68/74/457116874.db2.gz YTYNRZZXQUFLDK-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP CCC[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000360017980 457206990 /nfs/dbraw/zinc/20/69/90/457206990.db2.gz FUMWGPHHTACWEX-SFHVURJKSA-N 2 2 340.471 3.247 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342313353 457232572 /nfs/dbraw/zinc/23/25/72/457232572.db2.gz YOHXQAACWFFSGX-UHFFFAOYSA-N 2 2 334.261 3.321 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342313353 457232576 /nfs/dbraw/zinc/23/25/76/457232576.db2.gz YOHXQAACWFFSGX-UHFFFAOYSA-N 2 2 334.261 3.321 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000379895256 457418213 /nfs/dbraw/zinc/41/82/13/457418213.db2.gz GBKRHNZMZBRIEN-PKOBYXMFSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000379895256 457418224 /nfs/dbraw/zinc/41/82/24/457418224.db2.gz GBKRHNZMZBRIEN-PKOBYXMFSA-N 2 2 326.488 3.464 10 0 EGAELP O=[S@@](CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798251 457419341 /nfs/dbraw/zinc/41/93/41/457419341.db2.gz OWFFDYAQQCFPDH-DVECYGJZSA-N 2 2 348.556 3.382 10 0 EGAELP O=[S@@](CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798251 457419348 /nfs/dbraw/zinc/41/93/48/457419348.db2.gz OWFFDYAQQCFPDH-DVECYGJZSA-N 2 2 348.556 3.382 10 0 EGAELP CC1CCC(OC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)CC1 ZINC000425340777 457506760 /nfs/dbraw/zinc/50/67/60/457506760.db2.gz WHAVCALXESTKTQ-UHFFFAOYSA-N 2 2 334.508 3.046 10 0 EGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000374219206 457527778 /nfs/dbraw/zinc/52/77/78/457527778.db2.gz QLBLGHQIIXIMNA-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(SC)s2)CC1 ZINC000356322807 457572807 /nfs/dbraw/zinc/57/28/07/457572807.db2.gz RYABPJUWDZNCTD-UHFFFAOYSA-N 2 2 335.498 3.196 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000352740187 457572948 /nfs/dbraw/zinc/57/29/48/457572948.db2.gz VDZWDIMJEIEKGI-MAUKXSAKSA-N 2 2 331.485 3.072 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057675 457655757 /nfs/dbraw/zinc/65/57/57/457655757.db2.gz HZLTWOYFTBGXQZ-HKUYNNGSSA-N 2 2 328.500 3.354 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057675 457655764 /nfs/dbraw/zinc/65/57/64/457655764.db2.gz HZLTWOYFTBGXQZ-HKUYNNGSSA-N 2 2 328.500 3.354 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CCn1cccn1 ZINC000361291249 457680374 /nfs/dbraw/zinc/68/03/74/457680374.db2.gz WMRPWAWBXLDHPH-UHFFFAOYSA-N 2 2 325.460 3.344 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CCn1cccn1 ZINC000361291249 457680375 /nfs/dbraw/zinc/68/03/75/457680375.db2.gz WMRPWAWBXLDHPH-UHFFFAOYSA-N 2 2 325.460 3.344 10 0 EGAELP COC(=O)[C@H](C)C[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290510 457680549 /nfs/dbraw/zinc/68/05/49/457680549.db2.gz SUNJFNOQEFJZPB-OAHLLOKOSA-N 2 2 331.460 3.256 10 0 EGAELP COC(=O)[C@H](C)C[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290510 457680552 /nfs/dbraw/zinc/68/05/52/457680552.db2.gz SUNJFNOQEFJZPB-OAHLLOKOSA-N 2 2 331.460 3.256 10 0 EGAELP COC(=O)[C@]1(C)CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361309642 457688273 /nfs/dbraw/zinc/68/82/73/457688273.db2.gz PTFGMUPKOFEHMH-HXUWFJFHSA-N 2 2 343.471 3.400 10 0 EGAELP COC(=O)[C@]1(C)CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361309642 457688274 /nfs/dbraw/zinc/68/82/74/457688274.db2.gz PTFGMUPKOFEHMH-HXUWFJFHSA-N 2 2 343.471 3.400 10 0 EGAELP COC(=O)C(C)(C)[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361317034 457690279 /nfs/dbraw/zinc/69/02/79/457690279.db2.gz XIHPLWTYASFUPJ-UHFFFAOYSA-N 2 2 331.460 3.398 10 0 EGAELP COC(=O)C(C)(C)[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361317034 457690282 /nfs/dbraw/zinc/69/02/82/457690282.db2.gz XIHPLWTYASFUPJ-UHFFFAOYSA-N 2 2 331.460 3.398 10 0 EGAELP COCCO[C@@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361376743 457711309 /nfs/dbraw/zinc/71/13/09/457711309.db2.gz MOKAELUJCKAEEW-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP COCCO[C@@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361376743 457711311 /nfs/dbraw/zinc/71/13/11/457711311.db2.gz MOKAELUJCKAEEW-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000361464201 457740169 /nfs/dbraw/zinc/74/01/69/457740169.db2.gz PPPVRRDVKMQKNI-YLJYHZDGSA-N 2 2 331.504 3.088 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000361464201 457740172 /nfs/dbraw/zinc/74/01/72/457740172.db2.gz PPPVRRDVKMQKNI-YLJYHZDGSA-N 2 2 331.504 3.088 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000361531989 457775293 /nfs/dbraw/zinc/77/52/93/457775293.db2.gz UYPNQFLYSFWNJA-UHFFFAOYSA-N 2 2 333.382 3.350 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000358245601 457884604 /nfs/dbraw/zinc/88/46/04/457884604.db2.gz XRDYPHVSEGLILJ-MRXNPFEDSA-N 2 2 342.487 3.273 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000358245601 457884609 /nfs/dbraw/zinc/88/46/09/457884609.db2.gz XRDYPHVSEGLILJ-MRXNPFEDSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1-c1ccccc1 ZINC000375405058 457916664 /nfs/dbraw/zinc/91/66/64/457916664.db2.gz PILCWMZPNKAEEO-MRXNPFEDSA-N 2 2 349.438 3.431 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1-c1ccccc1 ZINC000375405058 457916672 /nfs/dbraw/zinc/91/66/72/457916672.db2.gz PILCWMZPNKAEEO-MRXNPFEDSA-N 2 2 349.438 3.431 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000361868669 457917838 /nfs/dbraw/zinc/91/78/38/457917838.db2.gz OHCBZSIWHBCBRL-RTBURBONSA-N 2 2 327.472 3.410 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000361868669 457917846 /nfs/dbraw/zinc/91/78/46/457917846.db2.gz OHCBZSIWHBCBRL-RTBURBONSA-N 2 2 327.472 3.410 10 0 EGAELP CCCn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000435055643 458087322 /nfs/dbraw/zinc/08/73/22/458087322.db2.gz CMKPOFFUFYQIAF-UHFFFAOYSA-N 2 2 327.476 3.206 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000447357580 458288437 /nfs/dbraw/zinc/28/84/37/458288437.db2.gz IVDIFLZAWVUZCC-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000447357580 458288445 /nfs/dbraw/zinc/28/84/45/458288445.db2.gz IVDIFLZAWVUZCC-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372394166 458299792 /nfs/dbraw/zinc/29/97/92/458299792.db2.gz KQKMZOJJXWJJFQ-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372394166 458299794 /nfs/dbraw/zinc/29/97/94/458299794.db2.gz KQKMZOJJXWJJFQ-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438727 458370991 /nfs/dbraw/zinc/37/09/91/458370991.db2.gz JMALLBLCZWGZBI-FDFHNCONSA-N 2 2 335.495 3.296 10 0 EGAELP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438727 458370996 /nfs/dbraw/zinc/37/09/96/458370996.db2.gz JMALLBLCZWGZBI-FDFHNCONSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438727 458370998 /nfs/dbraw/zinc/37/09/98/458370998.db2.gz JMALLBLCZWGZBI-FDFHNCONSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438727 458371000 /nfs/dbraw/zinc/37/10/00/458371000.db2.gz JMALLBLCZWGZBI-FDFHNCONSA-N 2 2 335.495 3.296 10 0 EGAELP [NH3+]C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512104 458447658 /nfs/dbraw/zinc/44/76/58/458447658.db2.gz UODMSAMUIJMLPS-BURNTYAHSA-N 3 2 327.516 3.289 10 0 EGAELP [NH3+]C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512104 458447660 /nfs/dbraw/zinc/44/76/60/458447660.db2.gz UODMSAMUIJMLPS-BURNTYAHSA-N 3 2 327.516 3.289 10 0 EGAELP CCC[C@@](C)(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373536565 458523663 /nfs/dbraw/zinc/52/36/63/458523663.db2.gz OJXURLBJGRTVMO-LJQANCHMSA-N 2 2 337.552 3.269 10 0 EGAELP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377798149 458532862 /nfs/dbraw/zinc/53/28/62/458532862.db2.gz FAMQEXRKQRNSCR-CMPLNLGQSA-N 2 2 337.370 3.228 10 0 EGAELP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377798149 458532868 /nfs/dbraw/zinc/53/28/68/458532868.db2.gz FAMQEXRKQRNSCR-CMPLNLGQSA-N 2 2 337.370 3.228 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)C[C@H]2C1 ZINC000424304946 458610900 /nfs/dbraw/zinc/61/09/00/458610900.db2.gz RHEGAKCMDILTOL-FAZLWPCISA-N 2 2 343.515 3.400 10 0 EGAELP Cc1cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(C)c1O ZINC000470140790 458615657 /nfs/dbraw/zinc/61/56/57/458615657.db2.gz LUGTVRUKDFDCSH-UHFFFAOYSA-N 2 2 325.456 3.205 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1cccc2ccccc21 ZINC000378059627 458615890 /nfs/dbraw/zinc/61/58/90/458615890.db2.gz NGWFCLIWSGBCQE-UHFFFAOYSA-N 2 2 334.423 3.381 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@H]3c3ccsc3)c2cc1C ZINC000530245065 458728961 /nfs/dbraw/zinc/72/89/61/458728961.db2.gz SVFIZTWEPCTWQC-IXDOHACOSA-N 2 2 341.480 3.221 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000432840084 458798102 /nfs/dbraw/zinc/79/81/02/458798102.db2.gz PTXHKGGUFLAUAV-ZDUSSCGKSA-N 2 2 338.459 3.447 10 0 EGAELP CC(C)C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258879 458873016 /nfs/dbraw/zinc/87/30/16/458873016.db2.gz MGSCXSBKMHFCNS-FPOVZHCZSA-N 2 2 330.516 3.470 10 0 EGAELP CC(C)C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258879 458873023 /nfs/dbraw/zinc/87/30/23/458873023.db2.gz MGSCXSBKMHFCNS-FPOVZHCZSA-N 2 2 330.516 3.470 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441370130 458929285 /nfs/dbraw/zinc/92/92/85/458929285.db2.gz GLYWHOCIODIHPD-SCTDSRPQSA-N 2 2 342.487 3.134 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000577152975 458987389 /nfs/dbraw/zinc/98/73/89/458987389.db2.gz TZIWPQSQZOCWBC-JXFKEZNVSA-N 2 2 341.499 3.290 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000577152975 458987391 /nfs/dbraw/zinc/98/73/91/458987391.db2.gz TZIWPQSQZOCWBC-JXFKEZNVSA-N 2 2 341.499 3.290 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000594748495 459150886 /nfs/dbraw/zinc/15/08/86/459150886.db2.gz TZZMZWAELZMJLE-CQSZACIVSA-N 2 2 334.489 3.193 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000594748495 459150891 /nfs/dbraw/zinc/15/08/91/459150891.db2.gz TZZMZWAELZMJLE-CQSZACIVSA-N 2 2 334.489 3.193 10 0 EGAELP C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000578446028 459203399 /nfs/dbraw/zinc/20/33/99/459203399.db2.gz CSJCVTJDHRYDED-GFCCVEGCSA-N 2 2 347.488 3.086 10 0 EGAELP C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000578446028 459203405 /nfs/dbraw/zinc/20/34/05/459203405.db2.gz CSJCVTJDHRYDED-GFCCVEGCSA-N 2 2 347.488 3.086 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559751865 459275227 /nfs/dbraw/zinc/27/52/27/459275227.db2.gz CWSDWXHOPMUIDL-HKUYNNGSSA-N 2 2 336.907 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559751865 459275234 /nfs/dbraw/zinc/27/52/34/459275234.db2.gz CWSDWXHOPMUIDL-HKUYNNGSSA-N 2 2 336.907 3.362 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591081365 459308476 /nfs/dbraw/zinc/30/84/76/459308476.db2.gz AENVWUUKLKBIIY-IAGOWNOFSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591081365 459308480 /nfs/dbraw/zinc/30/84/80/459308480.db2.gz AENVWUUKLKBIIY-IAGOWNOFSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(C2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)c[nH+]1 ZINC000541201986 459433861 /nfs/dbraw/zinc/43/38/61/459433861.db2.gz XRAMEDUNITWFNT-UHFFFAOYSA-N 2 2 340.349 3.257 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904513 459449087 /nfs/dbraw/zinc/44/90/87/459449087.db2.gz WQHNUWRVVNFOLK-HXUWFJFHSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904513 459449091 /nfs/dbraw/zinc/44/90/91/459449091.db2.gz WQHNUWRVVNFOLK-HXUWFJFHSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904513 459449093 /nfs/dbraw/zinc/44/90/93/459449093.db2.gz WQHNUWRVVNFOLK-HXUWFJFHSA-N 2 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904513 459449096 /nfs/dbraw/zinc/44/90/96/459449096.db2.gz WQHNUWRVVNFOLK-HXUWFJFHSA-N 2 2 339.527 3.400 10 0 EGAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000525992026 459526683 /nfs/dbraw/zinc/52/66/83/459526683.db2.gz YMMAGCPHWQRASA-BZSNNMDCSA-N 2 2 346.519 3.106 10 0 EGAELP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000572842620 459584324 /nfs/dbraw/zinc/58/43/24/459584324.db2.gz NZOKPNNWDLZYMF-KXBFYZLASA-N 2 2 326.444 3.182 10 0 EGAELP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000572842620 459584326 /nfs/dbraw/zinc/58/43/26/459584326.db2.gz NZOKPNNWDLZYMF-KXBFYZLASA-N 2 2 326.444 3.182 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)[C@@H]1SC ZINC000592375453 459584419 /nfs/dbraw/zinc/58/44/19/459584419.db2.gz IFUHNKKRJGEBHQ-KURKYZTESA-N 2 2 331.485 3.179 10 0 EGAELP COCc1cc(NC2CC([NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000573174820 459636308 /nfs/dbraw/zinc/63/63/08/459636308.db2.gz LGUDXGXGDCEAKV-UHFFFAOYSA-N 2 2 343.446 3.371 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)nc1C ZINC000543542188 459667013 /nfs/dbraw/zinc/66/70/13/459667013.db2.gz IMHVEQNZMCKJFF-ZIAGYGMSSA-N 2 2 339.505 3.153 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)nc1C ZINC000543542188 459667020 /nfs/dbraw/zinc/66/70/20/459667020.db2.gz IMHVEQNZMCKJFF-ZIAGYGMSSA-N 2 2 339.505 3.153 10 0 EGAELP COc1ccc([C@@H](C[NH2+]Cc2ccnc(C)c2)[NH+]2CCCC2)cc1 ZINC000527630582 459677738 /nfs/dbraw/zinc/67/77/38/459677738.db2.gz ASFNUBJBYJKLKY-HXUWFJFHSA-N 2 2 325.456 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951042 459781243 /nfs/dbraw/zinc/78/12/43/459781243.db2.gz QCMOYPAFIHYTBD-OXQOHEQNSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951042 459781248 /nfs/dbraw/zinc/78/12/48/459781248.db2.gz QCMOYPAFIHYTBD-OXQOHEQNSA-N 2 2 343.515 3.446 10 0 EGAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528001551 459792276 /nfs/dbraw/zinc/79/22/76/459792276.db2.gz HBNWYFANHBVZRD-WIYYLYMNSA-N 2 2 349.478 3.068 10 0 EGAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528001551 459792279 /nfs/dbraw/zinc/79/22/79/459792279.db2.gz HBNWYFANHBVZRD-WIYYLYMNSA-N 2 2 349.478 3.068 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008573 459795273 /nfs/dbraw/zinc/79/52/73/459795273.db2.gz FRIVNNYVRFMIHO-KBXCAEBGSA-N 2 2 327.472 3.239 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008573 459795278 /nfs/dbraw/zinc/79/52/78/459795278.db2.gz FRIVNNYVRFMIHO-KBXCAEBGSA-N 2 2 327.472 3.239 10 0 EGAELP CC1=CCN(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000545159534 459804822 /nfs/dbraw/zinc/80/48/22/459804822.db2.gz OYRKGJWVUHTQDJ-UHFFFAOYSA-N 2 2 345.506 3.074 10 0 EGAELP Fc1cccc(-n2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000608756932 459877343 /nfs/dbraw/zinc/87/73/43/459877343.db2.gz KIEUBAGECGOMCN-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2o1 ZINC000610213024 460083861 /nfs/dbraw/zinc/08/38/61/460083861.db2.gz AOAMFMUVZIREFM-INIZCTEOSA-N 2 2 339.395 3.253 10 0 EGAELP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2o1 ZINC000610213024 460083867 /nfs/dbraw/zinc/08/38/67/460083867.db2.gz AOAMFMUVZIREFM-INIZCTEOSA-N 2 2 339.395 3.253 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCC[C@@H]21 ZINC000599654137 460300127 /nfs/dbraw/zinc/30/01/27/460300127.db2.gz LWEWAAZNJDPIIB-QRVBRYPASA-N 2 2 339.439 3.036 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC3CC[NH+](C4CC4)CC3)n1)C2 ZINC000623829595 460734330 /nfs/dbraw/zinc/73/43/30/460734330.db2.gz NMFLXLGMSNJOKP-UHFFFAOYSA-N 2 2 335.455 3.036 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000629391193 460746860 /nfs/dbraw/zinc/74/68/60/460746860.db2.gz YSFRJBHNSKVGDN-VQTJNVASSA-N 2 2 326.488 3.087 10 0 EGAELP CC(C)[N@H+](C)CC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623878017 460757174 /nfs/dbraw/zinc/75/71/74/460757174.db2.gz VCRDTOADYBVMLU-UHFFFAOYSA-N 2 2 337.471 3.439 10 0 EGAELP CC(C)[N@@H+](C)CC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623878017 460757179 /nfs/dbraw/zinc/75/71/79/460757179.db2.gz VCRDTOADYBVMLU-UHFFFAOYSA-N 2 2 337.471 3.439 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000629526361 460796425 /nfs/dbraw/zinc/79/64/25/460796425.db2.gz RHWWTSCKNQSLQI-FHLIZLRMSA-N 2 2 332.492 3.351 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539741 460800921 /nfs/dbraw/zinc/80/09/21/460800921.db2.gz UALSLKDPPJCNDH-XUJVJEKNSA-N 2 2 343.393 3.153 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629538487 460801086 /nfs/dbraw/zinc/80/10/86/460801086.db2.gz MIHUEGWZPCQLIL-RVKKMQEKSA-N 2 2 332.492 3.351 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C[NH2+]1 ZINC000629538406 460801578 /nfs/dbraw/zinc/80/15/78/460801578.db2.gz MAIOJZSZDGRRQL-VPJDZLOFSA-N 2 2 327.241 3.306 10 0 EGAELP CN(C(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000629601175 460824144 /nfs/dbraw/zinc/82/41/44/460824144.db2.gz APDUCMWNRJVTPI-IBGZPJMESA-N 2 2 329.488 3.036 10 0 EGAELP CN(C(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000629601175 460824150 /nfs/dbraw/zinc/82/41/50/460824150.db2.gz APDUCMWNRJVTPI-IBGZPJMESA-N 2 2 329.488 3.036 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077626 460848550 /nfs/dbraw/zinc/84/85/50/460848550.db2.gz WCNGKPKPGDUXDB-PXNSSMCTSA-N 2 2 343.515 3.425 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077626 460848554 /nfs/dbraw/zinc/84/85/54/460848554.db2.gz WCNGKPKPGDUXDB-PXNSSMCTSA-N 2 2 343.515 3.425 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656455 460850570 /nfs/dbraw/zinc/85/05/70/460850570.db2.gz OVPOFCKRTIJHIQ-WCQYABFASA-N 2 2 335.439 3.301 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656455 460850574 /nfs/dbraw/zinc/85/05/74/460850574.db2.gz OVPOFCKRTIJHIQ-WCQYABFASA-N 2 2 335.439 3.301 10 0 EGAELP CCN(C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000617555157 460905608 /nfs/dbraw/zinc/90/56/08/460905608.db2.gz QPNHXKPEQFKOBQ-KRWDZBQOSA-N 2 2 339.439 3.349 10 0 EGAELP CCN(C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000617555157 460905615 /nfs/dbraw/zinc/90/56/15/460905615.db2.gz QPNHXKPEQFKOBQ-KRWDZBQOSA-N 2 2 339.439 3.349 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1Br ZINC000628183447 461035142 /nfs/dbraw/zinc/03/51/42/461035142.db2.gz BVWDQFRBATZTNV-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ncc1Br ZINC000628183447 461035148 /nfs/dbraw/zinc/03/51/48/461035148.db2.gz BVWDQFRBATZTNV-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ncc1Br ZINC000628183447 461035154 /nfs/dbraw/zinc/03/51/54/461035154.db2.gz BVWDQFRBATZTNV-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ncc1Br ZINC000628183447 461035157 /nfs/dbraw/zinc/03/51/57/461035157.db2.gz BVWDQFRBATZTNV-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2[nH+]1 ZINC000668153999 461140311 /nfs/dbraw/zinc/14/03/11/461140311.db2.gz BMPNPLXELXBTSO-GJZGRUSLSA-N 2 2 329.448 3.027 10 0 EGAELP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319769 461189308 /nfs/dbraw/zinc/18/93/08/461189308.db2.gz LYRLZUHWRFWRDC-WMZOPIPTSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319769 461189310 /nfs/dbraw/zinc/18/93/10/461189310.db2.gz LYRLZUHWRFWRDC-WMZOPIPTSA-N 2 2 343.471 3.445 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)c[nH+]1 ZINC000649582753 461194117 /nfs/dbraw/zinc/19/41/17/461194117.db2.gz RCIWIEHSJDTTNA-UHFFFAOYSA-N 2 2 327.476 3.108 10 0 EGAELP [NH3+]CC1(CCNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000652578636 461275155 /nfs/dbraw/zinc/27/51/55/461275155.db2.gz VNQIBAYUIVCXBY-UHFFFAOYSA-N 2 2 326.400 3.124 10 0 EGAELP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc(Cl)c1O ZINC000668432393 461279680 /nfs/dbraw/zinc/27/96/80/461279680.db2.gz QZTOPOMSMGAEDM-CYBMUJFWSA-N 2 2 326.868 3.407 10 0 EGAELP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc(Cl)c1O ZINC000668432393 461279688 /nfs/dbraw/zinc/27/96/88/461279688.db2.gz QZTOPOMSMGAEDM-CYBMUJFWSA-N 2 2 326.868 3.407 10 0 EGAELP C[N@@H+](Cc1cccc(Br)c1OC(F)F)CC1C[NH+](C)C1 ZINC000668539617 461321266 /nfs/dbraw/zinc/32/12/66/461321266.db2.gz FJGBDHCTQPEBMP-UHFFFAOYSA-N 2 2 349.219 3.044 10 0 EGAELP C[N@H+](Cc1cccc(Br)c1OC(F)F)CC1C[NH+](C)C1 ZINC000668539617 461321267 /nfs/dbraw/zinc/32/12/67/461321267.db2.gz FJGBDHCTQPEBMP-UHFFFAOYSA-N 2 2 349.219 3.044 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000655743312 461409761 /nfs/dbraw/zinc/40/97/61/461409761.db2.gz FWXTYHVTAJBYQW-PKOBYXMFSA-N 2 2 338.499 3.362 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000655743312 461409767 /nfs/dbraw/zinc/40/97/67/461409767.db2.gz FWXTYHVTAJBYQW-PKOBYXMFSA-N 2 2 338.499 3.362 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631036229 461488667 /nfs/dbraw/zinc/48/86/67/461488667.db2.gz XJMQZZKOLBNRQC-UHFFFAOYSA-N 2 2 346.700 3.462 10 0 EGAELP CC[N@H+](CCO[C@H]1CC1(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973845 461524648 /nfs/dbraw/zinc/52/46/48/461524648.db2.gz VODAQSDVIKNHRC-INIZCTEOSA-N 2 2 339.430 3.044 10 0 EGAELP CC[N@@H+](CCO[C@H]1CC1(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973845 461524653 /nfs/dbraw/zinc/52/46/53/461524653.db2.gz VODAQSDVIKNHRC-INIZCTEOSA-N 2 2 339.430 3.044 10 0 EGAELP C[NH+](C)[C@@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CCSC1 ZINC000631084264 461534905 /nfs/dbraw/zinc/53/49/05/461534905.db2.gz VJSADKAOUIEOMB-OAHLLOKOSA-N 2 2 332.435 3.318 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(O)c2Cl)[C@H](c2ccccc2)C1 ZINC000647249154 461588079 /nfs/dbraw/zinc/58/80/79/461588079.db2.gz FPEHCVDDFFZRSS-SJORKVTESA-N 2 2 330.859 3.481 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(O)c2Cl)[C@H](c2ccccc2)C1 ZINC000647249154 461588089 /nfs/dbraw/zinc/58/80/89/461588089.db2.gz FPEHCVDDFFZRSS-SJORKVTESA-N 2 2 330.859 3.481 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000656127900 461610189 /nfs/dbraw/zinc/61/01/89/461610189.db2.gz ANLVJFPDTMGIKQ-DZGCQCFKSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000656127900 461610198 /nfs/dbraw/zinc/61/01/98/461610198.db2.gz ANLVJFPDTMGIKQ-DZGCQCFKSA-N 2 2 332.473 3.350 10 0 EGAELP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000647305328 461625077 /nfs/dbraw/zinc/62/50/77/461625077.db2.gz FZTNNOKZHNMMIH-LPHOPBHVSA-N 2 2 334.529 3.222 10 0 EGAELP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000647305328 461625083 /nfs/dbraw/zinc/62/50/83/461625083.db2.gz FZTNNOKZHNMMIH-LPHOPBHVSA-N 2 2 334.529 3.222 10 0 EGAELP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000647305330 461626008 /nfs/dbraw/zinc/62/60/08/461626008.db2.gz FZTNNOKZHNMMIH-VQIMIIECSA-N 2 2 334.529 3.222 10 0 EGAELP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000647305330 461626014 /nfs/dbraw/zinc/62/60/14/461626014.db2.gz FZTNNOKZHNMMIH-VQIMIIECSA-N 2 2 334.529 3.222 10 0 EGAELP CCN(c1ccccc1)c1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]cn1 ZINC000656211848 461650996 /nfs/dbraw/zinc/65/09/96/461650996.db2.gz NTNHFLBXMUMOIN-WOVMCDHWSA-N 2 2 325.460 3.387 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631253187 461676423 /nfs/dbraw/zinc/67/64/23/461676423.db2.gz FEJYUKLRXUSUNU-HOTGVXAUSA-N 2 2 334.426 3.341 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480479 461728013 /nfs/dbraw/zinc/72/80/13/461728013.db2.gz OWSNTNSFAIJLCM-SUMWQHHRSA-N 2 2 346.425 3.319 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480479 461728020 /nfs/dbraw/zinc/72/80/20/461728020.db2.gz OWSNTNSFAIJLCM-SUMWQHHRSA-N 2 2 346.425 3.319 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480702 461728069 /nfs/dbraw/zinc/72/80/69/461728069.db2.gz XRXWTINEZDPMHE-LSDHHAIUSA-N 2 2 347.532 3.187 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480702 461728080 /nfs/dbraw/zinc/72/80/80/461728080.db2.gz XRXWTINEZDPMHE-LSDHHAIUSA-N 2 2 347.532 3.187 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663658559 461738945 /nfs/dbraw/zinc/73/89/45/461738945.db2.gz MWXMRUPGTZOVBD-ZWNOBZJWSA-N 2 2 341.297 3.022 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663658559 461738951 /nfs/dbraw/zinc/73/89/51/461738951.db2.gz MWXMRUPGTZOVBD-ZWNOBZJWSA-N 2 2 341.297 3.022 10 0 EGAELP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553490 461764746 /nfs/dbraw/zinc/76/47/46/461764746.db2.gz BFUSQJMYNOWNEL-OAHLLOKOSA-N 2 2 328.378 3.392 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553610 461764825 /nfs/dbraw/zinc/76/48/25/461764825.db2.gz DZOPGOBEJJCRBA-SFHVURJKSA-N 2 2 328.435 3.084 10 0 EGAELP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653690449 461810098 /nfs/dbraw/zinc/81/00/98/461810098.db2.gz YLGXLJGYJCOZPL-OAHLLOKOSA-N 2 2 338.442 3.083 10 0 EGAELP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653690449 461810104 /nfs/dbraw/zinc/81/01/04/461810104.db2.gz YLGXLJGYJCOZPL-OAHLLOKOSA-N 2 2 338.442 3.083 10 0 EGAELP OC[C@]1([NH2+][C@H]2CC[C@H]2C2CCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000669848528 461814269 /nfs/dbraw/zinc/81/42/69/461814269.db2.gz CCGDQKDNYNNWBE-ACRUOGEOSA-N 2 2 328.500 3.182 10 0 EGAELP OC[C@]1([NH2+][C@H]2CC[C@H]2C2CCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669848528 461814276 /nfs/dbraw/zinc/81/42/76/461814276.db2.gz CCGDQKDNYNNWBE-ACRUOGEOSA-N 2 2 328.500 3.182 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899432 461874073 /nfs/dbraw/zinc/87/40/73/461874073.db2.gz KHNGOFJNDBMAOL-HRCADAONSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899432 461874083 /nfs/dbraw/zinc/87/40/83/461874083.db2.gz KHNGOFJNDBMAOL-HRCADAONSA-N 2 2 347.528 3.200 10 0 EGAELP CCN(CC)c1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000656789188 461899119 /nfs/dbraw/zinc/89/91/19/461899119.db2.gz PUTZKFHDWMWBIC-QZTJIDSGSA-N 2 2 344.528 3.225 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(OC)c2)cc1 ZINC000656790401 461899898 /nfs/dbraw/zinc/89/98/98/461899898.db2.gz QAAWPZYTFZKYSL-SFTDATJTSA-N 2 2 340.467 3.329 10 0 EGAELP c1cn(Cc2ccccc2)c(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)[nH+]1 ZINC000656792731 461903673 /nfs/dbraw/zinc/90/36/73/461903673.db2.gz NFAJXXJMHRKIHN-HXUWFJFHSA-N 2 2 348.450 3.204 10 0 EGAELP CC1CC[NH+]([C@H](C[NH2+]Cc2cnn3c2CCC3)c2cccs2)CC1 ZINC000657291574 462021007 /nfs/dbraw/zinc/02/10/07/462021007.db2.gz XSFZJBUTXUUJPS-GOSISDBHSA-N 2 2 344.528 3.454 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000657296385 462025728 /nfs/dbraw/zinc/02/57/28/462025728.db2.gz GXLCSHNKRXIMFX-UHFFFAOYSA-N 2 2 344.890 3.237 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657368477 462076519 /nfs/dbraw/zinc/07/65/19/462076519.db2.gz WJZVNGGHCKUNBD-INIZCTEOSA-N 2 2 339.487 3.318 10 0 EGAELP CC(C)c1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000664656034 462141255 /nfs/dbraw/zinc/14/12/55/462141255.db2.gz CNUYGLHNTORPCA-INIZCTEOSA-N 2 2 334.508 3.270 10 0 EGAELP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000648562710 462175655 /nfs/dbraw/zinc/17/56/55/462175655.db2.gz FRFAWDKOWJGHEH-SLTXQBBLSA-N 2 2 334.426 3.339 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667618240 462176699 /nfs/dbraw/zinc/17/66/99/462176699.db2.gz QRYDAVWILPOVDE-FXAWDEMLSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667618240 462176701 /nfs/dbraw/zinc/17/67/01/462176701.db2.gz QRYDAVWILPOVDE-FXAWDEMLSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618240 462176703 /nfs/dbraw/zinc/17/67/03/462176703.db2.gz QRYDAVWILPOVDE-FXAWDEMLSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618240 462176704 /nfs/dbraw/zinc/17/67/04/462176704.db2.gz QRYDAVWILPOVDE-FXAWDEMLSA-N 2 2 338.499 3.314 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@H]3CCN3Cc3ccccc3)c2)c[nH+]1 ZINC000657805580 462275866 /nfs/dbraw/zinc/27/58/66/462275866.db2.gz DGCHJTINPQVEHL-QGZVFWFLSA-N 2 2 338.480 3.298 10 0 EGAELP C[C@H](O)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000657817495 462280617 /nfs/dbraw/zinc/28/06/17/462280617.db2.gz LYVPNPSPZWIVDS-BBRMVZONSA-N 2 2 330.394 3.115 10 0 EGAELP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000657817507 462280951 /nfs/dbraw/zinc/28/09/51/462280951.db2.gz LYVPNPSPZWIVDS-CZUORRHYSA-N 2 2 330.394 3.115 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000657833732 462288729 /nfs/dbraw/zinc/28/87/29/462288729.db2.gz OPLGYWJEPMRDAY-WOJBJXKFSA-N 2 2 340.552 3.308 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000657858579 462299587 /nfs/dbraw/zinc/29/95/87/462299587.db2.gz IVFVERBVBHVWOF-PMACEKPBSA-N 2 2 334.504 3.019 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651691262 462304775 /nfs/dbraw/zinc/30/47/75/462304775.db2.gz JIEUYPXHXHZVGT-HNNXBMFYSA-N 2 2 326.843 3.167 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)C[NH+]1CCOCC1 ZINC000651720187 462314990 /nfs/dbraw/zinc/31/49/90/462314990.db2.gz SKFLNXZPUZOFHR-WFASDCNBSA-N 2 2 326.843 3.024 10 0 EGAELP c1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccncc4)CC3)noc2c1 ZINC000658067253 462364826 /nfs/dbraw/zinc/36/48/26/462364826.db2.gz TZMFFSLSNBPNBV-UHFFFAOYSA-N 2 2 336.439 3.020 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000665256751 462373680 /nfs/dbraw/zinc/37/36/80/462373680.db2.gz LRGWSYNGOMOFNB-XPGWFJOJSA-N 2 2 342.487 3.269 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277267 462381607 /nfs/dbraw/zinc/38/16/07/462381607.db2.gz XWUWDBWZBWHBRH-HMXCVIKNSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277267 462381612 /nfs/dbraw/zinc/38/16/12/462381612.db2.gz XWUWDBWZBWHBRH-HMXCVIKNSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000665278065 462381971 /nfs/dbraw/zinc/38/19/71/462381971.db2.gz UNHVUUBTKFCGIV-IVSQAGSJSA-N 2 2 348.462 3.176 10 0 EGAELP COC[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096206 462382379 /nfs/dbraw/zinc/38/23/79/462382379.db2.gz PMMQZZKDXKHVBN-WOJBJXKFSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096206 462382384 /nfs/dbraw/zinc/38/23/84/462382384.db2.gz PMMQZZKDXKHVBN-WOJBJXKFSA-N 2 2 346.515 3.071 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1F ZINC000658228475 462435717 /nfs/dbraw/zinc/43/57/17/462435717.db2.gz SLIGFNMAKDJLAJ-ZBFHGGJFSA-N 2 2 335.467 3.362 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658293433 462460152 /nfs/dbraw/zinc/46/01/52/462460152.db2.gz HBWSUCCWLUNPLZ-AZUAARDMSA-N 2 2 344.499 3.360 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658340757 462481851 /nfs/dbraw/zinc/48/18/51/462481851.db2.gz DJJCPAIRRMUSJG-NVXWUHKLSA-N 2 2 343.437 3.123 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658340757 462481856 /nfs/dbraw/zinc/48/18/56/462481856.db2.gz DJJCPAIRRMUSJG-NVXWUHKLSA-N 2 2 343.437 3.123 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662028692 462506265 /nfs/dbraw/zinc/50/62/65/462506265.db2.gz ANWIIQBRYRWLMC-ROUUACIJSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662028692 462506269 /nfs/dbraw/zinc/50/62/69/462506269.db2.gz ANWIIQBRYRWLMC-ROUUACIJSA-N 2 2 327.472 3.483 10 0 EGAELP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(CO)CC=CC1 ZINC000646085067 462512959 /nfs/dbraw/zinc/51/29/59/462512959.db2.gz LULHIGDQZFZWCZ-LJQANCHMSA-N 2 2 325.456 3.315 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175052883 533727611 /nfs/dbraw/zinc/72/76/11/533727611.db2.gz NSRVEDZMLQYKRS-QAETUUGQSA-N 2 2 340.471 3.311 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000174785721 536173716 /nfs/dbraw/zinc/17/37/16/536173716.db2.gz JJROBDYCICEMMK-QGZVFWFLSA-N 2 2 340.471 3.420 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000174785721 536173720 /nfs/dbraw/zinc/17/37/20/536173720.db2.gz JJROBDYCICEMMK-QGZVFWFLSA-N 2 2 340.471 3.420 10 0 EGAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168869 546654873 /nfs/dbraw/zinc/65/48/73/546654873.db2.gz WUFJDXRLDCFBBT-LJQANCHMSA-N 2 2 340.515 3.222 10 0 EGAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168869 546654876 /nfs/dbraw/zinc/65/48/76/546654876.db2.gz WUFJDXRLDCFBBT-LJQANCHMSA-N 2 2 340.515 3.222 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000163287130 546972204 /nfs/dbraw/zinc/97/22/04/546972204.db2.gz MYXLGPRNRSHTGK-MLGOLLRUSA-N 2 2 341.415 3.226 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000163287130 546972210 /nfs/dbraw/zinc/97/22/10/546972210.db2.gz MYXLGPRNRSHTGK-MLGOLLRUSA-N 2 2 341.415 3.226 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990053 /nfs/dbraw/zinc/99/00/53/546990053.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990056 /nfs/dbraw/zinc/99/00/56/546990056.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990060 /nfs/dbraw/zinc/99/00/60/546990060.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990064 /nfs/dbraw/zinc/99/00/64/546990064.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 3 2 333.545 3.347 10 0 EGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177101266 547023386 /nfs/dbraw/zinc/02/33/86/547023386.db2.gz XOQNWTAGRWJIDD-LLVKDONJSA-N 2 2 326.263 3.372 10 0 EGAELP Brc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177101266 547023389 /nfs/dbraw/zinc/02/33/89/547023389.db2.gz XOQNWTAGRWJIDD-LLVKDONJSA-N 2 2 326.263 3.372 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000354492092 547707196 /nfs/dbraw/zinc/70/71/96/547707196.db2.gz JBUFCDBMKCGFOD-INIZCTEOSA-N 2 2 344.503 3.225 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000398079910 547835872 /nfs/dbraw/zinc/83/58/72/547835872.db2.gz RKNUBPXHBCQDQW-PXCRPINLSA-N 2 2 328.500 3.444 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000398079910 547835876 /nfs/dbraw/zinc/83/58/76/547835876.db2.gz RKNUBPXHBCQDQW-PXCRPINLSA-N 2 2 328.500 3.444 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000675917478 549004479 /nfs/dbraw/zinc/00/44/79/549004479.db2.gz CDUJMWONQVJZOR-HNAYVOBHSA-N 2 2 335.455 3.462 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)cc1 ZINC000680321010 549848126 /nfs/dbraw/zinc/84/81/26/549848126.db2.gz DFMSAETXRNVZJR-UHFFFAOYSA-N 2 2 340.471 3.054 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)cc1 ZINC000680321010 549848127 /nfs/dbraw/zinc/84/81/27/549848127.db2.gz DFMSAETXRNVZJR-UHFFFAOYSA-N 2 2 340.471 3.054 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000684379396 550321757 /nfs/dbraw/zinc/32/17/57/550321757.db2.gz FWTVMGASHHFAMN-YZGWKJHDSA-N 2 2 346.515 3.434 10 0 EGAELP COc1ccc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000685629774 550434600 /nfs/dbraw/zinc/43/46/00/550434600.db2.gz UUGBOOHLUXHFQR-CYBMUJFWSA-N 2 2 340.452 3.189 10 0 EGAELP COc1ccc(-c2nc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cs2)cc1 ZINC000685629774 550434602 /nfs/dbraw/zinc/43/46/02/550434602.db2.gz UUGBOOHLUXHFQR-CYBMUJFWSA-N 2 2 340.452 3.189 10 0 EGAELP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000872089164 1296727016 /nfs/dbraw/zinc/72/70/16/1296727016.db2.gz UDZIGHUMPVSJAE-SFTDATJTSA-N 2 2 328.500 3.167 10 0 EGAELP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000310053286 1297085483 /nfs/dbraw/zinc/08/54/83/1297085483.db2.gz LHYBZDOPRHOXPF-CGZBRXJRSA-N 2 2 339.524 3.237 10 0 EGAELP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000310053286 1297085498 /nfs/dbraw/zinc/08/54/98/1297085498.db2.gz LHYBZDOPRHOXPF-CGZBRXJRSA-N 2 2 339.524 3.237 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000311988296 1297112620 /nfs/dbraw/zinc/11/26/20/1297112620.db2.gz PPACRVIKJJJYIX-GFCCVEGCSA-N 2 2 327.266 3.019 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000311988296 1297112628 /nfs/dbraw/zinc/11/26/28/1297112628.db2.gz PPACRVIKJJJYIX-GFCCVEGCSA-N 2 2 327.266 3.019 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877167681 1299190659 /nfs/dbraw/zinc/19/06/59/1299190659.db2.gz GPMGMMMASIPHNY-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000877167681 1299190663 /nfs/dbraw/zinc/19/06/63/1299190663.db2.gz GPMGMMMASIPHNY-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000877666071 1299466318 /nfs/dbraw/zinc/46/63/18/1299466318.db2.gz UQPKOZXIKACJJQ-YJBOKZPZSA-N 2 2 343.446 3.087 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000877666071 1299466323 /nfs/dbraw/zinc/46/63/23/1299466323.db2.gz UQPKOZXIKACJJQ-YJBOKZPZSA-N 2 2 343.446 3.087 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)c12 ZINC000892778535 1305550280 /nfs/dbraw/zinc/55/02/80/1305550280.db2.gz ZHACMMSFJZVYAL-OAQYLSRUSA-N 2 2 347.466 3.222 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)c12 ZINC000892778535 1305550285 /nfs/dbraw/zinc/55/02/85/1305550285.db2.gz ZHACMMSFJZVYAL-OAQYLSRUSA-N 2 2 347.466 3.222 10 0 EGAELP Cc1noc2ncc(CN(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)cc12 ZINC000895116798 1309197744 /nfs/dbraw/zinc/19/77/44/1309197744.db2.gz UELDVZCNDJRDPF-WKILWMFISA-N 2 2 337.427 3.203 10 0 EGAELP COCC1(C[NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000895647108 1309447298 /nfs/dbraw/zinc/44/72/98/1309447298.db2.gz LYCRYCMBHUAYCW-IBGZPJMESA-N 2 2 329.488 3.200 10 0 EGAELP COCC1(C[NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000895647108 1309447300 /nfs/dbraw/zinc/44/73/00/1309447300.db2.gz LYCRYCMBHUAYCW-IBGZPJMESA-N 2 2 329.488 3.200 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000895828533 1309542736 /nfs/dbraw/zinc/54/27/36/1309542736.db2.gz WLSHCLDOHNROBB-UHFFFAOYSA-N 3 2 345.531 3.077 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+](C)C ZINC000926962811 1327799894 /nfs/dbraw/zinc/79/98/94/1327799894.db2.gz NCIXZPHCFUPXNO-PWSUYJOCSA-N 2 2 334.291 3.193 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1F ZINC000857850083 1328603241 /nfs/dbraw/zinc/60/32/41/1328603241.db2.gz NTTUADDODXGEAO-MRXNPFEDSA-N 2 2 325.391 3.210 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000929804767 1328704953 /nfs/dbraw/zinc/70/49/53/1328704953.db2.gz YGHYHRQHWRURQS-GOEBONIOSA-N 2 2 348.491 3.283 10 0 EGAELP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000858328767 1328738835 /nfs/dbraw/zinc/73/88/35/1328738835.db2.gz BXIFUYSAVFKGEF-CYBMUJFWSA-N 2 2 348.472 3.033 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532623 1328790273 /nfs/dbraw/zinc/79/02/73/1328790273.db2.gz MAJRXPUOZYPSED-DNVCBOLYSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532623 1328790276 /nfs/dbraw/zinc/79/02/76/1328790276.db2.gz MAJRXPUOZYPSED-DNVCBOLYSA-N 2 2 343.471 3.311 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747350 1322390274 /nfs/dbraw/zinc/39/02/74/1322390274.db2.gz NKZILUNPIUUHAK-RDJZCZTQSA-N 2 2 339.911 3.270 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747350 1322390277 /nfs/dbraw/zinc/39/02/77/1322390277.db2.gz NKZILUNPIUUHAK-RDJZCZTQSA-N 2 2 339.911 3.270 10 0 EGAELP CC(C)(/C=C/Cl)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922643763 1322578481 /nfs/dbraw/zinc/57/84/81/1322578481.db2.gz CCKDZQXJYWFXIC-BQYQJAHWSA-N 2 2 338.879 3.018 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000924587197 1323065617 /nfs/dbraw/zinc/06/56/17/1323065617.db2.gz RYPDTOQMGVIRTM-INIZCTEOSA-N 2 2 341.503 3.443 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000924627112 1323082820 /nfs/dbraw/zinc/08/28/20/1323082820.db2.gz ZSPCZBITLPJQOO-HXUWFJFHSA-N 2 2 325.456 3.226 10 0 EGAELP Clc1cccc2c1[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)COC2 ZINC000924644845 1323090293 /nfs/dbraw/zinc/09/02/93/1323090293.db2.gz ACWGVFYSZCWVFA-INIZCTEOSA-N 2 2 331.847 3.276 10 0 EGAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccns3)cc2)CC1 ZINC000924692682 1323115417 /nfs/dbraw/zinc/11/54/17/1323115417.db2.gz QHXZEQATBLTGSY-INIZCTEOSA-N 2 2 344.528 3.131 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cn1 ZINC000924723249 1323134697 /nfs/dbraw/zinc/13/46/97/1323134697.db2.gz KDHNHGWCEVVUFF-INIZCTEOSA-N 2 2 339.830 3.401 10 0 EGAELP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC12CCOCC2)c1ccccc1 ZINC000925057478 1323259502 /nfs/dbraw/zinc/25/95/02/1323259502.db2.gz HICBXQBHOOZNDR-WMZOPIPTSA-N 2 2 332.488 3.044 10 0 EGAELP C[NH+](C)C1(C)CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000931350704 1329099957 /nfs/dbraw/zinc/09/99/57/1329099957.db2.gz UVAHENHYQTXOGR-HNNXBMFYSA-N 2 2 330.394 3.155 10 0 EGAELP Cc1ccc2c(C[NH+]3CCC(C)([NH+](C)C)CC3)cc(=O)oc2c1C ZINC000931353073 1329100719 /nfs/dbraw/zinc/10/07/19/1329100719.db2.gz LENJEFHXCGKVSC-UHFFFAOYSA-N 2 2 328.456 3.326 10 0 EGAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1c(Cl)cccc1Cl ZINC000925579663 1325219908 /nfs/dbraw/zinc/21/99/08/1325219908.db2.gz GPSRZBBEGHXSCJ-KGLIPLIRSA-N 2 2 329.271 3.291 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925596551 1325225964 /nfs/dbraw/zinc/22/59/64/1325225964.db2.gz WWGDMURQJBBUCQ-VDGAXYAQSA-N 2 2 331.504 3.258 10 0 EGAELP Nc1cc[nH+]c(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)c1 ZINC000925767169 1325291049 /nfs/dbraw/zinc/29/10/49/1325291049.db2.gz NRTIINYEAQVUBW-QZTJIDSGSA-N 2 2 331.847 3.197 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCOC34CCCCC4)[nH+]c2)C1 ZINC000925937642 1325364132 /nfs/dbraw/zinc/36/41/32/1325364132.db2.gz SXFPXVUBCUSLPK-QZTJIDSGSA-N 2 2 344.503 3.126 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C2 ZINC000926451008 1325559343 /nfs/dbraw/zinc/55/93/43/1325559343.db2.gz VCMYMCJEIWQIKC-OALUTQOASA-N 2 2 332.451 3.106 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)nc(C(C)C)[nH+]1 ZINC000863576424 1329564237 /nfs/dbraw/zinc/56/42/37/1329564237.db2.gz PZYFFBZMXFQMIG-INIZCTEOSA-N 2 2 348.878 3.297 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)(F)F ZINC000865416546 1329694468 /nfs/dbraw/zinc/69/44/68/1329694468.db2.gz BZSVZLISBFMTME-QWHCGFSZSA-N 2 2 332.341 3.441 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)(F)F ZINC000865416546 1329694469 /nfs/dbraw/zinc/69/44/69/1329694469.db2.gz BZSVZLISBFMTME-QWHCGFSZSA-N 2 2 332.341 3.441 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866225485 1330080844 /nfs/dbraw/zinc/08/08/44/1330080844.db2.gz ZTGUZXDIXOQYJU-UXHICEINSA-N 2 2 325.456 3.369 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412628 1330108741 /nfs/dbraw/zinc/10/87/41/1330108741.db2.gz LGRPGAVOVSPPDC-BBRMVZONSA-N 2 2 344.421 3.071 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412628 1330108742 /nfs/dbraw/zinc/10/87/42/1330108742.db2.gz LGRPGAVOVSPPDC-BBRMVZONSA-N 2 2 344.421 3.071 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708227 1330143591 /nfs/dbraw/zinc/14/35/91/1330143591.db2.gz YNGWWLGXJBCSBP-BEFAXECRSA-N 2 2 327.476 3.025 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708227 1330143592 /nfs/dbraw/zinc/14/35/92/1330143592.db2.gz YNGWWLGXJBCSBP-BEFAXECRSA-N 2 2 327.476 3.025 10 0 EGAELP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001323658001 1387417596 /nfs/dbraw/zinc/41/75/96/1387417596.db2.gz IQPYTJLCYRJWQJ-AYHJJNSGSA-N 2 2 346.519 3.228 10 0 EGAELP CCC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001323733372 1387434806 /nfs/dbraw/zinc/43/48/06/1387434806.db2.gz HJPIBIPRGJAZJG-UHFFFAOYSA-N 2 2 346.519 3.040 10 0 EGAELP CCC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001323733372 1387434809 /nfs/dbraw/zinc/43/48/09/1387434809.db2.gz HJPIBIPRGJAZJG-UHFFFAOYSA-N 2 2 346.519 3.040 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001323856720 1387477048 /nfs/dbraw/zinc/47/70/48/1387477048.db2.gz DAGWBUMRUVGVRC-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001323856720 1387477050 /nfs/dbraw/zinc/47/70/50/1387477050.db2.gz DAGWBUMRUVGVRC-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001323856720 1387477053 /nfs/dbraw/zinc/47/70/53/1387477053.db2.gz DAGWBUMRUVGVRC-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP 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1390195601 /nfs/dbraw/zinc/19/56/01/1390195601.db2.gz ROEJKONZSNFGEK-WBVHZDCISA-N 2 2 348.535 3.002 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccncc2Br)C1 ZINC001351381516 1391634169 /nfs/dbraw/zinc/63/41/69/1391634169.db2.gz KJARRFHOBYFHFR-CYBMUJFWSA-N 2 2 349.276 3.032 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccncc2Br)C1 ZINC001351381516 1391634171 /nfs/dbraw/zinc/63/41/71/1391634171.db2.gz KJARRFHOBYFHFR-CYBMUJFWSA-N 2 2 349.276 3.032 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001479328137 1392215911 /nfs/dbraw/zinc/21/59/11/1392215911.db2.gz LTJCDNXHKRSQEP-YESZJQIVSA-N 2 2 334.508 3.145 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC[N@@H+]1CC=C(C)C ZINC001479637511 1392300043 /nfs/dbraw/zinc/30/00/43/1392300043.db2.gz RRPLLVINPSKFEZ-IPMKNSEASA-N 2 2 346.519 3.406 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC[N@H+]1CC=C(C)C ZINC001479637511 1392300046 /nfs/dbraw/zinc/30/00/46/1392300046.db2.gz RRPLLVINPSKFEZ-IPMKNSEASA-N 2 2 346.519 3.406 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698854229 1406559044 /nfs/dbraw/zinc/55/90/44/1406559044.db2.gz HHNZQUJWEVVIPV-JKSUJKDBSA-N 2 2 342.487 3.075 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001479800113 1392399365 /nfs/dbraw/zinc/39/93/65/1392399365.db2.gz SEOPMQZOEUYKIG-KRWDZBQOSA-N 2 2 334.508 3.243 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001479800113 1392399367 /nfs/dbraw/zinc/39/93/67/1392399367.db2.gz SEOPMQZOEUYKIG-KRWDZBQOSA-N 2 2 334.508 3.243 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479830828 1392417304 /nfs/dbraw/zinc/41/73/04/1392417304.db2.gz FGBBTJGAWFAIEM-FUHWJXTLSA-N 2 2 346.519 3.282 10 0 EGAELP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001698864300 1406577247 /nfs/dbraw/zinc/57/72/47/1406577247.db2.gz RWHIOODCOGYLEX-AOCRQIFASA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190324 1392620114 /nfs/dbraw/zinc/62/01/14/1392620114.db2.gz ZOGLAKASVUSVFP-ZWKOTPCHSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190324 1392620115 /nfs/dbraw/zinc/62/01/15/1392620115.db2.gz ZOGLAKASVUSVFP-ZWKOTPCHSA-N 2 2 346.519 3.022 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480257938 1392641639 /nfs/dbraw/zinc/64/16/39/1392641639.db2.gz OHLMLFPPQCQSDO-OAHLLOKOSA-N 2 2 328.460 3.195 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480257938 1392641644 /nfs/dbraw/zinc/64/16/44/1392641644.db2.gz OHLMLFPPQCQSDO-OAHLLOKOSA-N 2 2 328.460 3.195 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480263876 1392648373 /nfs/dbraw/zinc/64/83/73/1392648373.db2.gz STRJWDLEZRJRGF-SJLPKXTDSA-N 2 2 334.508 3.099 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480263876 1392648374 /nfs/dbraw/zinc/64/83/74/1392648374.db2.gz STRJWDLEZRJRGF-SJLPKXTDSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480264351 1392648774 /nfs/dbraw/zinc/64/87/74/1392648774.db2.gz YOSXPVSRUBZROQ-QZTJIDSGSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480264351 1392648777 /nfs/dbraw/zinc/64/87/77/1392648777.db2.gz YOSXPVSRUBZROQ-QZTJIDSGSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)CC(C)C)ccn12 ZINC001698867156 1406582493 /nfs/dbraw/zinc/58/24/93/1406582493.db2.gz KASZGZMKBHPCKI-YOEHRIQHSA-N 2 2 348.466 3.125 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328562 1392687932 /nfs/dbraw/zinc/68/79/32/1392687932.db2.gz VYIZZNWQUWSNKU-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328562 1392687936 /nfs/dbraw/zinc/68/79/36/1392687936.db2.gz VYIZZNWQUWSNKU-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001480328400 1392688100 /nfs/dbraw/zinc/68/81/00/1392688100.db2.gz SHILFGXYISGOKB-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001480328400 1392688107 /nfs/dbraw/zinc/68/81/07/1392688107.db2.gz SHILFGXYISGOKB-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001480328400 1392688108 /nfs/dbraw/zinc/68/81/08/1392688108.db2.gz SHILFGXYISGOKB-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001480328400 1392688111 /nfs/dbraw/zinc/68/81/11/1392688111.db2.gz SHILFGXYISGOKB-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001480824115 1392963012 /nfs/dbraw/zinc/96/30/12/1392963012.db2.gz NSLFTXSVIADIAJ-KRWDZBQOSA-N 2 2 342.487 3.499 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001480824115 1392963014 /nfs/dbraw/zinc/96/30/14/1392963014.db2.gz NSLFTXSVIADIAJ-KRWDZBQOSA-N 2 2 342.487 3.499 10 0 EGAELP C[C@H](CC(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1)n1cc[nH+]c1 ZINC001481187110 1393145350 /nfs/dbraw/zinc/14/53/50/1393145350.db2.gz GBBFWGHDKOAFAI-LXPRWKDFSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1)n1cc[nH+]c1 ZINC001481187110 1393145351 /nfs/dbraw/zinc/14/53/51/1393145351.db2.gz GBBFWGHDKOAFAI-LXPRWKDFSA-N 2 2 346.519 3.241 10 0 EGAELP O=C(N[C@H](C[NH2+]CCCF)C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001698882126 1406612251 /nfs/dbraw/zinc/61/22/51/1406612251.db2.gz UUKVJWYNQDZVAH-GOSISDBHSA-N 2 2 346.450 3.191 10 0 EGAELP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001481339770 1393167441 /nfs/dbraw/zinc/16/74/41/1393167441.db2.gz MWJPSYKCOCVFHI-MRXNPFEDSA-N 2 2 348.535 3.484 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001698936004 1406675260 /nfs/dbraw/zinc/67/52/60/1406675260.db2.gz HHWTXIYSZWQCBJ-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001698936004 1406675264 /nfs/dbraw/zinc/67/52/64/1406675264.db2.gz HHWTXIYSZWQCBJ-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490767805 1394329257 /nfs/dbraw/zinc/32/92/57/1394329257.db2.gz WYUMOEFYOAVIAS-HUUCEWRRSA-N 2 2 346.450 3.095 10 0 EGAELP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490767805 1394329261 /nfs/dbraw/zinc/32/92/61/1394329261.db2.gz WYUMOEFYOAVIAS-HUUCEWRRSA-N 2 2 346.450 3.095 10 0 EGAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CC2(CCC2)C1 ZINC001481832080 1394549913 /nfs/dbraw/zinc/54/99/13/1394549913.db2.gz GNNOPIGGWFPQTN-INIZCTEOSA-N 2 2 340.471 3.013 10 0 EGAELP C[N@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CC1CCCCC1 ZINC001698955943 1406703922 /nfs/dbraw/zinc/70/39/22/1406703922.db2.gz GPVORRHEOOYJAB-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[N@@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CC1CCCCC1 ZINC001698955943 1406703925 /nfs/dbraw/zinc/70/39/25/1406703925.db2.gz GPVORRHEOOYJAB-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001698956277 1406704442 /nfs/dbraw/zinc/70/44/42/1406704442.db2.gz RJAFWKHSOVYXBZ-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001698956277 1406704448 /nfs/dbraw/zinc/70/44/48/1406704448.db2.gz RJAFWKHSOVYXBZ-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481999943 1394659282 /nfs/dbraw/zinc/65/92/82/1394659282.db2.gz AUJMIRRYRGXQAI-CQSZACIVSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482386248 1394947180 /nfs/dbraw/zinc/94/71/80/1394947180.db2.gz FUHHSMWIZUFHDD-DZGCQCFKSA-N 2 2 334.439 3.045 10 0 EGAELP CC[C@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482452737 1395010895 /nfs/dbraw/zinc/01/08/95/1395010895.db2.gz HDLCBZHCFYOZDV-HOTGVXAUSA-N 2 2 346.450 3.057 10 0 EGAELP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001483939655 1395153606 /nfs/dbraw/zinc/15/36/06/1395153606.db2.gz OOIJOLPUGZHAQQ-KRWDZBQOSA-N 2 2 340.471 3.109 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484102401 1395252112 /nfs/dbraw/zinc/25/21/12/1395252112.db2.gz XNHYQRJLFYZHJZ-KUHUBIRLSA-N 2 2 328.460 3.051 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484132450 1395271403 /nfs/dbraw/zinc/27/14/03/1395271403.db2.gz RVGMWAUKTABJKY-IPLHWJFFSA-N 2 2 335.536 3.045 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484132450 1395271407 /nfs/dbraw/zinc/27/14/07/1395271407.db2.gz RVGMWAUKTABJKY-IPLHWJFFSA-N 2 2 335.536 3.045 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484139395 1395276629 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ZINC001700464109 1414066469 /nfs/dbraw/zinc/06/64/69/1414066469.db2.gz PMCUZZKRACNHMZ-XITLMJRVSA-N 2 2 342.487 3.439 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464109 1414066471 /nfs/dbraw/zinc/06/64/71/1414066471.db2.gz PMCUZZKRACNHMZ-XITLMJRVSA-N 2 2 342.487 3.439 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@@H]([NH2+]CCCF)C(C)C)ccn12 ZINC001700499831 1414147093 /nfs/dbraw/zinc/14/70/93/1414147093.db2.gz LMDHHGKSXAMJNJ-QGZVFWFLSA-N 2 2 348.466 3.079 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]C(C)C)CCCCC3)ccn12 ZINC001700511471 1414160482 /nfs/dbraw/zinc/16/04/82/1414160482.db2.gz FFVSDEAMJYNXTO-UHFFFAOYSA-N 2 2 328.460 3.073 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC001700512234 1414161701 /nfs/dbraw/zinc/16/17/01/1414161701.db2.gz RXRHHAFQUPVMPF-UHFFFAOYSA-N 2 2 346.500 3.013 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC001700512234 1414161705 /nfs/dbraw/zinc/16/17/05/1414161705.db2.gz RXRHHAFQUPVMPF-UHFFFAOYSA-N 2 2 346.500 3.013 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001732699281 1428915491 /nfs/dbraw/zinc/91/54/91/1428915491.db2.gz QTWSQLCULVLHCG-IAGOWNOFSA-N 2 2 342.487 3.205 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001732699281 1428915494 /nfs/dbraw/zinc/91/54/94/1428915494.db2.gz QTWSQLCULVLHCG-IAGOWNOFSA-N 2 2 342.487 3.205 10 0 EGAELP CC[C@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001732916196 1429045698 /nfs/dbraw/zinc/04/56/98/1429045698.db2.gz LQDBUZHFAXNXJT-QGZUEGPWSA-N 2 2 346.862 3.019 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001707197433 1417240389 /nfs/dbraw/zinc/24/03/89/1417240389.db2.gz DYSYSMRWZUOHCM-RBUKOAKNSA-N 2 2 346.519 3.213 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001707197433 1417240393 /nfs/dbraw/zinc/24/03/93/1417240393.db2.gz DYSYSMRWZUOHCM-RBUKOAKNSA-N 2 2 346.519 3.213 10 0 EGAELP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707272049 1417278225 /nfs/dbraw/zinc/27/82/25/1417278225.db2.gz SXFWQVMYJFHJRC-CVEARBPZSA-N 2 2 346.450 3.238 10 0 EGAELP CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707272049 1417278228 /nfs/dbraw/zinc/27/82/28/1417278228.db2.gz SXFWQVMYJFHJRC-CVEARBPZSA-N 2 2 346.450 3.238 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707279800 1417288360 /nfs/dbraw/zinc/28/83/60/1417288360.db2.gz KAMKQEOCNCRIPE-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707279800 1417288363 /nfs/dbraw/zinc/28/83/63/1417288363.db2.gz KAMKQEOCNCRIPE-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1=CCCCC1 ZINC001712954284 1417511212 /nfs/dbraw/zinc/51/12/12/1417511212.db2.gz MMTAWUHIUFPYEV-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1=CCCCC1 ZINC001712954284 1417511215 /nfs/dbraw/zinc/51/12/15/1417511215.db2.gz MMTAWUHIUFPYEV-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2cccc(F)c2)c(C)[nH+]1 ZINC001712961151 1417516281 /nfs/dbraw/zinc/51/62/81/1417516281.db2.gz PPCXRAWSNORNAQ-UHFFFAOYSA-N 2 2 343.446 3.398 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)Cc2cccc(F)c2)c(C)[nH+]1 ZINC001712961151 1417516282 /nfs/dbraw/zinc/51/62/82/1417516282.db2.gz PPCXRAWSNORNAQ-UHFFFAOYSA-N 2 2 343.446 3.398 10 0 EGAELP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733051750 1429190334 /nfs/dbraw/zinc/19/03/34/1429190334.db2.gz ABDYALDXAOPGCL-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733051750 1429190335 /nfs/dbraw/zinc/19/03/35/1429190335.db2.gz ABDYALDXAOPGCL-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCC(C)(C)C ZINC001713016247 1417569400 /nfs/dbraw/zinc/56/94/00/1417569400.db2.gz TXHDUAGIUGDJAL-UHFFFAOYSA-N 2 2 336.524 3.191 10 0 EGAELP CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCC(C)(C)C ZINC001713016247 1417569403 /nfs/dbraw/zinc/56/94/03/1417569403.db2.gz TXHDUAGIUGDJAL-UHFFFAOYSA-N 2 2 336.524 3.191 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001713162087 1417737645 /nfs/dbraw/zinc/73/76/45/1417737645.db2.gz SWZAHVNIBUNBFD-GUDVDZBRSA-N 2 2 346.519 3.287 10 0 EGAELP O=C(N[C@H]1CCC[C@H]([NH2+]CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001713374432 1417985164 /nfs/dbraw/zinc/98/51/64/1417985164.db2.gz JTUVVANOHJEXCT-HOTGVXAUSA-N 2 2 346.450 3.333 10 0 EGAELP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713764382 1418576584 /nfs/dbraw/zinc/57/65/84/1418576584.db2.gz AFKKKAGFZLUSMS-IFOCYFHOSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713764382 1418576587 /nfs/dbraw/zinc/57/65/87/1418576587.db2.gz AFKKKAGFZLUSMS-IFOCYFHOSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713764382 1418576590 /nfs/dbraw/zinc/57/65/90/1418576590.db2.gz AFKKKAGFZLUSMS-IFOCYFHOSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713764382 1418576591 /nfs/dbraw/zinc/57/65/91/1418576591.db2.gz AFKKKAGFZLUSMS-IFOCYFHOSA-N 2 2 344.503 3.040 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001714256759 1419040441 /nfs/dbraw/zinc/04/04/41/1419040441.db2.gz RMTLVAQPEKLJPV-HIFRSBDPSA-N 2 2 339.430 3.150 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCCC1CCCC1 ZINC001714414700 1419152480 /nfs/dbraw/zinc/15/24/80/1419152480.db2.gz QDFPUDMTXPTYCS-MRXNPFEDSA-N 2 2 342.487 3.260 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001714510116 1419237392 /nfs/dbraw/zinc/23/73/92/1419237392.db2.gz IOOPLYPGVOEJKA-UHFFFAOYSA-N 2 2 346.519 3.250 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714519812 1419246394 /nfs/dbraw/zinc/24/63/94/1419246394.db2.gz VRQOGGMWAKUXBO-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714519812 1419246396 /nfs/dbraw/zinc/24/63/96/1419246396.db2.gz VRQOGGMWAKUXBO-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001714524472 1419250746 /nfs/dbraw/zinc/25/07/46/1419250746.db2.gz QDKPFYCPUIROQJ-PYTPGESOSA-N 2 2 344.503 3.115 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+]CC[C@@H](C)F)CC3)ccn12 ZINC001715181737 1419915420 /nfs/dbraw/zinc/91/54/20/1419915420.db2.gz FSPMRILCMFKXJG-KBRIMQKVSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001715342919 1420045164 /nfs/dbraw/zinc/04/51/64/1420045164.db2.gz BQHQGGROESFGTF-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001715475331 1420154398 /nfs/dbraw/zinc/15/43/98/1420154398.db2.gz KRLZKCAWSMXIDM-DNVCBOLYSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCC(C)(C)C ZINC001715596607 1420264132 /nfs/dbraw/zinc/26/41/32/1420264132.db2.gz MZNWLNOECBZSTE-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@H](CC[NH2+]CCCC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715655872 1420280651 /nfs/dbraw/zinc/28/06/51/1420280651.db2.gz BTDRWZJIQKAROD-CQSZACIVSA-N 2 2 328.460 3.241 10 0 EGAELP CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715744774 1420321719 /nfs/dbraw/zinc/32/17/19/1420321719.db2.gz TWEJNKBNRBPROH-OWCLPIDISA-N 2 2 340.471 3.051 10 0 EGAELP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716242568 1420578904 /nfs/dbraw/zinc/57/89/04/1420578904.db2.gz FDBKXWRKEPFWDT-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2C)c[nH+]1 ZINC001716401315 1420635018 /nfs/dbraw/zinc/63/50/18/1420635018.db2.gz CCUQNUONLRDCIM-WBVHZDCISA-N 2 2 342.487 3.091 10 0 EGAELP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001716555184 1420758906 /nfs/dbraw/zinc/75/89/06/1420758906.db2.gz JWASRCOQBWEZLG-UHFFFAOYSA-N 2 2 330.476 3.212 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716685510 1420838822 /nfs/dbraw/zinc/83/88/22/1420838822.db2.gz DLZYEJWPZWPXIZ-HNNXBMFYSA-N 2 2 348.450 3.485 10 0 EGAELP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716867022 1420995870 /nfs/dbraw/zinc/99/58/70/1420995870.db2.gz MZDFNBUXTHMJMH-HXUWFJFHSA-N 2 2 340.471 3.195 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717198949 1421166254 /nfs/dbraw/zinc/16/62/54/1421166254.db2.gz BYBZFKDGMSACRU-VMLVWOMUSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717198949 1421166255 /nfs/dbraw/zinc/16/62/55/1421166255.db2.gz BYBZFKDGMSACRU-VMLVWOMUSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001717358765 1421293874 /nfs/dbraw/zinc/29/38/74/1421293874.db2.gz QHVUMMLLGTTXNS-KRWDZBQOSA-N 2 2 342.487 3.355 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001733292321 1429471421 /nfs/dbraw/zinc/47/14/21/1429471421.db2.gz JLOZAAIJMFBLAK-UHFFFAOYSA-N 2 2 346.519 3.011 10 0 EGAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CC1CCCCCC1 ZINC001717490179 1421428549 /nfs/dbraw/zinc/42/85/49/1421428549.db2.gz HOFVEZWAODFESM-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CC1CCCCCC1 ZINC001717490179 1421428550 /nfs/dbraw/zinc/42/85/50/1421428550.db2.gz HOFVEZWAODFESM-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001717525785 1421461600 /nfs/dbraw/zinc/46/16/00/1421461600.db2.gz CPEACTPNKNQIGY-QGZVFWFLSA-N 2 2 334.508 3.289 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001717642685 1421546613 /nfs/dbraw/zinc/54/66/13/1421546613.db2.gz DDPVCPCZQDBBPO-ZOBUZTSGSA-N 2 2 342.487 3.343 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001717835671 1421648838 /nfs/dbraw/zinc/64/88/38/1421648838.db2.gz CVSNBEGPCPKOMJ-GGPKGHCWSA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001717835671 1421648840 /nfs/dbraw/zinc/64/88/40/1421648840.db2.gz CVSNBEGPCPKOMJ-GGPKGHCWSA-N 2 2 346.519 3.240 10 0 EGAELP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717978712 1421749571 /nfs/dbraw/zinc/74/95/71/1421749571.db2.gz GYDRPAKNNPXFDJ-SJLPKXTDSA-N 2 2 334.508 3.097 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001733324742 1429509371 /nfs/dbraw/zinc/50/93/71/1429509371.db2.gz FBQCRFZNCNSIAN-HZPDHXFCSA-N 2 2 328.460 3.107 10 0 EGAELP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001733459494 1429681946 /nfs/dbraw/zinc/68/19/46/1429681946.db2.gz AFPMAMLEALULAT-HXUWFJFHSA-N 2 2 347.503 3.041 10 0 EGAELP CCCCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001733459494 1429681947 /nfs/dbraw/zinc/68/19/47/1429681947.db2.gz AFPMAMLEALULAT-HXUWFJFHSA-N 2 2 347.503 3.041 10 0 EGAELP CC[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1[NH2+]CCC(C)C ZINC001723372948 1424375174 /nfs/dbraw/zinc/37/51/74/1424375174.db2.gz SJNQUXXQTQUNGF-ZWKOTPCHSA-N 2 2 348.535 3.189 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692352 1424533297 /nfs/dbraw/zinc/53/32/97/1424533297.db2.gz YFQAAFGDSYTFIT-UYAOXDASSA-N 2 2 346.519 3.339 10 0 EGAELP CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692352 1424533299 /nfs/dbraw/zinc/53/32/99/1424533299.db2.gz YFQAAFGDSYTFIT-UYAOXDASSA-N 2 2 346.519 3.339 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001723825246 1424577848 /nfs/dbraw/zinc/57/78/48/1424577848.db2.gz FRJNKRVWOUJULK-FXAWDEMLSA-N 2 2 345.531 3.114 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001723920867 1424604513 /nfs/dbraw/zinc/60/45/13/1424604513.db2.gz OSFNMJLNXYRICK-KRWDZBQOSA-N 2 2 340.471 3.337 10 0 EGAELP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001733549433 1429750594 /nfs/dbraw/zinc/75/05/94/1429750594.db2.gz KSFFTICXIWFLPR-ZBFHGGJFSA-N 2 2 342.487 3.297 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001724557567 1424912241 /nfs/dbraw/zinc/91/22/41/1424912241.db2.gz DFMLQSQYTCWFID-YJBOKZPZSA-N 2 2 346.519 3.058 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848939 1425207378 /nfs/dbraw/zinc/20/73/78/1425207378.db2.gz PSLWFDKFEQOUEM-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848939 1425207382 /nfs/dbraw/zinc/20/73/82/1425207382.db2.gz PSLWFDKFEQOUEM-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848939 1425207384 /nfs/dbraw/zinc/20/73/84/1425207384.db2.gz PSLWFDKFEQOUEM-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848939 1425207385 /nfs/dbraw/zinc/20/73/85/1425207385.db2.gz PSLWFDKFEQOUEM-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001724899754 1425294368 /nfs/dbraw/zinc/29/43/68/1425294368.db2.gz OYGDTINTYXDUDP-ICSRJNTNSA-N 2 2 346.519 3.024 10 0 EGAELP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001724899754 1425294371 /nfs/dbraw/zinc/29/43/71/1425294371.db2.gz OYGDTINTYXDUDP-ICSRJNTNSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001724962281 1425351804 /nfs/dbraw/zinc/35/18/04/1425351804.db2.gz UQCNTFUSIUKQGO-INIZCTEOSA-N 2 2 348.535 3.340 10 0 EGAELP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001725104945 1425553532 /nfs/dbraw/zinc/55/35/32/1425553532.db2.gz QQAOYLYHASJMOX-HZPDHXFCSA-N 2 2 342.487 3.405 10 0 EGAELP CC(C)c1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001725108416 1425561115 /nfs/dbraw/zinc/56/11/15/1425561115.db2.gz YTZDLCSSDVLHIU-IAGOWNOFSA-N 2 2 342.487 3.080 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC001725364181 1426014163 /nfs/dbraw/zinc/01/41/63/1426014163.db2.gz NMYGUASCINVIHD-SFNKJDCFSA-N 2 2 340.471 3.080 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001725595384 1426251179 /nfs/dbraw/zinc/25/11/79/1426251179.db2.gz SMVSKIAVDCBTQS-HOTGVXAUSA-N 2 2 328.460 3.107 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCCC(C)C)[C@H]2C)c[nH+]1 ZINC001725640028 1426316148 /nfs/dbraw/zinc/31/61/48/1426316148.db2.gz WQJKQVVCRFELOZ-ROUUACIJSA-N 2 2 348.535 3.332 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCCC(C)C)[C@H]2C)c[nH+]1 ZINC001725640028 1426316158 /nfs/dbraw/zinc/31/61/58/1426316158.db2.gz WQJKQVVCRFELOZ-ROUUACIJSA-N 2 2 348.535 3.332 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001731295121 1427237496 /nfs/dbraw/zinc/23/74/96/1427237496.db2.gz TVUSLEDVALTDTM-SJLPKXTDSA-N 2 2 334.508 3.200 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001731430313 1427412112 /nfs/dbraw/zinc/41/21/12/1427412112.db2.gz QBCGVJOKZCFLLA-DHAGBVFISA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001731430313 1427412119 /nfs/dbraw/zinc/41/21/19/1427412119.db2.gz QBCGVJOKZCFLLA-DHAGBVFISA-N 2 2 344.503 3.085 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544328 1427559287 /nfs/dbraw/zinc/55/92/87/1427559287.db2.gz UMDGWMXXQVWWCQ-SJLPKXTDSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544328 1427559292 /nfs/dbraw/zinc/55/92/92/1427559292.db2.gz UMDGWMXXQVWWCQ-SJLPKXTDSA-N 2 2 346.519 3.241 10 0 EGAELP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720207 1427788254 /nfs/dbraw/zinc/78/82/54/1427788254.db2.gz MLBBKPMTCIJVTK-OZSKJFCKSA-N 2 2 346.519 3.357 10 0 EGAELP CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720207 1427788259 /nfs/dbraw/zinc/78/82/59/1427788259.db2.gz MLBBKPMTCIJVTK-OZSKJFCKSA-N 2 2 346.519 3.357 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731727777 1427802158 /nfs/dbraw/zinc/80/21/58/1427802158.db2.gz ZLJVLLZBOCAOLP-LLYBFZRZSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@H+](C)CC3CCCC3)ccn12 ZINC001733772658 1430007933 /nfs/dbraw/zinc/00/79/33/1430007933.db2.gz IFBGENRWFYDCED-UHFFFAOYSA-N 2 2 342.487 3.227 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@@H+](C)CC3CCCC3)ccn12 ZINC001733772658 1430007940 /nfs/dbraw/zinc/00/79/40/1430007940.db2.gz IFBGENRWFYDCED-UHFFFAOYSA-N 2 2 342.487 3.227 10 0 EGAELP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC1CCCCC1 ZINC001733981056 1437778726 /nfs/dbraw/zinc/77/87/26/1437778726.db2.gz HAEIAITUCNWPNH-GJZGRUSLSA-N 2 2 328.460 3.011 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1(C[NH2+]CC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001734086190 1437871828 /nfs/dbraw/zinc/87/18/28/1437871828.db2.gz CFVSHQLZXJEMSY-SFHVURJKSA-N 2 2 346.519 3.289 10 0 EGAELP CC1(C)C[N@H+](CC2CCCCCC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001734143898 1437912566 /nfs/dbraw/zinc/91/25/66/1437912566.db2.gz AUTVEIIZCAURNX-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCCC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001734143898 1437912567 /nfs/dbraw/zinc/91/25/67/1437912567.db2.gz AUTVEIIZCAURNX-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@H+](CC2CCCCCC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001734143898 1437912568 /nfs/dbraw/zinc/91/25/68/1437912568.db2.gz AUTVEIIZCAURNX-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCCC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001734143898 1437912569 /nfs/dbraw/zinc/91/25/69/1437912569.db2.gz AUTVEIIZCAURNX-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]C/C=C/Cl)C(C)C)c(C)[nH+]1 ZINC001734289991 1438020146 /nfs/dbraw/zinc/02/01/46/1438020146.db2.gz ZFBVQUAQOXXHRZ-IQIBNGDESA-N 2 2 337.895 3.493 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001734565507 1438161455 /nfs/dbraw/zinc/16/14/55/1438161455.db2.gz YNKZRQNIWWMMGL-AEFFLSMTSA-N 2 2 348.535 3.002 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC(F)(F)F ZINC000368090144 168310136 /nfs/dbraw/zinc/31/01/36/168310136.db2.gz PPPCNSDFLVDIKO-LLVKDONJSA-N 2 2 343.324 3.137 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC(F)(F)F ZINC000368090144 168310138 /nfs/dbraw/zinc/31/01/38/168310138.db2.gz PPPCNSDFLVDIKO-LLVKDONJSA-N 2 2 343.324 3.137 10 0 EGAELP C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356830648 282080984 /nfs/dbraw/zinc/08/09/84/282080984.db2.gz ARRGCBZTMLASEH-UHFFFAOYSA-N 3 2 335.458 3.113 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442130 168356454 /nfs/dbraw/zinc/35/64/54/168356454.db2.gz KVCISLWJMIRBLV-JXFKEZNVSA-N 2 2 336.483 3.007 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442130 168356457 /nfs/dbraw/zinc/35/64/57/168356457.db2.gz KVCISLWJMIRBLV-JXFKEZNVSA-N 2 2 336.483 3.007 10 0 EGAELP O=C(c1ccccc1)C1CC[NH+](CC2=CSC3=[NH+]CCCN23)CC1 ZINC000101083850 219115766 /nfs/dbraw/zinc/11/57/66/219115766.db2.gz LPHMMZXGPRVHGX-UHFFFAOYSA-N 2 2 341.480 3.231 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462374 217228074 /nfs/dbraw/zinc/22/80/74/217228074.db2.gz ZCCQMJRYIPLTQM-MLGOLLRUSA-N 2 2 337.533 3.274 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462374 217228078 /nfs/dbraw/zinc/22/80/78/217228078.db2.gz ZCCQMJRYIPLTQM-MLGOLLRUSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462374 217228081 /nfs/dbraw/zinc/22/80/81/217228081.db2.gz ZCCQMJRYIPLTQM-MLGOLLRUSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462374 217228084 /nfs/dbraw/zinc/22/80/84/217228084.db2.gz ZCCQMJRYIPLTQM-MLGOLLRUSA-N 2 2 337.533 3.274 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762732 252213883 /nfs/dbraw/zinc/21/38/83/252213883.db2.gz MEVRSKSCOYURBQ-NQIIRXRSSA-N 3 2 348.494 3.377 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762732 252213887 /nfs/dbraw/zinc/21/38/87/252213887.db2.gz MEVRSKSCOYURBQ-NQIIRXRSSA-N 3 2 348.494 3.377 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268834779 252283453 /nfs/dbraw/zinc/28/34/53/252283453.db2.gz GIIOCEGBXQBGFG-FXAWDEMLSA-N 3 2 326.488 3.082 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268834779 252283454 /nfs/dbraw/zinc/28/34/54/252283454.db2.gz GIIOCEGBXQBGFG-FXAWDEMLSA-N 3 2 326.488 3.082 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C)s2)[C@@H]1c1cnn(C)c1 ZINC000328631141 258028439 /nfs/dbraw/zinc/02/84/39/258028439.db2.gz KCPVWXAOHCAQQK-MAUKXSAKSA-N 2 2 347.532 3.090 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C)s2)[C@@H]1c1cnn(C)c1 ZINC000328631141 258028440 /nfs/dbraw/zinc/02/84/40/258028440.db2.gz KCPVWXAOHCAQQK-MAUKXSAKSA-N 2 2 347.532 3.090 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc(C)s2)[C@@H]1c1cnn(C)c1 ZINC000328631141 258028442 /nfs/dbraw/zinc/02/84/42/258028442.db2.gz KCPVWXAOHCAQQK-MAUKXSAKSA-N 2 2 347.532 3.090 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc(C)s2)[C@@H]1c1cnn(C)c1 ZINC000328631141 258028443 /nfs/dbraw/zinc/02/84/43/258028443.db2.gz KCPVWXAOHCAQQK-MAUKXSAKSA-N 2 2 347.532 3.090 10 0 EGAELP c1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246506653 141013469 /nfs/dbraw/zinc/01/34/69/141013469.db2.gz HYVCVNDJZBXZKF-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246506653 141013473 /nfs/dbraw/zinc/01/34/73/141013473.db2.gz HYVCVNDJZBXZKF-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246506653 141013476 /nfs/dbraw/zinc/01/34/76/141013476.db2.gz HYVCVNDJZBXZKF-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246506653 141013480 /nfs/dbraw/zinc/01/34/80/141013480.db2.gz HYVCVNDJZBXZKF-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346191340 141176930 /nfs/dbraw/zinc/17/69/30/141176930.db2.gz BBZASYFRDOVQAN-MRXNPFEDSA-N 3 2 330.501 3.384 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346191340 141176933 /nfs/dbraw/zinc/17/69/33/141176933.db2.gz BBZASYFRDOVQAN-MRXNPFEDSA-N 3 2 330.501 3.384 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)(F)F ZINC000346190033 141177124 /nfs/dbraw/zinc/17/71/24/141177124.db2.gz VKJSAMRCFQWLIH-GFCCVEGCSA-N 2 2 344.406 3.002 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)(F)F ZINC000346190033 141177125 /nfs/dbraw/zinc/17/71/25/141177125.db2.gz VKJSAMRCFQWLIH-GFCCVEGCSA-N 2 2 344.406 3.002 10 0 EGAELP OCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc21 ZINC000346218115 141183556 /nfs/dbraw/zinc/18/35/56/141183556.db2.gz LZZIALFAGRBDTG-LJQANCHMSA-N 2 2 339.464 3.416 10 0 EGAELP OCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc21 ZINC000346218115 141183557 /nfs/dbraw/zinc/18/35/57/141183557.db2.gz LZZIALFAGRBDTG-LJQANCHMSA-N 2 2 339.464 3.416 10 0 EGAELP CC[NH+](CC)CC1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000350716826 141262255 /nfs/dbraw/zinc/26/22/55/141262255.db2.gz XZLPFTWTXSYIEM-UHFFFAOYSA-N 2 2 339.487 3.405 10 0 EGAELP C[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000172754494 144027323 /nfs/dbraw/zinc/02/73/23/144027323.db2.gz JVDFNLAMZFVWPQ-UHFFFAOYSA-N 2 2 349.906 3.020 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000178278204 144068449 /nfs/dbraw/zinc/06/84/49/144068449.db2.gz BVDHWVLNGUWNBH-LSTHTHJFSA-N 2 2 337.467 3.405 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000178278204 144068450 /nfs/dbraw/zinc/06/84/50/144068450.db2.gz BVDHWVLNGUWNBH-LSTHTHJFSA-N 2 2 337.467 3.405 10 0 EGAELP CCS[C@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000121398994 152349023 /nfs/dbraw/zinc/34/90/23/152349023.db2.gz ADWZEVKKPIVOPK-CQSZACIVSA-N 2 2 338.521 3.192 10 0 EGAELP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121808432 152372280 /nfs/dbraw/zinc/37/22/80/152372280.db2.gz LXVUNOQMIULSEA-HXUWFJFHSA-N 2 2 326.488 3.181 10 0 EGAELP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121808432 152372283 /nfs/dbraw/zinc/37/22/83/152372283.db2.gz LXVUNOQMIULSEA-HXUWFJFHSA-N 2 2 326.488 3.181 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190221914 153123926 /nfs/dbraw/zinc/12/39/26/153123926.db2.gz IVXOLQQNFCQIDT-KRWDZBQOSA-N 2 2 333.476 3.016 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190221914 153123930 /nfs/dbraw/zinc/12/39/30/153123930.db2.gz IVXOLQQNFCQIDT-KRWDZBQOSA-N 2 2 333.476 3.016 10 0 EGAELP c1cc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)no2)cs1 ZINC000193079881 153276632 /nfs/dbraw/zinc/27/66/32/153276632.db2.gz WJSSWKRDHDWRQE-UHFFFAOYSA-N 2 2 332.473 3.106 10 0 EGAELP c1c[nH+]c([C@H](NC2CC[NH+](CC3CCCC3)CC2)c2cccnc2)[nH]1 ZINC000195012206 153371576 /nfs/dbraw/zinc/37/15/76/153371576.db2.gz YEYAVAHXBHGTEZ-LJQANCHMSA-N 2 2 339.487 3.138 10 0 EGAELP CCN(C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000310036403 154139846 /nfs/dbraw/zinc/13/98/46/154139846.db2.gz KIBRNYPLVUHSCY-UHFFFAOYSA-N 2 2 331.504 3.019 10 0 EGAELP CCN(C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000310036403 154139848 /nfs/dbraw/zinc/13/98/48/154139848.db2.gz KIBRNYPLVUHSCY-UHFFFAOYSA-N 2 2 331.504 3.019 10 0 EGAELP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416970 154343933 /nfs/dbraw/zinc/34/39/33/154343933.db2.gz ZWEJJSQXYQUNSB-BBWFWOEESA-N 2 2 334.508 3.148 10 0 EGAELP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416970 154343935 /nfs/dbraw/zinc/34/39/35/154343935.db2.gz ZWEJJSQXYQUNSB-BBWFWOEESA-N 2 2 334.508 3.148 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492079 154379823 /nfs/dbraw/zinc/37/98/23/154379823.db2.gz OPDFEAGAEZHYST-NVXWUHKLSA-N 2 2 333.476 3.131 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492079 154379831 /nfs/dbraw/zinc/37/98/31/154379831.db2.gz OPDFEAGAEZHYST-NVXWUHKLSA-N 2 2 333.476 3.131 10 0 EGAELP CCCC[C@@H](CC)CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000339415372 154842109 /nfs/dbraw/zinc/84/21/09/154842109.db2.gz RHCOUXONXSOTKT-MRXNPFEDSA-N 2 2 333.524 3.167 10 0 EGAELP Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112075230 162162119 /nfs/dbraw/zinc/16/21/19/162162119.db2.gz RJSURIIQEXKQOU-HNNXBMFYSA-N 2 2 325.460 3.381 10 0 EGAELP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000113254245 162207617 /nfs/dbraw/zinc/20/76/17/162207617.db2.gz DFINKRIBUZJKQK-QGZVFWFLSA-N 2 2 334.467 3.452 10 0 EGAELP CCCn1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000129247835 162350600 /nfs/dbraw/zinc/35/06/00/162350600.db2.gz OIHBWRGIIIXGRH-UHFFFAOYSA-N 2 2 341.503 3.427 10 0 EGAELP CCCn1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000129247835 162350606 /nfs/dbraw/zinc/35/06/06/162350606.db2.gz OIHBWRGIIIXGRH-UHFFFAOYSA-N 2 2 341.503 3.427 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248898047 163044483 /nfs/dbraw/zinc/04/44/83/163044483.db2.gz USLMLCNZDCOAQW-SFHVURJKSA-N 2 2 339.487 3.255 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248898047 163044484 /nfs/dbraw/zinc/04/44/84/163044484.db2.gz USLMLCNZDCOAQW-SFHVURJKSA-N 2 2 339.487 3.255 10 0 EGAELP c1ccc(C[N@H+]2C[C@H](CNc3cccc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000338748177 163337284 /nfs/dbraw/zinc/33/72/84/163337284.db2.gz HKCDYISYHXUJGD-IBGZPJMESA-N 2 2 337.467 3.422 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H](CNc3cccc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000338748177 163337287 /nfs/dbraw/zinc/33/72/87/163337287.db2.gz HKCDYISYHXUJGD-IBGZPJMESA-N 2 2 337.467 3.422 10 0 EGAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354806543 166037315 /nfs/dbraw/zinc/03/73/15/166037315.db2.gz LTPHTGLNGPYKCV-HOTGVXAUSA-N 2 2 348.535 3.265 10 0 EGAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354806543 166037317 /nfs/dbraw/zinc/03/73/17/166037317.db2.gz LTPHTGLNGPYKCV-HOTGVXAUSA-N 2 2 348.535 3.265 10 0 EGAELP C[C@@H](N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)C(F)(F)F ZINC000346163199 164354426 /nfs/dbraw/zinc/35/44/26/164354426.db2.gz FSZUPMFDEFQKHJ-GFCCVEGCSA-N 2 2 344.406 3.002 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000346312717 164367242 /nfs/dbraw/zinc/36/72/42/164367242.db2.gz GSLLDUOHNWSBIL-GOSISDBHSA-N 2 2 339.464 3.377 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000346312717 164367243 /nfs/dbraw/zinc/36/72/43/164367243.db2.gz GSLLDUOHNWSBIL-GOSISDBHSA-N 2 2 339.464 3.377 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@@H+]1C ZINC000346314565 164367877 /nfs/dbraw/zinc/36/78/77/164367877.db2.gz RTDVGVVRGXWRQT-WBVHZDCISA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@H+]1C ZINC000346314565 164367879 /nfs/dbraw/zinc/36/78/79/164367879.db2.gz RTDVGVVRGXWRQT-WBVHZDCISA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314565 164367880 /nfs/dbraw/zinc/36/78/80/164367880.db2.gz RTDVGVVRGXWRQT-WBVHZDCISA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314565 164367882 /nfs/dbraw/zinc/36/78/82/164367882.db2.gz RTDVGVVRGXWRQT-WBVHZDCISA-N 2 2 326.444 3.183 10 0 EGAELP C[C@@H](c1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182559828 287143953 /nfs/dbraw/zinc/14/39/53/287143953.db2.gz AVRRPZYSVXDNNB-LATSOQNDSA-N 2 2 331.479 3.130 10 0 EGAELP C[C@@H](c1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182559828 287143954 /nfs/dbraw/zinc/14/39/54/287143954.db2.gz AVRRPZYSVXDNNB-LATSOQNDSA-N 2 2 331.479 3.130 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000355656320 166274991 /nfs/dbraw/zinc/27/49/91/166274991.db2.gz VETLIIOSBCPVNV-UHFFFAOYSA-N 2 2 344.484 3.136 10 0 EGAELP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229822 167102498 /nfs/dbraw/zinc/10/24/98/167102498.db2.gz RNMQUKZXDFLNIW-VQIMIIECSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229822 167102501 /nfs/dbraw/zinc/10/25/01/167102501.db2.gz RNMQUKZXDFLNIW-VQIMIIECSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000359229822 167102504 /nfs/dbraw/zinc/10/25/04/167102504.db2.gz RNMQUKZXDFLNIW-VQIMIIECSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000359229822 167102505 /nfs/dbraw/zinc/10/25/05/167102505.db2.gz RNMQUKZXDFLNIW-VQIMIIECSA-N 2 2 329.488 3.156 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433607 167327391 /nfs/dbraw/zinc/32/73/91/167327391.db2.gz MEXFRRLGBCZCMO-TWOQFEAHSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433607 167327392 /nfs/dbraw/zinc/32/73/92/167327392.db2.gz MEXFRRLGBCZCMO-TWOQFEAHSA-N 2 2 325.456 3.261 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000368030421 168300345 /nfs/dbraw/zinc/30/03/45/168300345.db2.gz NPSXWWVBZWLGLW-MRXNPFEDSA-N 2 2 331.410 3.469 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CCc2ccccc2)nc[nH+]1 ZINC000174284776 265040016 /nfs/dbraw/zinc/04/00/16/265040016.db2.gz SVODJPPNEYHDLK-SJLPKXTDSA-N 2 2 339.487 3.098 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739559 274344188 /nfs/dbraw/zinc/34/41/88/274344188.db2.gz BPNHIWAJDHIMLC-QFIXIFRTSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739559 274344189 /nfs/dbraw/zinc/34/41/89/274344189.db2.gz BPNHIWAJDHIMLC-QFIXIFRTSA-N 2 2 336.483 3.322 10 0 EGAELP c1cc2c(cccc2CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000282868327 275678388 /nfs/dbraw/zinc/67/83/88/275678388.db2.gz VBXXDPGXGGRBDT-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000414120107 309062216 /nfs/dbraw/zinc/06/22/16/309062216.db2.gz AOZGYCNYTGGSIJ-HNNXBMFYSA-N 2 2 325.334 3.138 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000414125114 309062438 /nfs/dbraw/zinc/06/24/38/309062438.db2.gz MCQGBJQLCHMIEK-MRXNPFEDSA-N 2 2 334.261 3.466 10 0 EGAELP Cc1cc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)sc1Br ZINC000414126683 309062547 /nfs/dbraw/zinc/06/25/47/309062547.db2.gz ORGWWFZFJVDEKM-SNVBAGLBSA-N 2 2 328.279 3.446 10 0 EGAELP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000414130746 309062664 /nfs/dbraw/zinc/06/26/64/309062664.db2.gz XXYKUTIPOZHKNR-SJLPKXTDSA-N 2 2 331.435 3.426 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162652 309064101 /nfs/dbraw/zinc/06/41/01/309064101.db2.gz DOLRJEQAFMVVNI-DYESRHJHSA-N 3 2 334.467 3.335 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162652 309064102 /nfs/dbraw/zinc/06/41/02/309064102.db2.gz DOLRJEQAFMVVNI-DYESRHJHSA-N 3 2 334.467 3.335 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829561 309104187 /nfs/dbraw/zinc/10/41/87/309104187.db2.gz KYYRXHIVMMYDGZ-HNNXBMFYSA-N 2 2 335.245 3.247 10 0 EGAELP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829867 309104221 /nfs/dbraw/zinc/10/42/21/309104221.db2.gz LGVUOUPRRZBVFJ-CQSZACIVSA-N 2 2 348.372 3.382 10 0 EGAELP Cc1ccc2[nH+]ccc(N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)c2c1 ZINC000302169158 308731872 /nfs/dbraw/zinc/73/18/72/308731872.db2.gz TVRZAXLRVGLHAY-CQSZACIVSA-N 2 2 326.469 3.157 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852239 309105656 /nfs/dbraw/zinc/10/56/56/309105656.db2.gz VUVBNURKUJUJPY-NRFANRHFSA-N 3 2 349.482 3.489 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[NH2+]C2)o1 ZINC000414871475 309106546 /nfs/dbraw/zinc/10/65/46/309106546.db2.gz UWNZJAZUILUUBR-KRWDZBQOSA-N 2 2 336.439 3.282 10 0 EGAELP Clc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053750 309116826 /nfs/dbraw/zinc/11/68/26/309116826.db2.gz PBQDDQUWIAQVFC-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053750 309116827 /nfs/dbraw/zinc/11/68/27/309116827.db2.gz PBQDDQUWIAQVFC-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000415071122 309118245 /nfs/dbraw/zinc/11/82/45/309118245.db2.gz SGNJBWDLXLGWDX-AWEZNQCLSA-N 2 2 326.868 3.369 10 0 EGAELP Cc1cccc2c1C[NH2+]CCN2Cc1[nH+]ccn1Cc1ccccc1 ZINC000415095662 309119968 /nfs/dbraw/zinc/11/99/68/309119968.db2.gz CEHMPMAOQNTFGR-UHFFFAOYSA-N 2 2 332.451 3.350 10 0 EGAELP CCn1nncc1C[NH2+]CC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000417932519 309228717 /nfs/dbraw/zinc/22/87/17/309228717.db2.gz WNYOCQQXBJXUFQ-INIZCTEOSA-N 2 2 329.492 3.297 10 0 EGAELP C[NH2+][C@@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000420171706 309276577 /nfs/dbraw/zinc/27/65/77/309276577.db2.gz SFHDNEBLKLAZOG-LLVKDONJSA-N 2 2 325.334 3.240 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000420371674 309284905 /nfs/dbraw/zinc/28/49/05/309284905.db2.gz KWMZYBLYAKTXNE-QUCCMNQESA-N 2 2 332.488 3.019 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000420371674 309284906 /nfs/dbraw/zinc/28/49/06/309284906.db2.gz KWMZYBLYAKTXNE-QUCCMNQESA-N 2 2 332.488 3.019 10 0 EGAELP Cc1c(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nn1C ZINC000421326324 309318598 /nfs/dbraw/zinc/31/85/98/309318598.db2.gz NKNAGAUTCURRBO-KRWDZBQOSA-N 2 2 346.906 3.036 10 0 EGAELP Cc1c(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nn1C ZINC000421326324 309318599 /nfs/dbraw/zinc/31/85/99/309318599.db2.gz NKNAGAUTCURRBO-KRWDZBQOSA-N 2 2 346.906 3.036 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)C(C)(C)C)CC2)CC1 ZINC000422014106 309351063 /nfs/dbraw/zinc/35/10/63/309351063.db2.gz GDIYKMHYMVZHCW-UHFFFAOYSA-N 2 2 337.552 3.077 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)C(C)(C)C)CC2)CC1 ZINC000422014106 309351064 /nfs/dbraw/zinc/35/10/64/309351064.db2.gz GDIYKMHYMVZHCW-UHFFFAOYSA-N 2 2 337.552 3.077 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3CC(C(C)(C)C)C3)CC2)CC1 ZINC000422026126 309351746 /nfs/dbraw/zinc/35/17/46/309351746.db2.gz UEHGVNPWMQULAC-UHFFFAOYSA-N 2 2 349.563 3.077 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3CC(C(C)(C)C)C3)CC2)CC1 ZINC000422026126 309351747 /nfs/dbraw/zinc/35/17/47/309351747.db2.gz UEHGVNPWMQULAC-UHFFFAOYSA-N 2 2 349.563 3.077 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1c[nH+]ccc1N ZINC000422714070 309364536 /nfs/dbraw/zinc/36/45/36/309364536.db2.gz QOOXOIQTTPJLAQ-CQSZACIVSA-N 2 2 338.455 3.474 10 0 EGAELP COc1cccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)cc2)c1 ZINC000422794299 309368638 /nfs/dbraw/zinc/36/86/38/309368638.db2.gz UBXBJJKNXMWKTM-OXJNMPFZSA-N 2 2 340.467 3.219 10 0 EGAELP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000422795814 309368897 /nfs/dbraw/zinc/36/88/97/309368897.db2.gz IDMOXWLNQSJOEY-NLPFYKDJSA-N 3 2 333.520 3.185 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H]2Cc3ccccc3O2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422805192 309369399 /nfs/dbraw/zinc/36/93/99/309369399.db2.gz IRWYESQNSOKMGH-DYXWJJEUSA-N 2 2 338.451 3.082 10 0 EGAELP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900637 309375107 /nfs/dbraw/zinc/37/51/07/309375107.db2.gz AQFWBZJWBUHOAU-KKURMSBHSA-N 3 2 327.516 3.432 10 0 EGAELP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422900637 309375108 /nfs/dbraw/zinc/37/51/08/309375108.db2.gz AQFWBZJWBUHOAU-KKURMSBHSA-N 3 2 327.516 3.432 10 0 EGAELP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1c[nH+]ccc1N ZINC000422935230 309377062 /nfs/dbraw/zinc/37/70/62/309377062.db2.gz DJVDSCNMNHMADJ-AWEZNQCLSA-N 2 2 333.439 3.019 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccc(F)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422941533 309377374 /nfs/dbraw/zinc/37/73/74/309377374.db2.gz OVRBFDCJBKMONW-WOJBJXKFSA-N 2 2 344.430 3.296 10 0 EGAELP CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422990945 309379824 /nfs/dbraw/zinc/37/98/24/309379824.db2.gz OUEBETWNVZYNQD-YZDRJCRTSA-N 2 2 328.500 3.244 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097254 309385790 /nfs/dbraw/zinc/38/57/90/309385790.db2.gz QNUXHOLUCBBHMP-SDRHGIJQSA-N 2 2 326.843 3.024 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ncccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423160570 309388829 /nfs/dbraw/zinc/38/88/29/309388829.db2.gz ZSRHWZGCGXDDAZ-VQTJNVASSA-N 2 2 325.456 3.024 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423189607 309389756 /nfs/dbraw/zinc/38/97/56/309389756.db2.gz MXKSVRZZMBQPIL-OCCSQVGLSA-N 2 2 325.250 3.004 10 0 EGAELP CSc1ccccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231523 309391634 /nfs/dbraw/zinc/39/16/34/309391634.db2.gz LLSSEQYILPJSRS-AWEZNQCLSA-N 2 2 328.485 3.386 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000423237489 309391922 /nfs/dbraw/zinc/39/19/22/309391922.db2.gz UCCXQJGUINBEQL-CYBMUJFWSA-N 2 2 348.397 3.266 10 0 EGAELP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423308476 309394708 /nfs/dbraw/zinc/39/47/08/309394708.db2.gz JNBPPILKQKQYNN-CQSZACIVSA-N 2 2 327.266 3.252 10 0 EGAELP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423352764 309396550 /nfs/dbraw/zinc/39/65/50/309396550.db2.gz BOOZBWHKBNAOPJ-UHFFFAOYSA-N 3 2 335.495 3.087 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423353974 309396552 /nfs/dbraw/zinc/39/65/52/309396552.db2.gz CISAZSFVAPETSN-DFKRKDTASA-N 2 2 327.241 3.163 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000423376804 309397830 /nfs/dbraw/zinc/39/78/30/309397830.db2.gz YPZBKSOOCUBZRJ-FHSNZYRGSA-N 2 2 332.879 3.483 10 0 EGAELP CS[C@@H]1CC[C@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000425353892 309475567 /nfs/dbraw/zinc/47/55/67/309475567.db2.gz NKXKMGZHOIDXQZ-KBAYOESNSA-N 2 2 334.529 3.370 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000441384698 309870527 /nfs/dbraw/zinc/87/05/27/309870527.db2.gz NBLRFPVPSYSRGB-AEFFLSMTSA-N 2 2 342.487 3.134 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449185106 310043088 /nfs/dbraw/zinc/04/30/88/310043088.db2.gz GAFIDINVDOGXFI-OWYVNGRQSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449185106 310043089 /nfs/dbraw/zinc/04/30/89/310043089.db2.gz GAFIDINVDOGXFI-OWYVNGRQSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391842 310058165 /nfs/dbraw/zinc/05/81/65/310058165.db2.gz IMYYRUWOPUOSJX-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391842 310058166 /nfs/dbraw/zinc/05/81/66/310058166.db2.gz IMYYRUWOPUOSJX-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449515242 310068609 /nfs/dbraw/zinc/06/86/09/310068609.db2.gz YOWHEJXDCOHBST-OWYHZJEWSA-N 2 2 330.472 3.143 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449515242 310068610 /nfs/dbraw/zinc/06/86/10/310068610.db2.gz YOWHEJXDCOHBST-OWYHZJEWSA-N 2 2 330.472 3.143 10 0 EGAELP CCc1ncc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)o1 ZINC000449612380 310075301 /nfs/dbraw/zinc/07/53/01/310075301.db2.gz LSVDCZJOVMPDJV-INIZCTEOSA-N 2 2 327.472 3.422 10 0 EGAELP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000450686703 310137196 /nfs/dbraw/zinc/13/71/96/310137196.db2.gz DADWXSQTKIRTFB-KRWDZBQOSA-N 2 2 335.455 3.050 10 0 EGAELP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000450686703 310137197 /nfs/dbraw/zinc/13/71/97/310137197.db2.gz DADWXSQTKIRTFB-KRWDZBQOSA-N 2 2 335.455 3.050 10 0 EGAELP COC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075856 310210543 /nfs/dbraw/zinc/21/05/43/310210543.db2.gz BFKBHESUZUDYLZ-SFTDATJTSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075856 310210544 /nfs/dbraw/zinc/21/05/44/310210544.db2.gz BFKBHESUZUDYLZ-SFTDATJTSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075856 310210545 /nfs/dbraw/zinc/21/05/45/310210545.db2.gz BFKBHESUZUDYLZ-SFTDATJTSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075856 310210546 /nfs/dbraw/zinc/21/05/46/310210546.db2.gz BFKBHESUZUDYLZ-SFTDATJTSA-N 2 2 346.515 3.026 10 0 EGAELP CCc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000452117898 310213301 /nfs/dbraw/zinc/21/33/01/310213301.db2.gz OMWTWVNQUPMFHB-UHFFFAOYSA-N 2 2 329.410 3.493 10 0 EGAELP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000452117898 310213302 /nfs/dbraw/zinc/21/33/02/310213302.db2.gz OMWTWVNQUPMFHB-UHFFFAOYSA-N 2 2 329.410 3.493 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2sccc21 ZINC000453080545 310256619 /nfs/dbraw/zinc/25/66/19/310256619.db2.gz BEEAQINNPVEDLQ-HYVNUMGLSA-N 2 2 349.544 3.219 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2sccc21 ZINC000453080545 310256620 /nfs/dbraw/zinc/25/66/20/310256620.db2.gz BEEAQINNPVEDLQ-HYVNUMGLSA-N 2 2 349.544 3.219 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255240 310267121 /nfs/dbraw/zinc/26/71/21/310267121.db2.gz FJHLIUWUNAHKJE-LEWJYISDSA-N 2 2 342.458 3.352 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255240 310267122 /nfs/dbraw/zinc/26/71/22/310267122.db2.gz FJHLIUWUNAHKJE-LEWJYISDSA-N 2 2 342.458 3.352 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263477 310267854 /nfs/dbraw/zinc/26/78/54/310267854.db2.gz LTHDKECOQHBKQW-WBVHZDCISA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263477 310267855 /nfs/dbraw/zinc/26/78/55/310267855.db2.gz LTHDKECOQHBKQW-WBVHZDCISA-N 2 2 342.430 3.176 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265712 310268011 /nfs/dbraw/zinc/26/80/11/310268011.db2.gz NSHLDFZZGLESQW-UWJYYQICSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265712 310268012 /nfs/dbraw/zinc/26/80/12/310268012.db2.gz NSHLDFZZGLESQW-UWJYYQICSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265710 310268089 /nfs/dbraw/zinc/26/80/89/310268089.db2.gz NSHLDFZZGLESQW-LAUBAEHRSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265710 310268090 /nfs/dbraw/zinc/26/80/90/310268090.db2.gz NSHLDFZZGLESQW-LAUBAEHRSA-N 2 2 339.483 3.246 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453346240 310272284 /nfs/dbraw/zinc/27/22/84/310272284.db2.gz BAVDSUHBZZHNCE-WMZOPIPTSA-N 2 2 325.456 3.090 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453346240 310272285 /nfs/dbraw/zinc/27/22/85/310272285.db2.gz BAVDSUHBZZHNCE-WMZOPIPTSA-N 2 2 325.456 3.090 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467356211 310673319 /nfs/dbraw/zinc/67/33/19/310673319.db2.gz UHYYZMUOONVXDO-BURNTYAHSA-N 2 2 330.516 3.344 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058160 311162185 /nfs/dbraw/zinc/16/21/85/311162185.db2.gz NVTPRIFREAJBQG-FHWLQOOXSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058160 311162187 /nfs/dbraw/zinc/16/21/87/311162187.db2.gz NVTPRIFREAJBQG-FHWLQOOXSA-N 2 2 337.552 3.268 10 0 EGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(-c2ccccc2)nn1C ZINC000515778583 312297785 /nfs/dbraw/zinc/29/77/85/312297785.db2.gz WPKXPTHNZJYAOS-HNNXBMFYSA-N 2 2 335.455 3.471 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527904 313344154 /nfs/dbraw/zinc/34/41/54/313344154.db2.gz GRCGXBSQCRPTBE-PBHICJAKSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527904 313344157 /nfs/dbraw/zinc/34/41/57/313344157.db2.gz GRCGXBSQCRPTBE-PBHICJAKSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527904 313344158 /nfs/dbraw/zinc/34/41/58/313344158.db2.gz GRCGXBSQCRPTBE-PBHICJAKSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527904 313344162 /nfs/dbraw/zinc/34/41/62/313344162.db2.gz GRCGXBSQCRPTBE-PBHICJAKSA-N 2 2 338.467 3.395 10 0 EGAELP c1cn(CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000548817892 315051609 /nfs/dbraw/zinc/05/16/09/315051609.db2.gz OUUBRVATTGDOQE-MZADTFQBSA-N 3 2 338.499 3.449 10 0 EGAELP c1cn(CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000548817892 315051613 /nfs/dbraw/zinc/05/16/13/315051613.db2.gz OUUBRVATTGDOQE-MZADTFQBSA-N 3 2 338.499 3.449 10 0 EGAELP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)c(F)c1 ZINC000564434007 316151683 /nfs/dbraw/zinc/15/16/83/316151683.db2.gz LOSZJTFRNWULAM-LIRRHRJNSA-N 2 2 340.377 3.319 10 0 EGAELP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000564434007 316151685 /nfs/dbraw/zinc/15/16/85/316151685.db2.gz LOSZJTFRNWULAM-LIRRHRJNSA-N 2 2 340.377 3.319 10 0 EGAELP Cn1cc([C@H]([NH2+]CC2([NH3+])CCCCCC2)c2cccc(F)c2)cn1 ZINC000564822910 316212236 /nfs/dbraw/zinc/21/22/36/316212236.db2.gz USUJHAWVXLRYPQ-GOSISDBHSA-N 2 2 330.451 3.290 10 0 EGAELP Cc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000564973451 316240501 /nfs/dbraw/zinc/24/05/01/316240501.db2.gz CLSWNTAYVDKOJP-CQSZACIVSA-N 2 2 329.307 3.395 10 0 EGAELP Cc1cc(Br)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000564973451 316240504 /nfs/dbraw/zinc/24/05/04/316240504.db2.gz CLSWNTAYVDKOJP-CQSZACIVSA-N 2 2 329.307 3.395 10 0 EGAELP C[C@@H](c1ccccc1Cl)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000571057751 317145886 /nfs/dbraw/zinc/14/58/86/317145886.db2.gz FVUWCOFLIQELDJ-INIZCTEOSA-N 2 2 346.906 3.385 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCC1 ZINC000387491850 324272145 /nfs/dbraw/zinc/27/21/45/324272145.db2.gz WMGTVBIGCQIZHX-QRVBRYPASA-N 2 2 328.500 3.444 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCC1 ZINC000387491850 324272150 /nfs/dbraw/zinc/27/21/50/324272150.db2.gz WMGTVBIGCQIZHX-QRVBRYPASA-N 2 2 328.500 3.444 10 0 EGAELP Brc1ccc(-c2c[nH]c(C[NH2+]CCC[NH+]3CCC3)n2)cc1 ZINC000578765454 325015939 /nfs/dbraw/zinc/01/59/39/325015939.db2.gz BIUOIWVJBGPEJP-UHFFFAOYSA-N 2 2 349.276 3.025 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000578828389 325023461 /nfs/dbraw/zinc/02/34/61/325023461.db2.gz SSAWENBPLVVPQU-QGZVFWFLSA-N 2 2 326.444 3.290 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000578828389 325023466 /nfs/dbraw/zinc/02/34/66/325023466.db2.gz SSAWENBPLVVPQU-QGZVFWFLSA-N 2 2 326.444 3.290 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1C ZINC000581082578 325328800 /nfs/dbraw/zinc/32/88/00/325328800.db2.gz LBJZVVCJLJZLSH-DLBZAZTESA-N 2 2 336.842 3.056 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000581607858 325375761 /nfs/dbraw/zinc/37/57/61/325375761.db2.gz ZOGHYWNFIDTJKF-KRWDZBQOSA-N 2 2 326.831 3.046 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663385 455221310 /nfs/dbraw/zinc/22/13/10/455221310.db2.gz SDTKGBQJUPHXEB-ULQDDVLXSA-N 2 2 340.471 3.312 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000600706058 460574202 /nfs/dbraw/zinc/57/42/02/460574202.db2.gz CHFZTXRDHODDKM-LEWSCRJBSA-N 2 2 344.240 3.082 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887357 460589550 /nfs/dbraw/zinc/58/95/50/460589550.db2.gz QQJDZCVHGGPVJK-RXVVDRJESA-N 2 2 349.478 3.366 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887357 460589555 /nfs/dbraw/zinc/58/95/55/460589555.db2.gz QQJDZCVHGGPVJK-RXVVDRJESA-N 2 2 349.478 3.366 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000159301965 455368394 /nfs/dbraw/zinc/36/83/94/455368394.db2.gz HDFBLTGFJMVADG-CYBMUJFWSA-N 2 2 333.867 3.056 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2[nH+]1 ZINC000265742623 455373015 /nfs/dbraw/zinc/37/30/15/455373015.db2.gz WEFJGUHOJXAOFJ-QGZVFWFLSA-N 2 2 337.427 3.067 10 0 EGAELP CCn1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791382 455380026 /nfs/dbraw/zinc/38/00/26/455380026.db2.gz WDFDOGSSYYBKQI-PXNSSMCTSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791382 455380030 /nfs/dbraw/zinc/38/00/30/455380030.db2.gz WDFDOGSSYYBKQI-PXNSSMCTSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791382 455380035 /nfs/dbraw/zinc/38/00/35/455380035.db2.gz WDFDOGSSYYBKQI-PXNSSMCTSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791382 455380039 /nfs/dbraw/zinc/38/00/39/455380039.db2.gz WDFDOGSSYYBKQI-PXNSSMCTSA-N 2 2 326.488 3.388 10 0 EGAELP Cc1ccc([C@@](C)(O)C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000084047631 453965881 /nfs/dbraw/zinc/96/58/81/453965881.db2.gz BGYAWACEXLGJAB-IBGZPJMESA-N 2 2 325.412 3.079 10 0 EGAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435536 454195406 /nfs/dbraw/zinc/19/54/06/454195406.db2.gz WPYIELLRDDRARJ-DNVCBOLYSA-N 2 2 339.487 3.225 10 0 EGAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435536 454195411 /nfs/dbraw/zinc/19/54/11/454195411.db2.gz WPYIELLRDDRARJ-DNVCBOLYSA-N 2 2 339.487 3.225 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000095459788 454216429 /nfs/dbraw/zinc/21/64/29/454216429.db2.gz ZXVQCEUZHZBGQT-UHFFFAOYSA-N 2 2 327.447 3.360 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000095459788 454216431 /nfs/dbraw/zinc/21/64/31/454216431.db2.gz ZXVQCEUZHZBGQT-UHFFFAOYSA-N 2 2 327.447 3.360 10 0 EGAELP Brc1csc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000089884724 454226020 /nfs/dbraw/zinc/22/60/20/454226020.db2.gz GYIHDNZMZNHGAW-JTQLQIEISA-N 2 2 326.263 3.374 10 0 EGAELP Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078456049 454255440 /nfs/dbraw/zinc/25/54/40/454255440.db2.gz ZQCWXIXMMQFMNA-QGZVFWFLSA-N 2 2 325.460 3.158 10 0 EGAELP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078456049 454255444 /nfs/dbraw/zinc/25/54/44/454255444.db2.gz ZQCWXIXMMQFMNA-QGZVFWFLSA-N 2 2 325.460 3.158 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000246143756 455435680 /nfs/dbraw/zinc/43/56/80/455435680.db2.gz BKCMVFWNDZAFKZ-LZQZEXGQSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000246143756 455435685 /nfs/dbraw/zinc/43/56/85/455435685.db2.gz BKCMVFWNDZAFKZ-LZQZEXGQSA-N 2 2 330.497 3.066 10 0 EGAELP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000121209791 454405862 /nfs/dbraw/zinc/40/58/62/454405862.db2.gz SFOFQXONSSTHCP-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000121209791 454405866 /nfs/dbraw/zinc/40/58/66/454405866.db2.gz SFOFQXONSSTHCP-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP c1csc(-c2n[nH]cc2C[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000065594336 454599499 /nfs/dbraw/zinc/59/94/99/454599499.db2.gz OTLGUBKICPFKME-UHFFFAOYSA-N 2 2 327.457 3.003 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000105896556 454666505 /nfs/dbraw/zinc/66/65/05/454666505.db2.gz ZPNWLHGDUWAEAR-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000105896556 454666507 /nfs/dbraw/zinc/66/65/07/454666507.db2.gz ZPNWLHGDUWAEAR-QGZVFWFLSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000106212004 454686431 /nfs/dbraw/zinc/68/64/31/454686431.db2.gz GFQGAEAUDLMJQJ-INIZCTEOSA-N 2 2 327.428 3.054 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000106212004 454686433 /nfs/dbraw/zinc/68/64/33/454686433.db2.gz GFQGAEAUDLMJQJ-INIZCTEOSA-N 2 2 327.428 3.054 10 0 EGAELP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000124708130 454762447 /nfs/dbraw/zinc/76/24/47/454762447.db2.gz FRDRSAFUPTXOTG-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000124708130 454762449 /nfs/dbraw/zinc/76/24/49/454762449.db2.gz FRDRSAFUPTXOTG-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100176 454823313 /nfs/dbraw/zinc/82/33/13/454823313.db2.gz QDPKYHUQWTXMFD-CQSZACIVSA-N 2 2 329.835 3.088 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100176 454823317 /nfs/dbraw/zinc/82/33/17/454823317.db2.gz QDPKYHUQWTXMFD-CQSZACIVSA-N 2 2 329.835 3.088 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792272 454837355 /nfs/dbraw/zinc/83/73/55/454837355.db2.gz YMDNOHAGSJOWBG-UHFFFAOYSA-N 2 2 340.471 3.284 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCCC[NH+]2CCCC2)c1 ZINC000150893323 454908809 /nfs/dbraw/zinc/90/88/09/454908809.db2.gz XNNSMJJWBNNCFL-UHFFFAOYSA-N 2 2 341.459 3.085 10 0 EGAELP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114380539 454952239 /nfs/dbraw/zinc/95/22/39/454952239.db2.gz UYSBMPNTHHOLAL-AWEZNQCLSA-N 2 2 345.830 3.351 10 0 EGAELP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114380539 454952244 /nfs/dbraw/zinc/95/22/44/454952244.db2.gz UYSBMPNTHHOLAL-AWEZNQCLSA-N 2 2 345.830 3.351 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151279597 454962576 /nfs/dbraw/zinc/96/25/76/454962576.db2.gz LPCZHHNUHOURHO-ZFWWWQNUSA-N 2 2 326.481 3.045 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000151334133 454970709 /nfs/dbraw/zinc/97/07/09/454970709.db2.gz LEFGCRVTLABLEP-WBVHZDCISA-N 2 2 345.512 3.308 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747597 454971588 /nfs/dbraw/zinc/97/15/88/454971588.db2.gz IHZXGJADJQSGFM-MRXNPFEDSA-N 2 2 341.434 3.365 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(O)c1 ZINC000178757833 454974243 /nfs/dbraw/zinc/97/42/43/454974243.db2.gz MWGWLUDBIFLJLN-FTRWYGJKSA-N 2 2 325.456 3.348 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(O)c1 ZINC000178757833 454974249 /nfs/dbraw/zinc/97/42/49/454974249.db2.gz MWGWLUDBIFLJLN-FTRWYGJKSA-N 2 2 325.456 3.348 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000179655734 455064272 /nfs/dbraw/zinc/06/42/72/455064272.db2.gz MIZFYZTVBXXGJY-SFHVURJKSA-N 2 2 326.488 3.278 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000179655734 455064276 /nfs/dbraw/zinc/06/42/76/455064276.db2.gz MIZFYZTVBXXGJY-SFHVURJKSA-N 2 2 326.488 3.278 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438213 455119949 /nfs/dbraw/zinc/11/99/49/455119949.db2.gz DFOOBDVBCXADJF-OKZBNKHCSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438213 455119951 /nfs/dbraw/zinc/11/99/51/455119951.db2.gz DFOOBDVBCXADJF-OKZBNKHCSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152438213 455119955 /nfs/dbraw/zinc/11/99/55/455119955.db2.gz DFOOBDVBCXADJF-OKZBNKHCSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152438213 455119958 /nfs/dbraw/zinc/11/99/58/455119958.db2.gz DFOOBDVBCXADJF-OKZBNKHCSA-N 2 2 343.515 3.016 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000180127902 455135861 /nfs/dbraw/zinc/13/58/61/455135861.db2.gz DOQWHYANWLJJQZ-SFHVURJKSA-N 2 2 339.418 3.385 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000180127902 455135865 /nfs/dbraw/zinc/13/58/65/455135865.db2.gz DOQWHYANWLJJQZ-SFHVURJKSA-N 2 2 339.418 3.385 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189456812 455200399 /nfs/dbraw/zinc/20/03/99/455200399.db2.gz OLBTZYCOXXDJTH-LJQANCHMSA-N 2 2 343.515 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000180614127 455209091 /nfs/dbraw/zinc/20/90/91/455209091.db2.gz WVYFZXGYJVVRRO-OAHLLOKOSA-N 2 2 341.484 3.443 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000180614127 455209096 /nfs/dbraw/zinc/20/90/96/455209096.db2.gz WVYFZXGYJVVRRO-OAHLLOKOSA-N 2 2 341.484 3.443 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515674 455309921 /nfs/dbraw/zinc/30/99/21/455309921.db2.gz OAOXNZZUPLSACX-YJBOKZPZSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515674 455309923 /nfs/dbraw/zinc/30/99/23/455309923.db2.gz OAOXNZZUPLSACX-YJBOKZPZSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515674 455309927 /nfs/dbraw/zinc/30/99/27/455309927.db2.gz OAOXNZZUPLSACX-YJBOKZPZSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515674 455309930 /nfs/dbraw/zinc/30/99/30/455309930.db2.gz OAOXNZZUPLSACX-YJBOKZPZSA-N 2 2 329.419 3.397 10 0 EGAELP CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183690116 455321242 /nfs/dbraw/zinc/32/12/42/455321242.db2.gz GKEAPVZAMKGNEU-AWEZNQCLSA-N 2 2 338.459 3.341 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190483306 455329138 /nfs/dbraw/zinc/32/91/38/455329138.db2.gz ZGIAGMUHQMNNQI-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190483306 455329140 /nfs/dbraw/zinc/32/91/40/455329140.db2.gz ZGIAGMUHQMNNQI-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190483306 455329145 /nfs/dbraw/zinc/32/91/45/455329145.db2.gz ZGIAGMUHQMNNQI-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190483306 455329150 /nfs/dbraw/zinc/32/91/50/455329150.db2.gz ZGIAGMUHQMNNQI-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP Cc1cccn2c(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)c[nH+]c12 ZINC000174251194 455374093 /nfs/dbraw/zinc/37/40/93/455374093.db2.gz OZXPISUAJIAKII-UHFFFAOYSA-N 2 2 348.450 3.037 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009360 455414800 /nfs/dbraw/zinc/41/48/00/455414800.db2.gz LONHLQTYEODROP-DYVFJYSZSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009360 455414804 /nfs/dbraw/zinc/41/48/04/455414804.db2.gz LONHLQTYEODROP-DYVFJYSZSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009360 455414807 /nfs/dbraw/zinc/41/48/07/455414807.db2.gz LONHLQTYEODROP-DYVFJYSZSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009360 455414810 /nfs/dbraw/zinc/41/48/10/455414810.db2.gz LONHLQTYEODROP-DYVFJYSZSA-N 2 2 338.879 3.289 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000246173959 455441781 /nfs/dbraw/zinc/44/17/81/455441781.db2.gz VNCSVFYYUBWTNR-FXAWDEMLSA-N 2 2 337.471 3.228 10 0 EGAELP CCCn1c(C)cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000266765146 455449922 /nfs/dbraw/zinc/44/99/22/455449922.db2.gz RCQGWHXCECWJQX-UHFFFAOYSA-N 2 2 328.460 3.300 10 0 EGAELP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000246328787 455472320 /nfs/dbraw/zinc/47/23/20/455472320.db2.gz LACGCYKYHFKBRA-PKOBYXMFSA-N 2 2 349.482 3.300 10 0 EGAELP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000246328787 455472324 /nfs/dbraw/zinc/47/23/24/455472324.db2.gz LACGCYKYHFKBRA-PKOBYXMFSA-N 2 2 349.482 3.300 10 0 EGAELP COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000182444581 455515357 /nfs/dbraw/zinc/51/53/57/455515357.db2.gz DDZZFQDZHGPUSJ-QWHCGFSZSA-N 2 2 341.415 3.122 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279249 455583038 /nfs/dbraw/zinc/58/30/38/455583038.db2.gz XEVFZPFNPXCSKM-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279249 455583039 /nfs/dbraw/zinc/58/30/39/455583039.db2.gz XEVFZPFNPXCSKM-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279249 455583043 /nfs/dbraw/zinc/58/30/43/455583043.db2.gz XEVFZPFNPXCSKM-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279249 455583045 /nfs/dbraw/zinc/58/30/45/455583045.db2.gz XEVFZPFNPXCSKM-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000247292248 455584531 /nfs/dbraw/zinc/58/45/31/455584531.db2.gz HELJFRVZOUUUFE-WTNAPCKOSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000247292248 455584540 /nfs/dbraw/zinc/58/45/40/455584540.db2.gz HELJFRVZOUUUFE-WTNAPCKOSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000247292248 455584543 /nfs/dbraw/zinc/58/45/43/455584543.db2.gz HELJFRVZOUUUFE-WTNAPCKOSA-N 2 2 336.479 3.099 10 0 EGAELP Cc1ccc2c(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000247785249 455646081 /nfs/dbraw/zinc/64/60/81/455646081.db2.gz YGKZHAITIBYTMA-QAPCUYQASA-N 2 2 337.423 3.381 10 0 EGAELP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000247785249 455646085 /nfs/dbraw/zinc/64/60/85/455646085.db2.gz YGKZHAITIBYTMA-QAPCUYQASA-N 2 2 337.423 3.381 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119479 455683101 /nfs/dbraw/zinc/68/31/01/455683101.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119479 455683112 /nfs/dbraw/zinc/68/31/12/455683112.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248119479 455683119 /nfs/dbraw/zinc/68/31/19/455683119.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248119479 455683125 /nfs/dbraw/zinc/68/31/25/455683125.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 3 2 335.561 3.449 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248180327 455695431 /nfs/dbraw/zinc/69/54/31/455695431.db2.gz WIRLAGKRYFOECH-XGXHKWSGSA-N 2 2 331.504 3.085 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248180327 455695437 /nfs/dbraw/zinc/69/54/37/455695437.db2.gz WIRLAGKRYFOECH-XGXHKWSGSA-N 2 2 331.504 3.085 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179564 455695796 /nfs/dbraw/zinc/69/57/96/455695796.db2.gz WEBFWCSMOSKKQR-SUMWQHHRSA-N 2 2 336.863 3.123 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179564 455695798 /nfs/dbraw/zinc/69/57/98/455695798.db2.gz WEBFWCSMOSKKQR-SUMWQHHRSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179564 455695802 /nfs/dbraw/zinc/69/58/02/455695802.db2.gz WEBFWCSMOSKKQR-SUMWQHHRSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179564 455695807 /nfs/dbraw/zinc/69/58/07/455695807.db2.gz WEBFWCSMOSKKQR-SUMWQHHRSA-N 2 2 336.863 3.123 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000250113509 455785048 /nfs/dbraw/zinc/78/50/48/455785048.db2.gz TZASRVPUKUYNEF-HNAYVOBHSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000250113509 455785049 /nfs/dbraw/zinc/78/50/49/455785049.db2.gz TZASRVPUKUYNEF-HNAYVOBHSA-N 2 2 343.446 3.230 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285531812 455864751 /nfs/dbraw/zinc/86/47/51/455864751.db2.gz PFUNMKLUONUSQC-DFNIBXOVSA-N 2 2 343.515 3.307 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285531812 455864757 /nfs/dbraw/zinc/86/47/57/455864757.db2.gz PFUNMKLUONUSQC-DFNIBXOVSA-N 2 2 343.515 3.307 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285531812 455864762 /nfs/dbraw/zinc/86/47/62/455864762.db2.gz PFUNMKLUONUSQC-DFNIBXOVSA-N 2 2 343.515 3.307 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285531812 455864765 /nfs/dbraw/zinc/86/47/65/455864765.db2.gz PFUNMKLUONUSQC-DFNIBXOVSA-N 2 2 343.515 3.307 10 0 EGAELP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Cl)CCc1ccccc1 ZINC000261845699 455958468 /nfs/dbraw/zinc/95/84/68/455958468.db2.gz XEZCTGCKIUXLDM-UHFFFAOYSA-N 2 2 345.874 3.172 10 0 EGAELP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Cl)CCc1ccccc1 ZINC000261845699 455958474 /nfs/dbraw/zinc/95/84/74/455958474.db2.gz XEZCTGCKIUXLDM-UHFFFAOYSA-N 2 2 345.874 3.172 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3noc(C(C)(C)C)n3)C2)[nH+]1 ZINC000195516298 455976681 /nfs/dbraw/zinc/97/66/81/455976681.db2.gz BKINMIWAVIUXHC-AWEZNQCLSA-N 2 2 329.448 3.005 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3noc(C(C)(C)C)n3)C2)[nH+]1 ZINC000195516298 455976687 /nfs/dbraw/zinc/97/66/87/455976687.db2.gz BKINMIWAVIUXHC-AWEZNQCLSA-N 2 2 329.448 3.005 10 0 EGAELP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515954 455977345 /nfs/dbraw/zinc/97/73/45/455977345.db2.gz NNWTWLUURIPVHD-HUUCEWRRSA-N 2 2 329.448 3.302 10 0 EGAELP CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515954 455977350 /nfs/dbraw/zinc/97/73/50/455977350.db2.gz NNWTWLUURIPVHD-HUUCEWRRSA-N 2 2 329.448 3.302 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1cccs1 ZINC000261999506 455983882 /nfs/dbraw/zinc/98/38/82/455983882.db2.gz LFLDFSWEFZWVQU-UHFFFAOYSA-N 2 2 326.469 3.142 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1cccs1 ZINC000261999506 455983884 /nfs/dbraw/zinc/98/38/84/455983884.db2.gz LFLDFSWEFZWVQU-UHFFFAOYSA-N 2 2 326.469 3.142 10 0 EGAELP Cn1nc(C(F)(F)F)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1Cl ZINC000297605049 456261345 /nfs/dbraw/zinc/26/13/45/456261345.db2.gz UPLMDRUZWNYCER-UHFFFAOYSA-N 2 2 343.740 3.030 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000275415927 456273686 /nfs/dbraw/zinc/27/36/86/456273686.db2.gz DGXHGZDRCMMVKB-VQIMIIECSA-N 2 2 341.455 3.144 10 0 EGAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccccn1)CC2 ZINC000275599654 456276712 /nfs/dbraw/zinc/27/67/12/456276712.db2.gz IDAWSZYFDYAHBI-INIZCTEOSA-N 2 2 328.485 3.025 10 0 EGAELP CCc1noc(C)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282020269 456391959 /nfs/dbraw/zinc/39/19/59/456391959.db2.gz KGSYZZBSLBKCSF-HNNXBMFYSA-N 2 2 328.460 3.458 10 0 EGAELP CCc1noc(C)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282020269 456391965 /nfs/dbraw/zinc/39/19/65/456391965.db2.gz KGSYZZBSLBKCSF-HNNXBMFYSA-N 2 2 328.460 3.458 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282135322 456421356 /nfs/dbraw/zinc/42/13/56/456421356.db2.gz RQTCACZIZRUHSR-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282135322 456421363 /nfs/dbraw/zinc/42/13/63/456421363.db2.gz RQTCACZIZRUHSR-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP Nc1[nH+]cnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000302884512 456426713 /nfs/dbraw/zinc/42/67/13/456426713.db2.gz KIMSEEXXIMMXLR-AWEZNQCLSA-N 2 2 331.851 3.179 10 0 EGAELP Nc1[nH+]cnc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1Cl ZINC000302884512 456426717 /nfs/dbraw/zinc/42/67/17/456426717.db2.gz KIMSEEXXIMMXLR-AWEZNQCLSA-N 2 2 331.851 3.179 10 0 EGAELP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337779404 456540413 /nfs/dbraw/zinc/54/04/13/456540413.db2.gz AEUAIMHQAHRMAO-HXUWFJFHSA-N 2 2 339.483 3.486 10 0 EGAELP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337779404 456540418 /nfs/dbraw/zinc/54/04/18/456540418.db2.gz AEUAIMHQAHRMAO-HXUWFJFHSA-N 2 2 339.483 3.486 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203948 456557327 /nfs/dbraw/zinc/55/73/27/456557327.db2.gz CEYUEFWIJLWLMP-NHYWBVRUSA-N 2 2 336.277 3.013 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203948 456557334 /nfs/dbraw/zinc/55/73/34/456557334.db2.gz CEYUEFWIJLWLMP-NHYWBVRUSA-N 2 2 336.277 3.013 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccn1 ZINC000348302030 456606180 /nfs/dbraw/zinc/60/61/80/456606180.db2.gz LEGNTVCIYSQNKH-KGLIPLIRSA-N 2 2 335.411 3.150 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494669 456630432 /nfs/dbraw/zinc/63/04/32/456630432.db2.gz VPVHYTFVLMLSKZ-DZGCQCFKSA-N 2 2 338.879 3.321 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494669 456630437 /nfs/dbraw/zinc/63/04/37/456630437.db2.gz VPVHYTFVLMLSKZ-DZGCQCFKSA-N 2 2 338.879 3.321 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279760 456636612 /nfs/dbraw/zinc/63/66/12/456636612.db2.gz IHDHPYHPPOADNJ-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279760 456636618 /nfs/dbraw/zinc/63/66/18/456636618.db2.gz IHDHPYHPPOADNJ-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000343464941 456639876 /nfs/dbraw/zinc/63/98/76/456639876.db2.gz XJFDYCPLJKWKFP-KXBFYZLASA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000343464941 456639881 /nfs/dbraw/zinc/63/98/81/456639881.db2.gz XJFDYCPLJKWKFP-KXBFYZLASA-N 2 2 341.455 3.312 10 0 EGAELP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617022 456670769 /nfs/dbraw/zinc/67/07/69/456670769.db2.gz MQMRACDKEDRLLJ-DOTOQJQBSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617022 456670776 /nfs/dbraw/zinc/67/07/76/456670776.db2.gz MQMRACDKEDRLLJ-DOTOQJQBSA-N 2 2 329.419 3.445 10 0 EGAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cscn3)CC2)c[nH+]1 ZINC000328649299 456727976 /nfs/dbraw/zinc/72/79/76/456727976.db2.gz UXCWLNWCPLIOFR-AWEZNQCLSA-N 2 2 331.489 3.071 10 0 EGAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3cscn3)CC2)c[nH+]1 ZINC000328649299 456727985 /nfs/dbraw/zinc/72/79/85/456727985.db2.gz UXCWLNWCPLIOFR-AWEZNQCLSA-N 2 2 331.489 3.071 10 0 EGAELP CCc1cccc(F)c1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000353662139 456840318 /nfs/dbraw/zinc/84/03/18/456840318.db2.gz QXALJQAFUGSTSP-UHFFFAOYSA-N 2 2 329.419 3.114 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292086763 456851594 /nfs/dbraw/zinc/85/15/94/456851594.db2.gz GJEFVQVVXIIYSU-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292086763 456851598 /nfs/dbraw/zinc/85/15/98/456851598.db2.gz GJEFVQVVXIIYSU-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292086763 456851601 /nfs/dbraw/zinc/85/16/01/456851601.db2.gz GJEFVQVVXIIYSU-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292086763 456851605 /nfs/dbraw/zinc/85/16/05/456851605.db2.gz GJEFVQVVXIIYSU-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1OC ZINC000349360313 456951893 /nfs/dbraw/zinc/95/18/93/456951893.db2.gz ADMUFOKSIWJTDQ-UHFFFAOYSA-N 2 2 329.282 3.231 10 0 EGAELP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1OC ZINC000349360313 456951898 /nfs/dbraw/zinc/95/18/98/456951898.db2.gz ADMUFOKSIWJTDQ-UHFFFAOYSA-N 2 2 329.282 3.231 10 0 EGAELP CC(C)(CO)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000354077653 457047197 /nfs/dbraw/zinc/04/71/97/457047197.db2.gz GJGQPFNPTSELJL-QGZVFWFLSA-N 2 2 342.468 3.178 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)C2 ZINC000356704098 457125368 /nfs/dbraw/zinc/12/53/68/457125368.db2.gz STSUBHAJEWTOHX-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)CC2 ZINC000356704098 457125375 /nfs/dbraw/zinc/12/53/75/457125375.db2.gz STSUBHAJEWTOHX-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342160617 457142945 /nfs/dbraw/zinc/14/29/45/457142945.db2.gz DOVYDFKRHIEZQO-IBGZPJMESA-N 2 2 349.563 3.412 10 0 EGAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342160617 457142950 /nfs/dbraw/zinc/14/29/50/457142950.db2.gz DOVYDFKRHIEZQO-IBGZPJMESA-N 2 2 349.563 3.412 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728400 457199681 /nfs/dbraw/zinc/19/96/81/457199681.db2.gz INJYMOUETNDEDL-UXLLHSPISA-N 2 2 339.487 3.047 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728400 457199687 /nfs/dbraw/zinc/19/96/87/457199687.db2.gz INJYMOUETNDEDL-UXLLHSPISA-N 2 2 339.487 3.047 10 0 EGAELP CCN(CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)CC(F)(F)F ZINC000347285960 457331269 /nfs/dbraw/zinc/33/12/69/457331269.db2.gz NXPHVWAPXHVJRF-CVEARBPZSA-N 2 2 335.458 3.208 10 0 EGAELP CCN(CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)CC(F)(F)F ZINC000347285960 457331273 /nfs/dbraw/zinc/33/12/73/457331273.db2.gz NXPHVWAPXHVJRF-CVEARBPZSA-N 2 2 335.458 3.208 10 0 EGAELP CCN(CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)CC(F)(F)F ZINC000347285960 457331278 /nfs/dbraw/zinc/33/12/78/457331278.db2.gz NXPHVWAPXHVJRF-CVEARBPZSA-N 2 2 335.458 3.208 10 0 EGAELP CCN(CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)CC(F)(F)F ZINC000347285960 457331280 /nfs/dbraw/zinc/33/12/80/457331280.db2.gz NXPHVWAPXHVJRF-CVEARBPZSA-N 2 2 335.458 3.208 10 0 EGAELP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000342729928 457484127 /nfs/dbraw/zinc/48/41/27/457484127.db2.gz OEHFMBXJCXJRAC-UHFFFAOYSA-N 2 2 335.455 3.309 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425415303 457542024 /nfs/dbraw/zinc/54/20/24/457542024.db2.gz FALXYAHNONECKD-QGZVFWFLSA-N 2 2 347.466 3.332 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425415303 457542030 /nfs/dbraw/zinc/54/20/30/457542030.db2.gz FALXYAHNONECKD-QGZVFWFLSA-N 2 2 347.466 3.332 10 0 EGAELP COC(=O)c1sccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063370 457556588 /nfs/dbraw/zinc/55/65/88/457556588.db2.gz PTTYRNJMWZQDJI-UHFFFAOYSA-N 2 2 347.484 3.424 10 0 EGAELP COc1ncc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1Cl ZINC000370279807 457608900 /nfs/dbraw/zinc/60/89/00/457608900.db2.gz SEECDEHYLNZTHY-GFCCVEGCSA-N 2 2 343.818 3.175 10 0 EGAELP OCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000433058401 457655721 /nfs/dbraw/zinc/65/57/21/457655721.db2.gz PRPVFOCMNIZCHG-IBGZPJMESA-N 2 2 328.500 3.183 10 0 EGAELP OCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000433058401 457655729 /nfs/dbraw/zinc/65/57/29/457655729.db2.gz PRPVFOCMNIZCHG-IBGZPJMESA-N 2 2 328.500 3.183 10 0 EGAELP COc1cccc2c1CC[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C2 ZINC000425936624 457656083 /nfs/dbraw/zinc/65/60/83/457656083.db2.gz NLGSDJOWEZTAIH-WOJBJXKFSA-N 2 2 338.495 3.315 10 0 EGAELP CNC(=O)[C@@H]1CCCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361285078 457679182 /nfs/dbraw/zinc/67/91/82/457679182.db2.gz BPOZRYDGYBHZJD-IBGZPJMESA-N 2 2 342.487 3.116 10 0 EGAELP CNC(=O)[C@@H]1CCCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361285078 457679183 /nfs/dbraw/zinc/67/91/83/457679183.db2.gz BPOZRYDGYBHZJD-IBGZPJMESA-N 2 2 342.487 3.116 10 0 EGAELP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000370619807 457682794 /nfs/dbraw/zinc/68/27/94/457682794.db2.gz GIAQAKFCDWOGCQ-INIZCTEOSA-N 2 2 333.435 3.053 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000361377545 457710978 /nfs/dbraw/zinc/71/09/78/457710978.db2.gz IRRYKXYZVNSUMO-HNAYVOBHSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000361377545 457710981 /nfs/dbraw/zinc/71/09/81/457710981.db2.gz IRRYKXYZVNSUMO-HNAYVOBHSA-N 2 2 342.487 3.101 10 0 EGAELP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]2CCOC2)cc1 ZINC000357856192 457713891 /nfs/dbraw/zinc/71/38/91/457713891.db2.gz TUDMJPCQMIHQCE-WIYYLYMNSA-N 2 2 337.467 3.418 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000365265664 457734221 /nfs/dbraw/zinc/73/42/21/457734221.db2.gz JUFIUJMDZHQVBV-OAQYLSRUSA-N 2 2 333.435 3.104 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000361456088 457738078 /nfs/dbraw/zinc/73/80/78/457738078.db2.gz HWBQLHOYAHPWNN-ATZDWAIDSA-N 2 2 330.497 3.424 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000361456088 457738082 /nfs/dbraw/zinc/73/80/82/457738082.db2.gz HWBQLHOYAHPWNN-ATZDWAIDSA-N 2 2 330.497 3.424 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[N@@H+](C)C3CCCCC3)ccc2[nH+]1 ZINC000443573228 457781617 /nfs/dbraw/zinc/78/16/17/457781617.db2.gz VPZAUZIEUBUFAL-UHFFFAOYSA-N 2 2 329.448 3.029 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[N@H+](C)C3CCCCC3)ccc2[nH+]1 ZINC000443573228 457781619 /nfs/dbraw/zinc/78/16/19/457781619.db2.gz VPZAUZIEUBUFAL-UHFFFAOYSA-N 2 2 329.448 3.029 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000445811723 458093446 /nfs/dbraw/zinc/09/34/46/458093446.db2.gz TZNSDIWAQRPTBH-FXAWDEMLSA-N 2 2 335.455 3.211 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000445811723 458093448 /nfs/dbraw/zinc/09/34/48/458093448.db2.gz TZNSDIWAQRPTBH-FXAWDEMLSA-N 2 2 335.455 3.211 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932960 458130368 /nfs/dbraw/zinc/13/03/68/458130368.db2.gz PIHLPHZVSPCZPO-IAGOWNOFSA-N 2 2 335.879 3.249 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932960 458130372 /nfs/dbraw/zinc/13/03/72/458130372.db2.gz PIHLPHZVSPCZPO-IAGOWNOFSA-N 2 2 335.879 3.249 10 0 EGAELP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000446891159 458242249 /nfs/dbraw/zinc/24/22/49/458242249.db2.gz UUUHMVRFMVVYKQ-SFHVURJKSA-N 2 2 347.484 3.345 10 0 EGAELP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000446891159 458242256 /nfs/dbraw/zinc/24/22/56/458242256.db2.gz UUUHMVRFMVVYKQ-SFHVURJKSA-N 2 2 347.484 3.345 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006976 458254049 /nfs/dbraw/zinc/25/40/49/458254049.db2.gz IXECENGOQQLAGW-BEFAXECRSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006976 458254054 /nfs/dbraw/zinc/25/40/54/458254054.db2.gz IXECENGOQQLAGW-BEFAXECRSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429006976 458254057 /nfs/dbraw/zinc/25/40/57/458254057.db2.gz IXECENGOQQLAGW-BEFAXECRSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429006976 458254064 /nfs/dbraw/zinc/25/40/64/458254064.db2.gz IXECENGOQQLAGW-BEFAXECRSA-N 2 2 326.444 3.134 10 0 EGAELP CCNC(=O)C(C)(C)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000459598662 458424227 /nfs/dbraw/zinc/42/42/27/458424227.db2.gz PVQVKBJKILSNPR-UHFFFAOYSA-N 2 2 330.476 3.019 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495670 458443291 /nfs/dbraw/zinc/44/32/91/458443291.db2.gz CKHKMIZAKXNOLW-DYESRHJHSA-N 3 2 329.532 3.189 10 0 EGAELP FC(F)(F)COCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377116897 458467254 /nfs/dbraw/zinc/46/72/54/458467254.db2.gz UDHAHWLGRHLKQW-CQSZACIVSA-N 2 2 345.409 3.368 10 0 EGAELP FC(F)(F)COCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377116897 458467258 /nfs/dbraw/zinc/46/72/58/458467258.db2.gz UDHAHWLGRHLKQW-CQSZACIVSA-N 2 2 345.409 3.368 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487524 458507987 /nfs/dbraw/zinc/50/79/87/458507987.db2.gz WFYFYIMFFFBHKH-JEYLPNPQSA-N 2 2 344.425 3.057 10 0 EGAELP CC(C)n1nccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492201 458508970 /nfs/dbraw/zinc/50/89/70/458508970.db2.gz BVAQXZJUZDRIFS-UHFFFAOYSA-N 2 2 344.425 3.359 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431519947 458584600 /nfs/dbraw/zinc/58/46/00/458584600.db2.gz ABKTWHGSHFVJQE-QGZVFWFLSA-N 2 2 342.487 3.116 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431519947 458584605 /nfs/dbraw/zinc/58/46/05/458584605.db2.gz ABKTWHGSHFVJQE-QGZVFWFLSA-N 2 2 342.487 3.116 10 0 EGAELP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612348 458644236 /nfs/dbraw/zinc/64/42/36/458644236.db2.gz FRIJFSNVSVMVFO-CVEARBPZSA-N 2 2 341.499 3.498 10 0 EGAELP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612348 458644239 /nfs/dbraw/zinc/64/42/39/458644239.db2.gz FRIJFSNVSVMVFO-CVEARBPZSA-N 2 2 341.499 3.498 10 0 EGAELP c1cc(-c2ccccc2)sc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000530214943 458719900 /nfs/dbraw/zinc/71/99/00/458719900.db2.gz ZBORYQYVAJUSCG-MJGOQNOKSA-N 2 2 328.481 3.272 10 0 EGAELP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000495032535 458785624 /nfs/dbraw/zinc/78/56/24/458785624.db2.gz VSDWBQLXPFZOAV-SKDZVZGDSA-N 2 2 329.419 3.164 10 0 EGAELP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000495032535 458785630 /nfs/dbraw/zinc/78/56/30/458785630.db2.gz VSDWBQLXPFZOAV-SKDZVZGDSA-N 2 2 329.419 3.164 10 0 EGAELP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000519842881 459014494 /nfs/dbraw/zinc/01/44/94/459014494.db2.gz AAOIDBUDUBOGSM-CVEARBPZSA-N 2 2 330.476 3.123 10 0 EGAELP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000519842881 459014505 /nfs/dbraw/zinc/01/45/05/459014505.db2.gz AAOIDBUDUBOGSM-CVEARBPZSA-N 2 2 330.476 3.123 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840003 459019093 /nfs/dbraw/zinc/01/90/93/459019093.db2.gz KDRGVMRFQYFIFG-CRAIPNDOSA-N 2 2 345.397 3.186 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840003 459019099 /nfs/dbraw/zinc/01/90/99/459019099.db2.gz KDRGVMRFQYFIFG-CRAIPNDOSA-N 2 2 345.397 3.186 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1C[NH+](C)C)C2 ZINC000520684203 459084123 /nfs/dbraw/zinc/08/41/23/459084123.db2.gz VFHDPDSMWSJOGV-AWEZNQCLSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)CC2 ZINC000520684203 459084127 /nfs/dbraw/zinc/08/41/27/459084127.db2.gz VFHDPDSMWSJOGV-AWEZNQCLSA-N 2 2 340.471 3.338 10 0 EGAELP FC(F)(F)CO[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000578260102 459171542 /nfs/dbraw/zinc/17/15/42/459171542.db2.gz LFJACWRKSJBZMP-ZDUSSCGKSA-N 2 2 345.390 3.477 10 0 EGAELP FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000578260102 459171548 /nfs/dbraw/zinc/17/15/48/459171548.db2.gz LFJACWRKSJBZMP-ZDUSSCGKSA-N 2 2 345.390 3.477 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146127 459185453 /nfs/dbraw/zinc/18/54/53/459185453.db2.gz VWZPZRLPZWRYLC-QUCCMNQESA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146127 459185458 /nfs/dbraw/zinc/18/54/58/459185458.db2.gz VWZPZRLPZWRYLC-QUCCMNQESA-N 3 2 329.532 3.361 10 0 EGAELP CC1CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615845 459209510 /nfs/dbraw/zinc/20/95/10/459209510.db2.gz UANUXUCLEMEBHT-FPOVZHCZSA-N 2 2 329.532 3.219 10 0 EGAELP CC1CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615845 459209513 /nfs/dbraw/zinc/20/95/13/459209513.db2.gz UANUXUCLEMEBHT-FPOVZHCZSA-N 2 2 329.532 3.219 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000595005342 459212486 /nfs/dbraw/zinc/21/24/86/459212486.db2.gz XHRZGRFRZIXZNL-INIZCTEOSA-N 2 2 343.471 3.389 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595008481 459213991 /nfs/dbraw/zinc/21/39/91/459213991.db2.gz UITNVOYIAKRLPN-WMZOPIPTSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595008481 459213994 /nfs/dbraw/zinc/21/39/94/459213994.db2.gz UITNVOYIAKRLPN-WMZOPIPTSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000595010486 459214809 /nfs/dbraw/zinc/21/48/09/459214809.db2.gz WVBPAYHRRQADEN-IAGOWNOFSA-N 2 2 346.515 3.391 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000595010486 459214816 /nfs/dbraw/zinc/21/48/16/459214816.db2.gz WVBPAYHRRQADEN-IAGOWNOFSA-N 2 2 346.515 3.391 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000481048326 459230071 /nfs/dbraw/zinc/23/00/71/459230071.db2.gz LPCSAANOQABQKD-IOASZLSFSA-N 2 2 325.294 3.310 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000481048326 459230076 /nfs/dbraw/zinc/23/00/76/459230076.db2.gz LPCSAANOQABQKD-IOASZLSFSA-N 2 2 325.294 3.310 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255981 459300055 /nfs/dbraw/zinc/30/00/55/459300055.db2.gz GHNWIIBBROTUBP-PKOBYXMFSA-N 2 2 334.504 3.483 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255981 459300057 /nfs/dbraw/zinc/30/00/57/459300057.db2.gz GHNWIIBBROTUBP-PKOBYXMFSA-N 2 2 334.504 3.483 10 0 EGAELP c1cn(CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000582062053 459301166 /nfs/dbraw/zinc/30/11/66/459301166.db2.gz NKBKHZHDQGSSJS-HXUWFJFHSA-N 3 2 338.499 3.450 10 0 EGAELP c1cn(CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000582062053 459301171 /nfs/dbraw/zinc/30/11/71/459301171.db2.gz NKBKHZHDQGSSJS-HXUWFJFHSA-N 3 2 338.499 3.450 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081924 459309633 /nfs/dbraw/zinc/30/96/33/459309633.db2.gz BPYFNYCRBVBHJW-YJBOKZPZSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081924 459309635 /nfs/dbraw/zinc/30/96/35/459309635.db2.gz BPYFNYCRBVBHJW-YJBOKZPZSA-N 2 2 326.444 3.110 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)[nH]1 ZINC000534348375 459320362 /nfs/dbraw/zinc/32/03/62/459320362.db2.gz GZGLRXXOJNFWQU-IBGZPJMESA-N 2 2 341.455 3.347 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560514269 459363516 /nfs/dbraw/zinc/36/35/16/459363516.db2.gz VLGDLKQTFDMQPA-YPAWHYETSA-N 3 2 341.543 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560514269 459363518 /nfs/dbraw/zinc/36/35/18/459363518.db2.gz VLGDLKQTFDMQPA-YPAWHYETSA-N 3 2 341.543 3.422 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907641 459479311 /nfs/dbraw/zinc/47/93/11/459479311.db2.gz IFPYGWPATRKANM-MSOLQXFVSA-N 2 2 343.471 3.083 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907641 459479319 /nfs/dbraw/zinc/47/93/19/459479319.db2.gz IFPYGWPATRKANM-MSOLQXFVSA-N 2 2 343.471 3.083 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302903 459534412 /nfs/dbraw/zinc/53/44/12/459534412.db2.gz PJHXYRYZEYHRMV-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302903 459534416 /nfs/dbraw/zinc/53/44/16/459534416.db2.gz PJHXYRYZEYHRMV-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302903 459534422 /nfs/dbraw/zinc/53/44/22/459534422.db2.gz PJHXYRYZEYHRMV-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302903 459534426 /nfs/dbraw/zinc/53/44/26/459534426.db2.gz PJHXYRYZEYHRMV-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120617 459718740 /nfs/dbraw/zinc/71/87/40/459718740.db2.gz AJENZUFOUJCFGL-RLLQIKCJSA-N 2 2 339.527 3.398 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120617 459718746 /nfs/dbraw/zinc/71/87/46/459718746.db2.gz AJENZUFOUJCFGL-RLLQIKCJSA-N 2 2 339.527 3.398 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946994 459780122 /nfs/dbraw/zinc/78/01/22/459780122.db2.gz JJDOFZBSFOBHFB-FUHWJXTLSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946994 459780126 /nfs/dbraw/zinc/78/01/26/459780126.db2.gz JJDOFZBSFOBHFB-FUHWJXTLSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686844 459968641 /nfs/dbraw/zinc/96/86/41/459968641.db2.gz COOWREAQGNBYTJ-DNVCBOLYSA-N 2 2 332.875 3.484 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686844 459968645 /nfs/dbraw/zinc/96/86/45/459968645.db2.gz COOWREAQGNBYTJ-DNVCBOLYSA-N 2 2 332.875 3.484 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690496 459969910 /nfs/dbraw/zinc/96/99/10/459969910.db2.gz DOIXHMQULBIUQL-LEWJYISDSA-N 2 2 342.458 3.456 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690496 459969915 /nfs/dbraw/zinc/96/99/15/459969915.db2.gz DOIXHMQULBIUQL-LEWJYISDSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690496 459969921 /nfs/dbraw/zinc/96/99/21/459969921.db2.gz DOIXHMQULBIUQL-LEWJYISDSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690496 459969927 /nfs/dbraw/zinc/96/99/27/459969927.db2.gz DOIXHMQULBIUQL-LEWJYISDSA-N 2 2 342.458 3.456 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718264 460025470 /nfs/dbraw/zinc/02/54/70/460025470.db2.gz BKOAAESTKCDYPX-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718264 460025478 /nfs/dbraw/zinc/02/54/78/460025478.db2.gz BKOAAESTKCDYPX-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718264 460025485 /nfs/dbraw/zinc/02/54/85/460025485.db2.gz BKOAAESTKCDYPX-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718264 460025491 /nfs/dbraw/zinc/02/54/91/460025491.db2.gz BKOAAESTKCDYPX-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000625184441 460062600 /nfs/dbraw/zinc/06/26/00/460062600.db2.gz HKYVNGHDCVDMMN-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000625184441 460062604 /nfs/dbraw/zinc/06/26/04/460062604.db2.gz HKYVNGHDCVDMMN-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000598997412 460122216 /nfs/dbraw/zinc/12/22/16/460122216.db2.gz AJQZBJPCBKVWMF-LEOMRAHMSA-N 2 2 336.520 3.493 10 0 EGAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000598997412 460122223 /nfs/dbraw/zinc/12/22/23/460122223.db2.gz AJQZBJPCBKVWMF-LEOMRAHMSA-N 2 2 336.520 3.493 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000576412772 460137594 /nfs/dbraw/zinc/13/75/94/460137594.db2.gz QHIYVOANBYUKLW-UHFFFAOYSA-N 2 2 341.499 3.016 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000576412772 460137599 /nfs/dbraw/zinc/13/75/99/460137599.db2.gz QHIYVOANBYUKLW-UHFFFAOYSA-N 2 2 341.499 3.016 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454416 460418065 /nfs/dbraw/zinc/41/80/65/460418065.db2.gz IBWHLNDGWDLTGJ-XLIONFOSSA-N 2 2 346.515 3.249 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454416 460418070 /nfs/dbraw/zinc/41/80/70/460418070.db2.gz IBWHLNDGWDLTGJ-XLIONFOSSA-N 2 2 346.515 3.249 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000628476014 460431597 /nfs/dbraw/zinc/43/15/97/460431597.db2.gz VXXSXNSSEXERHO-SJLPKXTDSA-N 2 2 332.488 3.480 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000634810230 460532003 /nfs/dbraw/zinc/53/20/03/460532003.db2.gz QDLKVCMRSBXCNF-GJZGRUSLSA-N 2 2 325.460 3.051 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430308 460545351 /nfs/dbraw/zinc/54/53/51/460545351.db2.gz KNDPFVHALSFRCD-GOEBONIOSA-N 2 2 349.906 3.298 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430308 460545356 /nfs/dbraw/zinc/54/53/56/460545356.db2.gz KNDPFVHALSFRCD-GOEBONIOSA-N 2 2 349.906 3.298 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1SC ZINC000629387941 460746448 /nfs/dbraw/zinc/74/64/48/460746448.db2.gz KUZBLKHZRBBNKF-QWHCGFSZSA-N 2 2 329.307 3.401 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629416726 460751724 /nfs/dbraw/zinc/75/17/24/460751724.db2.gz UYMWELYVCDOWCG-ZWNOBZJWSA-N 2 2 329.307 3.401 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOCC1 ZINC000629525653 460796185 /nfs/dbraw/zinc/79/61/85/460796185.db2.gz YIFMBXHBCAMMDT-CYBMUJFWSA-N 2 2 345.270 3.305 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C[NH2+]1 ZINC000629536471 460799782 /nfs/dbraw/zinc/79/97/82/460799782.db2.gz GGJNKUFQVVHFMQ-KYOSRNDESA-N 2 2 339.277 3.393 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@]3(C)C[C@H]4C[C@H]4C3)c2cc1C ZINC000629605235 460825796 /nfs/dbraw/zinc/82/57/96/460825796.db2.gz ZKYIYOWKNFCADQ-CLWJZODNSA-N 2 2 327.472 3.040 10 0 EGAELP C[C@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C[C@H]1n1cc[nH+]c1 ZINC000624035303 460831235 /nfs/dbraw/zinc/83/12/35/460831235.db2.gz UEMJKVFUYHKUKR-KBXCAEBGSA-N 2 2 332.411 3.167 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C[NH2+]1 ZINC000629660549 460854153 /nfs/dbraw/zinc/85/41/53/460854153.db2.gz VTKZKXYYUCDLNC-NVXWUHKLSA-N 2 2 339.487 3.290 10 0 EGAELP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000624146898 460884267 /nfs/dbraw/zinc/88/42/67/460884267.db2.gz NJBZKTNEICWJLJ-IHPCNDPISA-N 2 2 338.536 3.203 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c2[nH+]ccn2c1 ZINC000624154242 460888381 /nfs/dbraw/zinc/88/83/81/460888381.db2.gz GJHQJADJOMFFTF-INIZCTEOSA-N 2 2 328.460 3.027 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c2[nH+]ccn2c1 ZINC000624154242 460888391 /nfs/dbraw/zinc/88/83/91/460888391.db2.gz GJHQJADJOMFFTF-INIZCTEOSA-N 2 2 328.460 3.027 10 0 EGAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189573 460904404 /nfs/dbraw/zinc/90/44/04/460904404.db2.gz SHQSFIHBNULTDO-WBVHZDCISA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189573 460904406 /nfs/dbraw/zinc/90/44/06/460904406.db2.gz SHQSFIHBNULTDO-WBVHZDCISA-N 2 2 345.487 3.019 10 0 EGAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189706 460904573 /nfs/dbraw/zinc/90/45/73/460904573.db2.gz YSLJFCURLDGOBP-AEFFLSMTSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189706 460904579 /nfs/dbraw/zinc/90/45/79/460904579.db2.gz YSLJFCURLDGOBP-AEFFLSMTSA-N 2 2 329.488 3.319 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770061 460916347 /nfs/dbraw/zinc/91/63/47/460916347.db2.gz JTMKGVWQHVAPMD-HKUYNNGSSA-N 2 2 342.487 3.107 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770061 460916353 /nfs/dbraw/zinc/91/63/53/460916353.db2.gz JTMKGVWQHVAPMD-HKUYNNGSSA-N 2 2 342.487 3.107 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000608075998 460978075 /nfs/dbraw/zinc/97/80/75/460978075.db2.gz YBAPQTHZBXURMY-SFHVURJKSA-N 2 2 345.450 3.380 10 0 EGAELP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)C1CC1 ZINC000621351400 461002793 /nfs/dbraw/zinc/00/27/93/461002793.db2.gz QIWYLRFNUDYTIK-MRXNPFEDSA-N 2 2 342.405 3.129 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)C1CC1 ZINC000621351400 461002800 /nfs/dbraw/zinc/00/28/00/461002800.db2.gz QIWYLRFNUDYTIK-MRXNPFEDSA-N 2 2 342.405 3.129 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC1CC1 ZINC000628147587 461017622 /nfs/dbraw/zinc/01/76/22/461017622.db2.gz SJJSITQLBYVNSZ-OAHLLOKOSA-N 2 2 327.428 3.339 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC1CC1 ZINC000628147587 461017626 /nfs/dbraw/zinc/01/76/26/461017626.db2.gz SJJSITQLBYVNSZ-OAHLLOKOSA-N 2 2 327.428 3.339 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617927914 461026940 /nfs/dbraw/zinc/02/69/40/461026940.db2.gz FQFITVKVQWKINP-KRWDZBQOSA-N 2 2 339.439 3.430 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617927914 461026945 /nfs/dbraw/zinc/02/69/45/461026945.db2.gz FQFITVKVQWKINP-KRWDZBQOSA-N 2 2 339.439 3.430 10 0 EGAELP Cc1cn2c([nH+]1)C[C@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)CC2 ZINC000624515896 461037845 /nfs/dbraw/zinc/03/78/45/461037845.db2.gz PCZOUIUROXBMEZ-OAHLLOKOSA-N 2 2 346.394 3.157 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190721 461042523 /nfs/dbraw/zinc/04/25/23/461042523.db2.gz OAZOKTYQTCZMEW-ICSRJNTNSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190721 461042525 /nfs/dbraw/zinc/04/25/25/461042525.db2.gz OAZOKTYQTCZMEW-ICSRJNTNSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000628190721 461042527 /nfs/dbraw/zinc/04/25/27/461042527.db2.gz OAZOKTYQTCZMEW-ICSRJNTNSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000628190721 461042529 /nfs/dbraw/zinc/04/25/29/461042529.db2.gz OAZOKTYQTCZMEW-ICSRJNTNSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000628237739 461059177 /nfs/dbraw/zinc/05/91/77/461059177.db2.gz XKGLTOMLIOWEKD-GUDVDZBRSA-N 2 2 325.456 3.292 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000628237739 461059182 /nfs/dbraw/zinc/05/91/82/461059182.db2.gz XKGLTOMLIOWEKD-GUDVDZBRSA-N 2 2 325.456 3.292 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000646146934 461104703 /nfs/dbraw/zinc/10/47/03/461104703.db2.gz LPUUGDCRNYRZCE-INIZCTEOSA-N 2 2 337.826 3.448 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000646146934 461104705 /nfs/dbraw/zinc/10/47/05/461104705.db2.gz LPUUGDCRNYRZCE-INIZCTEOSA-N 2 2 337.826 3.448 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[N@@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000668160037 461146094 /nfs/dbraw/zinc/14/60/94/461146094.db2.gz QKGLHAQLEHODCI-UHFFFAOYSA-N 2 2 329.448 3.029 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[N@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000668160037 461146103 /nfs/dbraw/zinc/14/61/03/461146103.db2.gz QKGLHAQLEHODCI-UHFFFAOYSA-N 2 2 329.448 3.029 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)[nH]1 ZINC000637954361 461151446 /nfs/dbraw/zinc/15/14/46/461151446.db2.gz VYVKXFBNDRNGFC-INIZCTEOSA-N 2 2 348.454 3.247 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)[nH]1 ZINC000637954361 461151452 /nfs/dbraw/zinc/15/14/52/461151452.db2.gz VYVKXFBNDRNGFC-INIZCTEOSA-N 2 2 348.454 3.247 10 0 EGAELP COc1ccc(-c2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000662265266 461151851 /nfs/dbraw/zinc/15/18/51/461151851.db2.gz OUGPYZLVOGEKJB-XYPWUTKMSA-N 2 2 327.428 3.065 10 0 EGAELP COc1ccc(-c2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000662265266 461151859 /nfs/dbraw/zinc/15/18/59/461151859.db2.gz OUGPYZLVOGEKJB-XYPWUTKMSA-N 2 2 327.428 3.065 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662265964 461151910 /nfs/dbraw/zinc/15/19/10/461151910.db2.gz VBNBCRQJUIBOMK-SWLSCSKDSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662265964 461151920 /nfs/dbraw/zinc/15/19/20/461151920.db2.gz VBNBCRQJUIBOMK-SWLSCSKDSA-N 2 2 328.378 3.391 10 0 EGAELP [NH3+]CCC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662283887 461164848 /nfs/dbraw/zinc/16/48/48/461164848.db2.gz LCHALYGREXGHOZ-UHFFFAOYSA-N 2 2 332.673 3.058 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cc1 ZINC000662320667 461190693 /nfs/dbraw/zinc/19/06/93/461190693.db2.gz VTOZVFJFISGHOI-GOSISDBHSA-N 2 2 343.471 3.193 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cc1 ZINC000662320667 461190703 /nfs/dbraw/zinc/19/07/03/461190703.db2.gz VTOZVFJFISGHOI-GOSISDBHSA-N 2 2 343.471 3.193 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H](C)SC3)CCCC2)CC1 ZINC000655712514 461382058 /nfs/dbraw/zinc/38/20/58/461382058.db2.gz SRLLPJQXMKHSRM-HOTGVXAUSA-N 2 2 326.550 3.284 10 0 EGAELP CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000665975312 461384751 /nfs/dbraw/zinc/38/47/51/461384751.db2.gz LTFPQLHMANEMOY-QGZVFWFLSA-N 2 2 341.459 3.035 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000655810935 461467064 /nfs/dbraw/zinc/46/70/64/461467064.db2.gz PEOQXAGFLPGIJM-PXNSSMCTSA-N 2 2 339.483 3.399 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000655810935 461467073 /nfs/dbraw/zinc/46/70/73/461467073.db2.gz PEOQXAGFLPGIJM-PXNSSMCTSA-N 2 2 339.483 3.399 10 0 EGAELP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@H]21 ZINC000642207717 461469617 /nfs/dbraw/zinc/46/96/17/461469617.db2.gz CPIJTJATVXSBBX-MLGOLLRUSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@H]21 ZINC000642207717 461469623 /nfs/dbraw/zinc/46/96/23/461469623.db2.gz CPIJTJATVXSBBX-MLGOLLRUSA-N 2 2 339.418 3.171 10 0 EGAELP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653156227 461527448 /nfs/dbraw/zinc/52/74/48/461527448.db2.gz VLPRIVLHZVHXCE-MJGOQNOKSA-N 2 2 348.450 3.071 10 0 EGAELP CO[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000659991682 461534426 /nfs/dbraw/zinc/53/44/26/461534426.db2.gz ZIGIEVDIKWRBNP-OAQYLSRUSA-N 2 2 345.531 3.226 10 0 EGAELP CO[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000659991682 461534434 /nfs/dbraw/zinc/53/44/34/461534434.db2.gz ZIGIEVDIKWRBNP-OAQYLSRUSA-N 2 2 345.531 3.226 10 0 EGAELP COc1cncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000631100456 461548604 /nfs/dbraw/zinc/54/86/04/461548604.db2.gz YIERHJWKEWUFHQ-MRXNPFEDSA-N 2 2 340.471 3.109 10 0 EGAELP CC[NH+]1CCN(C[C@H](C)CNc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663395477 461616622 /nfs/dbraw/zinc/61/66/22/461616622.db2.gz LSXGJXUXYSUFLZ-CYBMUJFWSA-N 2 2 344.425 3.094 10 0 EGAELP CCN1CC[NH+](C[C@H](C)CNc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663395477 461616626 /nfs/dbraw/zinc/61/66/26/461616626.db2.gz LSXGJXUXYSUFLZ-CYBMUJFWSA-N 2 2 344.425 3.094 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189760 461626472 /nfs/dbraw/zinc/62/64/72/461626472.db2.gz CEPJQASOPGIPIN-GJZGRUSLSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189760 461626483 /nfs/dbraw/zinc/62/64/83/461626483.db2.gz CEPJQASOPGIPIN-GJZGRUSLSA-N 2 2 330.394 3.201 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CO)c3cccc(C(F)(F)F)c3)n2c1 ZINC000631193621 461633177 /nfs/dbraw/zinc/63/31/77/461633177.db2.gz YOBKHFJWGSMYTN-INIZCTEOSA-N 2 2 349.356 3.485 10 0 EGAELP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC34CC(C3)C[NH2+]4)cc2c1 ZINC000663497955 461672776 /nfs/dbraw/zinc/67/27/76/461672776.db2.gz LVWMJLFVYWGYQI-UHFFFAOYSA-N 2 2 336.483 3.067 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479673 461724370 /nfs/dbraw/zinc/72/43/70/461724370.db2.gz PLVSGERSBDJPCH-DZGCQCFKSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479673 461724376 /nfs/dbraw/zinc/72/43/76/461724376.db2.gz PLVSGERSBDJPCH-DZGCQCFKSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502924 461749215 /nfs/dbraw/zinc/74/92/15/461749215.db2.gz VGUGIWRNXYNYAD-YGRLFVJLSA-N 2 2 327.241 3.307 10 0 EGAELP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669700346 461771936 /nfs/dbraw/zinc/77/19/36/461771936.db2.gz VNSQHOHYXDYHEV-IPMKNSEASA-N 2 2 327.472 3.499 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901871 461876795 /nfs/dbraw/zinc/87/67/95/461876795.db2.gz WTOSOQHKERVIQA-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901871 461876800 /nfs/dbraw/zinc/87/68/00/461876800.db2.gz WTOSOQHKERVIQA-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000656789220 461899430 /nfs/dbraw/zinc/89/94/30/461899430.db2.gz SIHFRKWKIZOGQX-RTBURBONSA-N 2 2 338.451 3.083 10 0 EGAELP c1ccc(N2CCC([NH2+]CC[C@@H]3CCc4ccccc4N3)CC2)[nH+]c1 ZINC000650721130 461912370 /nfs/dbraw/zinc/91/23/70/461912370.db2.gz RMFBDRXBVSGLLE-IBGZPJMESA-N 2 2 336.483 3.457 10 0 EGAELP Cc1ccccc1-n1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000648011376 461941792 /nfs/dbraw/zinc/94/17/92/461941792.db2.gz PKQWGPQPILKSMG-LJQANCHMSA-N 2 2 338.499 3.344 10 0 EGAELP Cc1ccccc1-n1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000648011376 461941797 /nfs/dbraw/zinc/94/17/97/461941797.db2.gz PKQWGPQPILKSMG-LJQANCHMSA-N 2 2 338.499 3.344 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000648011376 461941805 /nfs/dbraw/zinc/94/18/05/461941805.db2.gz PKQWGPQPILKSMG-LJQANCHMSA-N 2 2 338.499 3.344 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000648011376 461941811 /nfs/dbraw/zinc/94/18/11/461941811.db2.gz PKQWGPQPILKSMG-LJQANCHMSA-N 2 2 338.499 3.344 10 0 EGAELP c1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657287296 462018114 /nfs/dbraw/zinc/01/81/14/462018114.db2.gz XPTROKDWHYYJAK-OAQYLSRUSA-N 2 2 347.466 3.194 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657285535 462018672 /nfs/dbraw/zinc/01/86/72/462018672.db2.gz IKUGBBPFLHYURU-UHFFFAOYSA-N 3 2 347.466 3.022 10 0 EGAELP CC1CC[NH+]([C@@H](C[NH2+]Cc2cnn3c2CCC3)c2cccs2)CC1 ZINC000657291575 462021768 /nfs/dbraw/zinc/02/17/68/462021768.db2.gz XSFZJBUTXUUJPS-SFHVURJKSA-N 2 2 344.528 3.454 10 0 EGAELP CC1(C)CC([NH2+]Cc2c(F)cncc2Br)CC(C)(C)[NH2+]1 ZINC000657293422 462023385 /nfs/dbraw/zinc/02/33/85/462023385.db2.gz ZDLJEGCUQOIVAZ-UHFFFAOYSA-N 2 2 344.272 3.382 10 0 EGAELP C[C@@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000657395306 462095419 /nfs/dbraw/zinc/09/54/19/462095419.db2.gz UDNMZEUANASFLJ-MJGOQNOKSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657395306 462095424 /nfs/dbraw/zinc/09/54/24/462095424.db2.gz UDNMZEUANASFLJ-MJGOQNOKSA-N 2 2 347.466 3.020 10 0 EGAELP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1N1CCCC1 ZINC000667488797 462108038 /nfs/dbraw/zinc/10/80/38/462108038.db2.gz SLTAOOIMJOKQJT-UHFFFAOYSA-N 2 2 347.466 3.500 10 0 EGAELP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1N1CCCC1 ZINC000667488797 462108040 /nfs/dbraw/zinc/10/80/40/462108040.db2.gz SLTAOOIMJOKQJT-UHFFFAOYSA-N 2 2 347.466 3.500 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCCc4ccccc4C3)CC2)CC1 ZINC000648439135 462119410 /nfs/dbraw/zinc/11/94/10/462119410.db2.gz PWDJYBIWZYYKAJ-OAQYLSRUSA-N 3 2 341.543 3.082 10 0 EGAELP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1OCCc2ccccc21 ZINC000667547675 462136306 /nfs/dbraw/zinc/13/63/06/462136306.db2.gz UMONTCJPUKKKDF-HXUWFJFHSA-N 2 2 334.423 3.013 10 0 EGAELP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1OCCc2ccccc21 ZINC000667547675 462136314 /nfs/dbraw/zinc/13/63/14/462136314.db2.gz UMONTCJPUKKKDF-HXUWFJFHSA-N 2 2 334.423 3.013 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)n(-c2cc[nH+]cc2)n1 ZINC000667592810 462163666 /nfs/dbraw/zinc/16/36/66/462163666.db2.gz FWIYNUJYHDEYNS-SFHVURJKSA-N 2 2 348.406 3.333 10 0 EGAELP c1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)n(-c2cc[nH+]cc2)n1 ZINC000667592810 462163671 /nfs/dbraw/zinc/16/36/71/462163671.db2.gz FWIYNUJYHDEYNS-SFHVURJKSA-N 2 2 348.406 3.333 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571159 462185740 /nfs/dbraw/zinc/18/57/40/462185740.db2.gz WASXHAHOGRZBKO-KBAYOESNSA-N 2 2 337.471 3.071 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571159 462185747 /nfs/dbraw/zinc/18/57/47/462185747.db2.gz WASXHAHOGRZBKO-KBAYOESNSA-N 2 2 337.471 3.071 10 0 EGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CC4(C3)CCCCC4)CC2)CC1 ZINC000667641813 462186528 /nfs/dbraw/zinc/18/65/28/462186528.db2.gz DVKHHOCHEWZSNY-UHFFFAOYSA-N 2 2 347.547 3.022 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657776909 462261780 /nfs/dbraw/zinc/26/17/80/462261780.db2.gz IHEABUFYIJONIO-NVXWUHKLSA-N 2 2 338.442 3.179 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000657776909 462261784 /nfs/dbraw/zinc/26/17/84/462261784.db2.gz IHEABUFYIJONIO-NVXWUHKLSA-N 2 2 338.442 3.179 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000657815767 462281424 /nfs/dbraw/zinc/28/14/24/462281424.db2.gz ILCVLJLLCMMEPA-RTWAWAEBSA-N 2 2 346.515 3.245 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000657984259 462337690 /nfs/dbraw/zinc/33/76/90/462337690.db2.gz DBCUAGIWELVNII-LMNJBCLMSA-N 2 2 348.531 3.408 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c[nH+]c12 ZINC000667948004 462340214 /nfs/dbraw/zinc/34/02/14/462340214.db2.gz KLJSJGBZHWNUFS-MRXNPFEDSA-N 2 2 337.427 3.067 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055426 462359124 /nfs/dbraw/zinc/35/91/24/462359124.db2.gz IWHOMYIVNNOSFY-KBXCAEBGSA-N 2 2 344.503 3.494 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055426 462359132 /nfs/dbraw/zinc/35/91/32/462359132.db2.gz IWHOMYIVNNOSFY-KBXCAEBGSA-N 2 2 344.503 3.494 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)n(-c2cc[nH+]cc2)n1 ZINC000668006402 462370439 /nfs/dbraw/zinc/37/04/39/462370439.db2.gz RYLKITMCOYUYPN-OAQYLSRUSA-N 2 2 346.434 3.289 10 0 EGAELP c1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)n(-c2cc[nH+]cc2)n1 ZINC000668006402 462370448 /nfs/dbraw/zinc/37/04/48/462370448.db2.gz RYLKITMCOYUYPN-OAQYLSRUSA-N 2 2 346.434 3.289 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncs2)cc1F ZINC000665260180 462374517 /nfs/dbraw/zinc/37/45/17/462374517.db2.gz YQTZBTMOQUDRPP-ZLDLUXBVSA-N 2 2 335.448 3.087 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277050 462380745 /nfs/dbraw/zinc/38/07/45/462380745.db2.gz RTDUMTRDGRLIDX-ACRUOGEOSA-N 3 2 341.543 3.409 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277050 462380750 /nfs/dbraw/zinc/38/07/50/462380750.db2.gz RTDUMTRDGRLIDX-ACRUOGEOSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000665278066 462381634 /nfs/dbraw/zinc/38/16/34/462381634.db2.gz UNHVUUBTKFCGIV-MVBZYYNJSA-N 2 2 348.462 3.176 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)n1-c1ccccc1 ZINC000652048512 462417864 /nfs/dbraw/zinc/41/78/64/462417864.db2.gz OFQOCJCFQJAQRG-LJQANCHMSA-N 2 2 348.450 3.047 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203383 462470699 /nfs/dbraw/zinc/47/06/99/462470699.db2.gz JZUXIZCBUQJCCY-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203383 462470703 /nfs/dbraw/zinc/47/07/03/462470703.db2.gz JZUXIZCBUQJCCY-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345309 462484374 /nfs/dbraw/zinc/48/43/74/462484374.db2.gz XXWBKTPIXXPKAW-FUHWJXTLSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345309 462484378 /nfs/dbraw/zinc/48/43/78/462484378.db2.gz XXWBKTPIXXPKAW-FUHWJXTLSA-N 2 2 329.513 3.215 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415019 462502936 /nfs/dbraw/zinc/50/29/36/462502936.db2.gz FGKRCUBWSLXGEH-GOEBONIOSA-N 2 2 330.451 3.159 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415019 462502938 /nfs/dbraw/zinc/50/29/38/462502938.db2.gz FGKRCUBWSLXGEH-GOEBONIOSA-N 2 2 330.451 3.159 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175052865 533728167 /nfs/dbraw/zinc/72/81/67/533728167.db2.gz NSRVEDZMLQYKRS-YVSFHVDLSA-N 2 2 340.471 3.311 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175052865 533728178 /nfs/dbraw/zinc/72/81/78/533728178.db2.gz NSRVEDZMLQYKRS-YVSFHVDLSA-N 2 2 340.471 3.311 10 0 EGAELP CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCC2 ZINC000181475778 528143006 /nfs/dbraw/zinc/14/30/06/528143006.db2.gz YWUSVYSWEISGEW-IRXDYDNUSA-N 2 2 326.444 3.095 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000184149312 535541435 /nfs/dbraw/zinc/54/14/35/535541435.db2.gz SJSZDNWMORANQV-HUUCEWRRSA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000184149312 535541439 /nfs/dbraw/zinc/54/14/39/535541439.db2.gz SJSZDNWMORANQV-HUUCEWRRSA-N 2 2 327.472 3.108 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000171960787 536174783 /nfs/dbraw/zinc/17/47/83/536174783.db2.gz ZCNJRJUZWSDDIG-OAHLLOKOSA-N 2 2 349.276 3.440 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000171960787 536174786 /nfs/dbraw/zinc/17/47/86/536174786.db2.gz ZCNJRJUZWSDDIG-OAHLLOKOSA-N 2 2 349.276 3.440 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179508730 547048134 /nfs/dbraw/zinc/04/81/34/547048134.db2.gz OCCVBSDQDNAMLE-CPUCHLNUSA-N 2 2 326.843 3.241 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179508730 547048136 /nfs/dbraw/zinc/04/81/36/547048136.db2.gz OCCVBSDQDNAMLE-CPUCHLNUSA-N 2 2 326.843 3.241 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188408998 547147018 /nfs/dbraw/zinc/14/70/18/547147018.db2.gz UIBFZKLJFVMSKS-CQSZACIVSA-N 2 2 337.370 3.158 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188408998 547147024 /nfs/dbraw/zinc/14/70/24/547147024.db2.gz UIBFZKLJFVMSKS-CQSZACIVSA-N 2 2 337.370 3.158 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000247737331 547293656 /nfs/dbraw/zinc/29/36/56/547293656.db2.gz VQLDYTJKBGXQQM-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000247737331 547293659 /nfs/dbraw/zinc/29/36/59/547293659.db2.gz VQLDYTJKBGXQQM-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674372953 548740710 /nfs/dbraw/zinc/74/07/10/548740710.db2.gz LVXHDYUQMLERKV-LLVKDONJSA-N 2 2 329.429 3.462 10 0 EGAELP COCc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675761921 548975584 /nfs/dbraw/zinc/97/55/84/548975584.db2.gz JSSCPEYNIQYGIT-SFHVURJKSA-N 2 2 325.412 3.233 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000676704238 549131765 /nfs/dbraw/zinc/13/17/65/549131765.db2.gz CHMUMBIUNCBEQY-QGZVFWFLSA-N 2 2 343.471 3.152 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N(C)CCCC[NH+](C)C ZINC000678312050 549467031 /nfs/dbraw/zinc/46/70/31/549467031.db2.gz GMXYLLKAGCEUBT-UHFFFAOYSA-N 2 2 344.503 3.179 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000678935710 549599300 /nfs/dbraw/zinc/59/93/00/549599300.db2.gz HWPKIVGBFILGSI-GOSISDBHSA-N 2 2 331.423 3.141 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@@H+]1C1CC1 ZINC000679023406 549617802 /nfs/dbraw/zinc/61/78/02/549617802.db2.gz FMVXIRFSZWUYKA-AYOQOUSVSA-N 2 2 348.494 3.216 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@H+]1C1CC1 ZINC000679023406 549617805 /nfs/dbraw/zinc/61/78/05/549617805.db2.gz FMVXIRFSZWUYKA-AYOQOUSVSA-N 2 2 348.494 3.216 10 0 EGAELP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680329677 549849632 /nfs/dbraw/zinc/84/96/32/549849632.db2.gz VOMTXZBNJPCZIO-KRWDZBQOSA-N 2 2 327.457 3.313 10 0 EGAELP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680329677 549849634 /nfs/dbraw/zinc/84/96/34/549849634.db2.gz VOMTXZBNJPCZIO-KRWDZBQOSA-N 2 2 327.457 3.313 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000684379394 550321784 /nfs/dbraw/zinc/32/17/84/550321784.db2.gz FWTVMGASHHFAMN-MISYRCLQSA-N 2 2 346.515 3.434 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000738071017 576284481 /nfs/dbraw/zinc/28/44/81/576284481.db2.gz NSSUNQWRWLFFCP-UHFFFAOYSA-N 2 2 339.553 3.180 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000103229372 1292999302 /nfs/dbraw/zinc/99/93/02/1292999302.db2.gz XLGMFLFKKYVKLX-XLIONFOSSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000103229372 1292999310 /nfs/dbraw/zinc/99/93/10/1292999310.db2.gz XLGMFLFKKYVKLX-XLIONFOSSA-N 2 2 334.479 3.447 10 0 EGAELP Cc1cccn2c(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cnc12 ZINC000131050882 1293677295 /nfs/dbraw/zinc/67/72/95/1293677295.db2.gz DIEWMICMGUDQAQ-QGZVFWFLSA-N 2 2 349.482 3.353 10 0 EGAELP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000872089161 1296726781 /nfs/dbraw/zinc/72/67/81/1296726781.db2.gz UDZIGHUMPVSJAE-LEWJYISDSA-N 2 2 328.500 3.167 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311988297 1297113515 /nfs/dbraw/zinc/11/35/15/1297113515.db2.gz PPACRVIKJJJYIX-LBPRGKRZSA-N 2 2 327.266 3.019 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311988297 1297113524 /nfs/dbraw/zinc/11/35/24/1297113524.db2.gz PPACRVIKJJJYIX-LBPRGKRZSA-N 2 2 327.266 3.019 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000379760292 1297541369 /nfs/dbraw/zinc/54/13/69/1297541369.db2.gz BAUYXZQKIVJEDH-PZJWPPBQSA-N 2 2 329.532 3.361 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CN1C(=O)OC(C)(C)C ZINC000399064106 1297724554 /nfs/dbraw/zinc/72/45/54/1297724554.db2.gz KFMSJNISQHPUTI-IAGOWNOFSA-N 2 2 339.524 3.240 10 0 EGAELP c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(CC2CCC2)n1 ZINC000883397636 1302431617 /nfs/dbraw/zinc/43/16/17/1302431617.db2.gz RCPARHGFFMBECI-HXUWFJFHSA-N 2 2 335.455 3.411 10 0 EGAELP c1cn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)sc2n1 ZINC000892445875 1305377530 /nfs/dbraw/zinc/37/75/30/1305377530.db2.gz BSOMXHUOODMURD-UHFFFAOYSA-N 2 2 326.469 3.150 10 0 EGAELP CC[N@@H+](Cc1c(C)ccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075588 1306203493 /nfs/dbraw/zinc/20/34/93/1306203493.db2.gz FWGGSCJYDBQLMD-LJQANCHMSA-N 2 2 338.499 3.316 10 0 EGAELP CC[N@H+](Cc1c(C)ccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075588 1306203500 /nfs/dbraw/zinc/20/35/00/1306203500.db2.gz FWGGSCJYDBQLMD-LJQANCHMSA-N 2 2 338.499 3.316 10 0 EGAELP CC[NH+](Cc1c(C)ccnc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894075588 1306203508 /nfs/dbraw/zinc/20/35/08/1306203508.db2.gz FWGGSCJYDBQLMD-LJQANCHMSA-N 2 2 338.499 3.316 10 0 EGAELP CC[NH+](Cc1c(C)ccnc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894075588 1306203512 /nfs/dbraw/zinc/20/35/12/1306203512.db2.gz FWGGSCJYDBQLMD-LJQANCHMSA-N 2 2 338.499 3.316 10 0 EGAELP O=c1[nH]c2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2[nH]1 ZINC000894776536 1309065381 /nfs/dbraw/zinc/06/53/81/1309065381.db2.gz HFOCIQYDNSCJRK-UHFFFAOYSA-N 2 2 339.443 3.157 10 0 EGAELP CC(C)Cn1nccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112831 1309196974 /nfs/dbraw/zinc/19/69/74/1309196974.db2.gz SDRVMTPUXXVUTA-QAQDUYKDSA-N 2 2 327.476 3.211 10 0 EGAELP Cc1ncoc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000895334902 1309287318 /nfs/dbraw/zinc/28/73/18/1309287318.db2.gz LNEDWEWMIBBFTJ-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1ncoc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000895334902 1309287325 /nfs/dbraw/zinc/28/73/25/1309287325.db2.gz LNEDWEWMIBBFTJ-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP C[C@@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CCN1c1cc[nH+]cc1 ZINC000895557471 1309400361 /nfs/dbraw/zinc/40/03/61/1309400361.db2.gz RIBDOAJRSSNASY-CQSZACIVSA-N 2 2 328.485 3.128 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CCN1c1cc[nH+]cc1 ZINC000895557471 1309400365 /nfs/dbraw/zinc/40/03/65/1309400365.db2.gz RIBDOAJRSSNASY-CQSZACIVSA-N 2 2 328.485 3.128 10 0 EGAELP c1ccc(N2CC[C@H](C[NH+]3CCC(Nc4cccc[nH+]4)CC3)C2)cc1 ZINC000896195007 1309739406 /nfs/dbraw/zinc/73/94/06/1309739406.db2.gz VWVIYHUXHPZIPW-GOSISDBHSA-N 2 2 336.483 3.484 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898902721 1310865815 /nfs/dbraw/zinc/86/58/15/1310865815.db2.gz SBJQLGYTFBFPQQ-UHFFFAOYSA-N 2 2 342.487 3.280 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898902721 1310865820 /nfs/dbraw/zinc/86/58/20/1310865820.db2.gz SBJQLGYTFBFPQQ-UHFFFAOYSA-N 2 2 342.487 3.280 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029343 1328664837 /nfs/dbraw/zinc/66/48/37/1328664837.db2.gz VZQUZKSBBLOMQG-GOSISDBHSA-N 2 2 326.444 3.007 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029343 1328664841 /nfs/dbraw/zinc/66/48/41/1328664841.db2.gz VZQUZKSBBLOMQG-GOSISDBHSA-N 2 2 326.444 3.007 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CN1C(=O)OC(C)(C)C ZINC000858285523 1328729351 /nfs/dbraw/zinc/72/93/51/1328729351.db2.gz YOXMNOVPKBANMM-GDBMZVCRSA-N 2 2 348.491 3.025 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992683 1328759226 /nfs/dbraw/zinc/75/92/26/1328759226.db2.gz UVXCWEYCEANMBP-OWCLPIDISA-N 2 2 348.491 3.092 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992683 1328759228 /nfs/dbraw/zinc/75/92/28/1328759228.db2.gz UVXCWEYCEANMBP-OWCLPIDISA-N 2 2 348.491 3.092 10 0 EGAELP CC1(C)C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C[N@@H+]1Cc1ccccc1 ZINC000922717580 1322601959 /nfs/dbraw/zinc/60/19/59/1322601959.db2.gz LDQXRDBOSSAUGP-NMLBUPMWSA-N 2 2 326.484 3.220 10 0 EGAELP CC1(C)C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C[N@H+]1Cc1ccccc1 ZINC000922717580 1322601963 /nfs/dbraw/zinc/60/19/63/1322601963.db2.gz LDQXRDBOSSAUGP-NMLBUPMWSA-N 2 2 326.484 3.220 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754651 1322611025 /nfs/dbraw/zinc/61/10/25/1322611025.db2.gz QXURUMMXNKPUIO-MNOVXSKESA-N 2 2 335.311 3.128 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(O)cc(F)c1 ZINC000924572843 1323058014 /nfs/dbraw/zinc/05/80/14/1323058014.db2.gz MMWKFUMFDCCMFV-HNNXBMFYSA-N 2 2 344.430 3.214 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000924584285 1323063483 /nfs/dbraw/zinc/06/34/83/1323063483.db2.gz VLMKZGSRCJOLQR-OAHLLOKOSA-N 2 2 327.476 3.053 10 0 EGAELP Clc1ccnc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924647267 1323092831 /nfs/dbraw/zinc/09/28/31/1323092831.db2.gz ZXYNJXYSXISBGS-MRXNPFEDSA-N 2 2 330.863 3.478 10 0 EGAELP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000925057718 1323259552 /nfs/dbraw/zinc/25/95/52/1323259552.db2.gz SXJNTOGOHHBOPK-CRAIPNDOSA-N 2 2 349.906 3.345 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284398 1329085361 /nfs/dbraw/zinc/08/53/61/1329085361.db2.gz RHMQWXUNSXCNON-SFTDATJTSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([N@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284398 1329085365 /nfs/dbraw/zinc/08/53/65/1329085365.db2.gz RHMQWXUNSXCNON-SFTDATJTSA-N 2 2 344.499 3.093 10 0 EGAELP c1nc2ccccc2n1Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925594495 1325225584 /nfs/dbraw/zinc/22/55/84/1325225584.db2.gz NGJFJHJYFARKLB-NRFANRHFSA-N 2 2 346.478 3.459 10 0 EGAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(COC[C@@H]2CCCO2)c1 ZINC000925715451 1325268651 /nfs/dbraw/zinc/26/86/51/1325268651.db2.gz DJCBZDKAGZKPCT-VQTJNVASSA-N 2 2 344.499 3.147 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000925731760 1325275007 /nfs/dbraw/zinc/27/50/07/1325275007.db2.gz VGMQLJHKXGOQCR-QWFCFKBJSA-N 2 2 343.515 3.446 10 0 EGAELP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925779413 1325296513 /nfs/dbraw/zinc/29/65/13/1325296513.db2.gz NBJRMCAYBQYNIE-WDEREUQCSA-N 2 2 348.821 3.253 10 0 EGAELP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000925792875 1325304160 /nfs/dbraw/zinc/30/41/60/1325304160.db2.gz BLZHPUVRPINSGB-ZFWWWQNUSA-N 2 2 338.492 3.357 10 0 EGAELP c1csc([C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2nnc[nH]2)c1 ZINC000925810246 1325311586 /nfs/dbraw/zinc/31/15/86/1325311586.db2.gz YFTJCCWVJBTCNY-INIZCTEOSA-N 2 2 333.505 3.105 10 0 EGAELP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1cn2c([nH+]1)CCCC2 ZINC000926040991 1325400870 /nfs/dbraw/zinc/40/08/70/1325400870.db2.gz ATFCQKQNTUIRQZ-HNNXBMFYSA-N 2 2 328.460 3.333 10 0 EGAELP COc1ccc([C@@H](C[NH+](C)C)N[C@H](C)c2cn3c([nH+]2)CCCC3)cc1 ZINC000926382082 1325534235 /nfs/dbraw/zinc/53/42/35/1325534235.db2.gz HNXNKRVSRRDFEO-DNVCBOLYSA-N 2 2 342.487 3.182 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926480288 1325569772 /nfs/dbraw/zinc/56/97/72/1325569772.db2.gz DAEVEZGADWWLAV-GJZGRUSLSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926480288 1325569782 /nfs/dbraw/zinc/56/97/82/1325569782.db2.gz DAEVEZGADWWLAV-GJZGRUSLSA-N 2 2 327.394 3.249 10 0 EGAELP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000926957201 1327795935 /nfs/dbraw/zinc/79/59/35/1327795935.db2.gz HJGMDKIZYGIIDD-WOJBJXKFSA-N 2 2 346.515 3.072 10 0 EGAELP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000926957201 1327795942 /nfs/dbraw/zinc/79/59/42/1327795942.db2.gz HJGMDKIZYGIIDD-WOJBJXKFSA-N 2 2 346.515 3.072 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCSC2)CCOCC1 ZINC000926961236 1327798675 /nfs/dbraw/zinc/79/86/75/1327798675.db2.gz XPPYDVLUCMLCOD-GOSISDBHSA-N 2 2 334.529 3.153 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCSC2)CCOCC1 ZINC000926961236 1327798678 /nfs/dbraw/zinc/79/86/78/1327798678.db2.gz XPPYDVLUCMLCOD-GOSISDBHSA-N 2 2 334.529 3.153 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)C[NH+](C)C ZINC000926961636 1327799141 /nfs/dbraw/zinc/79/91/41/1327799141.db2.gz JTYDIMRDRXYRSX-GXTWGEPZSA-N 2 2 327.538 3.366 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C)C[NH+](C)C ZINC000926961202 1327799256 /nfs/dbraw/zinc/79/92/56/1327799256.db2.gz IFSKIJZDBFYSSG-GOEBONIOSA-N 2 2 334.460 3.367 10 0 EGAELP C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431737 1329486446 /nfs/dbraw/zinc/48/64/46/1329486446.db2.gz SDHRICCPMKWRTA-UZLBHIALSA-N 2 2 325.456 3.224 10 0 EGAELP C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431737 1329486448 /nfs/dbraw/zinc/48/64/48/1329486448.db2.gz SDHRICCPMKWRTA-UZLBHIALSA-N 2 2 325.456 3.224 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000866661953 1330138868 /nfs/dbraw/zinc/13/88/68/1330138868.db2.gz XTQKNPXOXJNFIO-BHIYHBOVSA-N 2 2 329.488 3.176 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000866661953 1330138871 /nfs/dbraw/zinc/13/88/71/1330138871.db2.gz XTQKNPXOXJNFIO-BHIYHBOVSA-N 2 2 329.488 3.176 10 0 EGAELP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001323157522 1387303864 /nfs/dbraw/zinc/30/38/64/1387303864.db2.gz DONGTWOGFSNUEL-WMZOPIPTSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506716 1387656021 /nfs/dbraw/zinc/65/60/21/1387656021.db2.gz PYZUMTKMDMITCU-QAPCUYQASA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506716 1387656023 /nfs/dbraw/zinc/65/60/23/1387656023.db2.gz PYZUMTKMDMITCU-QAPCUYQASA-N 2 2 348.535 3.289 10 0 EGAELP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324893039 1387808334 /nfs/dbraw/zinc/80/83/34/1387808334.db2.gz OISFJEAZMAYIIW-QGZVFWFLSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324893039 1387808335 /nfs/dbraw/zinc/80/83/35/1387808335.db2.gz OISFJEAZMAYIIW-QGZVFWFLSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155665 1388409901 /nfs/dbraw/zinc/40/99/01/1388409901.db2.gz HILXAYYBBOIZLT-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155665 1388409906 /nfs/dbraw/zinc/40/99/06/1388409906.db2.gz HILXAYYBBOIZLT-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001265630859 1377156764 /nfs/dbraw/zinc/15/67/64/1377156764.db2.gz RHKRFGASPIHJQQ-INIZCTEOSA-N 2 2 348.535 3.342 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC2CCC([NH2+]CCC(C)(C)C)CC2)c[nH+]1 ZINC001265736260 1377164917 /nfs/dbraw/zinc/16/49/17/1377164917.db2.gz NDRURHUZWHLENJ-UHFFFAOYSA-N 2 2 348.535 3.380 10 0 EGAELP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266099672 1377185170 /nfs/dbraw/zinc/18/51/70/1377185170.db2.gz KHMBUVOXMFKIIV-SFHVURJKSA-N 2 2 340.471 3.145 10 0 EGAELP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266099672 1377185172 /nfs/dbraw/zinc/18/51/72/1377185172.db2.gz KHMBUVOXMFKIIV-SFHVURJKSA-N 2 2 340.471 3.145 10 0 EGAELP Cc1cc(C)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC001136254954 1377368884 /nfs/dbraw/zinc/36/88/84/1377368884.db2.gz GESXTDULJKIIQG-GASCZTMLSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1cc(C)c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC001136254954 1377368892 /nfs/dbraw/zinc/36/88/92/1377368892.db2.gz GESXTDULJKIIQG-GASCZTMLSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001268420339 1377508063 /nfs/dbraw/zinc/50/80/63/1377508063.db2.gz WRDFAFSJIQVVNL-OAHLLOKOSA-N 2 2 334.508 3.106 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001271598776 1377643335 /nfs/dbraw/zinc/64/33/35/1377643335.db2.gz CMYITEBKMUFEPD-KRWDZBQOSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001272273111 1377664366 /nfs/dbraw/zinc/66/43/66/1377664366.db2.gz XHFZEOPLDADTCQ-NVXWUHKLSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001272273111 1377664368 /nfs/dbraw/zinc/66/43/68/1377664368.db2.gz 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ZINC001322256696 1387123890 /nfs/dbraw/zinc/12/38/90/1387123890.db2.gz BBNBFSLKMQUTNM-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329303756 1389055825 /nfs/dbraw/zinc/05/58/25/1389055825.db2.gz RKCHDDOHQFTSAA-HZPDHXFCSA-N 2 2 348.535 3.414 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329303756 1389055830 /nfs/dbraw/zinc/05/58/30/1389055830.db2.gz RKCHDDOHQFTSAA-HZPDHXFCSA-N 2 2 348.535 3.414 10 0 EGAELP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329306474 1389057076 /nfs/dbraw/zinc/05/70/76/1389057076.db2.gz FBJVDBGGINSRPS-UHFFFAOYSA-N 2 2 330.476 3.441 10 0 EGAELP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001698712016 1406354197 /nfs/dbraw/zinc/35/41/97/1406354197.db2.gz RNTYPWPNZSGIBG-NZKYNAJMSA-N 2 2 346.519 3.117 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)C)c[nH+]1 ZINC001329473972 1389121895 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c1ccc(OCC2CC2)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001353604562 1392048136 /nfs/dbraw/zinc/04/81/36/1392048136.db2.gz KZKYUCYJZVASMA-UHFFFAOYSA-N 2 2 344.499 3.208 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001479983551 1392516155 /nfs/dbraw/zinc/51/61/55/1392516155.db2.gz WXTGZUAIGCXLSP-QGZVFWFLSA-N 2 2 346.519 3.088 10 0 EGAELP CC(C)C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001480179819 1392612226 /nfs/dbraw/zinc/61/22/26/1392612226.db2.gz PPUUZYFUEUZXTB-XVLXNVKGSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001480179819 1392612227 /nfs/dbraw/zinc/61/22/27/1392612227.db2.gz PPUUZYFUEUZXTB-XVLXNVKGSA-N 2 2 346.519 3.238 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001480328401 1392688456 /nfs/dbraw/zinc/68/84/56/1392688456.db2.gz SHILFGXYISGOKB-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001480328401 1392688457 /nfs/dbraw/zinc/68/84/57/1392688457.db2.gz SHILFGXYISGOKB-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001480328401 1392688459 /nfs/dbraw/zinc/68/84/59/1392688459.db2.gz SHILFGXYISGOKB-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001480328401 1392688460 /nfs/dbraw/zinc/68/84/60/1392688460.db2.gz SHILFGXYISGOKB-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698937184 1406677332 /nfs/dbraw/zinc/67/73/32/1406677332.db2.gz IQTMYSCNNWJPHG-DOTOQJQBSA-N 2 2 334.508 3.058 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433667 1394289537 /nfs/dbraw/zinc/28/95/37/1394289537.db2.gz ZOTSAFMYGXNJPE-RDJZCZTQSA-N 2 2 342.487 3.131 10 0 EGAELP CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433667 1394289539 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3.088 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484161392 1395295747 /nfs/dbraw/zinc/29/57/47/1395295747.db2.gz VUTALPAWPASQQL-IDIXSMAFSA-N 2 2 344.503 3.088 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001484163934 1395299348 /nfs/dbraw/zinc/29/93/48/1395299348.db2.gz WJHDQKZOGLPLQD-FQEVSTJZSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001484163934 1395299350 /nfs/dbraw/zinc/29/93/50/1395299350.db2.gz WJHDQKZOGLPLQD-FQEVSTJZSA-N 2 2 342.487 3.212 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471805 1395407122 /nfs/dbraw/zinc/40/71/22/1395407122.db2.gz CFFJPAAOALMROY-NLMHJGSFSA-N 2 2 344.503 3.113 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471805 1395407124 /nfs/dbraw/zinc/40/71/24/1395407124.db2.gz CFFJPAAOALMROY-NLMHJGSFSA-N 2 2 344.503 3.113 10 0 EGAELP 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1396964499 /nfs/dbraw/zinc/96/44/99/1396964499.db2.gz CNBVXRXKVLEBQF-RYQLBKOJSA-N 2 2 334.508 3.240 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1CC ZINC001689187686 1396964501 /nfs/dbraw/zinc/96/45/01/1396964501.db2.gz CNBVXRXKVLEBQF-RYQLBKOJSA-N 2 2 334.508 3.240 10 0 EGAELP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690027655 1404266551 /nfs/dbraw/zinc/26/65/51/1404266551.db2.gz ULKHSRMRIKJLQT-RTRPANQVSA-N 2 2 332.492 3.113 10 0 EGAELP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690127928 1404321813 /nfs/dbraw/zinc/32/18/13/1404321813.db2.gz GZUMSGJYLXNJOG-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690197080 1404405250 /nfs/dbraw/zinc/40/52/50/1404405250.db2.gz GHYDPCDVRNLOSC-KRWDZBQOSA-N 2 2 334.508 3.011 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690197080 1404405253 /nfs/dbraw/zinc/40/52/53/1404405253.db2.gz 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1405878344 /nfs/dbraw/zinc/87/83/44/1405878344.db2.gz OZVABQGBHUKIGI-XDXAGZTOSA-N 2 2 332.492 3.012 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001692252713 1405878349 /nfs/dbraw/zinc/87/83/49/1405878349.db2.gz OZVABQGBHUKIGI-XDXAGZTOSA-N 2 2 332.492 3.012 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001692252713 1405878354 /nfs/dbraw/zinc/87/83/54/1405878354.db2.gz OZVABQGBHUKIGI-XDXAGZTOSA-N 2 2 332.492 3.012 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001692280132 1405914435 /nfs/dbraw/zinc/91/44/35/1405914435.db2.gz PMCFQTDFMRTYOQ-DKRLNXSXSA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001692280132 1405914440 /nfs/dbraw/zinc/91/44/40/1405914440.db2.gz PMCFQTDFMRTYOQ-DKRLNXSXSA-N 2 2 346.519 3.305 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692321948 1405940366 /nfs/dbraw/zinc/94/03/66/1405940366.db2.gz IHAPRIZLSQGJTJ-BRWVUGGUSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692321948 1405940370 /nfs/dbraw/zinc/94/03/70/1405940370.db2.gz IHAPRIZLSQGJTJ-BRWVUGGUSA-N 2 2 332.492 3.064 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@@H+](CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001732054899 1428297979 /nfs/dbraw/zinc/29/79/79/1428297979.db2.gz KTPYWBMTMDIORC-RHSMWYFYSA-N 2 2 335.467 3.197 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001732054899 1428297982 /nfs/dbraw/zinc/29/79/82/1428297982.db2.gz KTPYWBMTMDIORC-RHSMWYFYSA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001732088631 1428351638 /nfs/dbraw/zinc/35/16/38/1428351638.db2.gz VGCZFDYMSRHROO-QZTJIDSGSA-N 2 2 346.519 3.120 10 0 EGAELP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001732088631 1428351644 /nfs/dbraw/zinc/35/16/44/1428351644.db2.gz VGCZFDYMSRHROO-QZTJIDSGSA-N 2 2 346.519 3.120 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ZINC001713858219 1418654928 /nfs/dbraw/zinc/65/49/28/1418654928.db2.gz LZAMHNDGEJMTFO-KRWDZBQOSA-N 2 2 346.519 3.258 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC=C(C)C)CC1 ZINC001713858219 1418654930 /nfs/dbraw/zinc/65/49/30/1418654930.db2.gz LZAMHNDGEJMTFO-KRWDZBQOSA-N 2 2 346.519 3.258 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001713873547 1418669813 /nfs/dbraw/zinc/66/98/13/1418669813.db2.gz PJEFFMBGUVRPID-INIZCTEOSA-N 2 2 331.504 3.012 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001713873547 1418669815 /nfs/dbraw/zinc/66/98/15/1418669815.db2.gz PJEFFMBGUVRPID-INIZCTEOSA-N 2 2 331.504 3.012 10 0 EGAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001714053450 1418852177 /nfs/dbraw/zinc/85/21/77/1418852177.db2.gz LDXLCROUSVWLNR-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001714053450 1418852178 /nfs/dbraw/zinc/85/21/78/1418852178.db2.gz LDXLCROUSVWLNR-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@@H]1C[NH2+]CCCCCF ZINC001714129792 1418933417 /nfs/dbraw/zinc/93/34/17/1418933417.db2.gz DASYPZSFSASGTD-MRXNPFEDSA-N 2 2 346.450 3.287 10 0 EGAELP C[C@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001714185780 1418993017 /nfs/dbraw/zinc/99/30/17/1418993017.db2.gz DDBPBFODOWORIM-FXAWDEMLSA-N 2 2 348.535 3.364 10 0 EGAELP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001714190940 1418997647 /nfs/dbraw/zinc/99/76/47/1418997647.db2.gz RGHBSRFOXUWGBV-AOCRQIFASA-N 2 2 346.519 3.043 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2C)c[nH+]1 ZINC001714246921 1419033866 /nfs/dbraw/zinc/03/38/66/1419033866.db2.gz MSMRBKNDYCEUGP-NVXWUHKLSA-N 2 2 342.487 3.091 10 0 EGAELP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001733204265 1429310750 /nfs/dbraw/zinc/31/07/50/1429310750.db2.gz ZXFMSVGGMFPMJN-HNGSOEQISA-N 2 2 346.519 3.224 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001714723203 1419484185 /nfs/dbraw/zinc/48/41/85/1419484185.db2.gz ROJADAWFCPFHLM-PKOBYXMFSA-N 2 2 342.487 3.280 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001715027908 1419760088 /nfs/dbraw/zinc/76/00/88/1419760088.db2.gz OYCRLJUMKYTBLR-AEFFLSMTSA-N 2 2 348.535 3.334 10 0 EGAELP CCCC[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001715132600 1419882180 /nfs/dbraw/zinc/88/21/80/1419882180.db2.gz QUKLMWWQYDWXCP-OXJNMPFZSA-N 2 2 342.487 3.403 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]C[C@H](C)CC(C)C)c[nH+]1 ZINC001715211005 1419943616 /nfs/dbraw/zinc/94/36/16/1419943616.db2.gz LESCATGKBJXRNA-SJLPKXTDSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC1CCC(C)CC1 ZINC001715237453 1419967943 /nfs/dbraw/zinc/96/79/43/1419967943.db2.gz HBSSIGQZMFGARF-PCKAHOCUSA-N 2 2 342.487 3.345 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]C/C=C/c1ccccc1 ZINC001715241372 1419970698 /nfs/dbraw/zinc/97/06/98/1419970698.db2.gz ZLKDHHSPJGZMPL-CDVVCGDMSA-N 2 2 348.450 3.232 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715384415 1420081202 /nfs/dbraw/zinc/08/12/02/1420081202.db2.gz IIXLAQVJBVHPGY-BEFAXECRSA-N 2 2 342.487 3.439 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001715666643 1420286161 /nfs/dbraw/zinc/28/61/61/1420286161.db2.gz PSVFSSIGYKXLFS-CQSZACIVSA-N 2 2 340.471 3.008 10 0 EGAELP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001715854173 1420368675 /nfs/dbraw/zinc/36/86/75/1420368675.db2.gz VWEMUNUGCHVJIC-FPLPWBNLSA-N 2 2 327.472 3.383 10 0 EGAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716549129 1420757500 /nfs/dbraw/zinc/75/75/00/1420757500.db2.gz OTMAJMRGZIYXHK-UHFFFAOYSA-N 2 2 336.439 3.123 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717198950 1421166400 /nfs/dbraw/zinc/16/64/00/1421166400.db2.gz BYBZFKDGMSACRU-ZLKFPQNLSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717198950 1421166403 /nfs/dbraw/zinc/16/64/03/1421166403.db2.gz BYBZFKDGMSACRU-ZLKFPQNLSA-N 2 2 332.492 3.161 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[N@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001717212482 1421187140 /nfs/dbraw/zinc/18/71/40/1421187140.db2.gz FXIWMBIJDRCRTH-JLAWEPINSA-N 2 2 348.535 3.441 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[N@@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001717212482 1421187141 /nfs/dbraw/zinc/18/71/41/1421187141.db2.gz FXIWMBIJDRCRTH-JLAWEPINSA-N 2 2 348.535 3.441 10 0 EGAELP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357037 1421292517 /nfs/dbraw/zinc/29/25/17/1421292517.db2.gz VOKFQLQYJCDJMU-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357037 1421292520 /nfs/dbraw/zinc/29/25/20/1421292520.db2.gz VOKFQLQYJCDJMU-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357037 1421292521 /nfs/dbraw/zinc/29/25/21/1421292521.db2.gz VOKFQLQYJCDJMU-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357037 1421292523 /nfs/dbraw/zinc/29/25/23/1421292523.db2.gz VOKFQLQYJCDJMU-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001717448382 1421378135 /nfs/dbraw/zinc/37/81/35/1421378135.db2.gz HXBLKNHYOTVRIR-FHERZECASA-N 2 2 334.508 3.093 10 0 EGAELP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001717448562 1421378512 /nfs/dbraw/zinc/37/85/12/1421378512.db2.gz PIMXTTXPLGLRKH-SREVYHEPSA-N 2 2 346.519 3.068 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC001717517252 1421454699 /nfs/dbraw/zinc/45/46/99/1421454699.db2.gz GAYKRNGXLGRWHW-IEBWSBKVSA-N 2 2 342.487 3.107 10 0 EGAELP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582175 1421508249 /nfs/dbraw/zinc/50/82/49/1421508249.db2.gz DBEGJWOCKNCQLW-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582175 1421508251 /nfs/dbraw/zinc/50/82/51/1421508251.db2.gz DBEGJWOCKNCQLW-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CCCCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717586431 1421514303 /nfs/dbraw/zinc/51/43/03/1421514303.db2.gz LHKHWDWYRXUUKT-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717586431 1421514305 /nfs/dbraw/zinc/51/43/05/1421514305.db2.gz LHKHWDWYRXUUKT-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001733301360 1429486314 /nfs/dbraw/zinc/48/63/14/1429486314.db2.gz ZQGJMNBCAQZYAY-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001733301360 1429486315 /nfs/dbraw/zinc/48/63/15/1429486315.db2.gz ZQGJMNBCAQZYAY-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733301360 1429486318 /nfs/dbraw/zinc/48/63/18/1429486318.db2.gz ZQGJMNBCAQZYAY-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733301360 1429486321 /nfs/dbraw/zinc/48/63/21/1429486321.db2.gz ZQGJMNBCAQZYAY-FXAWDEMLSA-N 2 2 346.519 3.093 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001717951504 1421721225 /nfs/dbraw/zinc/72/12/25/1421721225.db2.gz WUQWRFCWGREILW-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001717951504 1421721228 /nfs/dbraw/zinc/72/12/28/1421721228.db2.gz WUQWRFCWGREILW-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733424378 1429632013 /nfs/dbraw/zinc/63/20/13/1429632013.db2.gz CHVYDCJWVCXDMB-QRWLVFNGSA-N 2 2 342.487 3.131 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)n1cc[nH+]c1 ZINC001733462573 1429689974 /nfs/dbraw/zinc/68/99/74/1429689974.db2.gz XXWBPEZYBMCUKA-UYAOXDASSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)n1cc[nH+]c1 ZINC001733462573 1429689979 /nfs/dbraw/zinc/68/99/79/1429689979.db2.gz XXWBPEZYBMCUKA-UYAOXDASSA-N 2 2 346.519 3.099 10 0 EGAELP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]CCCF ZINC001723370674 1424373647 /nfs/dbraw/zinc/37/36/47/1424373647.db2.gz JGNHMCBFUHYIDV-DLBZAZTESA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161879 1424698477 /nfs/dbraw/zinc/69/84/77/1424698477.db2.gz MDCWJDGHGADTMM-MJGOQNOKSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161879 1424698480 /nfs/dbraw/zinc/69/84/80/1424698480.db2.gz MDCWJDGHGADTMM-MJGOQNOKSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001724601277 1424931692 /nfs/dbraw/zinc/93/16/92/1424931692.db2.gz IFMMGHHDXCWRIO-KOSBQPCFSA-N 2 2 335.879 3.057 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1)n1cc[nH+]c1 ZINC001724797783 1425166162 /nfs/dbraw/zinc/16/61/62/1425166162.db2.gz WYTUQNBSUGCOPS-ADKAHSJRSA-N 2 2 346.519 3.289 10 0 EGAELP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001725104946 1425553197 /nfs/dbraw/zinc/55/31/97/1425553197.db2.gz QQAOYLYHASJMOX-JKSUJKDBSA-N 2 2 342.487 3.405 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240508 1425843867 /nfs/dbraw/zinc/84/38/67/1425843867.db2.gz JCDBTTYMSRZADN-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240508 1425843871 /nfs/dbraw/zinc/84/38/71/1425843871.db2.gz JCDBTTYMSRZADN-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001725242518 1425850165 /nfs/dbraw/zinc/85/01/65/1425850165.db2.gz OUCGIPCMFDAOKP-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001725242518 1425850167 /nfs/dbraw/zinc/85/01/67/1425850167.db2.gz OUCGIPCMFDAOKP-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001725242518 1425850171 /nfs/dbraw/zinc/85/01/71/1425850171.db2.gz OUCGIPCMFDAOKP-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001725242518 1425850182 /nfs/dbraw/zinc/85/01/82/1425850182.db2.gz OUCGIPCMFDAOKP-HKUYNNGSSA-N 2 2 348.535 3.385 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293115 1425939356 /nfs/dbraw/zinc/93/93/56/1425939356.db2.gz XKBPRKCQCOYGMO-IJDCCNJMSA-N 2 2 346.519 3.110 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293115 1425939357 /nfs/dbraw/zinc/93/93/57/1425939357.db2.gz XKBPRKCQCOYGMO-IJDCCNJMSA-N 2 2 346.519 3.110 10 0 EGAELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001725494423 1426172506 /nfs/dbraw/zinc/17/25/06/1426172506.db2.gz IFDHTTZATWUZJQ-ZDUSSCGKSA-N 2 2 328.460 3.049 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C)ccn12 ZINC001725738346 1426412995 /nfs/dbraw/zinc/41/29/95/1426412995.db2.gz HUGNDTJCHUDJKZ-ZQMJAJRESA-N 2 2 348.878 3.129 10 0 EGAELP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818891 1426494631 /nfs/dbraw/zinc/49/46/31/1426494631.db2.gz YGKDMBDYRWPQKJ-IEBWSBKVSA-N 2 2 346.519 3.265 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818891 1426494634 /nfs/dbraw/zinc/49/46/34/1426494634.db2.gz YGKDMBDYRWPQKJ-IEBWSBKVSA-N 2 2 346.519 3.265 10 0 EGAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001731324547 1427265021 /nfs/dbraw/zinc/26/50/21/1427265021.db2.gz CBZPAQUIEXHFSC-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001731324547 1427265022 /nfs/dbraw/zinc/26/50/22/1427265022.db2.gz CBZPAQUIEXHFSC-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001731376090 1427309435 /nfs/dbraw/zinc/30/94/35/1427309435.db2.gz ATZSCMXTMIGFEH-WRFKIARRSA-N 2 2 344.503 3.059 10 0 EGAELP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001731376090 1427309442 /nfs/dbraw/zinc/30/94/42/1427309442.db2.gz ATZSCMXTMIGFEH-WRFKIARRSA-N 2 2 344.503 3.059 10 0 EGAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001731387203 1427334599 /nfs/dbraw/zinc/33/45/99/1427334599.db2.gz IRGYHKKAIPMERD-UHFFFAOYSA-N 2 2 344.503 3.156 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001731521344 1427509840 /nfs/dbraw/zinc/50/98/40/1427509840.db2.gz HHHJOVRFAGCARG-QGZVFWFLSA-N 2 2 348.535 3.007 10 0 EGAELP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001731569876 1427610027 /nfs/dbraw/zinc/61/00/27/1427610027.db2.gz PSKWGANNZDXRQQ-AOCRQIFASA-N 2 2 346.519 3.043 10 0 EGAELP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731923865 1428172007 /nfs/dbraw/zinc/17/20/07/1428172007.db2.gz PBKQMDGTKDAWHZ-UHFFFAOYSA-N 2 2 342.487 3.441 10 0 EGAELP CCCCC[NH2+]C1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733864030 1437692198 /nfs/dbraw/zinc/69/21/98/1437692198.db2.gz JXNKFPCMJKDVTI-UHFFFAOYSA-N 2 2 328.460 3.337 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC3CCCCC3)ccn12 ZINC001733974963 1437774923 /nfs/dbraw/zinc/77/49/23/1437774923.db2.gz XKBPYTCJMZTFDX-HZPDHXFCSA-N 2 2 342.487 3.319 10 0 EGAELP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001734262119 1437979700 /nfs/dbraw/zinc/97/97/00/1437979700.db2.gz WWBILKPVVHARIP-GFCCVEGCSA-N 2 2 348.516 3.014 10 0 EGAELP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001734553322 1438151761 /nfs/dbraw/zinc/15/17/61/1438151761.db2.gz AEWZPKVYIWIGHK-SFHVURJKSA-N 2 2 342.487 3.272 10 0 EGAELP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001734553322 1438151763 /nfs/dbraw/zinc/15/17/63/1438151763.db2.gz AEWZPKVYIWIGHK-SFHVURJKSA-N 2 2 342.487 3.272 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946274 1440118698 /nfs/dbraw/zinc/11/86/98/1440118698.db2.gz ZBUGNFLTUBBVIZ-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946274 1440118699 /nfs/dbraw/zinc/11/86/99/1440118699.db2.gz ZBUGNFLTUBBVIZ-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946274 1440118700 /nfs/dbraw/zinc/11/87/00/1440118700.db2.gz ZBUGNFLTUBBVIZ-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946274 1440118702 /nfs/dbraw/zinc/11/87/02/1440118702.db2.gz ZBUGNFLTUBBVIZ-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103677 168312136 /nfs/dbraw/zinc/31/21/36/168312136.db2.gz XVYKYYNQMNHNBW-IUODEOHRSA-N 2 2 339.418 3.251 10 0 EGAELP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103677 168312138 /nfs/dbraw/zinc/31/21/38/168312138.db2.gz XVYKYYNQMNHNBW-IUODEOHRSA-N 2 2 339.418 3.251 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000368450037 168358066 /nfs/dbraw/zinc/35/80/66/168358066.db2.gz OYHDNCLBJBFKTK-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000368450037 168358067 /nfs/dbraw/zinc/35/80/67/168358067.db2.gz OYHDNCLBJBFKTK-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000368450037 168358068 /nfs/dbraw/zinc/35/80/68/168358068.db2.gz OYHDNCLBJBFKTK-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000368450037 168358070 /nfs/dbraw/zinc/35/80/70/168358070.db2.gz OYHDNCLBJBFKTK-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1csc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000101549732 219135718 /nfs/dbraw/zinc/13/57/18/219135718.db2.gz QNWLTIGNZMZISD-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1csc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000101549732 219135720 /nfs/dbraw/zinc/13/57/20/219135720.db2.gz QNWLTIGNZMZISD-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3F)CC2)[C@@H]2CCO[C@H]21 ZINC000230209507 242249123 /nfs/dbraw/zinc/24/91/23/242249123.db2.gz VLYVFGPRZNYDGQ-QXAKKESOSA-N 2 2 332.463 3.193 10 0 EGAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247108752 243375693 /nfs/dbraw/zinc/37/56/93/243375693.db2.gz IQPQSCUFOWXTRG-WBVHZDCISA-N 2 2 337.423 3.183 10 0 EGAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247108752 243375698 /nfs/dbraw/zinc/37/56/98/243375698.db2.gz IQPQSCUFOWXTRG-WBVHZDCISA-N 2 2 337.423 3.183 10 0 EGAELP Cc1cc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)no1 ZINC000092254443 218130903 /nfs/dbraw/zinc/13/09/03/218130903.db2.gz UFVSEPNCUGBXQV-UHFFFAOYSA-N 2 2 342.487 3.145 10 0 EGAELP Cc1cc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)no1 ZINC000092254443 218130906 /nfs/dbraw/zinc/13/09/06/218130906.db2.gz UFVSEPNCUGBXQV-UHFFFAOYSA-N 2 2 342.487 3.145 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226360 285030428 /nfs/dbraw/zinc/03/04/28/285030428.db2.gz MJWCCDAGAZXURX-QAPCUYQASA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226360 285030429 /nfs/dbraw/zinc/03/04/29/285030429.db2.gz MJWCCDAGAZXURX-QAPCUYQASA-N 2 2 326.431 3.362 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccccc3)[C@H](C)C2)s1 ZINC000328587896 258045353 /nfs/dbraw/zinc/04/53/53/258045353.db2.gz IKCHMIHMERJZCH-DNVCBOLYSA-N 2 2 329.513 3.494 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccccc3)[C@H](C)C2)s1 ZINC000328587896 258045354 /nfs/dbraw/zinc/04/53/54/258045354.db2.gz IKCHMIHMERJZCH-DNVCBOLYSA-N 2 2 329.513 3.494 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923336 141044032 /nfs/dbraw/zinc/04/40/32/141044032.db2.gz MZDQHYQNNXORLK-YOEHRIQHSA-N 2 2 346.450 3.346 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923336 141044034 /nfs/dbraw/zinc/04/40/34/141044034.db2.gz MZDQHYQNNXORLK-YOEHRIQHSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923336 141044037 /nfs/dbraw/zinc/04/40/37/141044037.db2.gz MZDQHYQNNXORLK-YOEHRIQHSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923336 141044039 /nfs/dbraw/zinc/04/40/39/141044039.db2.gz MZDQHYQNNXORLK-YOEHRIQHSA-N 2 2 346.450 3.346 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000346280570 141190572 /nfs/dbraw/zinc/19/05/72/141190572.db2.gz SIWMHNFVAOMCSX-MRXNPFEDSA-N 2 2 339.361 3.284 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000346280570 141190574 /nfs/dbraw/zinc/19/05/74/141190574.db2.gz SIWMHNFVAOMCSX-MRXNPFEDSA-N 2 2 339.361 3.284 10 0 EGAELP Oc1cccnc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000347919811 141216964 /nfs/dbraw/zinc/21/69/64/141216964.db2.gz LEGHSBOPUOMHRG-UHFFFAOYSA-N 2 2 331.847 3.195 10 0 EGAELP CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C(C)C ZINC000348447651 141245988 /nfs/dbraw/zinc/24/59/88/141245988.db2.gz WHBNLECHCQMLBY-KDOFPFPSSA-N 2 2 344.459 3.054 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000353456983 141300696 /nfs/dbraw/zinc/30/06/96/141300696.db2.gz XOVRBXDNPYNCBT-QHAWAJNXSA-N 3 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000353456983 141300699 /nfs/dbraw/zinc/30/06/99/141300699.db2.gz XOVRBXDNPYNCBT-QHAWAJNXSA-N 3 2 327.516 3.113 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000354567667 141307864 /nfs/dbraw/zinc/30/78/64/141307864.db2.gz DYGSHCDPMNZADE-KRWDZBQOSA-N 2 2 334.423 3.388 10 0 EGAELP C[NH+](C)C1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000171975586 144014190 /nfs/dbraw/zinc/01/41/90/144014190.db2.gz XVZGMSAYFVHDJG-UHFFFAOYSA-N 2 2 340.427 3.432 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000172753805 144027101 /nfs/dbraw/zinc/02/71/01/144027101.db2.gz KYDDUVWYKPYPAC-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000344864262 144233371 /nfs/dbraw/zinc/23/33/71/144233371.db2.gz MHNCBGYKWVXPAA-CWRNSKLLSA-N 2 2 330.394 3.064 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000344864262 144233372 /nfs/dbraw/zinc/23/33/72/144233372.db2.gz MHNCBGYKWVXPAA-CWRNSKLLSA-N 2 2 330.394 3.064 10 0 EGAELP Cc1c(C)c(C)c(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c(C)c1C ZINC000361621174 144338505 /nfs/dbraw/zinc/33/85/05/144338505.db2.gz UDBLPLXASUWSMR-UHFFFAOYSA-N 2 2 340.515 3.280 10 0 EGAELP Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1Oc1cc[nH+]cc1 ZINC000188840407 153036878 /nfs/dbraw/zinc/03/68/78/153036878.db2.gz MHCJVFVZKCNCQU-UHFFFAOYSA-N 2 2 337.423 3.103 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000191883505 153227562 /nfs/dbraw/zinc/22/75/62/153227562.db2.gz VMDHAKCUXKHMCW-UHFFFAOYSA-N 2 2 348.450 3.209 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000192948464 153268815 /nfs/dbraw/zinc/26/88/15/153268815.db2.gz RKACBQKVNWFJOQ-GOSISDBHSA-N 2 2 326.440 3.155 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000192948464 153268819 /nfs/dbraw/zinc/26/88/19/153268819.db2.gz RKACBQKVNWFJOQ-GOSISDBHSA-N 2 2 326.440 3.155 10 0 EGAELP Cc1cc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nn1C ZINC000337398108 154333709 /nfs/dbraw/zinc/33/37/09/154333709.db2.gz CFHKUXNCOIJVDO-GRTSSRMGSA-N 2 2 344.425 3.184 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453707 154360529 /nfs/dbraw/zinc/36/05/29/154360529.db2.gz VPCKWFKRXDUUNC-HKUYNNGSSA-N 2 2 331.504 3.340 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453707 154360532 /nfs/dbraw/zinc/36/05/32/154360532.db2.gz VPCKWFKRXDUUNC-HKUYNNGSSA-N 2 2 331.504 3.340 10 0 EGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486060 154377754 /nfs/dbraw/zinc/37/77/54/154377754.db2.gz IEKMUGMAGPJOOB-AEFFLSMTSA-N 2 2 347.503 3.377 10 0 EGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486060 154377756 /nfs/dbraw/zinc/37/77/56/154377756.db2.gz IEKMUGMAGPJOOB-AEFFLSMTSA-N 2 2 347.503 3.377 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126966 156361255 /nfs/dbraw/zinc/36/12/55/156361255.db2.gz HDEKRYMITKFXFD-GDBMZVCRSA-N 2 2 331.435 3.236 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126966 156361258 /nfs/dbraw/zinc/36/12/58/156361258.db2.gz HDEKRYMITKFXFD-GDBMZVCRSA-N 2 2 331.435 3.236 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1C1CC1 ZINC000349132327 156363448 /nfs/dbraw/zinc/36/34/48/156363448.db2.gz RPDFAHLTDBALHQ-UHFFFAOYSA-N 2 2 345.487 3.098 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682117 157262999 /nfs/dbraw/zinc/26/29/99/157262999.db2.gz FVWSXVJNBPIDDH-FXAWDEMLSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682117 157263002 /nfs/dbraw/zinc/26/30/02/157263002.db2.gz FVWSXVJNBPIDDH-FXAWDEMLSA-N 2 2 341.503 3.046 10 0 EGAELP Cc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112073709 162162923 /nfs/dbraw/zinc/16/29/23/162162923.db2.gz KVUOGWAMRQQFJB-QGZVFWFLSA-N 2 2 325.460 3.379 10 0 EGAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000344166468 164118085 /nfs/dbraw/zinc/11/80/85/164118085.db2.gz ZVXRVMKFYGYHAS-INIZCTEOSA-N 2 2 334.460 3.154 10 0 EGAELP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000344166468 164118086 /nfs/dbraw/zinc/11/80/86/164118086.db2.gz ZVXRVMKFYGYHAS-INIZCTEOSA-N 2 2 334.460 3.154 10 0 EGAELP CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344251486 164137439 /nfs/dbraw/zinc/13/74/39/164137439.db2.gz ZMMHJIYVGLLDIH-AWEZNQCLSA-N 2 2 346.500 3.479 10 0 EGAELP CCCCNC(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346167960 164355138 /nfs/dbraw/zinc/35/51/38/164355138.db2.gz HJDCLXGHGSCTLL-UHFFFAOYSA-N 2 2 346.500 3.062 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cnccn2)cc1 ZINC000346571386 164399192 /nfs/dbraw/zinc/39/91/92/164399192.db2.gz YSTKUMAQOPGWPW-IBGZPJMESA-N 2 2 337.402 3.192 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3ccc(OCC(C)C)cc3)CC2)cc[nH+]1 ZINC000355375224 166178856 /nfs/dbraw/zinc/17/88/56/166178856.db2.gz WQVYOCKOFRGIKK-UHFFFAOYSA-N 2 2 340.471 3.142 10 0 EGAELP CCOC(=O)C[C@@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000359395629 167144885 /nfs/dbraw/zinc/14/48/85/167144885.db2.gz STPYKKLYSKRLGF-QGZVFWFLSA-N 2 2 335.473 3.391 10 0 EGAELP CC[N@H+](Cc1c[nH]cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367432892 168225248 /nfs/dbraw/zinc/22/52/48/168225248.db2.gz RHAHQMSZVQWNNH-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP CC[N@@H+](Cc1c[nH]cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367432892 168225250 /nfs/dbraw/zinc/22/52/50/168225250.db2.gz RHAHQMSZVQWNNH-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP CC[N@H+](Cc1cnc[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367432892 168225252 /nfs/dbraw/zinc/22/52/52/168225252.db2.gz RHAHQMSZVQWNNH-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP CC[N@@H+](Cc1cnc[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367432892 168225253 /nfs/dbraw/zinc/22/52/53/168225253.db2.gz RHAHQMSZVQWNNH-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367596979 168247419 /nfs/dbraw/zinc/24/74/19/168247419.db2.gz KWTTZJGBLHTDJF-SCTDSRPQSA-N 3 2 326.488 3.197 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367596979 168247421 /nfs/dbraw/zinc/24/74/21/168247421.db2.gz KWTTZJGBLHTDJF-SCTDSRPQSA-N 3 2 326.488 3.197 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000122880687 222176217 /nfs/dbraw/zinc/17/62/17/222176217.db2.gz LZRSJLHQWKXKOE-SFHVURJKSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000122880687 222176220 /nfs/dbraw/zinc/17/62/20/222176220.db2.gz LZRSJLHQWKXKOE-SFHVURJKSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000122943011 222186542 /nfs/dbraw/zinc/18/65/42/222186542.db2.gz KTFVJRDGDWKFJX-QGZVFWFLSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2NC(C)=O)C1 ZINC000122943011 222186546 /nfs/dbraw/zinc/18/65/46/222186546.db2.gz KTFVJRDGDWKFJX-QGZVFWFLSA-N 2 2 326.444 3.241 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123279403 222247635 /nfs/dbraw/zinc/24/76/35/222247635.db2.gz VBRULKOCLCLVAQ-NVXWUHKLSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123279403 222247637 /nfs/dbraw/zinc/24/76/37/222247637.db2.gz VBRULKOCLCLVAQ-NVXWUHKLSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279403 222247638 /nfs/dbraw/zinc/24/76/38/222247638.db2.gz VBRULKOCLCLVAQ-NVXWUHKLSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279403 222247641 /nfs/dbraw/zinc/24/76/41/222247641.db2.gz VBRULKOCLCLVAQ-NVXWUHKLSA-N 2 2 325.456 3.193 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000273610889 267069017 /nfs/dbraw/zinc/06/90/17/267069017.db2.gz NSQWLYSNGCVLIA-ZDUSSCGKSA-N 2 2 348.397 3.270 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353633119 275372013 /nfs/dbraw/zinc/37/20/13/275372013.db2.gz WJSPZKICRWOSHP-OCCSQVGLSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353633119 275372015 /nfs/dbraw/zinc/37/20/15/275372015.db2.gz WJSPZKICRWOSHP-OCCSQVGLSA-N 2 2 332.245 3.307 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000280833882 275499633 /nfs/dbraw/zinc/49/96/33/275499633.db2.gz XJRICSITMPOKRG-CVEARBPZSA-N 2 2 327.428 3.002 10 0 EGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281754341 275573525 /nfs/dbraw/zinc/57/35/25/275573525.db2.gz CDLGWPPXVDYIAS-OAHLLOKOSA-N 2 2 335.455 3.490 10 0 EGAELP Cn1c[nH+]cc1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000289574869 276360199 /nfs/dbraw/zinc/36/01/99/276360199.db2.gz GZXNYFXPPJRESR-SFHVURJKSA-N 2 2 333.863 3.062 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372731 277173058 /nfs/dbraw/zinc/17/30/58/277173058.db2.gz XAMRMSZOPLRPDU-YDZRNGNQSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372731 277173059 /nfs/dbraw/zinc/17/30/59/277173059.db2.gz XAMRMSZOPLRPDU-YDZRNGNQSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372731 277173060 /nfs/dbraw/zinc/17/30/60/277173060.db2.gz XAMRMSZOPLRPDU-YDZRNGNQSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372731 277173061 /nfs/dbraw/zinc/17/30/61/277173061.db2.gz XAMRMSZOPLRPDU-YDZRNGNQSA-N 2 2 333.907 3.302 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2n1CCCC2 ZINC000131036633 278378827 /nfs/dbraw/zinc/37/88/27/278378827.db2.gz DKGCRXNVKALBNA-HUUCEWRRSA-N 2 2 336.443 3.212 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000374287321 279278840 /nfs/dbraw/zinc/27/88/40/279278840.db2.gz KOFRFVZLJYWZAG-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000374287321 279278841 /nfs/dbraw/zinc/27/88/41/279278841.db2.gz KOFRFVZLJYWZAG-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000369587338 289206690 /nfs/dbraw/zinc/20/66/90/289206690.db2.gz SNJVFIMWHQLVPY-ZCNNSNEGSA-N 2 2 340.515 3.209 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245620594 290195955 /nfs/dbraw/zinc/19/59/55/290195955.db2.gz WPNMIGDDUBVSRW-KDOFPFPSSA-N 3 2 339.886 3.156 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245620594 290195959 /nfs/dbraw/zinc/19/59/59/290195959.db2.gz WPNMIGDDUBVSRW-KDOFPFPSSA-N 3 2 339.886 3.156 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000295727306 308354351 /nfs/dbraw/zinc/35/43/51/308354351.db2.gz NWZSJQBPQFVJMY-RTBURBONSA-N 2 2 330.497 3.029 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000295727306 308354353 /nfs/dbraw/zinc/35/43/53/308354353.db2.gz NWZSJQBPQFVJMY-RTBURBONSA-N 2 2 330.497 3.029 10 0 EGAELP CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414737909 309098165 /nfs/dbraw/zinc/09/81/65/309098165.db2.gz DRXGWXHBZAETMS-LJQANCHMSA-N 2 2 345.531 3.377 10 0 EGAELP CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414737909 309098166 /nfs/dbraw/zinc/09/81/66/309098166.db2.gz DRXGWXHBZAETMS-LJQANCHMSA-N 2 2 345.531 3.377 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414778625 309100395 /nfs/dbraw/zinc/10/03/95/309100395.db2.gz ZCZBWOBKITWSGQ-KSSFIOAISA-N 2 2 332.879 3.123 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414778625 309100396 /nfs/dbraw/zinc/10/03/96/309100396.db2.gz ZCZBWOBKITWSGQ-KSSFIOAISA-N 2 2 332.879 3.123 10 0 EGAELP C[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C ZINC000414831942 309104502 /nfs/dbraw/zinc/10/45/02/309104502.db2.gz QEKRGYDQUSOSDD-UHFFFAOYSA-N 2 2 334.467 3.465 10 0 EGAELP [NH3+][C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000414837576 309104650 /nfs/dbraw/zinc/10/46/50/309104650.db2.gz UOINUOVYGJDBLD-PMACEKPBSA-N 2 2 326.440 3.034 10 0 EGAELP c1sc(C[NH2+]CCC[NH2+]Cc2cccnc2)nc1-c1ccccc1 ZINC000414873098 309106596 /nfs/dbraw/zinc/10/65/96/309106596.db2.gz GOPNPKXEWNKCPE-UHFFFAOYSA-N 2 2 338.480 3.475 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000414921226 309109404 /nfs/dbraw/zinc/10/94/04/309109404.db2.gz DHKSEUNDYOIMKN-GXTWGEPZSA-N 2 2 346.393 3.114 10 0 EGAELP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000415012688 309114306 /nfs/dbraw/zinc/11/43/06/309114306.db2.gz JOLVGJGSBTVBCX-CABCVRRESA-N 2 2 344.455 3.108 10 0 EGAELP CCCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415014723 309114466 /nfs/dbraw/zinc/11/44/66/309114466.db2.gz XFESNLJYLLKLQH-GHMZBOCLSA-N 2 2 345.281 3.072 10 0 EGAELP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1ccccc1F ZINC000415125198 309122251 /nfs/dbraw/zinc/12/22/51/309122251.db2.gz OXJZXGLQLCITDE-FUHWJXTLSA-N 2 2 337.398 3.006 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1ccccc1F ZINC000415125198 309122252 /nfs/dbraw/zinc/12/22/52/309122252.db2.gz OXJZXGLQLCITDE-FUHWJXTLSA-N 2 2 337.398 3.006 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000415926726 309149177 /nfs/dbraw/zinc/14/91/77/309149177.db2.gz BOXOYNMLMQGFMV-UHFFFAOYSA-N 2 2 337.427 3.074 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420977204 309305457 /nfs/dbraw/zinc/30/54/57/309305457.db2.gz RWFGWXQXYKGJPC-OAHLLOKOSA-N 2 2 348.288 3.432 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420977204 309305458 /nfs/dbraw/zinc/30/54/58/309305458.db2.gz RWFGWXQXYKGJPC-OAHLLOKOSA-N 2 2 348.288 3.432 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422625463 309362790 /nfs/dbraw/zinc/36/27/90/309362790.db2.gz BTFOVVOIFFGVOU-UHFFFAOYSA-N 2 2 330.453 3.016 10 0 EGAELP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900609 309375054 /nfs/dbraw/zinc/37/50/54/309375054.db2.gz AQFWBZJWBUHOAU-JAGQDSLRSA-N 3 2 327.516 3.432 10 0 EGAELP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422900609 309375055 /nfs/dbraw/zinc/37/50/55/309375055.db2.gz AQFWBZJWBUHOAU-JAGQDSLRSA-N 3 2 327.516 3.432 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913324 309375926 /nfs/dbraw/zinc/37/59/26/309375926.db2.gz YGOLVWSAEXEDTE-BPIHKTFHSA-N 3 2 336.483 3.340 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913324 309375927 /nfs/dbraw/zinc/37/59/27/309375927.db2.gz YGOLVWSAEXEDTE-BPIHKTFHSA-N 3 2 336.483 3.340 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000422953285 309377965 /nfs/dbraw/zinc/37/79/65/309377965.db2.gz DVDGXZAZSDXPFI-ZETOZRRWSA-N 2 2 329.271 3.337 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CCO)CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423006658 309380650 /nfs/dbraw/zinc/38/06/50/309380650.db2.gz OTZSZWNTZAILEV-WOJBJXKFSA-N 2 2 346.515 3.411 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423075718 309384623 /nfs/dbraw/zinc/38/46/23/309384623.db2.gz XRERNJAISNPOLG-OAGGEKHMSA-N 2 2 346.393 3.045 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423134334 309387699 /nfs/dbraw/zinc/38/76/99/309387699.db2.gz LYTIDWDBTOZVDH-TYPHKJRUSA-N 2 2 346.515 3.267 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2scnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423155568 309388748 /nfs/dbraw/zinc/38/87/48/309388748.db2.gz QTPVMAOFVQNABB-FUHWJXTLSA-N 2 2 331.485 3.086 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(Br)c1 ZINC000423390337 309398338 /nfs/dbraw/zinc/39/83/38/309398338.db2.gz KANFZSCZNJCKDE-ZIBATOQPSA-N 2 2 327.266 3.106 10 0 EGAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423397129 309398643 /nfs/dbraw/zinc/39/86/43/309398643.db2.gz ODXOZOVGWPMGAR-OWYVNGRQSA-N 2 2 327.241 3.163 10 0 EGAELP COc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]cn2C(C)C)c1 ZINC000425376158 309477290 /nfs/dbraw/zinc/47/72/90/309477290.db2.gz DVWHZBOKRAFJFE-UHFFFAOYSA-N 2 2 330.476 3.036 10 0 EGAELP CCC(CC)[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH+](C)C ZINC000438111729 309806954 /nfs/dbraw/zinc/80/69/54/309806954.db2.gz BQLROZPLEAVVIJ-INIZCTEOSA-N 2 2 331.464 3.131 10 0 EGAELP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394325 310058413 /nfs/dbraw/zinc/05/84/13/310058413.db2.gz NQONTXDYESYMJQ-PBHICJAKSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394325 310058414 /nfs/dbraw/zinc/05/84/14/310058414.db2.gz NQONTXDYESYMJQ-PBHICJAKSA-N 2 2 344.421 3.073 10 0 EGAELP Cc1ccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c[nH+]1 ZINC000449422681 310060933 /nfs/dbraw/zinc/06/09/33/310060933.db2.gz NEAJNRLBXFLDEM-PMACEKPBSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c[nH+]1 ZINC000449422681 310060934 /nfs/dbraw/zinc/06/09/34/310060934.db2.gz NEAJNRLBXFLDEM-PMACEKPBSA-N 2 2 328.431 3.123 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452606873 310234420 /nfs/dbraw/zinc/23/44/20/310234420.db2.gz RBNJWLXTEJXQFY-KRWDZBQOSA-N 2 2 346.862 3.016 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452606873 310234421 /nfs/dbraw/zinc/23/44/21/310234421.db2.gz RBNJWLXTEJXQFY-KRWDZBQOSA-N 2 2 346.862 3.016 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265714 310267938 /nfs/dbraw/zinc/26/79/38/310267938.db2.gz NTFVJKKBAWQSAS-FUHWJXTLSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265714 310267939 /nfs/dbraw/zinc/26/79/39/310267939.db2.gz NTFVJKKBAWQSAS-FUHWJXTLSA-N 2 2 334.504 3.361 10 0 EGAELP CSCc1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000507211522 312063483 /nfs/dbraw/zinc/06/34/83/312063483.db2.gz MSGFPLWWDXRIPB-UHFFFAOYSA-N 2 2 325.547 3.314 10 0 EGAELP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1 ZINC000513072302 312201043 /nfs/dbraw/zinc/20/10/43/312201043.db2.gz ZWFLMBVZVXDHNS-FQEVSTJZSA-N 2 2 341.499 3.179 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514086747 312224602 /nfs/dbraw/zinc/22/46/02/312224602.db2.gz CMYOXOUOSLHOBO-FKBYEOEOSA-N 3 2 341.543 3.156 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514086747 312224603 /nfs/dbraw/zinc/22/46/03/312224603.db2.gz CMYOXOUOSLHOBO-FKBYEOEOSA-N 3 2 341.543 3.156 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c(F)cc1OC ZINC000529530881 313345353 /nfs/dbraw/zinc/34/53/53/313345353.db2.gz QOXOYBSJMHSQGV-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c(F)cc1OC ZINC000529530881 313345356 /nfs/dbraw/zinc/34/53/56/313345356.db2.gz QOXOYBSJMHSQGV-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP COc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000535851021 314079989 /nfs/dbraw/zinc/07/99/89/314079989.db2.gz AIGSCOPROLRPQV-MPGHIAIKSA-N 2 2 341.455 3.298 10 0 EGAELP COc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000535851021 314079990 /nfs/dbraw/zinc/07/99/90/314079990.db2.gz AIGSCOPROLRPQV-MPGHIAIKSA-N 2 2 341.455 3.298 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000537455871 314182285 /nfs/dbraw/zinc/18/22/85/314182285.db2.gz GIEGAHACDWKDBU-HKUYNNGSSA-N 2 2 346.519 3.231 10 0 EGAELP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000537455871 314182286 /nfs/dbraw/zinc/18/22/86/314182286.db2.gz GIEGAHACDWKDBU-HKUYNNGSSA-N 2 2 346.519 3.231 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961527 314287459 /nfs/dbraw/zinc/28/74/59/314287459.db2.gz OOOGJLHJVNJCNF-SMDDNHRTSA-N 2 2 347.532 3.052 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961527 314287463 /nfs/dbraw/zinc/28/74/63/314287463.db2.gz OOOGJLHJVNJCNF-SMDDNHRTSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961527 314287468 /nfs/dbraw/zinc/28/74/68/314287468.db2.gz OOOGJLHJVNJCNF-SMDDNHRTSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961527 314287471 /nfs/dbraw/zinc/28/74/71/314287471.db2.gz OOOGJLHJVNJCNF-SMDDNHRTSA-N 2 2 347.532 3.052 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085536 314362475 /nfs/dbraw/zinc/36/24/75/314362475.db2.gz VHFPCJHGLQLAFS-FZKQIMNGSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085536 314362477 /nfs/dbraw/zinc/36/24/77/314362477.db2.gz VHFPCJHGLQLAFS-FZKQIMNGSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552230558 315207714 /nfs/dbraw/zinc/20/77/14/315207714.db2.gz KXMPOCUNDCHYMY-ADHGMGHFSA-N 2 2 344.503 3.182 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552230558 315207716 /nfs/dbraw/zinc/20/77/16/315207716.db2.gz KXMPOCUNDCHYMY-ADHGMGHFSA-N 2 2 344.503 3.182 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@H]3c3ccccc3)c2cc1C ZINC000552836871 315234457 /nfs/dbraw/zinc/23/44/57/315234457.db2.gz YSIJELGVODLDEG-CEXWTWQISA-N 2 2 335.451 3.160 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959586 316236889 /nfs/dbraw/zinc/23/68/89/316236889.db2.gz CWGFRVZHJSEMAP-LNLFQRSKSA-N 2 2 343.515 3.076 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959586 316236891 /nfs/dbraw/zinc/23/68/91/316236891.db2.gz CWGFRVZHJSEMAP-LNLFQRSKSA-N 2 2 343.515 3.076 10 0 EGAELP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000124707930 454762171 /nfs/dbraw/zinc/76/21/71/454762171.db2.gz FRDRSAFUPTXOTG-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000124707930 454762174 /nfs/dbraw/zinc/76/21/74/454762174.db2.gz FRDRSAFUPTXOTG-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000571342042 317185878 /nfs/dbraw/zinc/18/58/78/317185878.db2.gz UQXCPAHWUABBFI-INIZCTEOSA-N 2 2 329.448 3.230 10 0 EGAELP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000571342042 317185880 /nfs/dbraw/zinc/18/58/80/317185880.db2.gz UQXCPAHWUABBFI-INIZCTEOSA-N 2 2 329.448 3.230 10 0 EGAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000571399488 317194014 /nfs/dbraw/zinc/19/40/14/317194014.db2.gz SQVLAJIVYNKLGO-MPTZACGUSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C/CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000571399488 317194017 /nfs/dbraw/zinc/19/40/17/317194017.db2.gz SQVLAJIVYNKLGO-MPTZACGUSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C/CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000571399488 317194019 /nfs/dbraw/zinc/19/40/19/317194019.db2.gz SQVLAJIVYNKLGO-MPTZACGUSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C/CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000571399488 317194021 /nfs/dbraw/zinc/19/40/21/317194021.db2.gz SQVLAJIVYNKLGO-MPTZACGUSA-N 2 2 329.488 3.441 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000571932026 317267654 /nfs/dbraw/zinc/26/76/54/317267654.db2.gz STOWFFBTCXGRKR-GJZGRUSLSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000571932026 317267655 /nfs/dbraw/zinc/26/76/55/317267655.db2.gz STOWFFBTCXGRKR-GJZGRUSLSA-N 2 2 346.272 3.177 10 0 EGAELP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCCC1 ZINC000572203805 317304999 /nfs/dbraw/zinc/30/49/99/317304999.db2.gz SMOMKQMFHWFFHR-UZLBHIALSA-N 2 2 342.462 3.417 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351157 /nfs/dbraw/zinc/35/11/57/317351157.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351158 /nfs/dbraw/zinc/35/11/58/317351158.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351160 /nfs/dbraw/zinc/35/11/60/317351160.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351162 /nfs/dbraw/zinc/35/11/62/317351162.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 3 2 339.527 3.258 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194382429 455834554 /nfs/dbraw/zinc/83/45/54/455834554.db2.gz WITLCLCKUPYCHQ-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000171930425 323261016 /nfs/dbraw/zinc/26/10/16/323261016.db2.gz XLMOXJMQKPPNOZ-MJGOQNOKSA-N 2 2 341.455 3.387 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000171930425 323261018 /nfs/dbraw/zinc/26/10/18/323261018.db2.gz XLMOXJMQKPPNOZ-MJGOQNOKSA-N 2 2 341.455 3.387 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006904 325049731 /nfs/dbraw/zinc/04/97/31/325049731.db2.gz RUZYGKJXWXTQHW-FUHWJXTLSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006904 325049734 /nfs/dbraw/zinc/04/97/34/325049734.db2.gz RUZYGKJXWXTQHW-FUHWJXTLSA-N 2 2 343.515 3.076 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445978 325252080 /nfs/dbraw/zinc/25/20/80/325252080.db2.gz QHQPVSHNJYJJRO-LMNJBCLMSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445978 325252081 /nfs/dbraw/zinc/25/20/81/325252081.db2.gz QHQPVSHNJYJJRO-LMNJBCLMSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892092 325306426 /nfs/dbraw/zinc/30/64/26/325306426.db2.gz BZZHEDADLGOCGX-APWZRJJASA-N 2 2 338.499 3.436 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892092 325306429 /nfs/dbraw/zinc/30/64/29/325306429.db2.gz BZZHEDADLGOCGX-APWZRJJASA-N 2 2 338.499 3.436 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000580902612 325307887 /nfs/dbraw/zinc/30/78/87/325307887.db2.gz LLUADVDREVTGHU-OFLPRAFFSA-N 2 2 338.879 3.080 10 0 EGAELP C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656304 455219439 /nfs/dbraw/zinc/21/94/39/455219439.db2.gz JEGOSSNBKXGUQA-JXFKEZNVSA-N 2 2 348.450 3.352 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157685554 455220672 /nfs/dbraw/zinc/22/06/72/455220672.db2.gz VPMRSLMSSYYCGX-QUCCMNQESA-N 2 2 326.488 3.306 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000157685554 455220675 /nfs/dbraw/zinc/22/06/75/455220675.db2.gz VPMRSLMSSYYCGX-QUCCMNQESA-N 2 2 326.488 3.306 10 0 EGAELP Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672049 455223862 /nfs/dbraw/zinc/22/38/62/455223862.db2.gz DPHOTBZYASFNBN-KRWDZBQOSA-N 2 2 348.450 3.148 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@@H](C)CSCCF)CCCC2)CC1 ZINC000595020929 459217909 /nfs/dbraw/zinc/21/79/09/459217909.db2.gz VSXVTOUXNYEOLR-HNNXBMFYSA-N 2 2 332.529 3.091 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894228 455250620 /nfs/dbraw/zinc/25/06/20/455250620.db2.gz RRXCAESASDTEQU-JKSUJKDBSA-N 2 2 328.460 3.074 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894275 455251556 /nfs/dbraw/zinc/25/15/56/455251556.db2.gz RRXCAESASDTEQU-CVEARBPZSA-N 2 2 328.460 3.074 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475659 460570518 /nfs/dbraw/zinc/57/05/18/460570518.db2.gz WZCLUAWSLOGNPO-LSDHHAIUSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475659 460570523 /nfs/dbraw/zinc/57/05/23/460570523.db2.gz WZCLUAWSLOGNPO-LSDHHAIUSA-N 2 2 330.394 3.201 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1OCCCO2 ZINC000631888339 460589841 /nfs/dbraw/zinc/58/98/41/460589841.db2.gz YCCWRLUWSCVKPY-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1OCCCO2 ZINC000631888339 460589846 /nfs/dbraw/zinc/58/98/46/460589846.db2.gz YCCWRLUWSCVKPY-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000631880631 460586942 /nfs/dbraw/zinc/58/69/42/460586942.db2.gz ZQLDUVMMACKGIL-HOTGVXAUSA-N 2 2 328.378 3.005 10 0 EGAELP C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000631880631 460586949 /nfs/dbraw/zinc/58/69/49/460586949.db2.gz ZQLDUVMMACKGIL-HOTGVXAUSA-N 2 2 328.378 3.005 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1OCC(F)(F)F ZINC000623527689 460598003 /nfs/dbraw/zinc/59/80/03/460598003.db2.gz BUKXWQWPHUMNSH-NSHDSACASA-N 2 2 343.324 3.137 10 0 EGAELP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000626624392 460604405 /nfs/dbraw/zinc/60/44/05/460604405.db2.gz DBIQRQHCFSZACA-QGZVFWFLSA-N 2 2 340.471 3.234 10 0 EGAELP CCc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)s1 ZINC000084016783 453965572 /nfs/dbraw/zinc/96/55/72/453965572.db2.gz TVPHYJHINAWAPS-UHFFFAOYSA-N 2 2 345.512 3.468 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094248 453968913 /nfs/dbraw/zinc/96/89/13/453968913.db2.gz LTKHSFUVWAXUPY-INIZCTEOSA-N 2 2 335.517 3.234 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094248 453968916 /nfs/dbraw/zinc/96/89/16/453968916.db2.gz LTKHSFUVWAXUPY-INIZCTEOSA-N 2 2 335.517 3.234 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094248 453968918 /nfs/dbraw/zinc/96/89/18/453968918.db2.gz LTKHSFUVWAXUPY-INIZCTEOSA-N 2 2 335.517 3.234 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094248 453968921 /nfs/dbraw/zinc/96/89/21/453968921.db2.gz LTKHSFUVWAXUPY-INIZCTEOSA-N 2 2 335.517 3.234 10 0 EGAELP Cc1cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc(C)[nH+]1 ZINC000042104287 453994255 /nfs/dbraw/zinc/99/42/55/453994255.db2.gz XGNDYXAHAJZKQJ-UHFFFAOYSA-N 2 2 334.826 3.208 10 0 EGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095969197 454243968 /nfs/dbraw/zinc/24/39/68/454243968.db2.gz ZBBHCZBIKAMLKC-WMLDXEAASA-N 2 2 336.443 3.212 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000246143731 455435665 /nfs/dbraw/zinc/43/56/65/455435665.db2.gz BKCMVFWNDZAFKZ-ATZDWAIDSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000246143731 455435668 /nfs/dbraw/zinc/43/56/68/455435668.db2.gz BKCMVFWNDZAFKZ-ATZDWAIDSA-N 2 2 330.497 3.066 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)c2)c[nH+]1 ZINC000623602401 460635220 /nfs/dbraw/zinc/63/52/20/460635220.db2.gz ONOLLTGZFJBDLV-KRWDZBQOSA-N 2 2 325.437 3.165 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@@H](C)C1 ZINC000246221352 455451754 /nfs/dbraw/zinc/45/17/54/455451754.db2.gz QKOJXKCAJBRMBB-WMLDXEAASA-N 2 2 325.460 3.014 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@@H](C)C1 ZINC000246221352 455451759 /nfs/dbraw/zinc/45/17/59/455451759.db2.gz QKOJXKCAJBRMBB-WMLDXEAASA-N 2 2 325.460 3.014 10 0 EGAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000122811449 454570119 /nfs/dbraw/zinc/57/01/19/454570119.db2.gz KDTWHMLNARDOPG-IRXDYDNUSA-N 2 2 348.535 3.135 10 0 EGAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000122811449 454570122 /nfs/dbraw/zinc/57/01/22/454570122.db2.gz KDTWHMLNARDOPG-IRXDYDNUSA-N 2 2 348.535 3.135 10 0 EGAELP c1cn(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)c[nH+]1 ZINC000065535364 454586122 /nfs/dbraw/zinc/58/61/22/454586122.db2.gz HZAJIKBACZCNPH-UHFFFAOYSA-N 2 2 344.422 3.006 10 0 EGAELP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863075 454662515 /nfs/dbraw/zinc/66/25/15/454662515.db2.gz MCZADWITIWJGOE-UHFFFAOYSA-N 2 2 332.879 3.133 10 0 EGAELP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863075 454662520 /nfs/dbraw/zinc/66/25/20/454662520.db2.gz MCZADWITIWJGOE-UHFFFAOYSA-N 2 2 332.879 3.133 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1O ZINC000093016668 454671560 /nfs/dbraw/zinc/67/15/60/454671560.db2.gz BZMBWPQOORNCIA-SFHVURJKSA-N 2 2 332.488 3.489 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1O ZINC000093016668 454671566 /nfs/dbraw/zinc/67/15/66/454671566.db2.gz BZMBWPQOORNCIA-SFHVURJKSA-N 2 2 332.488 3.489 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)n2)cc1 ZINC000081096367 454685337 /nfs/dbraw/zinc/68/53/37/454685337.db2.gz QNLHAHIGHATFHC-MAUKXSAKSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@@H]3CC[N@H+](CC)C[C@@H]3C)n2)cc1 ZINC000081096367 454685341 /nfs/dbraw/zinc/68/53/41/454685341.db2.gz QNLHAHIGHATFHC-MAUKXSAKSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+](C)[C@@H]3CC[NH+](CC)C[C@@H]3C)n2)cc1 ZINC000081096367 454685344 /nfs/dbraw/zinc/68/53/44/454685344.db2.gz QNLHAHIGHATFHC-MAUKXSAKSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+](C)[C@@H]3CC[NH+](CC)C[C@@H]3C)n2)cc1 ZINC000081096367 454685347 /nfs/dbraw/zinc/68/53/47/454685347.db2.gz QNLHAHIGHATFHC-MAUKXSAKSA-N 2 2 342.487 3.461 10 0 EGAELP CCCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147829 454689422 /nfs/dbraw/zinc/68/94/22/454689422.db2.gz JACLPZIPTZWKCJ-FQEVSTJZSA-N 2 2 345.531 3.077 10 0 EGAELP CCCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000093147829 454689424 /nfs/dbraw/zinc/68/94/24/454689424.db2.gz JACLPZIPTZWKCJ-FQEVSTJZSA-N 2 2 345.531 3.077 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2Cl)nc[nH+]1 ZINC000136072225 454718737 /nfs/dbraw/zinc/71/87/37/454718737.db2.gz XALCGQONAJOYNA-AWEZNQCLSA-N 2 2 349.841 3.069 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152967980 454747685 /nfs/dbraw/zinc/74/76/85/454747685.db2.gz AQRJCDMMHWGJJV-UYAOXDASSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152967980 454747691 /nfs/dbraw/zinc/74/76/91/454747691.db2.gz AQRJCDMMHWGJJV-UYAOXDASSA-N 2 2 326.488 3.306 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000177142355 454827773 /nfs/dbraw/zinc/82/77/73/454827773.db2.gz VHQSAVRXNBHYRV-OAHLLOKOSA-N 2 2 345.443 3.225 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000177142355 454827776 /nfs/dbraw/zinc/82/77/76/454827776.db2.gz VHQSAVRXNBHYRV-OAHLLOKOSA-N 2 2 345.443 3.225 10 0 EGAELP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357664 454855821 /nfs/dbraw/zinc/85/58/21/454855821.db2.gz AZRPPPSAWUAFSD-PMACEKPBSA-N 2 2 348.450 3.355 10 0 EGAELP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357664 454855824 /nfs/dbraw/zinc/85/58/24/454855824.db2.gz AZRPPPSAWUAFSD-PMACEKPBSA-N 2 2 348.450 3.355 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178307384 454947645 /nfs/dbraw/zinc/94/76/45/454947645.db2.gz CZMCDSUUTXVHBN-OAHLLOKOSA-N 2 2 339.277 3.348 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(F)c1 ZINC000151483232 454991246 /nfs/dbraw/zinc/99/12/46/454991246.db2.gz HFPODGIOMKGNCJ-CYBMUJFWSA-N 2 2 326.375 3.266 10 0 EGAELP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCCO2 ZINC000151490945 454992437 /nfs/dbraw/zinc/99/24/37/454992437.db2.gz HQSZDMPIQSSTAK-KRWDZBQOSA-N 2 2 338.386 3.410 10 0 EGAELP c1cn(-c2ncccc2C[NH2+]C2CCN(c3ccccc3)CC2)c[nH+]1 ZINC000151515439 454995620 /nfs/dbraw/zinc/99/56/20/454995620.db2.gz TYAQNRNSSVMDNF-UHFFFAOYSA-N 2 2 333.439 3.026 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841390 455114166 /nfs/dbraw/zinc/11/41/66/455114166.db2.gz PZBITBFMGDXADK-INIZCTEOSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841390 455114171 /nfs/dbraw/zinc/11/41/71/455114171.db2.gz PZBITBFMGDXADK-INIZCTEOSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841390 455114177 /nfs/dbraw/zinc/11/41/77/455114177.db2.gz PZBITBFMGDXADK-INIZCTEOSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841390 455114181 /nfs/dbraw/zinc/11/41/81/455114181.db2.gz PZBITBFMGDXADK-INIZCTEOSA-N 2 2 331.504 3.024 10 0 EGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157511733 455202015 /nfs/dbraw/zinc/20/20/15/455202015.db2.gz WXWWYHNGQAESDE-WBVHZDCISA-N 2 2 341.459 3.143 10 0 EGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157511733 455202019 /nfs/dbraw/zinc/20/20/19/455202019.db2.gz WXWWYHNGQAESDE-WBVHZDCISA-N 2 2 341.459 3.143 10 0 EGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157511587 455202269 /nfs/dbraw/zinc/20/22/69/455202269.db2.gz WXWWYHNGQAESDE-RDJZCZTQSA-N 2 2 341.459 3.143 10 0 EGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157511587 455202271 /nfs/dbraw/zinc/20/22/71/455202271.db2.gz WXWWYHNGQAESDE-RDJZCZTQSA-N 2 2 341.459 3.143 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416027 455292261 /nfs/dbraw/zinc/29/22/61/455292261.db2.gz DTZMFRLPUDNLFI-FCEWJHQRSA-N 2 2 349.494 3.007 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416027 455292263 /nfs/dbraw/zinc/29/22/63/455292263.db2.gz DTZMFRLPUDNLFI-FCEWJHQRSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416027 455292265 /nfs/dbraw/zinc/29/22/65/455292265.db2.gz DTZMFRLPUDNLFI-FCEWJHQRSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416027 455292271 /nfs/dbraw/zinc/29/22/71/455292271.db2.gz DTZMFRLPUDNLFI-FCEWJHQRSA-N 2 2 349.494 3.007 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1nccs1 ZINC000180645224 455216853 /nfs/dbraw/zinc/21/68/53/455216853.db2.gz BTMYYKSUGXXOBR-QWHCGFSZSA-N 2 2 341.440 3.007 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)cc[nH+]1 ZINC000183802087 455329043 /nfs/dbraw/zinc/32/90/43/455329043.db2.gz IXXNATGZYOGVNE-GOSISDBHSA-N 2 2 326.419 3.124 10 0 EGAELP Oc1ccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000267355063 455544977 /nfs/dbraw/zinc/54/49/77/455544977.db2.gz HDZQRTUJQNSIIH-UHFFFAOYSA-N 2 2 334.423 3.353 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192058401 455550717 /nfs/dbraw/zinc/55/07/17/455550717.db2.gz UEXYLZWZFGDZAB-HXUWFJFHSA-N 3 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192058401 455550721 /nfs/dbraw/zinc/55/07/21/455550721.db2.gz UEXYLZWZFGDZAB-HXUWFJFHSA-N 3 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000192058401 455550724 /nfs/dbraw/zinc/55/07/24/455550724.db2.gz UEXYLZWZFGDZAB-HXUWFJFHSA-N 2 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000192058401 455550728 /nfs/dbraw/zinc/55/07/28/455550728.db2.gz UEXYLZWZFGDZAB-HXUWFJFHSA-N 2 2 335.455 3.350 10 0 EGAELP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247444213 455600442 /nfs/dbraw/zinc/60/04/42/455600442.db2.gz IXBKUADGRJBBSL-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247444213 455600449 /nfs/dbraw/zinc/60/04/49/455600449.db2.gz IXBKUADGRJBBSL-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899663 455723163 /nfs/dbraw/zinc/72/31/63/455723163.db2.gz MAQDKNMEUDAVSJ-JXFKEZNVSA-N 2 2 349.478 3.131 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899663 455723168 /nfs/dbraw/zinc/72/31/68/455723168.db2.gz MAQDKNMEUDAVSJ-JXFKEZNVSA-N 2 2 349.478 3.131 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000249016339 455741905 /nfs/dbraw/zinc/74/19/05/455741905.db2.gz PQDYOELGQWNSNU-MISYRCLQSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000249016339 455741906 /nfs/dbraw/zinc/74/19/06/455741906.db2.gz PQDYOELGQWNSNU-MISYRCLQSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728900 460694224 /nfs/dbraw/zinc/69/42/24/460694224.db2.gz FMANSLXKVHLUNX-LPHOPBHVSA-N 2 2 332.488 3.207 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728900 460694228 /nfs/dbraw/zinc/69/42/28/460694228.db2.gz FMANSLXKVHLUNX-LPHOPBHVSA-N 2 2 332.488 3.207 10 0 EGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249862947 455779668 /nfs/dbraw/zinc/77/96/68/455779668.db2.gz GTSJZEPUCWXKAR-SJORKVTESA-N 2 2 338.455 3.151 10 0 EGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249862947 455779671 /nfs/dbraw/zinc/77/96/71/455779671.db2.gz GTSJZEPUCWXKAR-SJORKVTESA-N 2 2 338.455 3.151 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194382429 455834553 /nfs/dbraw/zinc/83/45/53/455834553.db2.gz WITLCLCKUPYCHQ-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP Cc1c[nH]c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000623731244 460696017 /nfs/dbraw/zinc/69/60/17/460696017.db2.gz PGQQBYGPGKWJDP-AWEZNQCLSA-N 2 2 327.259 3.417 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285502137 455859204 /nfs/dbraw/zinc/85/92/04/455859204.db2.gz FEQZTIYFGZZYKR-DYVFJYSZSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285502137 455859208 /nfs/dbraw/zinc/85/92/08/455859208.db2.gz FEQZTIYFGZZYKR-DYVFJYSZSA-N 2 2 347.846 3.406 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000606581126 460699653 /nfs/dbraw/zinc/69/96/53/460699653.db2.gz RCPZIZOMBBRHED-UHFFFAOYSA-N 2 2 349.438 3.120 10 0 EGAELP c1nc(N2CCC[C@H]([NH+]3CCCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000301979345 456262698 /nfs/dbraw/zinc/26/26/98/456262698.db2.gz HKCRCXXZSLJAIT-KRWDZBQOSA-N 2 2 329.492 3.143 10 0 EGAELP COc1ccc2oc(C[NH2+][C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cc2c1 ZINC000275498242 456276383 /nfs/dbraw/zinc/27/63/83/456276383.db2.gz JMJKRAGJQOFCJT-AUUYWEPGSA-N 2 2 341.411 3.185 10 0 EGAELP COc1ccc(Cl)cc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352769566 456290352 /nfs/dbraw/zinc/29/03/52/456290352.db2.gz HYDSUVUANFYJDT-UHFFFAOYSA-N 2 2 325.865 3.157 10 0 EGAELP CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000281898383 456352929 /nfs/dbraw/zinc/35/29/29/456352929.db2.gz BJIPQMZMSQCYDU-CQSZACIVSA-N 2 2 329.448 3.105 10 0 EGAELP CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000281898383 456352932 /nfs/dbraw/zinc/35/29/32/456352932.db2.gz BJIPQMZMSQCYDU-CQSZACIVSA-N 2 2 329.448 3.105 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933157 456367218 /nfs/dbraw/zinc/36/72/18/456367218.db2.gz BBQRAMCHIYSHCW-WMZOPIPTSA-N 2 2 341.503 3.033 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933157 456367223 /nfs/dbraw/zinc/36/72/23/456367223.db2.gz BBQRAMCHIYSHCW-WMZOPIPTSA-N 2 2 341.503 3.033 10 0 EGAELP COc1c(C)cc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347834700 456393689 /nfs/dbraw/zinc/39/36/89/456393689.db2.gz WOKQWAIISPFQMQ-UHFFFAOYSA-N 2 2 333.501 3.462 10 0 EGAELP COc1c(C)cc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347834700 456393697 /nfs/dbraw/zinc/39/36/97/456393697.db2.gz WOKQWAIISPFQMQ-UHFFFAOYSA-N 2 2 333.501 3.462 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000347855321 456407168 /nfs/dbraw/zinc/40/71/68/456407168.db2.gz AFAGZZTYMGVHDZ-KRWDZBQOSA-N 2 2 331.504 3.195 10 0 EGAELP C[N@@H+]1CCC[C@@H](CNc2nc[nH+]c(N)c2Cl)[C@@H]1c1cccs1 ZINC000302914014 456436861 /nfs/dbraw/zinc/43/68/61/456436861.db2.gz UXXYIDKNYRLPNQ-GXFFZTMASA-N 2 2 337.880 3.269 10 0 EGAELP C[N@H+]1CCC[C@@H](CNc2nc[nH+]c(N)c2Cl)[C@@H]1c1cccs1 ZINC000302914014 456436868 /nfs/dbraw/zinc/43/68/68/456436868.db2.gz UXXYIDKNYRLPNQ-GXFFZTMASA-N 2 2 337.880 3.269 10 0 EGAELP CCn1nccc1CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000276328542 456447728 /nfs/dbraw/zinc/44/77/28/456447728.db2.gz QMJGHVMMNQNYBH-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CCn1nccc1CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000276328542 456447729 /nfs/dbraw/zinc/44/77/29/456447729.db2.gz QMJGHVMMNQNYBH-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000658224217 462433345 /nfs/dbraw/zinc/43/33/45/462433345.db2.gz OJFIIXHBFGXEJI-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000658224217 462433349 /nfs/dbraw/zinc/43/33/49/462433349.db2.gz OJFIIXHBFGXEJI-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348302028 456607246 /nfs/dbraw/zinc/60/72/46/456607246.db2.gz LEGNTVCIYSQNKH-KBPBESRZSA-N 2 2 335.411 3.150 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000353291136 456615438 /nfs/dbraw/zinc/61/54/38/456615438.db2.gz MSQQURJWNVMSFQ-BHIYHBOVSA-N 2 2 338.536 3.061 10 0 EGAELP COc1cc2c(c(C[NH2+]C3CC[NH+](C4CCC4)CC3)c1)O[C@@H](C)C2 ZINC000340690420 456627374 /nfs/dbraw/zinc/62/73/74/456627374.db2.gz DMSSBXKRVPRQSD-AWEZNQCLSA-N 2 2 330.472 3.125 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468189 456641850 /nfs/dbraw/zinc/64/18/50/456641850.db2.gz DTTWKNSWTZMUBC-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468189 456641854 /nfs/dbraw/zinc/64/18/54/456641854.db2.gz DTTWKNSWTZMUBC-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP CC(C)Oc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000340904194 456751303 /nfs/dbraw/zinc/75/13/03/456751303.db2.gz ALTBXFJUJREXNA-SFHVURJKSA-N 2 2 340.471 3.278 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353623879 456811252 /nfs/dbraw/zinc/81/12/52/456811252.db2.gz PLKPCESJJVDJTQ-IAOVAPTHSA-N 2 2 339.439 3.038 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353623879 456811256 /nfs/dbraw/zinc/81/12/56/456811256.db2.gz PLKPCESJJVDJTQ-IAOVAPTHSA-N 2 2 339.439 3.038 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000353803155 456913826 /nfs/dbraw/zinc/91/38/26/456913826.db2.gz OZMSFSSZYRWKLK-SFHVURJKSA-N 2 2 344.503 3.217 10 0 EGAELP Cc1cn2cc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)ccc2[nH+]1 ZINC000339268757 457030848 /nfs/dbraw/zinc/03/08/48/457030848.db2.gz FUZOTTDZTQIIOP-UHFFFAOYSA-N 2 2 334.423 3.491 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433230 457114829 /nfs/dbraw/zinc/11/48/29/457114829.db2.gz CTKOEFFNTVWYMD-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433230 457114834 /nfs/dbraw/zinc/11/48/34/457114834.db2.gz CTKOEFFNTVWYMD-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433230 457114839 /nfs/dbraw/zinc/11/48/39/457114839.db2.gz CTKOEFFNTVWYMD-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433230 457114845 /nfs/dbraw/zinc/11/48/45/457114845.db2.gz CTKOEFFNTVWYMD-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000359964498 457175110 /nfs/dbraw/zinc/17/51/10/457175110.db2.gz USVPLHHGHFAFRC-UHFFFAOYSA-N 2 2 341.503 3.309 10 0 EGAELP CC[C@H]1C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965338 457247100 /nfs/dbraw/zinc/24/71/00/457247100.db2.gz KMSWIQDBEGELNP-NQIIRXRSSA-N 2 2 345.531 3.226 10 0 EGAELP CC[C@H]1C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965338 457247104 /nfs/dbraw/zinc/24/71/04/457247104.db2.gz KMSWIQDBEGELNP-NQIIRXRSSA-N 2 2 345.531 3.226 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000360329842 457301771 /nfs/dbraw/zinc/30/17/71/457301771.db2.gz QDUWMXZETSJXSZ-IDZYALCFSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000360329842 457301777 /nfs/dbraw/zinc/30/17/77/457301777.db2.gz QDUWMXZETSJXSZ-IDZYALCFSA-N 2 2 336.479 3.145 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000399633320 457510320 /nfs/dbraw/zinc/51/03/20/457510320.db2.gz UKDXYTOINWLJGJ-ZQCLUDFMSA-N 2 2 334.463 3.368 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000399633320 457510324 /nfs/dbraw/zinc/51/03/24/457510324.db2.gz UKDXYTOINWLJGJ-ZQCLUDFMSA-N 2 2 334.463 3.368 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](=O)C(C)(C)C ZINC000371211971 457828830 /nfs/dbraw/zinc/82/88/30/457828830.db2.gz FSROEQJFPBAQQQ-UQNRQAKVSA-N 2 2 336.545 3.034 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](=O)C(C)(C)C ZINC000371211971 457828834 /nfs/dbraw/zinc/82/88/34/457828834.db2.gz FSROEQJFPBAQQQ-UQNRQAKVSA-N 2 2 336.545 3.034 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000371312001 457860452 /nfs/dbraw/zinc/86/04/52/457860452.db2.gz BGSOEOPAUOWUMP-OAHLLOKOSA-N 2 2 349.438 3.497 10 0 EGAELP CC(C)([C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000361980381 457989486 /nfs/dbraw/zinc/98/94/86/457989486.db2.gz ARWRZCLPZHTQOM-SFHVURJKSA-N 2 2 348.441 3.367 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152348 458102848 /nfs/dbraw/zinc/10/28/48/458102848.db2.gz AOZSEFAXQXBLDM-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152348 458102853 /nfs/dbraw/zinc/10/28/53/458102853.db2.gz AOZSEFAXQXBLDM-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152348 458102859 /nfs/dbraw/zinc/10/28/59/458102859.db2.gz AOZSEFAXQXBLDM-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000369152348 458102866 /nfs/dbraw/zinc/10/28/66/458102866.db2.gz AOZSEFAXQXBLDM-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP CC[C@](C)([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000428291523 458115523 /nfs/dbraw/zinc/11/55/23/458115523.db2.gz SGPGKLBWIBGHIS-IBGZPJMESA-N 2 2 331.460 3.446 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000436299263 458286260 /nfs/dbraw/zinc/28/62/60/458286260.db2.gz ROJUIHGIXUQHAO-NQYYFHDYSA-N 2 2 330.472 3.143 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000436299263 458286264 /nfs/dbraw/zinc/28/62/64/458286264.db2.gz ROJUIHGIXUQHAO-NQYYFHDYSA-N 2 2 330.472 3.143 10 0 EGAELP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430075140 458396359 /nfs/dbraw/zinc/39/63/59/458396359.db2.gz AWCVNFLGARBAPL-UHFFFAOYSA-N 2 2 342.487 3.316 10 0 EGAELP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430075140 458396364 /nfs/dbraw/zinc/39/63/64/458396364.db2.gz AWCVNFLGARBAPL-UHFFFAOYSA-N 2 2 342.487 3.316 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423517536 458449792 /nfs/dbraw/zinc/44/97/92/458449792.db2.gz YYRPDBAHXUKKIU-AUUYWEPGSA-N 2 2 346.496 3.003 10 0 EGAELP Cc1nccnc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373518399 458516986 /nfs/dbraw/zinc/51/69/86/458516986.db2.gz GUOKINMOWHJHII-GRTSSRMGSA-N 2 2 342.409 3.241 10 0 EGAELP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377798151 458532001 /nfs/dbraw/zinc/53/20/01/458532001.db2.gz FAMQEXRKQRNSCR-PWSUYJOCSA-N 2 2 337.370 3.228 10 0 EGAELP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377798151 458532007 /nfs/dbraw/zinc/53/20/07/458532007.db2.gz FAMQEXRKQRNSCR-PWSUYJOCSA-N 2 2 337.370 3.228 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803669 458533707 /nfs/dbraw/zinc/53/37/07/458533707.db2.gz YVHJDSQHVJYHQZ-MWLCHTKSSA-N 2 2 325.334 3.358 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803669 458533711 /nfs/dbraw/zinc/53/37/11/458533711.db2.gz YVHJDSQHVJYHQZ-MWLCHTKSSA-N 2 2 325.334 3.358 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761462 458559372 /nfs/dbraw/zinc/55/93/72/458559372.db2.gz FNCYJGUBMFPUAY-KSSFIOAISA-N 2 2 330.472 3.214 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761462 458559376 /nfs/dbraw/zinc/55/93/76/458559376.db2.gz FNCYJGUBMFPUAY-KSSFIOAISA-N 2 2 330.472 3.214 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4CC[NH+](C)CC4)cc3C)C[C@H]2C1 ZINC000424278082 458602058 /nfs/dbraw/zinc/60/20/58/458602058.db2.gz DKFSOTRVWXURNN-LAGDQHSMSA-N 2 2 343.515 3.362 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)C[C@H]2C1 ZINC000424346728 458622181 /nfs/dbraw/zinc/62/21/81/458622181.db2.gz JVLJSTGMTVRIAY-RTJUMIHMSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)C[C@H]2C1 ZINC000424346728 458622185 /nfs/dbraw/zinc/62/21/85/458622185.db2.gz JVLJSTGMTVRIAY-RTJUMIHMSA-N 2 2 328.500 3.443 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556409560 458958214 /nfs/dbraw/zinc/95/82/14/458958214.db2.gz KYLIPDCSOZLWPS-UHFFFAOYSA-N 2 2 325.441 3.028 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235623 459052140 /nfs/dbraw/zinc/05/21/40/459052140.db2.gz IBAHQGGKWIDKHL-BJJXKVORSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235623 459052145 /nfs/dbraw/zinc/05/21/45/459052145.db2.gz IBAHQGGKWIDKHL-BJJXKVORSA-N 2 2 330.394 3.403 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443003463 459073325 /nfs/dbraw/zinc/07/33/25/459073325.db2.gz VZXZGOJAMAUBCU-MRXNPFEDSA-N 2 2 330.394 3.214 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443003463 459073331 /nfs/dbraw/zinc/07/33/31/459073331.db2.gz VZXZGOJAMAUBCU-MRXNPFEDSA-N 2 2 330.394 3.214 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503723 459101972 /nfs/dbraw/zinc/10/19/72/459101972.db2.gz CFNPGGYCXFCPMV-XHDPSFHLSA-N 2 2 329.257 3.061 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503723 459101963 /nfs/dbraw/zinc/10/19/63/459101963.db2.gz CFNPGGYCXFCPMV-XHDPSFHLSA-N 2 2 329.257 3.061 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000521187812 459127008 /nfs/dbraw/zinc/12/70/08/459127008.db2.gz WUQWRVAZYHJNGK-SNVBAGLBSA-N 2 2 346.406 3.459 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000521187812 459127011 /nfs/dbraw/zinc/12/70/11/459127011.db2.gz WUQWRVAZYHJNGK-SNVBAGLBSA-N 2 2 346.406 3.459 10 0 EGAELP Cc1nc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC000521899055 459190995 /nfs/dbraw/zinc/19/09/95/459190995.db2.gz HXKVXIVFIHTKJS-QGZVFWFLSA-N 2 2 345.512 3.291 10 0 EGAELP Cc1nc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC000521899055 459191003 /nfs/dbraw/zinc/19/10/03/459191003.db2.gz HXKVXIVFIHTKJS-QGZVFWFLSA-N 2 2 345.512 3.291 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081395 459307931 /nfs/dbraw/zinc/30/79/31/459307931.db2.gz AXOOKFYAMXKHHU-JKSUJKDBSA-N 2 2 349.438 3.095 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081395 459307936 /nfs/dbraw/zinc/30/79/36/459307936.db2.gz AXOOKFYAMXKHHU-JKSUJKDBSA-N 2 2 349.438 3.095 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000560521476 459364564 /nfs/dbraw/zinc/36/45/64/459364564.db2.gz RZVZJUCKEZOWTN-PLACYPQZSA-N 2 2 327.516 3.286 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000560521476 459364570 /nfs/dbraw/zinc/36/45/70/459364570.db2.gz RZVZJUCKEZOWTN-PLACYPQZSA-N 2 2 327.516 3.286 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473951 459389365 /nfs/dbraw/zinc/38/93/65/459389365.db2.gz NHLJDDOWTPEHQA-TZIWHRDSSA-N 2 2 342.458 3.108 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473951 459389371 /nfs/dbraw/zinc/38/93/71/459389371.db2.gz NHLJDDOWTPEHQA-TZIWHRDSSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473951 459389378 /nfs/dbraw/zinc/38/93/78/459389378.db2.gz NHLJDDOWTPEHQA-TZIWHRDSSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473951 459389380 /nfs/dbraw/zinc/38/93/80/459389380.db2.gz NHLJDDOWTPEHQA-TZIWHRDSSA-N 2 2 342.458 3.108 10 0 EGAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)nc1 ZINC000569334249 459433781 /nfs/dbraw/zinc/43/37/81/459433781.db2.gz VANFLFWJHOYQFW-GOSISDBHSA-N 2 2 332.407 3.192 10 0 EGAELP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)nc1 ZINC000569334249 459433785 /nfs/dbraw/zinc/43/37/85/459433785.db2.gz VANFLFWJHOYQFW-GOSISDBHSA-N 2 2 332.407 3.192 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)C2 ZINC000569892792 459526094 /nfs/dbraw/zinc/52/60/94/459526094.db2.gz UTMCIOVHJDMFEZ-WMLDXEAASA-N 2 2 333.439 3.120 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000569892792 459526100 /nfs/dbraw/zinc/52/61/00/459526100.db2.gz UTMCIOVHJDMFEZ-WMLDXEAASA-N 2 2 333.439 3.120 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000569941409 459536443 /nfs/dbraw/zinc/53/64/43/459536443.db2.gz OSDMCMHZHZGRHZ-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000569941409 459536451 /nfs/dbraw/zinc/53/64/51/459536451.db2.gz OSDMCMHZHZGRHZ-UHFFFAOYSA-N 2 2 337.467 3.364 10 0 EGAELP Cc1cc(C[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)ccn1 ZINC000527657588 459687579 /nfs/dbraw/zinc/68/75/79/459687579.db2.gz QOUNDDRQRMWULZ-UHFFFAOYSA-N 2 2 331.504 3.293 10 0 EGAELP Cc1cc(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)ccn1 ZINC000527657588 459687585 /nfs/dbraw/zinc/68/75/85/459687585.db2.gz QOUNDDRQRMWULZ-UHFFFAOYSA-N 2 2 331.504 3.293 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)n1-c1ccccc1 ZINC000527741480 459720909 /nfs/dbraw/zinc/72/09/09/459720909.db2.gz CSJQIBFCBNMVTO-INIZCTEOSA-N 2 2 349.360 3.270 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008528 459795012 /nfs/dbraw/zinc/79/50/12/459795012.db2.gz FKBSMTPVYJYVDG-YLJYHZDGSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008528 459795017 /nfs/dbraw/zinc/79/50/17/459795017.db2.gz FKBSMTPVYJYVDG-YLJYHZDGSA-N 3 2 345.531 3.295 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1C ZINC000597087584 459834247 /nfs/dbraw/zinc/83/42/47/459834247.db2.gz IJUMOIJLMZIIJK-UAGQMJEPSA-N 2 2 333.476 3.203 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1C ZINC000597087584 459834251 /nfs/dbraw/zinc/83/42/51/459834251.db2.gz IJUMOIJLMZIIJK-UAGQMJEPSA-N 2 2 333.476 3.203 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000597158386 459855522 /nfs/dbraw/zinc/85/55/22/459855522.db2.gz CGMNLVNMAAQYJM-DLBZAZTESA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000597158386 459855526 /nfs/dbraw/zinc/85/55/26/459855526.db2.gz CGMNLVNMAAQYJM-DLBZAZTESA-N 2 2 336.863 3.233 10 0 EGAELP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597242221 459892581 /nfs/dbraw/zinc/89/25/81/459892581.db2.gz VLZPIQQIQRBRTP-DOTOQJQBSA-N 2 2 333.457 3.145 10 0 EGAELP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687109 459967996 /nfs/dbraw/zinc/96/79/96/459967996.db2.gz KLNNWPAEADZSBF-AEFFLSMTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687109 459968002 /nfs/dbraw/zinc/96/80/02/459968002.db2.gz KLNNWPAEADZSBF-AEFFLSMTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687109 459968007 /nfs/dbraw/zinc/96/80/07/459968007.db2.gz KLNNWPAEADZSBF-AEFFLSMTSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687109 459968011 /nfs/dbraw/zinc/96/80/11/459968011.db2.gz KLNNWPAEADZSBF-AEFFLSMTSA-N 2 2 330.447 3.311 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719379 460025757 /nfs/dbraw/zinc/02/57/57/460025757.db2.gz KYCOFGPBCZMWOX-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719379 460025764 /nfs/dbraw/zinc/02/57/64/460025764.db2.gz KYCOFGPBCZMWOX-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719379 460025772 /nfs/dbraw/zinc/02/57/72/460025772.db2.gz KYCOFGPBCZMWOX-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719379 460025776 /nfs/dbraw/zinc/02/57/76/460025776.db2.gz KYCOFGPBCZMWOX-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000576221436 460094486 /nfs/dbraw/zinc/09/44/86/460094486.db2.gz JDCWLDHNHBBWGP-YFVAEKQCSA-N 2 2 342.483 3.016 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cccnc4c3)CC2)nc1 ZINC000589640931 460119899 /nfs/dbraw/zinc/11/98/99/460119899.db2.gz BAHYWLCQXZPSFJ-UHFFFAOYSA-N 2 2 332.451 3.384 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000598997605 460121396 /nfs/dbraw/zinc/12/13/96/460121396.db2.gz FWSKAHVEFJRHLS-YQVWRLOYSA-N 2 2 336.520 3.495 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000598997605 460121402 /nfs/dbraw/zinc/12/14/02/460121402.db2.gz FWSKAHVEFJRHLS-YQVWRLOYSA-N 2 2 336.520 3.495 10 0 EGAELP CC1(C)C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000634683561 460476402 /nfs/dbraw/zinc/47/64/02/460476402.db2.gz UJRTWYJCUZBBQS-WLYUNCDWSA-N 2 2 334.426 3.339 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631658003 460492574 /nfs/dbraw/zinc/49/25/74/460492574.db2.gz BOACEVQOFIHRGP-MRXNPFEDSA-N 2 2 330.394 3.201 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629395286 460747838 /nfs/dbraw/zinc/74/78/38/460747838.db2.gz ORZFYWUOXNHIJO-DNVCBOLYSA-N 2 2 326.488 3.087 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C[NH2+]1 ZINC000629411920 460749085 /nfs/dbraw/zinc/74/90/85/460749085.db2.gz IULWCPVFJGKLBS-GXSJLCMTSA-N 2 2 349.219 3.281 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000629527644 460795236 /nfs/dbraw/zinc/79/52/36/460795236.db2.gz AWDYQLTUPGOIOK-ZCNNSNEGSA-N 2 2 325.456 3.104 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CCOCC1 ZINC000629524768 460795268 /nfs/dbraw/zinc/79/52/68/460795268.db2.gz OUVOJWAHMUBXCT-LJQANCHMSA-N 2 2 337.423 3.015 10 0 EGAELP COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629558763 460807478 /nfs/dbraw/zinc/80/74/78/460807478.db2.gz NFESRTOIIYLMLE-SWLSCSKDSA-N 2 2 339.277 3.204 10 0 EGAELP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629558763 460807479 /nfs/dbraw/zinc/80/74/79/460807479.db2.gz NFESRTOIIYLMLE-SWLSCSKDSA-N 2 2 339.277 3.204 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584947 460815308 /nfs/dbraw/zinc/81/53/08/460815308.db2.gz XPHGNHGLXODUOE-LPTQZCDUSA-N 2 2 337.467 3.098 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584947 460815315 /nfs/dbraw/zinc/81/53/15/460815315.db2.gz XPHGNHGLXODUOE-LPTQZCDUSA-N 2 2 337.467 3.098 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629600768 460823346 /nfs/dbraw/zinc/82/33/46/460823346.db2.gz DGEFRYPIFYWCRG-RBUKOAKNSA-N 2 2 346.515 3.156 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629600768 460823350 /nfs/dbraw/zinc/82/33/50/460823350.db2.gz DGEFRYPIFYWCRG-RBUKOAKNSA-N 2 2 346.515 3.156 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604283 460826291 /nfs/dbraw/zinc/82/62/91/460826291.db2.gz JBVTURJMZVVZNC-KRWDZBQOSA-N 2 2 347.478 3.459 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000629604283 460826302 /nfs/dbraw/zinc/82/63/02/460826302.db2.gz JBVTURJMZVVZNC-KRWDZBQOSA-N 2 2 347.478 3.459 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[NH2+]1 ZINC000629660400 460853637 /nfs/dbraw/zinc/85/36/37/460853637.db2.gz TXCIHAPJGMVDHK-GXTWGEPZSA-N 2 2 338.377 3.121 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123182 460872832 /nfs/dbraw/zinc/87/28/32/460872832.db2.gz HJHXRFBMWYSSGH-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123182 460872834 /nfs/dbraw/zinc/87/28/34/460872834.db2.gz HJHXRFBMWYSSGH-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635696036 460887840 /nfs/dbraw/zinc/88/78/40/460887840.db2.gz DTBGDRCOJWBPBW-CGTJXYLNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635696036 460887850 /nfs/dbraw/zinc/88/78/50/460887850.db2.gz DTBGDRCOJWBPBW-CGTJXYLNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635696036 460887857 /nfs/dbraw/zinc/88/78/57/460887857.db2.gz DTBGDRCOJWBPBW-CGTJXYLNSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635696036 460887866 /nfs/dbraw/zinc/88/78/66/460887866.db2.gz DTBGDRCOJWBPBW-CGTJXYLNSA-N 2 2 344.503 3.016 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189443 460901869 /nfs/dbraw/zinc/90/18/69/460901869.db2.gz KWKJUPJKCLPWQP-APWZRJJASA-N 2 2 329.488 3.319 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189443 460901875 /nfs/dbraw/zinc/90/18/75/460901875.db2.gz KWKJUPJKCLPWQP-APWZRJJASA-N 2 2 329.488 3.319 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188754 460902278 /nfs/dbraw/zinc/90/22/78/460902278.db2.gz AZXWWGSZMBZZKN-KSSFIOAISA-N 2 2 333.451 3.149 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188754 460902287 /nfs/dbraw/zinc/90/22/87/460902287.db2.gz AZXWWGSZMBZZKN-KSSFIOAISA-N 2 2 333.451 3.149 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182249 461036334 /nfs/dbraw/zinc/03/63/34/461036334.db2.gz LGBXPPWSKRVSHU-QGZVFWFLSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182249 461036336 /nfs/dbraw/zinc/03/63/36/461036336.db2.gz LGBXPPWSKRVSHU-QGZVFWFLSA-N 2 2 330.472 3.154 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@@H]1CC[NH3+] ZINC000652355813 461149430 /nfs/dbraw/zinc/14/94/30/461149430.db2.gz ISQFNZYRJDXZMD-GXTWGEPZSA-N 2 2 340.427 3.031 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@@H]1CC[NH3+] ZINC000652355813 461149435 /nfs/dbraw/zinc/14/94/35/461149435.db2.gz ISQFNZYRJDXZMD-GXTWGEPZSA-N 2 2 340.427 3.031 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(Br)cc3Cl)C[C@H]21 ZINC000662267186 461153309 /nfs/dbraw/zinc/15/33/09/461153309.db2.gz SWFDCMXSKISFSO-IRUJWGPZSA-N 2 2 344.684 3.057 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(Br)cc3Cl)C[C@H]21 ZINC000662267186 461153315 /nfs/dbraw/zinc/15/33/15/461153315.db2.gz SWFDCMXSKISFSO-IRUJWGPZSA-N 2 2 344.684 3.057 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649585279 461195824 /nfs/dbraw/zinc/19/58/24/461195824.db2.gz RDJGYUNOZADAOU-IAGOWNOFSA-N 2 2 338.499 3.076 10 0 EGAELP Fc1ccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1F ZINC000668233348 461196279 /nfs/dbraw/zinc/19/62/79/461196279.db2.gz VUIUAETUZAMUIE-UHFFFAOYSA-N 2 2 340.377 3.220 10 0 EGAELP CCOc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1OCC(F)(F)F ZINC000668538755 461321023 /nfs/dbraw/zinc/32/10/23/461321023.db2.gz BVPYSKOSCYUQPB-UHFFFAOYSA-N 2 2 346.393 3.020 10 0 EGAELP CCOc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1OCC(F)(F)F ZINC000668538755 461321030 /nfs/dbraw/zinc/32/10/30/461321030.db2.gz BVPYSKOSCYUQPB-UHFFFAOYSA-N 2 2 346.393 3.020 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn2ccccc2n1 ZINC000655780412 461442076 /nfs/dbraw/zinc/44/20/76/461442076.db2.gz YJWVRGDXQXTJCH-UHOSZYNNSA-N 2 2 334.467 3.330 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn2ccccc2n1 ZINC000655780412 461442081 /nfs/dbraw/zinc/44/20/81/461442081.db2.gz YJWVRGDXQXTJCH-UHOSZYNNSA-N 2 2 334.467 3.330 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000655810933 461467299 /nfs/dbraw/zinc/46/72/99/461467299.db2.gz PEOQXAGFLPGIJM-FXAWDEMLSA-N 2 2 339.483 3.399 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000655810933 461467304 /nfs/dbraw/zinc/46/73/04/461467304.db2.gz PEOQXAGFLPGIJM-FXAWDEMLSA-N 2 2 339.483 3.399 10 0 EGAELP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653156226 461526911 /nfs/dbraw/zinc/52/69/11/461526911.db2.gz VLPRIVLHZVHXCE-IEBWSBKVSA-N 2 2 348.450 3.071 10 0 EGAELP Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)[C@H]21 ZINC000631194740 461634645 /nfs/dbraw/zinc/63/46/45/461634645.db2.gz WNCZDNGAPBIQKL-IAOVAPTHSA-N 2 2 344.256 3.020 10 0 EGAELP COCc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631197149 461637379 /nfs/dbraw/zinc/63/73/79/461637379.db2.gz XTKHLSQZURSQTK-RDJZCZTQSA-N 2 2 345.512 3.147 10 0 EGAELP COCc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631197149 461637385 /nfs/dbraw/zinc/63/73/85/461637385.db2.gz XTKHLSQZURSQTK-RDJZCZTQSA-N 2 2 345.512 3.147 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1Br ZINC000647553997 461765084 /nfs/dbraw/zinc/76/50/84/461765084.db2.gz OQFQMGLNDUFAHJ-AWEZNQCLSA-N 2 2 327.241 3.353 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000660452001 461786976 /nfs/dbraw/zinc/78/69/76/461786976.db2.gz OGRYSKHZPKBHFY-QGZVFWFLSA-N 2 2 335.398 3.406 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903692 461877863 /nfs/dbraw/zinc/87/78/63/461877863.db2.gz OILWGKXZLGTXEB-JKSUJKDBSA-N 2 2 335.517 3.076 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903692 461877870 /nfs/dbraw/zinc/87/78/70/461877870.db2.gz OILWGKXZLGTXEB-JKSUJKDBSA-N 2 2 335.517 3.076 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903689 461877982 /nfs/dbraw/zinc/87/79/82/461877982.db2.gz OILWGKXZLGTXEB-CVEARBPZSA-N 2 2 335.517 3.076 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903689 461877989 /nfs/dbraw/zinc/87/79/89/461877989.db2.gz OILWGKXZLGTXEB-CVEARBPZSA-N 2 2 335.517 3.076 10 0 EGAELP c1cn(-c2ccc(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)cc2)c[nH+]1 ZINC000656792622 461903457 /nfs/dbraw/zinc/90/34/57/461903457.db2.gz UFLQLVSQBBUOKN-HXUWFJFHSA-N 2 2 334.423 3.145 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657297729 462027314 /nfs/dbraw/zinc/02/73/14/462027314.db2.gz IRMLGHGTKMADDA-UHFFFAOYSA-N 2 2 332.414 3.183 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000657297729 462027316 /nfs/dbraw/zinc/02/73/16/462027316.db2.gz IRMLGHGTKMADDA-UHFFFAOYSA-N 2 2 332.414 3.183 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn3c2CCC3)c(C)c1 ZINC000657414185 462107340 /nfs/dbraw/zinc/10/73/40/462107340.db2.gz JVPNOYJZNRDKHF-LJQANCHMSA-N 2 2 335.455 3.174 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000654243469 462113534 /nfs/dbraw/zinc/11/35/34/462113534.db2.gz NBQTUKJATFZKTO-UHFFFAOYSA-N 2 2 334.508 3.022 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549744 462137920 /nfs/dbraw/zinc/13/79/20/462137920.db2.gz VJNJFEGTUZGDCF-QFBILLFUSA-N 2 2 326.488 3.386 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549744 462137924 /nfs/dbraw/zinc/13/79/24/462137924.db2.gz VJNJFEGTUZGDCF-QFBILLFUSA-N 2 2 326.488 3.386 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525564 462166977 /nfs/dbraw/zinc/16/69/77/462166977.db2.gz YUBKDBQHMRVQTR-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525564 462166985 /nfs/dbraw/zinc/16/69/85/462166985.db2.gz YUBKDBQHMRVQTR-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CCc3ccnc4ccccc34)CC2)nc1 ZINC000657590517 462193340 /nfs/dbraw/zinc/19/33/40/462193340.db2.gz YYOADGOBPLVSLO-UHFFFAOYSA-N 2 2 346.478 3.427 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000645164943 462211841 /nfs/dbraw/zinc/21/18/41/462211841.db2.gz XJWGHIXUUGNGEK-LJQANCHMSA-N 2 2 338.499 3.150 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000645164943 462211846 /nfs/dbraw/zinc/21/18/46/462211846.db2.gz XJWGHIXUUGNGEK-LJQANCHMSA-N 2 2 338.499 3.150 10 0 EGAELP Cc1cncc(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000657713462 462239987 /nfs/dbraw/zinc/23/99/87/462239987.db2.gz SYWFLRZBZFUCRT-UHFFFAOYSA-N 2 2 344.890 3.235 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@@H](COC)CC2CCOCC2)[NH+](C)C)cc1 ZINC000657814559 462280902 /nfs/dbraw/zinc/28/09/02/462280902.db2.gz AWWPNYJIYJSIMO-RTWAWAEBSA-N 2 2 348.531 3.273 10 0 EGAELP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCCSCC3)CC2)c1 ZINC000657829029 462287226 /nfs/dbraw/zinc/28/72/26/462287226.db2.gz XPEYXNKCMRFWCL-IBGZPJMESA-N 2 2 347.572 3.382 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)ccc2[nH+]1 ZINC000667861488 462299844 /nfs/dbraw/zinc/29/98/44/462299844.db2.gz TVGXDSGYAAYCLF-LJQANCHMSA-N 2 2 348.450 3.461 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657903170 462313280 /nfs/dbraw/zinc/31/32/80/462313280.db2.gz DQJOLNFUWOPIKC-YYWHXJBOSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657903170 462313285 /nfs/dbraw/zinc/31/32/85/462313285.db2.gz DQJOLNFUWOPIKC-YYWHXJBOSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)C[NH+]1CCOCC1 ZINC000651720277 462315340 /nfs/dbraw/zinc/31/53/40/462315340.db2.gz VRVYCJJSPALRNV-ROUUACIJSA-N 2 2 339.483 3.368 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000667911536 462318599 /nfs/dbraw/zinc/31/85/99/462318599.db2.gz NCFIRGHYGHTIPW-YZGWKJHDSA-N 2 2 325.456 3.398 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC3 ZINC000658055396 462359617 /nfs/dbraw/zinc/35/96/17/462359617.db2.gz IFKBENGOWZNCRM-LSDHHAIUSA-N 2 2 341.499 3.496 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC3 ZINC000658055396 462359620 /nfs/dbraw/zinc/35/96/20/462359620.db2.gz IFKBENGOWZNCRM-LSDHHAIUSA-N 2 2 341.499 3.496 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)n(-c2cc[nH+]cc2)n1 ZINC000668006401 462370782 /nfs/dbraw/zinc/37/07/82/462370782.db2.gz RYLKITMCOYUYPN-NRFANRHFSA-N 2 2 346.434 3.289 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)n(-c2cc[nH+]cc2)n1 ZINC000668006401 462370789 /nfs/dbraw/zinc/37/07/89/462370789.db2.gz RYLKITMCOYUYPN-NRFANRHFSA-N 2 2 346.434 3.289 10 0 EGAELP CC[N@H+](CCC[NH2+]Cc1ncc(COC)s1)C1CCCCC1 ZINC000651910026 462377555 /nfs/dbraw/zinc/37/75/55/462377555.db2.gz DYHAHHVPTRSESF-UHFFFAOYSA-N 2 2 325.522 3.424 10 0 EGAELP CC[N@@H+](CCC[NH2+]Cc1ncc(COC)s1)C1CCCCC1 ZINC000651910026 462377559 /nfs/dbraw/zinc/37/75/59/462377559.db2.gz DYHAHHVPTRSESF-UHFFFAOYSA-N 2 2 325.522 3.424 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269727 462378431 /nfs/dbraw/zinc/37/84/31/462378431.db2.gz LWNMIYOTPVZCAX-GQWLDOHISA-N 2 2 336.483 3.151 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269727 462378439 /nfs/dbraw/zinc/37/84/39/462378439.db2.gz LWNMIYOTPVZCAX-GQWLDOHISA-N 2 2 336.483 3.151 10 0 EGAELP Brc1cccc2c1OCCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277664 462381646 /nfs/dbraw/zinc/38/16/46/462381646.db2.gz HQRFDZWKOPZWCJ-OFWKBQFLSA-N 2 2 337.261 3.004 10 0 EGAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658117940 462394710 /nfs/dbraw/zinc/39/47/10/462394710.db2.gz XRTLWPAZBLBKFM-VUBSUSDNSA-N 2 2 343.471 3.089 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1F ZINC000658228474 462435870 /nfs/dbraw/zinc/43/58/70/462435870.db2.gz SLIGFNMAKDJLAJ-HOCLYGCPSA-N 2 2 335.467 3.362 10 0 EGAELP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199946 462469461 /nfs/dbraw/zinc/46/94/61/462469461.db2.gz IQCYTFSYPVQILK-UONOGXRCSA-N 2 2 345.443 3.034 10 0 EGAELP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199946 462469468 /nfs/dbraw/zinc/46/94/68/462469468.db2.gz IQCYTFSYPVQILK-UONOGXRCSA-N 2 2 345.443 3.034 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000652246027 462488300 /nfs/dbraw/zinc/48/83/00/462488300.db2.gz JUMXSHYKRVBPSW-HBGVWJBISA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000652246027 462488307 /nfs/dbraw/zinc/48/83/07/462488307.db2.gz JUMXSHYKRVBPSW-HBGVWJBISA-N 2 2 328.500 3.302 10 0 EGAELP CCc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000528141663 467675346 /nfs/dbraw/zinc/67/53/46/467675346.db2.gz UYIKDHKRNICARY-INIZCTEOSA-N 2 2 326.444 3.042 10 0 EGAELP CCc1nc(NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000528141663 467675348 /nfs/dbraw/zinc/67/53/48/467675348.db2.gz UYIKDHKRNICARY-INIZCTEOSA-N 2 2 326.444 3.042 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179621974 527733921 /nfs/dbraw/zinc/73/39/21/527733921.db2.gz RYWGYALECNILNY-QGZVFWFLSA-N 2 2 335.879 3.295 10 0 EGAELP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000246903056 536625950 /nfs/dbraw/zinc/62/59/50/536625950.db2.gz ULFZOTHGCCZZRY-YLJYHZDGSA-N 2 2 343.471 3.382 10 0 EGAELP COCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000246903056 536625957 /nfs/dbraw/zinc/62/59/57/536625957.db2.gz ULFZOTHGCCZZRY-YLJYHZDGSA-N 2 2 343.471 3.382 10 0 EGAELP COc1ccc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184765110 537042073 /nfs/dbraw/zinc/04/20/73/537042073.db2.gz KAHRUGOJMIGVTC-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP Cc1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000092255073 546672261 /nfs/dbraw/zinc/67/22/61/546672261.db2.gz MVEQTOFEXGOACM-UHFFFAOYSA-N 2 2 329.444 3.090 10 0 EGAELP Cc1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000092255073 546672268 /nfs/dbraw/zinc/67/22/68/546672268.db2.gz MVEQTOFEXGOACM-UHFFFAOYSA-N 2 2 329.444 3.090 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568678 /nfs/dbraw/zinc/56/86/78/547568678.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568681 /nfs/dbraw/zinc/56/86/81/547568681.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568686 /nfs/dbraw/zinc/56/86/86/547568686.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568689 /nfs/dbraw/zinc/56/86/89/547568689.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 3 2 333.545 3.347 10 0 EGAELP Cc1[nH+]c2ccc(Br)cc2c(NCc2c[nH+]cn2C)c1C ZINC000357590047 547738786 /nfs/dbraw/zinc/73/87/86/547738786.db2.gz DFUSFFMUOQHPOC-UHFFFAOYSA-N 2 2 345.244 3.382 10 0 EGAELP c1[nH]cc(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)[nH+]1 ZINC000374207319 547804831 /nfs/dbraw/zinc/80/48/31/547804831.db2.gz IUYLWEBREZKAHC-UHFFFAOYSA-N 2 2 337.427 3.272 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000675898292 549000034 /nfs/dbraw/zinc/00/00/34/549000034.db2.gz KWRWKWKHZLXQQM-UTKZUKDTSA-N 2 2 342.458 3.422 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000675898292 549000040 /nfs/dbraw/zinc/00/00/40/549000040.db2.gz KWRWKWKHZLXQQM-UTKZUKDTSA-N 2 2 342.458 3.422 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000678277812 549455421 /nfs/dbraw/zinc/45/54/21/549455421.db2.gz FICJOMONOJCLMS-YJBOKZPZSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000678277812 549455425 /nfs/dbraw/zinc/45/54/25/549455425.db2.gz FICJOMONOJCLMS-YJBOKZPZSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277812 549455427 /nfs/dbraw/zinc/45/54/27/549455427.db2.gz FICJOMONOJCLMS-YJBOKZPZSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277812 549455431 /nfs/dbraw/zinc/45/54/31/549455431.db2.gz FICJOMONOJCLMS-YJBOKZPZSA-N 2 2 346.906 3.499 10 0 EGAELP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000678597547 549527938 /nfs/dbraw/zinc/52/79/38/549527938.db2.gz IGJDEVSNOAHBON-IBGZPJMESA-N 2 2 331.504 3.231 10 0 EGAELP C[C@H](CCc1ccco1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045789 549624902 /nfs/dbraw/zinc/62/49/02/549624902.db2.gz XFHASDMELOWXOI-WIYYLYMNSA-N 2 2 342.483 3.217 10 0 EGAELP C[C@H](CCc1ccco1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045789 549624907 /nfs/dbraw/zinc/62/49/07/549624907.db2.gz XFHASDMELOWXOI-WIYYLYMNSA-N 2 2 342.483 3.217 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679728182 549769485 /nfs/dbraw/zinc/76/94/85/549769485.db2.gz KLUSETLKBPNNMQ-HUUCEWRRSA-N 2 2 341.459 3.109 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679728182 549769487 /nfs/dbraw/zinc/76/94/87/549769487.db2.gz KLUSETLKBPNNMQ-HUUCEWRRSA-N 2 2 341.459 3.109 10 0 EGAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000682030654 550063702 /nfs/dbraw/zinc/06/37/02/550063702.db2.gz HJMRYXRJMJTVOY-NRFANRHFSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000682030654 550063705 /nfs/dbraw/zinc/06/37/05/550063705.db2.gz HJMRYXRJMJTVOY-NRFANRHFSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000682030654 550063708 /nfs/dbraw/zinc/06/37/08/550063708.db2.gz HJMRYXRJMJTVOY-NRFANRHFSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000682030654 550063710 /nfs/dbraw/zinc/06/37/10/550063710.db2.gz HJMRYXRJMJTVOY-NRFANRHFSA-N 2 2 338.495 3.143 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000683022508 550179255 /nfs/dbraw/zinc/17/92/55/550179255.db2.gz JCHFOAZLTRFULY-UWJYYQICSA-N 2 2 335.451 3.435 10 0 EGAELP OC[C@@]1([NH2+]C2CCC3(CC3)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000683107506 550191286 /nfs/dbraw/zinc/19/12/86/550191286.db2.gz MFBJMFMEJAFHCN-OAQYLSRUSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@@]1([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000683107506 550191288 /nfs/dbraw/zinc/19/12/88/550191288.db2.gz MFBJMFMEJAFHCN-OAQYLSRUSA-N 2 2 328.500 3.326 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000685448926 550417773 /nfs/dbraw/zinc/41/77/73/550417773.db2.gz IJDZYGRSVKOJEX-QIJUGHKUSA-N 2 2 338.495 3.090 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000685448926 550417774 /nfs/dbraw/zinc/41/77/74/550417774.db2.gz IJDZYGRSVKOJEX-QIJUGHKUSA-N 2 2 338.495 3.090 10 0 EGAELP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246432627 1296353744 /nfs/dbraw/zinc/35/37/44/1296353744.db2.gz DGNNOCRTGLFIEI-DNVCBOLYSA-N 2 2 339.418 3.426 10 0 EGAELP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246432627 1296353758 /nfs/dbraw/zinc/35/37/58/1296353758.db2.gz DGNNOCRTGLFIEI-DNVCBOLYSA-N 2 2 339.418 3.426 10 0 EGAELP CC[NH+]1CCC([NH+]2CCC(c3nc(-c4ccsc4)no3)CC2)CC1 ZINC000585133546 1298037245 /nfs/dbraw/zinc/03/72/45/1298037245.db2.gz LQHUUPNHKJXKGN-UHFFFAOYSA-N 2 2 346.500 3.462 10 0 EGAELP O[C@]1(C[NH2+]Cc2cccc(F)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000702573694 1298195962 /nfs/dbraw/zinc/19/59/62/1298195962.db2.gz MTYUAGYHUIANQS-IBGZPJMESA-N 2 2 348.849 3.206 10 0 EGAELP O[C@]1(C[NH2+]Cc2cccc(F)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000702573694 1298195971 /nfs/dbraw/zinc/19/59/71/1298195971.db2.gz MTYUAGYHUIANQS-IBGZPJMESA-N 2 2 348.849 3.206 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261875 1301009028 /nfs/dbraw/zinc/00/90/28/1301009028.db2.gz ZITMSZTUBALQRD-GOSISDBHSA-N 2 2 347.466 3.037 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261875 1301009040 /nfs/dbraw/zinc/00/90/40/1301009040.db2.gz ZITMSZTUBALQRD-GOSISDBHSA-N 2 2 347.466 3.037 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cccc3c2OCO3)c2cccc[nH+]2)CC1 ZINC000895111148 1309195056 /nfs/dbraw/zinc/19/50/56/1309195056.db2.gz NRXQRACUKLCJJT-WKILWMFISA-N 2 2 325.412 3.087 10 0 EGAELP C[C@H](Cc1ccc(O)cc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112231 1309197077 /nfs/dbraw/zinc/19/70/77/1309197077.db2.gz OYQJVJODJGEJKQ-KBAYOESNSA-N 2 2 325.456 3.495 10 0 EGAELP O[C@H]1C[C@](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)(c2ccccc2)C1 ZINC000922531531 1322550708 /nfs/dbraw/zinc/55/07/08/1322550708.db2.gz QIWMJWVDYDEWPJ-UAPYVXQJSA-N 2 2 339.464 3.116 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852136 1323188469 /nfs/dbraw/zinc/18/84/69/1323188469.db2.gz IAYVNEMJHHFORX-APWZRJJASA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852136 1323188473 /nfs/dbraw/zinc/18/84/73/1323188473.db2.gz IAYVNEMJHHFORX-APWZRJJASA-N 2 2 325.456 3.493 10 0 EGAELP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924952008 1323225702 /nfs/dbraw/zinc/22/57/02/1323225702.db2.gz MMKCMIGJPHXQAX-IRXDYDNUSA-N 2 2 339.474 3.030 10 0 EGAELP COc1ccc2c(c1)C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC000931707851 1329168003 /nfs/dbraw/zinc/16/80/03/1329168003.db2.gz URAGAJUPULGNBJ-WOJBJXKFSA-N 2 2 349.434 3.226 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1C(F)(F)F ZINC000925485524 1325171509 /nfs/dbraw/zinc/17/15/09/1325171509.db2.gz NYXXJZIHJFAEJR-HUUCEWRRSA-N 2 2 328.378 3.003 10 0 EGAELP O=C(Nc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1)c1ccco1 ZINC000925494449 1325176579 /nfs/dbraw/zinc/17/65/79/1325176579.db2.gz UMORBIDQRPSVLB-SFHVURJKSA-N 2 2 339.439 3.296 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518364 1325187359 /nfs/dbraw/zinc/18/73/59/1325187359.db2.gz QEHFGABXSUFSOB-SJLPKXTDSA-N 3 2 344.547 3.217 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565227 1325212159 /nfs/dbraw/zinc/21/21/59/1325212159.db2.gz YLGPRENPNMZXHC-AZUAARDMSA-N 3 2 329.532 3.455 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925595216 1325225685 /nfs/dbraw/zinc/22/56/85/1325225685.db2.gz SIXHYXYNTRTBJP-BSIFCXSSSA-N 2 2 343.515 3.402 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925595219 1325226431 /nfs/dbraw/zinc/22/64/31/1325226431.db2.gz SIXHYXYNTRTBJP-PBEJRMEISA-N 2 2 343.515 3.402 10 0 EGAELP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCC3)cc1 ZINC000925783066 1325300587 /nfs/dbraw/zinc/30/05/87/1325300587.db2.gz CEFWRRVFDRBNOH-SRCQZFHVSA-N 2 2 343.496 3.394 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cccc(C[NH+](C)C)c1 ZINC000925999420 1325384098 /nfs/dbraw/zinc/38/40/98/1325384098.db2.gz AUMJOFYBTMQKDY-OAHLLOKOSA-N 2 2 335.455 3.384 10 0 EGAELP c1ccc(N2CCC([NH2+]CCc3cnc4ccccc4c3)CC2)[nH+]c1 ZINC000926921327 1327777501 /nfs/dbraw/zinc/77/75/01/1327777501.db2.gz XFPANONSUYPYGP-UHFFFAOYSA-N 2 2 332.451 3.431 10 0 EGAELP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866236598 1330082718 /nfs/dbraw/zinc/08/27/18/1330082718.db2.gz DHTDRFIMGTURMV-UYAOXDASSA-N 2 2 344.430 3.188 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866392396 1330105765 /nfs/dbraw/zinc/10/57/65/1330105765.db2.gz CILAXXJNLVEKFB-OCCSQVGLSA-N 2 2 349.862 3.385 10 0 EGAELP CC/C=C(/F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866958841 1330160924 /nfs/dbraw/zinc/16/09/24/1330160924.db2.gz WHNRMWMBGUPUMV-SXCOKSGKSA-N 2 2 339.499 3.045 10 0 EGAELP CC/C=C(/F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866958841 1330160925 /nfs/dbraw/zinc/16/09/25/1330160925.db2.gz WHNRMWMBGUPUMV-SXCOKSGKSA-N 2 2 339.499 3.045 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001323668784 1387421137 /nfs/dbraw/zinc/42/11/37/1387421137.db2.gz DLNZMHGOUSBBBT-AYHJJNSGSA-N 2 2 346.519 3.045 10 0 EGAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001323945742 1387499132 /nfs/dbraw/zinc/49/91/32/1387499132.db2.gz FSUMPIWHFCRPKE-WAYWQWQTSA-N 2 2 326.444 3.066 10 0 EGAELP CCCCCC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001324030797 1387514036 /nfs/dbraw/zinc/51/40/36/1387514036.db2.gz OMYBWARUEGPRGS-IBGZPJMESA-N 2 2 331.504 3.012 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001324068892 1387527112 /nfs/dbraw/zinc/52/71/12/1387527112.db2.gz WDCVQRSXEWJUPD-YJBOKZPZSA-N 2 2 347.503 3.038 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001324068889 1387527358 /nfs/dbraw/zinc/52/73/58/1387527358.db2.gz WDCVQRSXEWJUPD-CRAIPNDOSA-N 2 2 347.503 3.038 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001324504730 1387654862 /nfs/dbraw/zinc/65/48/62/1387654862.db2.gz DUXWYXULABFBPW-IBGZPJMESA-N 2 2 344.503 3.107 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324961193 1387856119 /nfs/dbraw/zinc/85/61/19/1387856119.db2.gz POMRDQDFDKVQGI-HKUYNNGSSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324961193 1387856129 /nfs/dbraw/zinc/85/61/29/1387856129.db2.gz POMRDQDFDKVQGI-HKUYNNGSSA-N 2 2 332.492 3.019 10 0 EGAELP c1ccc(C[NH+]2CCC[N@@H+](CCOCC3CCC3)CCOCC2)cc1 ZINC001198141387 1368967308 /nfs/dbraw/zinc/96/73/08/1368967308.db2.gz ZYVHYODJNMLWSE-UHFFFAOYSA-N 2 2 346.515 3.028 10 0 EGAELP c1ccc(C[NH+]2CCC[N@H+](CCOCC3CCC3)CCOCC2)cc1 ZINC001198141387 1368967314 /nfs/dbraw/zinc/96/73/14/1368967314.db2.gz ZYVHYODJNMLWSE-UHFFFAOYSA-N 2 2 346.515 3.028 10 0 EGAELP c1ccc(C[N@H+]2CCC[NH+](CCOCC3CCC3)CCOCC2)cc1 ZINC001198141387 1368967318 /nfs/dbraw/zinc/96/73/18/1368967318.db2.gz ZYVHYODJNMLWSE-UHFFFAOYSA-N 2 2 346.515 3.028 10 0 EGAELP c1ccc(C[N@@H+]2CCC[NH+](CCOCC3CCC3)CCOCC2)cc1 ZINC001198141387 1368967323 /nfs/dbraw/zinc/96/73/23/1368967323.db2.gz ZYVHYODJNMLWSE-UHFFFAOYSA-N 2 2 346.515 3.028 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001325542058 1387999671 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CC(C)CCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001698967462 1406727356 /nfs/dbraw/zinc/72/73/56/1406727356.db2.gz LWFUWVPFBSSBSE-MRXNPFEDSA-N 2 2 330.476 3.115 10 0 EGAELP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482452734 1395010996 /nfs/dbraw/zinc/01/09/96/1395010996.db2.gz HDLCBZHCFYOZDV-CVEARBPZSA-N 2 2 346.450 3.057 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001483908231 1395139316 /nfs/dbraw/zinc/13/93/16/1395139316.db2.gz FUWMZRKSTHFHFH-DLBZAZTESA-N 2 2 342.487 3.497 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@]2(C)CCC[N@@H+](CCC(C)C)C2)c[nH+]1 ZINC001484163695 1395298211 /nfs/dbraw/zinc/29/82/11/1395298211.db2.gz NDVQMUGIQSTXBH-FQEVSTJZSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@]2(C)CCC[N@H+](CCC(C)C)C2)c[nH+]1 ZINC001484163695 1395298215 /nfs/dbraw/zinc/29/82/15/1395298215.db2.gz NDVQMUGIQSTXBH-FQEVSTJZSA-N 2 2 348.535 3.191 10 0 EGAELP C[C@@H](CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170699 1395311085 /nfs/dbraw/zinc/31/10/85/1395311085.db2.gz WIKYRPXZASVBRD-FXAWDEMLSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170699 1395311095 /nfs/dbraw/zinc/31/10/95/1395311095.db2.gz WIKYRPXZASVBRD-FXAWDEMLSA-N 2 2 346.519 3.243 10 0 EGAELP CCC(CC)C[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485095791 1395657880 /nfs/dbraw/zinc/65/78/80/1395657880.db2.gz DGWMHHWNRUJHQI-UHFFFAOYSA-N 2 2 328.460 3.097 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485221493 1395716285 /nfs/dbraw/zinc/71/62/85/1395716285.db2.gz ZYMDISVIQQVITN-SJORKVTESA-N 2 2 348.535 3.196 10 0 EGAELP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992711 1406784750 /nfs/dbraw/zinc/78/47/50/1406784750.db2.gz FPZROPQMWSQZQY-UHFFFAOYSA-N 2 2 342.487 3.312 10 0 EGAELP CN(CC[N@@H+](C)CCC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992711 1406784753 /nfs/dbraw/zinc/78/47/53/1406784753.db2.gz FPZROPQMWSQZQY-UHFFFAOYSA-N 2 2 342.487 3.312 10 0 EGAELP CC[C@@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485723196 1396117845 /nfs/dbraw/zinc/11/78/45/1396117845.db2.gz YVODVLHXJHKUPS-HUUCEWRRSA-N 2 2 330.476 3.177 10 0 EGAELP CC[NH2+]CCC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001485779021 1396149203 /nfs/dbraw/zinc/14/92/03/1396149203.db2.gz SHKJRQJDOQWVIM-QGZVFWFLSA-N 2 2 336.439 3.424 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001501389611 1396192861 /nfs/dbraw/zinc/19/28/61/1396192861.db2.gz AOMGZHOFXVTLCX-QXAKKESOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001501389611 1396192863 /nfs/dbraw/zinc/19/28/63/1396192863.db2.gz AOMGZHOFXVTLCX-QXAKKESOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001501389611 1396192865 /nfs/dbraw/zinc/19/28/65/1396192865.db2.gz AOMGZHOFXVTLCX-QXAKKESOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001501389611 1396192866 /nfs/dbraw/zinc/19/28/66/1396192866.db2.gz AOMGZHOFXVTLCX-QXAKKESOSA-N 2 2 346.519 3.090 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146420 1396382964 /nfs/dbraw/zinc/38/29/64/1396382964.db2.gz RHFCCNAOOMZAJE-FZGCCYDFSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146420 1396382972 /nfs/dbraw/zinc/38/29/72/1396382972.db2.gz RHFCCNAOOMZAJE-FZGCCYDFSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146420 1396382974 /nfs/dbraw/zinc/38/29/74/1396382974.db2.gz RHFCCNAOOMZAJE-FZGCCYDFSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146420 1396382980 /nfs/dbraw/zinc/38/29/80/1396382980.db2.gz RHFCCNAOOMZAJE-FZGCCYDFSA-N 2 2 344.503 3.040 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689052993 1396849590 /nfs/dbraw/zinc/84/95/90/1396849590.db2.gz TUKGQLWSYFVPSI-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCCC(C)(C)C ZINC001690606874 1404650077 /nfs/dbraw/zinc/65/00/77/1404650077.db2.gz WMWIADNLTCQPGA-INIZCTEOSA-N 2 2 342.487 3.407 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)c(C)[nH+]1 ZINC001690902780 1404811401 /nfs/dbraw/zinc/81/14/01/1404811401.db2.gz BQSQOMYJOLMXCQ-GOSISDBHSA-N 2 2 329.488 3.391 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC2)c(C)[nH+]1 ZINC001690902780 1404811405 /nfs/dbraw/zinc/81/14/05/1404811405.db2.gz BQSQOMYJOLMXCQ-GOSISDBHSA-N 2 2 329.488 3.391 10 0 EGAELP CC1CCC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690919544 1404829270 /nfs/dbraw/zinc/82/92/70/1404829270.db2.gz RZEUPFPBBPPHDV-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690919544 1404829274 /nfs/dbraw/zinc/82/92/74/1404829274.db2.gz RZEUPFPBBPPHDV-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001690950369 1404859224 /nfs/dbraw/zinc/85/92/24/1404859224.db2.gz WATHERZQZTUBEE-SFHVURJKSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001690950369 1404859230 /nfs/dbraw/zinc/85/92/30/1404859230.db2.gz WATHERZQZTUBEE-SFHVURJKSA-N 2 2 346.519 3.099 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691304580 1405198516 /nfs/dbraw/zinc/19/85/16/1405198516.db2.gz CKXODJZNESOQEM-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691470363 1405288953 /nfs/dbraw/zinc/28/89/53/1405288953.db2.gz GTGXTNPVKYHYIG-RYQLBKOJSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691470363 1405288957 /nfs/dbraw/zinc/28/89/57/1405288957.db2.gz GTGXTNPVKYHYIG-RYQLBKOJSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001691625268 1405363591 /nfs/dbraw/zinc/36/35/91/1405363591.db2.gz FHBCOAOGSTUNQK-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1=CCCCC1 ZINC001691732832 1405455472 /nfs/dbraw/zinc/45/54/72/1405455472.db2.gz MZYYSAGUOAWFGH-QZTJIDSGSA-N 2 2 344.503 3.230 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1=CCCCC1 ZINC001691732832 1405455473 /nfs/dbraw/zinc/45/54/73/1405455473.db2.gz MZYYSAGUOAWFGH-QZTJIDSGSA-N 2 2 344.503 3.230 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1=CCCCC1 ZINC001691732832 1405455478 /nfs/dbraw/zinc/45/54/78/1405455478.db2.gz MZYYSAGUOAWFGH-QZTJIDSGSA-N 2 2 344.503 3.230 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1=CCCCC1 ZINC001691732832 1405455481 /nfs/dbraw/zinc/45/54/81/1405455481.db2.gz MZYYSAGUOAWFGH-QZTJIDSGSA-N 2 2 344.503 3.230 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691890090 1405613515 /nfs/dbraw/zinc/61/35/15/1405613515.db2.gz UEVVGAGFYVDNKV-GOEBONIOSA-N 2 2 328.460 3.097 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001692120663 1405782649 /nfs/dbraw/zinc/78/26/49/1405782649.db2.gz IMAOZAOQNAMRHM-GOSISDBHSA-N 2 2 348.535 3.478 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001692209817 1405845236 /nfs/dbraw/zinc/84/52/36/1405845236.db2.gz LDGGUTAWFMBSJY-MRXNPFEDSA-N 2 2 343.515 3.201 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001692209817 1405845242 /nfs/dbraw/zinc/84/52/42/1405845242.db2.gz LDGGUTAWFMBSJY-MRXNPFEDSA-N 2 2 343.515 3.201 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001692280501 1405916876 /nfs/dbraw/zinc/91/68/76/1405916876.db2.gz XBLCUYUVDUPBGU-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001692280501 1405916878 /nfs/dbraw/zinc/91/68/78/1405916878.db2.gz XBLCUYUVDUPBGU-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001732072644 1428321949 /nfs/dbraw/zinc/32/19/49/1428321949.db2.gz FXFLNIAPHOLAAO-KZNAEPCWSA-N 2 2 346.519 3.027 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001732072644 1428321955 /nfs/dbraw/zinc/32/19/55/1428321955.db2.gz FXFLNIAPHOLAAO-KZNAEPCWSA-N 2 2 346.519 3.027 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076956 1428328773 /nfs/dbraw/zinc/32/87/73/1428328773.db2.gz UPMKTGDVJOVULW-MJGOQNOKSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076956 1428328778 /nfs/dbraw/zinc/32/87/78/1428328778.db2.gz UPMKTGDVJOVULW-MJGOQNOKSA-N 2 2 346.519 3.195 10 0 EGAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001732230528 1428477380 /nfs/dbraw/zinc/47/73/80/1428477380.db2.gz FZNXAMQIONPTDR-SFHVURJKSA-N 2 2 346.519 3.455 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001732422478 1428574765 /nfs/dbraw/zinc/57/47/65/1428574765.db2.gz GQKSLEYBNDQSSB-IEBWSBKVSA-N 2 2 346.519 3.407 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733657904 1429849640 /nfs/dbraw/zinc/84/96/40/1429849640.db2.gz HGKHHQBJEWVHMN-KDOFPFPSSA-N 2 2 331.504 3.495 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732529402 1428649802 /nfs/dbraw/zinc/64/98/02/1428649802.db2.gz LWYOHTSZPDEJLM-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001699119235 1412519573 /nfs/dbraw/zinc/51/95/73/1412519573.db2.gz LMXGASKRPCZPCP-QAPCUYQASA-N 2 2 347.503 3.064 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001699655675 1413038040 /nfs/dbraw/zinc/03/80/40/1413038040.db2.gz QGZBASZYXVRYAP-SFHVURJKSA-N 2 2 344.503 3.209 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700018397 1413464887 /nfs/dbraw/zinc/46/48/87/1413464887.db2.gz YLKRNDVGBNOXLQ-DLBZAZTESA-N 2 2 346.519 3.189 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700018397 1413464889 /nfs/dbraw/zinc/46/48/89/1413464889.db2.gz YLKRNDVGBNOXLQ-DLBZAZTESA-N 2 2 346.519 3.189 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001700281328 1413726567 /nfs/dbraw/zinc/72/65/67/1413726567.db2.gz RYURXBJFPFOLLH-SFHVURJKSA-N 2 2 346.519 3.241 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001700345130 1413832274 /nfs/dbraw/zinc/83/22/74/1413832274.db2.gz DHSGVKCRAAMMJT-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP Cc1cccc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC001732570127 1428764386 /nfs/dbraw/zinc/76/43/86/1428764386.db2.gz RNJLUVVGGJGRPI-MJGOQNOKSA-N 2 2 342.487 3.073 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700408806 1413948567 /nfs/dbraw/zinc/94/85/67/1413948567.db2.gz MTGCMBLSROXJAY-NGXUEJOTSA-N 2 2 348.450 3.144 10 0 EGAELP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464473 1414068228 /nfs/dbraw/zinc/06/82/28/1414068228.db2.gz SRPDYHLJNBQGSY-XHPSBEMXSA-N 2 2 328.460 3.049 10 0 EGAELP CC/C=C\CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464473 1414068234 /nfs/dbraw/zinc/06/82/34/1414068234.db2.gz SRPDYHLJNBQGSY-XHPSBEMXSA-N 2 2 328.460 3.049 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC001700483786 1414125747 /nfs/dbraw/zinc/12/57/47/1414125747.db2.gz IVAVRNWJUGPCHR-HNNXBMFYSA-N 2 2 342.487 3.021 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC001700483786 1414125749 /nfs/dbraw/zinc/12/57/49/1414125749.db2.gz IVAVRNWJUGPCHR-HNNXBMFYSA-N 2 2 342.487 3.021 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001700520635 1414175174 /nfs/dbraw/zinc/17/51/74/1414175174.db2.gz HZWHFJIEXULLAB-UHFFFAOYSA-N 2 2 344.503 3.170 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700802172 1414468108 /nfs/dbraw/zinc/46/81/08/1414468108.db2.gz UGZKTLMPAASSDN-HOTGVXAUSA-N 2 2 342.487 3.193 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001700863013 1414512635 /nfs/dbraw/zinc/51/26/35/1414512635.db2.gz LTNJISTVBAFCPQ-DLWHFJQYSA-N 2 2 344.503 3.304 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001700863013 1414512639 /nfs/dbraw/zinc/51/26/39/1414512639.db2.gz LTNJISTVBAFCPQ-DLWHFJQYSA-N 2 2 344.503 3.304 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001732699284 1428915561 /nfs/dbraw/zinc/91/55/61/1428915561.db2.gz QTWSQLCULVLHCG-IRXDYDNUSA-N 2 2 342.487 3.205 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001732699284 1428915565 /nfs/dbraw/zinc/91/55/65/1428915565.db2.gz QTWSQLCULVLHCG-IRXDYDNUSA-N 2 2 342.487 3.205 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001707065926 1417180362 /nfs/dbraw/zinc/18/03/62/1417180362.db2.gz HNEZPWFTVBIQNI-NXHRZFHOSA-N 2 2 348.535 3.093 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001707123069 1417210155 /nfs/dbraw/zinc/21/01/55/1417210155.db2.gz CLYUURKLIXSZEB-KRWDZBQOSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001707138881 1417218519 /nfs/dbraw/zinc/21/85/19/1417218519.db2.gz JUOGJQAXJBUOHF-MJGOQNOKSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713144171 1417726760 /nfs/dbraw/zinc/72/67/60/1417726760.db2.gz UUBINHSCRYFUHT-KURKYZTESA-N 2 2 332.492 3.090 10 0 EGAELP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713144171 1417726762 /nfs/dbraw/zinc/72/67/62/1417726762.db2.gz UUBINHSCRYFUHT-KURKYZTESA-N 2 2 332.492 3.090 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713825774 1418625967 /nfs/dbraw/zinc/62/59/67/1418625967.db2.gz ZUAKDKWERHKGHU-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713825774 1418625969 /nfs/dbraw/zinc/62/59/69/1418625969.db2.gz ZUAKDKWERHKGHU-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]C/C=C\Cl)CCCC3)ccn12 ZINC001714134172 1418936845 /nfs/dbraw/zinc/93/68/45/1418936845.db2.gz YQFILVZGTPQIND-YWEYNIOJSA-N 2 2 346.862 3.027 10 0 EGAELP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714402044 1419144874 /nfs/dbraw/zinc/14/48/74/1419144874.db2.gz AVSMSXSUTNVFSC-SJORKVTESA-N 2 2 334.508 3.134 10 0 EGAELP CC(C)(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714403414 1419145794 /nfs/dbraw/zinc/14/57/94/1419145794.db2.gz MVEFWISEASUIOF-HOTGVXAUSA-N 2 2 342.487 3.401 10 0 EGAELP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443253 1419175609 /nfs/dbraw/zinc/17/56/09/1419175609.db2.gz YJDVJSLTALBAIB-OALUTQOASA-N 2 2 346.519 3.359 10 0 EGAELP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443253 1419175612 /nfs/dbraw/zinc/17/56/12/1419175612.db2.gz YJDVJSLTALBAIB-OALUTQOASA-N 2 2 346.519 3.359 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001714457938 1419190182 /nfs/dbraw/zinc/19/01/82/1419190182.db2.gz ZPAMEVPQKQUNSM-RHSMWYFYSA-N 2 2 348.878 3.030 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CC2CCC(C)(C)CC2)c[nH+]1 ZINC001714556156 1419283841 /nfs/dbraw/zinc/28/38/41/1419283841.db2.gz XECFVDUYJSPYRM-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)CC2CCC(C)(C)CC2)c[nH+]1 ZINC001714556156 1419283842 /nfs/dbraw/zinc/28/38/42/1419283842.db2.gz XECFVDUYJSPYRM-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001714622021 1419389072 /nfs/dbraw/zinc/38/90/72/1419389072.db2.gz PWFWOLSQKHYXDY-PKOBYXMFSA-N 2 2 344.503 3.305 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001714622021 1419389076 /nfs/dbraw/zinc/38/90/76/1419389076.db2.gz PWFWOLSQKHYXDY-PKOBYXMFSA-N 2 2 344.503 3.305 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001714723198 1419483885 /nfs/dbraw/zinc/48/38/85/1419483885.db2.gz ROJADAWFCPFHLM-IEBWSBKVSA-N 2 2 342.487 3.280 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)CC(C)C)c(C)[nH+]1 ZINC001714920876 1419673048 /nfs/dbraw/zinc/67/30/48/1419673048.db2.gz GOENOSFATULIHE-WMLDXEAASA-N 2 2 337.483 3.489 10 0 EGAELP C[C@H](CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1)n1cc[nH+]c1 ZINC001715107107 1419849149 /nfs/dbraw/zinc/84/91/49/1419849149.db2.gz VZXQTNODZZVCDM-OAHLLOKOSA-N 2 2 346.500 3.115 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001715466674 1420146317 /nfs/dbraw/zinc/14/63/17/1420146317.db2.gz XGUHPUHHZJDTPV-RDJZCZTQSA-N 2 2 348.535 3.304 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001716030176 1420488244 /nfs/dbraw/zinc/48/82/44/1420488244.db2.gz DRMFIVILFHGLRB-DZGCQCFKSA-N 2 2 348.878 3.043 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001716030176 1420488246 /nfs/dbraw/zinc/48/82/46/1420488246.db2.gz DRMFIVILFHGLRB-DZGCQCFKSA-N 2 2 348.878 3.043 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001716175911 1420552018 /nfs/dbraw/zinc/55/20/18/1420552018.db2.gz ABMHEAYCAXHJSR-LSDHHAIUSA-N 2 2 348.878 3.172 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001716200540 1420563734 /nfs/dbraw/zinc/56/37/34/1420563734.db2.gz PLPXRBZJHHXAGK-AOCRQIFASA-N 2 2 348.535 3.220 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)ccn12 ZINC001716436725 1420657652 /nfs/dbraw/zinc/65/76/52/1420657652.db2.gz HUIQHMGTHCAXAS-AWEZNQCLSA-N 2 2 330.476 3.177 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001716520365 1420748971 /nfs/dbraw/zinc/74/89/71/1420748971.db2.gz LCHDGTWJRPPEKS-IRXDYDNUSA-N 2 2 348.535 3.352 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001716571143 1420764169 /nfs/dbraw/zinc/76/41/69/1420764169.db2.gz UVWNXTVQGWSVFR-IAGOWNOFSA-N 2 2 328.460 3.034 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716707013 1420861151 /nfs/dbraw/zinc/86/11/51/1420861151.db2.gz KAJOHPTVVHFAMA-PYWTVGQWSA-N 2 2 344.503 3.205 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716707013 1420861153 /nfs/dbraw/zinc/86/11/53/1420861153.db2.gz KAJOHPTVVHFAMA-PYWTVGQWSA-N 2 2 344.503 3.205 10 0 EGAELP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001716715277 1420871197 /nfs/dbraw/zinc/87/11/97/1420871197.db2.gz RMWJEDBGZICJNJ-UHFFFAOYSA-N 2 2 346.519 3.046 10 0 EGAELP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001716715277 1420871198 /nfs/dbraw/zinc/87/11/98/1420871198.db2.gz RMWJEDBGZICJNJ-UHFFFAOYSA-N 2 2 346.519 3.046 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001716876645 1421002183 /nfs/dbraw/zinc/00/21/83/1421002183.db2.gz SUHKXBNTMVRXOP-FXAWDEMLSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030190 1421083791 /nfs/dbraw/zinc/08/37/91/1421083791.db2.gz BSQYOMDHBCNNBR-IPMKNSEASA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030190 1421083793 /nfs/dbraw/zinc/08/37/93/1421083793.db2.gz BSQYOMDHBCNNBR-IPMKNSEASA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030188 1421084201 /nfs/dbraw/zinc/08/42/01/1421084201.db2.gz BSQYOMDHBCNNBR-GBESFXJTSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030188 1421084204 /nfs/dbraw/zinc/08/42/04/1421084204.db2.gz BSQYOMDHBCNNBR-GBESFXJTSA-N 2 2 346.519 3.192 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001717330938 1421265840 /nfs/dbraw/zinc/26/58/40/1421265840.db2.gz BRMYRUZZNHAFHU-ZBFHGGJFSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001717330938 1421265842 /nfs/dbraw/zinc/26/58/42/1421265842.db2.gz BRMYRUZZNHAFHU-ZBFHGGJFSA-N 2 2 328.460 3.336 10 0 EGAELP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCC1 ZINC001717333934 1421270334 /nfs/dbraw/zinc/27/03/34/1421270334.db2.gz NTJBRVRDHAIBFJ-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCC1CCCCC1 ZINC001717333934 1421270335 /nfs/dbraw/zinc/27/03/35/1421270335.db2.gz NTJBRVRDHAIBFJ-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001717375903 1421317115 /nfs/dbraw/zinc/31/71/15/1421317115.db2.gz GFFNQNBNJPKEAU-QGZVFWFLSA-N 2 2 334.508 3.022 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001717375903 1421317116 /nfs/dbraw/zinc/31/71/16/1421317116.db2.gz GFFNQNBNJPKEAU-QGZVFWFLSA-N 2 2 334.508 3.022 10 0 EGAELP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1Cl ZINC001717696017 1421570239 /nfs/dbraw/zinc/57/02/39/1421570239.db2.gz AOHBVXAEFZSKAS-LSDHHAIUSA-N 2 2 348.878 3.172 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C ZINC001717952332 1421723381 /nfs/dbraw/zinc/72/33/81/1421723381.db2.gz SYRDIRNLSREMQA-UHFFFAOYSA-N 2 2 346.519 3.010 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)CC1CC2(CCC2)C1)C(C)C ZINC001717952332 1421723382 /nfs/dbraw/zinc/72/33/82/1421723382.db2.gz SYRDIRNLSREMQA-UHFFFAOYSA-N 2 2 346.519 3.010 10 0 EGAELP CC1CCC(C[NH2+]C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C)CC1 ZINC001717959417 1421730926 /nfs/dbraw/zinc/73/09/26/1421730926.db2.gz CQDBXRYZYKSXIN-LEOMRAHMSA-N 2 2 348.535 3.289 10 0 EGAELP CC1CCC(C[NH2+]C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C)CC1 ZINC001717959417 1421730930 /nfs/dbraw/zinc/73/09/30/1421730930.db2.gz CQDBXRYZYKSXIN-LEOMRAHMSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@H+](CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001718028375 1421781293 /nfs/dbraw/zinc/78/12/93/1421781293.db2.gz BKJZQTJITVFWMO-QGZVFWFLSA-N 2 2 342.487 3.083 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@@H+](CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001718028375 1421781294 /nfs/dbraw/zinc/78/12/94/1421781294.db2.gz BKJZQTJITVFWMO-QGZVFWFLSA-N 2 2 342.487 3.083 10 0 EGAELP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001733392355 1429582437 /nfs/dbraw/zinc/58/24/37/1429582437.db2.gz CMEADQHHKIQRHY-HXUWFJFHSA-N 2 2 346.519 3.168 10 0 EGAELP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001733392355 1429582440 /nfs/dbraw/zinc/58/24/40/1429582440.db2.gz CMEADQHHKIQRHY-HXUWFJFHSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692351 1424533080 /nfs/dbraw/zinc/53/30/80/1424533080.db2.gz YFQAAFGDSYTFIT-QUCCMNQESA-N 2 2 346.519 3.339 10 0 EGAELP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692351 1424533082 /nfs/dbraw/zinc/53/30/82/1424533082.db2.gz YFQAAFGDSYTFIT-QUCCMNQESA-N 2 2 346.519 3.339 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529299 1429736330 /nfs/dbraw/zinc/73/63/30/1429736330.db2.gz UBQKSXKCJDOAOX-GJZGRUSLSA-N 2 2 328.460 3.049 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724551247 1424907776 /nfs/dbraw/zinc/90/77/76/1424907776.db2.gz ADXDVJQRZHENQQ-PMKBXARWSA-N 2 2 346.519 3.260 10 0 EGAELP CCC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001724751839 1425121742 /nfs/dbraw/zinc/12/17/42/1425121742.db2.gz XNAIVNXSSQUTRI-MRXNPFEDSA-N 2 2 342.487 3.304 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001724997433 1425403368 /nfs/dbraw/zinc/40/33/68/1425403368.db2.gz SHYMHJPQIQDKIR-AEFFLSMTSA-N 2 2 347.503 3.182 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001724997433 1425403373 /nfs/dbraw/zinc/40/33/73/1425403373.db2.gz SHYMHJPQIQDKIR-AEFFLSMTSA-N 2 2 347.503 3.182 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001725088537 1425530031 /nfs/dbraw/zinc/53/00/31/1425530031.db2.gz DVAWBDBAYCQMGL-HZPDHXFCSA-N 2 2 336.524 3.236 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725094605 1425538235 /nfs/dbraw/zinc/53/82/35/1425538235.db2.gz LSAIMJQXMAFHAQ-CNBITHIKSA-N 2 2 328.460 3.406 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243634 1425855854 /nfs/dbraw/zinc/85/58/54/1425855854.db2.gz YOWHDXBFSZWMLU-RBUKOAKNSA-N 2 2 349.494 3.010 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243634 1425855867 /nfs/dbraw/zinc/85/58/67/1425855867.db2.gz YOWHDXBFSZWMLU-RBUKOAKNSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCF)c1ccccc1 ZINC001725243634 1425855871 /nfs/dbraw/zinc/85/58/71/1425855871.db2.gz YOWHDXBFSZWMLU-RBUKOAKNSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCF)c1ccccc1 ZINC001725243634 1425855875 /nfs/dbraw/zinc/85/58/75/1425855875.db2.gz YOWHDXBFSZWMLU-RBUKOAKNSA-N 2 2 349.494 3.010 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)C)c[nH+]1 ZINC001725244574 1425859091 /nfs/dbraw/zinc/85/90/91/1425859091.db2.gz TYXORLWGNAKUKC-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)C)c[nH+]1 ZINC001725244574 1425859100 /nfs/dbraw/zinc/85/91/00/1425859100.db2.gz TYXORLWGNAKUKC-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001725819002 1426494321 /nfs/dbraw/zinc/49/43/21/1426494321.db2.gz ZHVGTDWYADWHMF-UBZMYNMCSA-N 2 2 342.487 3.008 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001725819002 1426494324 /nfs/dbraw/zinc/49/43/24/1426494324.db2.gz ZHVGTDWYADWHMF-UBZMYNMCSA-N 2 2 342.487 3.008 10 0 EGAELP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001725819002 1426494327 /nfs/dbraw/zinc/49/43/27/1426494327.db2.gz ZHVGTDWYADWHMF-UBZMYNMCSA-N 2 2 342.487 3.008 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001725819002 1426494329 /nfs/dbraw/zinc/49/43/29/1426494329.db2.gz ZHVGTDWYADWHMF-UBZMYNMCSA-N 2 2 342.487 3.008 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824794 1426499622 /nfs/dbraw/zinc/49/96/22/1426499622.db2.gz JEODMBIKYHTSSZ-INIZCTEOSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001725824794 1426499626 /nfs/dbraw/zinc/49/96/26/1426499626.db2.gz JEODMBIKYHTSSZ-INIZCTEOSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824794 1426499631 /nfs/dbraw/zinc/49/96/31/1426499631.db2.gz JEODMBIKYHTSSZ-INIZCTEOSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001725824794 1426499637 /nfs/dbraw/zinc/49/96/37/1426499637.db2.gz JEODMBIKYHTSSZ-INIZCTEOSA-N 2 2 346.519 3.163 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731267502 1427214971 /nfs/dbraw/zinc/21/49/71/1427214971.db2.gz JRPHKVCSGASZMO-MSOLQXFVSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731267502 1427214972 /nfs/dbraw/zinc/21/49/72/1427214972.db2.gz JRPHKVCSGASZMO-MSOLQXFVSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731267504 1427215137 /nfs/dbraw/zinc/21/51/37/1427215137.db2.gz JRPHKVCSGASZMO-QZTJIDSGSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731267504 1427215139 /nfs/dbraw/zinc/21/51/39/1427215139.db2.gz JRPHKVCSGASZMO-QZTJIDSGSA-N 2 2 342.487 3.342 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731291576 1427233608 /nfs/dbraw/zinc/23/36/08/1427233608.db2.gz ASRJAMINGSFPQZ-DLBZAZTESA-N 2 2 340.471 3.273 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731532496 1427523204 /nfs/dbraw/zinc/52/32/04/1427523204.db2.gz XCRKMWIOAKOAQN-DKRLNXSXSA-N 2 2 346.519 3.262 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+][C@@H]3CCc4ccccc43)ccn12 ZINC001731592401 1427633875 /nfs/dbraw/zinc/63/38/75/1427633875.db2.gz QNYNOJNWHFKDBV-AUUYWEPGSA-N 2 2 348.450 3.038 10 0 EGAELP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001731997854 1428207141 /nfs/dbraw/zinc/20/71/41/1428207141.db2.gz UCELQWGWZQAEJS-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001731997854 1428207143 /nfs/dbraw/zinc/20/71/43/1428207143.db2.gz UCELQWGWZQAEJS-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920347 1437734476 /nfs/dbraw/zinc/73/44/76/1437734476.db2.gz FWQARLDBUHAQKH-INIZCTEOSA-N 2 2 348.535 3.294 10 0 EGAELP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920347 1437734480 /nfs/dbraw/zinc/73/44/80/1437734480.db2.gz FWQARLDBUHAQKH-INIZCTEOSA-N 2 2 348.535 3.294 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001734454479 1438112050 /nfs/dbraw/zinc/11/20/50/1438112050.db2.gz BMQHLEJEAAJRHX-IRXDYDNUSA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001734454479 1438112052 /nfs/dbraw/zinc/11/20/52/1438112052.db2.gz BMQHLEJEAAJRHX-IRXDYDNUSA-N 2 2 334.508 3.086 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944588 1440117781 /nfs/dbraw/zinc/11/77/81/1440117781.db2.gz MOBUAZOAKLVSGB-DLBZAZTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944588 1440117782 /nfs/dbraw/zinc/11/77/82/1440117782.db2.gz MOBUAZOAKLVSGB-DLBZAZTESA-N 2 2 348.535 3.241 10 0 EGAELP [NH3+]CCCNc1c(C(=O)C(F)(F)F)c[nH+]c2cc(Cl)ccc21 ZINC000097757692 219054947 /nfs/dbraw/zinc/05/49/47/219054947.db2.gz LBTGPIMKNGSTKR-UHFFFAOYSA-N 2 2 331.725 3.394 10 0 EGAELP COc1c(C)cnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000110030837 220010096 /nfs/dbraw/zinc/01/00/96/220010096.db2.gz OPTZZDMBAOQTHK-MRXNPFEDSA-N 2 2 326.444 3.036 10 0 EGAELP COc1c(C)cnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000110030837 220010101 /nfs/dbraw/zinc/01/01/01/220010101.db2.gz OPTZZDMBAOQTHK-MRXNPFEDSA-N 2 2 326.444 3.036 10 0 EGAELP Clc1ccc(Br)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377400921 169020360 /nfs/dbraw/zinc/02/03/60/169020360.db2.gz NMCRPQYLMQLNQD-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(Br)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377400921 169020362 /nfs/dbraw/zinc/02/03/62/169020362.db2.gz NMCRPQYLMQLNQD-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644871 218237716 /nfs/dbraw/zinc/23/77/16/218237716.db2.gz SLWVFPQCAQDYQJ-GDBMZVCRSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644871 218237718 /nfs/dbraw/zinc/23/77/18/218237718.db2.gz SLWVFPQCAQDYQJ-GDBMZVCRSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644871 218237720 /nfs/dbraw/zinc/23/77/20/218237720.db2.gz SLWVFPQCAQDYQJ-GDBMZVCRSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644871 218237722 /nfs/dbraw/zinc/23/77/22/218237722.db2.gz SLWVFPQCAQDYQJ-GDBMZVCRSA-N 2 2 336.476 3.017 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704302 252154635 /nfs/dbraw/zinc/15/46/35/252154635.db2.gz HIOPWBWLQDOEBX-MISYRCLQSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704302 252154638 /nfs/dbraw/zinc/15/46/38/252154638.db2.gz HIOPWBWLQDOEBX-MISYRCLQSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000268704302 252154640 /nfs/dbraw/zinc/15/46/40/252154640.db2.gz HIOPWBWLQDOEBX-MISYRCLQSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000268704302 252154642 /nfs/dbraw/zinc/15/46/42/252154642.db2.gz HIOPWBWLQDOEBX-MISYRCLQSA-N 2 2 341.499 3.383 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)CCO1 ZINC000275698509 257991846 /nfs/dbraw/zinc/99/18/46/257991846.db2.gz XLFOXEHZWDMQBY-AEFFLSMTSA-N 2 2 341.455 3.144 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000347882749 141209551 /nfs/dbraw/zinc/20/95/51/141209551.db2.gz UGUZSPJRFIYCJV-UHFFFAOYSA-N 2 2 347.462 3.322 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000173529348 144044512 /nfs/dbraw/zinc/04/45/12/144044512.db2.gz VRKGQAACQVROAA-MJGOQNOKSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000173529348 144044513 /nfs/dbraw/zinc/04/45/13/144044513.db2.gz VRKGQAACQVROAA-MJGOQNOKSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529348 144044514 /nfs/dbraw/zinc/04/45/14/144044514.db2.gz VRKGQAACQVROAA-MJGOQNOKSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529348 144044515 /nfs/dbraw/zinc/04/45/15/144044515.db2.gz VRKGQAACQVROAA-MJGOQNOKSA-N 2 2 345.531 3.228 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000175256155 144061130 /nfs/dbraw/zinc/06/11/30/144061130.db2.gz LHWFESNPTLKDGX-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000175256155 144061131 /nfs/dbraw/zinc/06/11/31/144061131.db2.gz LHWFESNPTLKDGX-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP FC(F)Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000351349495 144262824 /nfs/dbraw/zinc/26/28/24/144262824.db2.gz HQHGKDRASJMWCE-INIZCTEOSA-N 2 2 340.462 3.236 10 0 EGAELP FC(F)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000351349495 144262826 /nfs/dbraw/zinc/26/28/26/144262826.db2.gz HQHGKDRASJMWCE-INIZCTEOSA-N 2 2 340.462 3.236 10 0 EGAELP Cc1nc(N2CC[NH+](C[C@H](C)c3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000351592603 144284883 /nfs/dbraw/zinc/28/48/83/144284883.db2.gz KPNKEISAZGXUBV-AWEZNQCLSA-N 2 2 330.863 3.364 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000361745915 144358888 /nfs/dbraw/zinc/35/88/88/144358888.db2.gz JSSDZJKLVGKJRQ-IBGZPJMESA-N 2 2 325.387 3.143 10 0 EGAELP C[C@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119666131 152221992 /nfs/dbraw/zinc/22/19/92/152221992.db2.gz NVWLJGJPHAMIPL-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119666131 152221993 /nfs/dbraw/zinc/22/19/93/152221993.db2.gz NVWLJGJPHAMIPL-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119666131 152221995 /nfs/dbraw/zinc/22/19/95/152221995.db2.gz NVWLJGJPHAMIPL-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119666131 152221996 /nfs/dbraw/zinc/22/19/96/152221996.db2.gz NVWLJGJPHAMIPL-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121786670 152371708 /nfs/dbraw/zinc/37/17/08/152371708.db2.gz XUNOZOKCZJUKLH-UHFFFAOYSA-N 2 2 349.910 3.385 10 0 EGAELP OC(C[NH+]1CCC[C@@H]1c1ccco1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000194516053 153342438 /nfs/dbraw/zinc/34/24/38/153342438.db2.gz UCKFJFYRVDCKJE-IAGOWNOFSA-N 2 2 330.428 3.208 10 0 EGAELP OC(C[NH+]1CCC[C@@H]1c1ccco1)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000194516053 153342443 /nfs/dbraw/zinc/34/24/43/153342443.db2.gz UCKFJFYRVDCKJE-IAGOWNOFSA-N 2 2 330.428 3.208 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000340109043 155099986 /nfs/dbraw/zinc/09/99/86/155099986.db2.gz OGFCQBCVIMIBRP-UHFFFAOYSA-N 2 2 325.456 3.499 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]1c1ccccc1 ZINC000340108324 155100961 /nfs/dbraw/zinc/10/09/61/155100961.db2.gz HJKIDYVGRYHUSQ-LEWJYISDSA-N 2 2 332.451 3.407 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]1c1ccccc1 ZINC000340108324 155100963 /nfs/dbraw/zinc/10/09/63/155100963.db2.gz HJKIDYVGRYHUSQ-LEWJYISDSA-N 2 2 332.451 3.407 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365618425 157193355 /nfs/dbraw/zinc/19/33/55/157193355.db2.gz AMVYXMDQTDBEJK-OAHLLOKOSA-N 2 2 336.439 3.272 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365618425 157193359 /nfs/dbraw/zinc/19/33/59/157193359.db2.gz AMVYXMDQTDBEJK-OAHLLOKOSA-N 2 2 336.439 3.272 10 0 EGAELP Cc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)c2cc(F)ccc2[nH+]1 ZINC000368675805 157262193 /nfs/dbraw/zinc/26/21/93/157262193.db2.gz OBNKGAIZZOSOME-UHFFFAOYSA-N 2 2 333.370 3.297 10 0 EGAELP COC[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000093882373 162032720 /nfs/dbraw/zinc/03/27/20/162032720.db2.gz IJAXRDAFTPBWCA-KRWDZBQOSA-N 2 2 346.394 3.010 10 0 EGAELP CCS[C@@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000128908459 162340139 /nfs/dbraw/zinc/34/01/39/162340139.db2.gz DQRSMISAMVGEQC-ZDUSSCGKSA-N 2 2 349.504 3.072 10 0 EGAELP CCc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000130366125 162365096 /nfs/dbraw/zinc/36/50/96/162365096.db2.gz KPLLMADLAHSFFU-YJBOKZPZSA-N 2 2 344.528 3.143 10 0 EGAELP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000130366125 162365098 /nfs/dbraw/zinc/36/50/98/162365098.db2.gz KPLLMADLAHSFFU-YJBOKZPZSA-N 2 2 344.528 3.143 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248992006 163049583 /nfs/dbraw/zinc/04/95/83/163049583.db2.gz LFIIFIYKLRCLMG-DFQSSKMNSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248992006 163049587 /nfs/dbraw/zinc/04/95/87/163049587.db2.gz LFIIFIYKLRCLMG-DFQSSKMNSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000337185750 163156862 /nfs/dbraw/zinc/15/68/62/163156862.db2.gz CVGKVTOLJFZIGA-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c[nH+]1 ZINC000343657066 164005495 /nfs/dbraw/zinc/00/54/95/164005495.db2.gz KIKVVDTVOSCPQS-PXNSSMCTSA-N 2 2 337.467 3.102 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3ccnc(N4CCCC4)c3)c2)c[nH+]1 ZINC000344157698 164115878 /nfs/dbraw/zinc/11/58/78/164115878.db2.gz WHOGBWJRKCREGY-UHFFFAOYSA-N 2 2 339.468 3.219 10 0 EGAELP [NH3+]CCCN(Cc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1 ZINC000346399003 164380673 /nfs/dbraw/zinc/38/06/73/164380673.db2.gz YABMLTUSXXEDFO-UHFFFAOYSA-N 2 2 338.430 3.426 10 0 EGAELP c1cn(-c2cccc(-c3noc([C@H]4CCCc5[nH+]ccn54)n3)c2)c[nH+]1 ZINC000350458405 165055940 /nfs/dbraw/zinc/05/59/40/165055940.db2.gz PXZAPSXUZBYUEG-OAHLLOKOSA-N 2 2 332.367 3.045 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000352342457 165353824 /nfs/dbraw/zinc/35/38/24/165353824.db2.gz SPTZVPGSQXCENC-UHFFFAOYSA-N 2 2 340.383 3.076 10 0 EGAELP c1cn(-c2ccc(C[NH2+]CC[C@H]3COc4ccccc4O3)cc2)c[nH+]1 ZINC000360272482 167287046 /nfs/dbraw/zinc/28/70/46/167287046.db2.gz CQPDHHRICICSSS-SFHVURJKSA-N 2 2 335.407 3.192 10 0 EGAELP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)nnn1-c1ccccc1 ZINC000360499358 167342807 /nfs/dbraw/zinc/34/28/07/167342807.db2.gz GAMBBPSYHRCTNJ-OAHLLOKOSA-N 2 2 339.487 3.243 10 0 EGAELP c1ccc2nc(CC[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000360688149 167388664 /nfs/dbraw/zinc/38/86/64/167388664.db2.gz HCBAFLRTJOBWST-UHFFFAOYSA-N 2 2 346.478 3.427 10 0 EGAELP COCCCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255523 266169348 /nfs/dbraw/zinc/16/93/48/266169348.db2.gz TURFMHNJAMWBHJ-INIZCTEOSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255523 266169349 /nfs/dbraw/zinc/16/93/49/266169349.db2.gz TURFMHNJAMWBHJ-INIZCTEOSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255523 266169351 /nfs/dbraw/zinc/16/93/51/266169351.db2.gz TURFMHNJAMWBHJ-INIZCTEOSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255523 266169352 /nfs/dbraw/zinc/16/93/52/266169352.db2.gz TURFMHNJAMWBHJ-INIZCTEOSA-N 2 2 325.522 3.022 10 0 EGAELP 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COCC[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000570808719 317111076 /nfs/dbraw/zinc/11/10/76/317111076.db2.gz XPRAPXJQLXFAHN-CYBMUJFWSA-N 2 2 346.393 3.347 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000571650476 317228618 /nfs/dbraw/zinc/22/86/18/317228618.db2.gz IJKKKZBEMWACSU-LBPRGKRZSA-N 2 2 327.457 3.140 10 0 EGAELP [NH3+]C1CCC(OCC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000574986049 317659222 /nfs/dbraw/zinc/65/92/22/317659222.db2.gz QQXZWBWVOOETCN-UHFFFAOYSA-N 2 2 341.411 3.099 10 0 EGAELP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc21 ZINC000181781961 323503589 /nfs/dbraw/zinc/50/35/89/323503589.db2.gz ATTYCUKVLIDRIY-HZPDHXFCSA-N 2 2 346.471 3.450 10 0 EGAELP Cc1cc(CC[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)on1 ZINC000353081517 456477043 /nfs/dbraw/zinc/47/70/43/456477043.db2.gz DOCCMKALNHVEAE-UHFFFAOYSA-N 2 2 349.232 3.034 10 0 EGAELP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389946979 324281277 /nfs/dbraw/zinc/28/12/77/324281277.db2.gz QWLGEWNOIAJZBW-PKOBYXMFSA-N 2 2 326.488 3.332 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006905 325049473 /nfs/dbraw/zinc/04/94/73/325049473.db2.gz RUZYGKJXWXTQHW-SJLPKXTDSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006905 325049475 /nfs/dbraw/zinc/04/94/75/325049475.db2.gz RUZYGKJXWXTQHW-SJLPKXTDSA-N 2 2 343.515 3.076 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CCOC(C)C)c(C)c1 ZINC000579463545 325114128 /nfs/dbraw/zinc/11/41/28/325114128.db2.gz YNBGWHLLFAPCIK-UYAOXDASSA-N 2 2 345.487 3.007 10 0 EGAELP C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655737 455219046 /nfs/dbraw/zinc/21/90/46/455219046.db2.gz XOKQFKJBWMRSGA-GJYPPUQNSA-N 2 2 340.471 3.218 10 0 EGAELP C[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661992 455221798 /nfs/dbraw/zinc/22/17/98/455221798.db2.gz OHPXKCCFYCAFDF-ZDUSSCGKSA-N 2 2 327.350 3.492 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000183154780 455239761 /nfs/dbraw/zinc/23/97/61/455239761.db2.gz CALHAWWEDLLWNB-AWEZNQCLSA-N 2 2 332.411 3.074 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894348 455251418 /nfs/dbraw/zinc/25/14/18/455251418.db2.gz GFBUHDYTMKMPEE-CABCVRRESA-N 2 2 328.460 3.216 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380240 455276887 /nfs/dbraw/zinc/27/68/87/455276887.db2.gz XJWMZUIAMAJBDT-CZUORRHYSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380240 455276892 /nfs/dbraw/zinc/27/68/92/455276892.db2.gz XJWMZUIAMAJBDT-CZUORRHYSA-N 2 2 330.394 3.467 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(I)cc1 ZINC000600707625 460574969 /nfs/dbraw/zinc/57/49/69/460574969.db2.gz CRASEEMLHBVUGA-JTNHKYCSSA-N 2 2 344.240 3.082 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245575226 455333628 /nfs/dbraw/zinc/33/36/28/455333628.db2.gz HOVWNMZFYVOKJM-ROUUACIJSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245575226 455333632 /nfs/dbraw/zinc/33/36/32/455333632.db2.gz HOVWNMZFYVOKJM-ROUUACIJSA-N 2 2 334.508 3.195 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886729 460588971 /nfs/dbraw/zinc/58/89/71/460588971.db2.gz LSBCKKMBIMLXOD-ROUUACIJSA-N 2 2 340.471 3.434 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886729 460588976 /nfs/dbraw/zinc/58/89/76/460588976.db2.gz LSBCKKMBIMLXOD-ROUUACIJSA-N 2 2 340.471 3.434 10 0 EGAELP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000626624298 460604441 /nfs/dbraw/zinc/60/44/41/460604441.db2.gz DBIQRQHCFSZACA-KRWDZBQOSA-N 2 2 340.471 3.234 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733212 455368180 /nfs/dbraw/zinc/36/81/80/455368180.db2.gz KDYOGFHBUMABLD-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733212 455368182 /nfs/dbraw/zinc/36/81/82/455368182.db2.gz KDYOGFHBUMABLD-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733212 455368184 /nfs/dbraw/zinc/36/81/84/455368184.db2.gz KDYOGFHBUMABLD-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733212 455368186 /nfs/dbraw/zinc/36/81/86/455368186.db2.gz KDYOGFHBUMABLD-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(Cc2ccccc2)no1 ZINC000084667713 454004621 /nfs/dbraw/zinc/00/46/21/454004621.db2.gz HWSUPGMHPZSYDQ-HOCLYGCPSA-N 2 2 337.427 3.085 10 0 EGAELP CN(C)c1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000077486801 454112459 /nfs/dbraw/zinc/11/24/59/454112459.db2.gz AARQGWVLJPOGOF-UHFFFAOYSA-N 2 2 345.878 3.273 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879312 454347398 /nfs/dbraw/zinc/34/73/98/454347398.db2.gz YAEAQVPYIHRFSU-FXAWDEMLSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879312 454347405 /nfs/dbraw/zinc/34/74/05/454347405.db2.gz YAEAQVPYIHRFSU-FXAWDEMLSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000097022792 454389215 /nfs/dbraw/zinc/38/92/15/454389215.db2.gz GSPVQKGGWVOZNC-KXBFYZLASA-N 2 2 343.446 3.291 10 0 EGAELP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091689536 454459517 /nfs/dbraw/zinc/45/95/17/454459517.db2.gz GMNIVEGBWSGYEV-INIZCTEOSA-N 2 2 330.451 3.100 10 0 EGAELP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623615353 460642205 /nfs/dbraw/zinc/64/22/05/460642205.db2.gz ZXRSEYUJJRLBKA-TZIWHRDSSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623615353 460642214 /nfs/dbraw/zinc/64/22/14/460642214.db2.gz ZXRSEYUJJRLBKA-TZIWHRDSSA-N 2 2 344.499 3.351 10 0 EGAELP COCCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812501 454637734 /nfs/dbraw/zinc/63/77/34/454637734.db2.gz RKTZOVLPJVIQGR-SFHVURJKSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812501 454637736 /nfs/dbraw/zinc/63/77/36/454637736.db2.gz RKTZOVLPJVIQGR-SFHVURJKSA-N 2 2 341.455 3.041 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000105922518 454668479 /nfs/dbraw/zinc/66/84/79/454668479.db2.gz VDAZPYYEYXUBDL-INIZCTEOSA-N 2 2 328.460 3.303 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000105922518 454668482 /nfs/dbraw/zinc/66/84/82/454668482.db2.gz VDAZPYYEYXUBDL-INIZCTEOSA-N 2 2 328.460 3.303 10 0 EGAELP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016712 454671882 /nfs/dbraw/zinc/67/18/82/454671882.db2.gz BXFATSFDCJKBAM-INIZCTEOSA-N 2 2 336.549 3.297 10 0 EGAELP CN(C)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016712 454671886 /nfs/dbraw/zinc/67/18/86/454671886.db2.gz BXFATSFDCJKBAM-INIZCTEOSA-N 2 2 336.549 3.297 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000106212531 454686133 /nfs/dbraw/zinc/68/61/33/454686133.db2.gz ZQECBZDMHRXAMV-SFHVURJKSA-N 2 2 346.519 3.169 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000106212531 454686139 /nfs/dbraw/zinc/68/61/39/454686139.db2.gz ZQECBZDMHRXAMV-SFHVURJKSA-N 2 2 346.519 3.169 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093148141 454688927 /nfs/dbraw/zinc/68/89/27/454688927.db2.gz MBXSAAXRWCQEHP-QGZVFWFLSA-N 2 2 348.560 3.013 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093148141 454688930 /nfs/dbraw/zinc/68/89/30/454688930.db2.gz MBXSAAXRWCQEHP-QGZVFWFLSA-N 2 2 348.560 3.013 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753231 454731455 /nfs/dbraw/zinc/73/14/55/454731455.db2.gz QWQPIIKIYWJHLI-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753231 454731463 /nfs/dbraw/zinc/73/14/63/454731463.db2.gz QWQPIIKIYWJHLI-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753231 454731466 /nfs/dbraw/zinc/73/14/66/454731466.db2.gz QWQPIIKIYWJHLI-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753231 454731469 /nfs/dbraw/zinc/73/14/69/454731469.db2.gz QWQPIIKIYWJHLI-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705050 454773050 /nfs/dbraw/zinc/77/30/50/454773050.db2.gz KQUCUBRFWIXSPG-UGSOOPFHSA-N 2 2 331.847 3.045 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000153274577 454777646 /nfs/dbraw/zinc/77/76/46/454777646.db2.gz HWEQWFGPVXWTRT-GDBMZVCRSA-N 2 2 342.430 3.297 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000182293320 455481623 /nfs/dbraw/zinc/48/16/23/455481623.db2.gz ULEZMQSGGYZGMP-INIZCTEOSA-N 2 2 335.492 3.187 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000182293320 455481624 /nfs/dbraw/zinc/48/16/24/455481624.db2.gz ULEZMQSGGYZGMP-INIZCTEOSA-N 2 2 335.492 3.187 10 0 EGAELP Clc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808653 454895459 /nfs/dbraw/zinc/89/54/59/454895459.db2.gz QIYQWHGLEXYONV-CQSZACIVSA-N 2 2 336.863 3.124 10 0 EGAELP Clc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808653 454895462 /nfs/dbraw/zinc/89/54/62/454895462.db2.gz QIYQWHGLEXYONV-CQSZACIVSA-N 2 2 336.863 3.124 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000151114625 454940275 /nfs/dbraw/zinc/94/02/75/454940275.db2.gz OXECHNFLOWUTDK-HNNXBMFYSA-N 2 2 347.484 3.439 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000151114625 454940282 /nfs/dbraw/zinc/94/02/82/454940282.db2.gz OXECHNFLOWUTDK-HNNXBMFYSA-N 2 2 347.484 3.439 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151269548 454961084 /nfs/dbraw/zinc/96/10/84/454961084.db2.gz KAAYJEQFMDYOOH-HUUCEWRRSA-N 2 2 342.430 3.094 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287724 454963513 /nfs/dbraw/zinc/96/35/13/454963513.db2.gz WQYKNPMNJPQUNI-GDBMZVCRSA-N 2 2 340.920 3.313 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1F ZINC000151494551 454992760 /nfs/dbraw/zinc/99/27/60/454992760.db2.gz XURVPEBDAAHVPX-CYBMUJFWSA-N 2 2 326.375 3.266 10 0 EGAELP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000151527723 454997212 /nfs/dbraw/zinc/99/72/12/454997212.db2.gz JTBOXQDHCVCHIU-AWEZNQCLSA-N 2 2 325.441 3.199 10 0 EGAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128878787 455089130 /nfs/dbraw/zinc/08/91/30/455089130.db2.gz AQKBWNLCHBDXIC-SFTDATJTSA-N 2 2 326.484 3.007 10 0 EGAELP CCOCc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180120843 455135441 /nfs/dbraw/zinc/13/54/41/455135441.db2.gz JVPNJELWRARVMP-IBGZPJMESA-N 2 2 343.471 3.401 10 0 EGAELP CCOCc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180120843 455135445 /nfs/dbraw/zinc/13/54/45/455135445.db2.gz JVPNJELWRARVMP-IBGZPJMESA-N 2 2 343.471 3.401 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000237315405 455172967 /nfs/dbraw/zinc/17/29/67/455172967.db2.gz WUDWDRYWYQSICT-HNNXBMFYSA-N 2 2 341.455 3.418 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccs1 ZINC000180564719 455198378 /nfs/dbraw/zinc/19/83/78/455198378.db2.gz HVSFCPHMRDEXCF-UONOGXRCSA-N 2 2 331.489 3.290 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000190461189 455322639 /nfs/dbraw/zinc/32/26/39/455322639.db2.gz DJPLYLZTGPVVFT-MRXNPFEDSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000190461189 455322644 /nfs/dbraw/zinc/32/26/44/455322644.db2.gz DJPLYLZTGPVVFT-MRXNPFEDSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000190461189 455322650 /nfs/dbraw/zinc/32/26/50/455322650.db2.gz DJPLYLZTGPVVFT-MRXNPFEDSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000190461189 455322656 /nfs/dbraw/zinc/32/26/56/455322656.db2.gz DJPLYLZTGPVVFT-MRXNPFEDSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000265512264 455336222 /nfs/dbraw/zinc/33/62/22/455336222.db2.gz RIWBBVLMULTNRU-INIZCTEOSA-N 2 2 340.471 3.083 10 0 EGAELP Clc1nc2ccccn2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245720459 455363645 /nfs/dbraw/zinc/36/36/45/455363645.db2.gz DHCZQZXOXXWHOB-GOEBONIOSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1nc2ccccn2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245720459 455363651 /nfs/dbraw/zinc/36/36/51/455363651.db2.gz DHCZQZXOXXWHOB-GOEBONIOSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245720459 455363662 /nfs/dbraw/zinc/36/36/62/455363662.db2.gz DHCZQZXOXXWHOB-GOEBONIOSA-N 2 2 344.890 3.436 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000246010357 455413622 /nfs/dbraw/zinc/41/36/22/455413622.db2.gz KXWCDPPZRXKRHR-IGOJGBNBSA-N 2 2 328.456 3.018 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000246010357 455413626 /nfs/dbraw/zinc/41/36/26/455413626.db2.gz KXWCDPPZRXKRHR-IGOJGBNBSA-N 2 2 328.456 3.018 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246484103 455499395 /nfs/dbraw/zinc/49/93/95/455499395.db2.gz GSENMKABIWREDE-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246484103 455499397 /nfs/dbraw/zinc/49/93/97/455499397.db2.gz GSENMKABIWREDE-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246484103 455499398 /nfs/dbraw/zinc/49/93/98/455499398.db2.gz GSENMKABIWREDE-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246484103 455499400 /nfs/dbraw/zinc/49/94/00/455499400.db2.gz GSENMKABIWREDE-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192058409 455550202 /nfs/dbraw/zinc/55/02/02/455550202.db2.gz UEXYLZWZFGDZAB-FQEVSTJZSA-N 3 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192058409 455550207 /nfs/dbraw/zinc/55/02/07/455550207.db2.gz UEXYLZWZFGDZAB-FQEVSTJZSA-N 3 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000192058409 455550214 /nfs/dbraw/zinc/55/02/14/455550214.db2.gz UEXYLZWZFGDZAB-FQEVSTJZSA-N 2 2 335.455 3.350 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000192058409 455550219 /nfs/dbraw/zinc/55/02/19/455550219.db2.gz UEXYLZWZFGDZAB-FQEVSTJZSA-N 2 2 335.455 3.350 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cs2)c1 ZINC000292241797 455606565 /nfs/dbraw/zinc/60/65/65/455606565.db2.gz WVPPLRZZOHLTTA-IBGZPJMESA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cs2)c1 ZINC000292241797 455606567 /nfs/dbraw/zinc/60/65/67/455606567.db2.gz WVPPLRZZOHLTTA-IBGZPJMESA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cs2)c1 ZINC000292241797 455606571 /nfs/dbraw/zinc/60/65/71/455606571.db2.gz WVPPLRZZOHLTTA-IBGZPJMESA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cs2)c1 ZINC000292241797 455606575 /nfs/dbraw/zinc/60/65/75/455606575.db2.gz WVPPLRZZOHLTTA-IBGZPJMESA-N 2 2 343.496 3.346 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895085 455722283 /nfs/dbraw/zinc/72/22/83/455722283.db2.gz ARVQBOHEEHUCCW-WLRLJWMZSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895085 455722285 /nfs/dbraw/zinc/72/22/85/455722285.db2.gz ARVQBOHEEHUCCW-WLRLJWMZSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540409 460693511 /nfs/dbraw/zinc/69/35/11/460693511.db2.gz NARKVQWHTXTGHK-JXFKEZNVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540409 460693518 /nfs/dbraw/zinc/69/35/18/460693518.db2.gz NARKVQWHTXTGHK-JXFKEZNVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606540409 460693526 /nfs/dbraw/zinc/69/35/26/460693526.db2.gz NARKVQWHTXTGHK-JXFKEZNVSA-N 2 2 342.458 3.238 10 0 EGAELP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606581204 460700291 /nfs/dbraw/zinc/70/02/91/460700291.db2.gz UTCUZWQEMLCERU-UHFFFAOYSA-N 2 2 343.475 3.310 10 0 EGAELP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606581204 460700294 /nfs/dbraw/zinc/70/02/94/460700294.db2.gz UTCUZWQEMLCERU-UHFFFAOYSA-N 2 2 343.475 3.310 10 0 EGAELP c1c[nH]c([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2cccnc2)n1 ZINC000194967881 455907035 /nfs/dbraw/zinc/90/70/35/455907035.db2.gz SABFWRBMAKIJTO-FQEVSTJZSA-N 2 2 347.466 3.280 10 0 EGAELP c1c[nH+]c([C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2cccnc2)[nH]1 ZINC000194967881 455907040 /nfs/dbraw/zinc/90/70/40/455907040.db2.gz SABFWRBMAKIJTO-FQEVSTJZSA-N 2 2 347.466 3.280 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272393975 455936048 /nfs/dbraw/zinc/93/60/48/455936048.db2.gz DESJRANBVFLTJM-RDJZCZTQSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272393975 455936051 /nfs/dbraw/zinc/93/60/51/455936051.db2.gz DESJRANBVFLTJM-RDJZCZTQSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272393972 455936117 /nfs/dbraw/zinc/93/61/17/455936117.db2.gz DESJRANBVFLTJM-DOTOQJQBSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272393972 455936122 /nfs/dbraw/zinc/93/61/22/455936122.db2.gz DESJRANBVFLTJM-DOTOQJQBSA-N 2 2 342.439 3.066 10 0 EGAELP Cn1cc(C[N@H+](CC[NH3+])CCc2ccccc2)c(-c2cccs2)n1 ZINC000262043219 455989478 /nfs/dbraw/zinc/98/94/78/455989478.db2.gz PJJUZIFDMBONLY-UHFFFAOYSA-N 2 2 340.496 3.152 10 0 EGAELP Cn1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)c(-c2cccs2)n1 ZINC000262043219 455989484 /nfs/dbraw/zinc/98/94/84/455989484.db2.gz PJJUZIFDMBONLY-UHFFFAOYSA-N 2 2 340.496 3.152 10 0 EGAELP Fc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262141968 456003352 /nfs/dbraw/zinc/00/33/52/456003352.db2.gz PVDQOAKCLRPQND-MRXNPFEDSA-N 2 2 331.460 3.427 10 0 EGAELP Fc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262141968 456003357 /nfs/dbraw/zinc/00/33/57/456003357.db2.gz PVDQOAKCLRPQND-MRXNPFEDSA-N 2 2 331.460 3.427 10 0 EGAELP COc1cccc2c(NC[C@@H](C)[N@@H+]3CCOC[C@H]3C)cc(C)[nH+]c12 ZINC000301641866 456171428 /nfs/dbraw/zinc/17/14/28/456171428.db2.gz BNZAPGKNRRUQBI-HUUCEWRRSA-N 2 2 329.444 3.073 10 0 EGAELP COc1cccc2c(NC[C@@H](C)[N@H+]3CCOC[C@H]3C)cc(C)[nH+]c12 ZINC000301641866 456171433 /nfs/dbraw/zinc/17/14/33/456171433.db2.gz BNZAPGKNRRUQBI-HUUCEWRRSA-N 2 2 329.444 3.073 10 0 EGAELP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000281288335 456190140 /nfs/dbraw/zinc/19/01/40/456190140.db2.gz QHXRCLPXWCPECF-KRWDZBQOSA-N 2 2 338.386 3.192 10 0 EGAELP CC[NH+](CC)Cc1cccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000271288293 456207244 /nfs/dbraw/zinc/20/72/44/456207244.db2.gz FDRAWRCMVUXTMP-UHFFFAOYSA-N 2 2 349.438 3.361 10 0 EGAELP COc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1OC ZINC000297563928 456253374 /nfs/dbraw/zinc/25/33/74/456253374.db2.gz CKFWGIWTDGTHAM-UHFFFAOYSA-N 2 2 343.427 3.188 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000297847066 456308188 /nfs/dbraw/zinc/30/81/88/456308188.db2.gz OHGZCDMMWDRVJW-SWLSCSKDSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000297847066 456308195 /nfs/dbraw/zinc/30/81/95/456308195.db2.gz OHGZCDMMWDRVJW-SWLSCSKDSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000297847066 456308201 /nfs/dbraw/zinc/30/82/01/456308201.db2.gz OHGZCDMMWDRVJW-SWLSCSKDSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000297847066 456308206 /nfs/dbraw/zinc/30/82/06/456308206.db2.gz OHGZCDMMWDRVJW-SWLSCSKDSA-N 2 2 332.517 3.496 10 0 EGAELP Oc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000290565461 456366356 /nfs/dbraw/zinc/36/63/56/456366356.db2.gz YABFEDVSZCMMGV-CYBMUJFWSA-N 2 2 328.378 3.329 10 0 EGAELP Oc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000290565461 456366360 /nfs/dbraw/zinc/36/63/60/456366360.db2.gz YABFEDVSZCMMGV-CYBMUJFWSA-N 2 2 328.378 3.329 10 0 EGAELP CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282000794 456386743 /nfs/dbraw/zinc/38/67/43/456386743.db2.gz IVHWICINOPSCRA-CQSZACIVSA-N 2 2 329.448 3.105 10 0 EGAELP CC(C)c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282000794 456386746 /nfs/dbraw/zinc/38/67/46/456386746.db2.gz IVHWICINOPSCRA-CQSZACIVSA-N 2 2 329.448 3.105 10 0 EGAELP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282065069 456405087 /nfs/dbraw/zinc/40/50/87/456405087.db2.gz MWDVYKSNVIMJIM-AWEZNQCLSA-N 2 2 343.475 3.280 10 0 EGAELP CC(C)(C)c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282065069 456405093 /nfs/dbraw/zinc/40/50/93/456405093.db2.gz MWDVYKSNVIMJIM-AWEZNQCLSA-N 2 2 343.475 3.280 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000298411824 456449239 /nfs/dbraw/zinc/44/92/39/456449239.db2.gz MEYGCNCIAAHPAZ-UHFFFAOYSA-N 2 2 349.478 3.437 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000298411824 456449245 /nfs/dbraw/zinc/44/92/45/456449245.db2.gz MEYGCNCIAAHPAZ-UHFFFAOYSA-N 2 2 349.478 3.437 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466683 456477291 /nfs/dbraw/zinc/47/72/91/456477291.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466683 456477300 /nfs/dbraw/zinc/47/73/00/456477300.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466683 456477306 /nfs/dbraw/zinc/47/73/06/456477306.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466683 456477313 /nfs/dbraw/zinc/47/73/13/456477313.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466683 456477317 /nfs/dbraw/zinc/47/73/17/456477317.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466683 456477324 /nfs/dbraw/zinc/47/73/24/456477324.db2.gz DRTRRUDVGXZEHM-KXBFYZLASA-N 2 2 345.466 3.135 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797417 462272186 /nfs/dbraw/zinc/27/21/86/462272186.db2.gz MQKCELRJCHIDFW-MJGOQNOKSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797417 462272190 /nfs/dbraw/zinc/27/21/90/462272190.db2.gz MQKCELRJCHIDFW-MJGOQNOKSA-N 2 2 343.515 3.237 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000340586341 456549561 /nfs/dbraw/zinc/54/95/61/456549561.db2.gz SDBNLJHFYXZYIZ-LSDHHAIUSA-N 2 2 327.819 3.469 10 0 EGAELP C[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000340586341 456549566 /nfs/dbraw/zinc/54/95/66/456549566.db2.gz SDBNLJHFYXZYIZ-LSDHHAIUSA-N 2 2 327.819 3.469 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061563 462362736 /nfs/dbraw/zinc/36/27/36/462362736.db2.gz OZMLBLANVDUNED-FZMZJTMJSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061563 462362744 /nfs/dbraw/zinc/36/27/44/462362744.db2.gz OZMLBLANVDUNED-FZMZJTMJSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1n1cc[nH+]c1 ZINC000282729801 456607354 /nfs/dbraw/zinc/60/73/54/456607354.db2.gz DJSKPHCRVMXQNX-WMLDXEAASA-N 2 2 341.484 3.428 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1n1cc[nH+]c1 ZINC000282729801 456607360 /nfs/dbraw/zinc/60/73/60/456607360.db2.gz DJSKPHCRVMXQNX-WMLDXEAASA-N 2 2 341.484 3.428 10 0 EGAELP CC(C)n1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282740199 456610109 /nfs/dbraw/zinc/61/01/09/456610109.db2.gz NDIGSSWJOYPQTJ-QGZVFWFLSA-N 2 2 327.476 3.376 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353456981 456701007 /nfs/dbraw/zinc/70/10/07/456701007.db2.gz XOVRBXDNPYNCBT-HKBOAZHASA-N 3 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353456981 456701017 /nfs/dbraw/zinc/70/10/17/456701017.db2.gz XOVRBXDNPYNCBT-HKBOAZHASA-N 3 2 327.516 3.113 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000277231612 456735131 /nfs/dbraw/zinc/73/51/31/456735131.db2.gz SWXKDECIZMLADN-GOSISDBHSA-N 2 2 338.455 3.057 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000277231612 456735139 /nfs/dbraw/zinc/73/51/39/456735139.db2.gz SWXKDECIZMLADN-GOSISDBHSA-N 2 2 338.455 3.057 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353623880 456810490 /nfs/dbraw/zinc/81/04/90/456810490.db2.gz PLKPCESJJVDJTQ-KBRIMQKVSA-N 2 2 339.439 3.038 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353623880 456810497 /nfs/dbraw/zinc/81/04/97/456810497.db2.gz PLKPCESJJVDJTQ-KBRIMQKVSA-N 2 2 339.439 3.038 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292086759 456850924 /nfs/dbraw/zinc/85/09/24/456850924.db2.gz GJEFVQVVXIIYSU-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292086759 456850927 /nfs/dbraw/zinc/85/09/27/456850927.db2.gz GJEFVQVVXIIYSU-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292086759 456850931 /nfs/dbraw/zinc/85/09/31/456850931.db2.gz GJEFVQVVXIIYSU-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292086759 456850933 /nfs/dbraw/zinc/85/09/33/456850933.db2.gz GJEFVQVVXIIYSU-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339183272 456981182 /nfs/dbraw/zinc/98/11/82/456981182.db2.gz ZVWJAUCFKVAZQJ-TZMCWYRMSA-N 2 2 334.261 3.181 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349782068 457049570 /nfs/dbraw/zinc/04/95/70/457049570.db2.gz IDGPMVIJFAFMFN-SFHVURJKSA-N 2 2 330.863 3.014 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349782068 457049579 /nfs/dbraw/zinc/04/95/79/457049579.db2.gz IDGPMVIJFAFMFN-SFHVURJKSA-N 2 2 330.863 3.014 10 0 EGAELP CC[C@@H]1C[C@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000356912288 457215271 /nfs/dbraw/zinc/21/52/71/457215271.db2.gz FQAOPIHYCXLFSB-QZTJIDSGSA-N 2 2 346.519 3.236 10 0 EGAELP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000347316607 457348800 /nfs/dbraw/zinc/34/88/00/457348800.db2.gz SGNGBOHFYMNCAE-GFCCVEGCSA-N 2 2 343.381 3.313 10 0 EGAELP Fc1cccc(F)c1C[N@H+]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000347316607 457348805 /nfs/dbraw/zinc/34/88/05/457348805.db2.gz SGNGBOHFYMNCAE-GFCCVEGCSA-N 2 2 343.381 3.313 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607698 457397779 /nfs/dbraw/zinc/39/77/79/457397779.db2.gz RMOWLKQHRFFDMH-AWEZNQCLSA-N 2 2 326.444 3.179 10 0 EGAELP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893450 457413181 /nfs/dbraw/zinc/41/31/81/457413181.db2.gz DTNJGDPTKALYLI-WOJBJXKFSA-N 2 2 345.531 3.306 10 0 EGAELP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893450 457413185 /nfs/dbraw/zinc/41/31/85/457413185.db2.gz DTNJGDPTKALYLI-WOJBJXKFSA-N 2 2 345.531 3.306 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000374202109 457521840 /nfs/dbraw/zinc/52/18/40/457521840.db2.gz ZJSBKENHMVPUPB-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209919 457523418 /nfs/dbraw/zinc/52/34/18/457523418.db2.gz RWWPDAQYGLXQHO-LJQANCHMSA-N 2 2 340.471 3.199 10 0 EGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374209919 457523423 /nfs/dbraw/zinc/52/34/23/457523423.db2.gz RWWPDAQYGLXQHO-LJQANCHMSA-N 2 2 340.471 3.199 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C2 ZINC000370166063 457569970 /nfs/dbraw/zinc/56/99/70/457569970.db2.gz XZAIPLJDASKCGX-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)CC2 ZINC000370166063 457569976 /nfs/dbraw/zinc/56/99/76/457569976.db2.gz XZAIPLJDASKCGX-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306404 457614519 /nfs/dbraw/zinc/61/45/19/457614519.db2.gz AKSJNEIZXWGOSC-HZPDHXFCSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306404 457614524 /nfs/dbraw/zinc/61/45/24/457614524.db2.gz AKSJNEIZXWGOSC-HZPDHXFCSA-N 2 2 346.519 3.092 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057676 457655199 /nfs/dbraw/zinc/65/51/99/457655199.db2.gz HZLTWOYFTBGXQZ-IEBWSBKVSA-N 2 2 328.500 3.354 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057676 457655206 /nfs/dbraw/zinc/65/52/06/457655206.db2.gz HZLTWOYFTBGXQZ-IEBWSBKVSA-N 2 2 328.500 3.354 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000361319570 457691144 /nfs/dbraw/zinc/69/11/44/457691144.db2.gz WHKBONYFYGFGQO-YWTKSJFSSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000361319570 457691148 /nfs/dbraw/zinc/69/11/48/457691148.db2.gz WHKBONYFYGFGQO-YWTKSJFSSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CCNC(=O)C(C)C ZINC000361348146 457701228 /nfs/dbraw/zinc/70/12/28/457701228.db2.gz HSTRAIKOHBGUKK-UHFFFAOYSA-N 2 2 344.503 3.219 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CCNC(=O)C(C)C ZINC000361348146 457701231 /nfs/dbraw/zinc/70/12/31/457701231.db2.gz HSTRAIKOHBGUKK-UHFFFAOYSA-N 2 2 344.503 3.219 10 0 EGAELP CCO[C@H]1COCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361381761 457713161 /nfs/dbraw/zinc/71/31/61/457713161.db2.gz QAXCABITINCSMQ-QUCCMNQESA-N 2 2 345.487 3.299 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000361389410 457714585 /nfs/dbraw/zinc/71/45/85/457714585.db2.gz IYKXXTNLTUFNAS-HXUWFJFHSA-N 2 2 327.472 3.362 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000361389410 457714590 /nfs/dbraw/zinc/71/45/90/457714590.db2.gz IYKXXTNLTUFNAS-HXUWFJFHSA-N 2 2 327.472 3.362 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000361464200 457740237 /nfs/dbraw/zinc/74/02/37/457740237.db2.gz PPPVRRDVKMQKNI-XLIONFOSSA-N 2 2 331.504 3.088 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000361464200 457740238 /nfs/dbraw/zinc/74/02/38/457740238.db2.gz PPPVRRDVKMQKNI-XLIONFOSSA-N 2 2 331.504 3.088 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124506 457801575 /nfs/dbraw/zinc/80/15/75/457801575.db2.gz HEXXEJHOWPQTNA-BXKDBHETSA-N 2 2 349.219 3.090 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124506 457801581 /nfs/dbraw/zinc/80/15/81/457801581.db2.gz HEXXEJHOWPQTNA-BXKDBHETSA-N 2 2 349.219 3.090 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000366467692 457816838 /nfs/dbraw/zinc/81/68/38/457816838.db2.gz HWNARBSRKFWHST-UHFFFAOYSA-N 2 2 326.375 3.421 10 0 EGAELP COc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1OC(F)F ZINC000358151635 457817132 /nfs/dbraw/zinc/81/71/32/457817132.db2.gz BPKXBIUTEWIJFD-UHFFFAOYSA-N 2 2 326.387 3.038 10 0 EGAELP COc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1OC(F)F ZINC000358151635 457817140 /nfs/dbraw/zinc/81/71/40/457817140.db2.gz BPKXBIUTEWIJFD-UHFFFAOYSA-N 2 2 326.387 3.038 10 0 EGAELP CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361689781 457823341 /nfs/dbraw/zinc/82/33/41/457823341.db2.gz RKAXBVITIMMLML-GOSISDBHSA-N 2 2 327.428 3.098 10 0 EGAELP CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361689781 457823347 /nfs/dbraw/zinc/82/33/47/457823347.db2.gz RKAXBVITIMMLML-GOSISDBHSA-N 2 2 327.428 3.098 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000361749695 457833376 /nfs/dbraw/zinc/83/33/76/457833376.db2.gz VCVZGYFERLYYGP-GOSISDBHSA-N 2 2 343.377 3.282 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000368464299 458039054 /nfs/dbraw/zinc/03/90/54/458039054.db2.gz DRFLGDJOGVWHNZ-JRGCBEDISA-N 2 2 343.515 3.446 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427897924 458047451 /nfs/dbraw/zinc/04/74/51/458047451.db2.gz ZHQFVEPZTXTUQW-UIFIKXQLSA-N 2 2 327.516 3.113 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427897924 458047459 /nfs/dbraw/zinc/04/74/59/458047459.db2.gz ZHQFVEPZTXTUQW-UIFIKXQLSA-N 2 2 327.516 3.113 10 0 EGAELP CC[C@@](C)([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000428291525 458115374 /nfs/dbraw/zinc/11/53/74/458115374.db2.gz SGPGKLBWIBGHIS-LJQANCHMSA-N 2 2 331.460 3.446 10 0 EGAELP CCOc1c(OC)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000376019339 458164759 /nfs/dbraw/zinc/16/47/59/458164759.db2.gz ABAXXRMQKOUIOJ-UHFFFAOYSA-N 2 2 348.487 3.209 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000447747085 458337000 /nfs/dbraw/zinc/33/70/00/458337000.db2.gz RHCMYQSURFQOCV-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1Cl ZINC000447747085 458337003 /nfs/dbraw/zinc/33/70/03/458337003.db2.gz RHCMYQSURFQOCV-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000376591396 458347332 /nfs/dbraw/zinc/34/73/32/458347332.db2.gz CRMCETXCOIIDTR-WMZOPIPTSA-N 2 2 342.418 3.404 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000376591396 458347335 /nfs/dbraw/zinc/34/73/35/458347335.db2.gz CRMCETXCOIIDTR-WMZOPIPTSA-N 2 2 342.418 3.404 10 0 EGAELP CON1CCC([N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000459580493 458417798 /nfs/dbraw/zinc/41/77/98/458417798.db2.gz MVUHZLLIOAJQSF-UHFFFAOYSA-N 2 2 344.503 3.473 10 0 EGAELP CON1CCC([N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000459580493 458417800 /nfs/dbraw/zinc/41/78/00/458417800.db2.gz MVUHZLLIOAJQSF-UHFFFAOYSA-N 2 2 344.503 3.473 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)c1 ZINC000459653862 458436872 /nfs/dbraw/zinc/43/68/72/458436872.db2.gz DQJFURONVBBJFW-UHFFFAOYSA-N 2 2 339.414 3.471 10 0 EGAELP COc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c(Br)c1 ZINC000459668827 458441185 /nfs/dbraw/zinc/44/11/85/458441185.db2.gz UHQOSNPZBJAQAC-NSHDSACASA-N 2 2 338.249 3.085 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423566263 458458037 /nfs/dbraw/zinc/45/80/37/458458037.db2.gz TXNKOHKPFKWXEQ-NHYWBVRUSA-N 2 2 327.241 3.307 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000423571556 458458122 /nfs/dbraw/zinc/45/81/22/458458122.db2.gz XSFOXMWHVVGOTE-SMDDNHRTSA-N 2 2 344.240 3.084 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273256 458523004 /nfs/dbraw/zinc/52/30/04/458523004.db2.gz VNKNMABJPJXLLU-CJNGLKHVSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273256 458523010 /nfs/dbraw/zinc/52/30/10/458523010.db2.gz VNKNMABJPJXLLU-CJNGLKHVSA-N 2 2 340.920 3.313 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)C[C@H]2C1 ZINC000424304947 458610573 /nfs/dbraw/zinc/61/05/73/458610573.db2.gz RHEGAKCMDILTOL-UTYXMITFSA-N 2 2 343.515 3.400 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612351 458644544 /nfs/dbraw/zinc/64/45/44/458644544.db2.gz FRIJFSNVSVMVFO-JKSUJKDBSA-N 2 2 341.499 3.498 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612351 458644550 /nfs/dbraw/zinc/64/45/50/458644550.db2.gz FRIJFSNVSVMVFO-JKSUJKDBSA-N 2 2 341.499 3.498 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030342 458665652 /nfs/dbraw/zinc/66/56/52/458665652.db2.gz SVXSXQXQPNXXLS-MSOLQXFVSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030342 458665658 /nfs/dbraw/zinc/66/56/58/458665658.db2.gz SVXSXQXQPNXXLS-MSOLQXFVSA-N 2 2 349.906 3.076 10 0 EGAELP Cc1cccn2c(CNc3[nH+]c4cc(Cl)ccc4n3C)c[nH+]c12 ZINC000463496864 458704775 /nfs/dbraw/zinc/70/47/75/458704775.db2.gz MZBNGSBUBVGBBK-UHFFFAOYSA-N 2 2 325.803 3.217 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000530217232 458719282 /nfs/dbraw/zinc/71/92/82/458719282.db2.gz SJNRGUQCOSCOSF-XSDIEEQYSA-N 3 2 339.527 3.304 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000530217232 458719286 /nfs/dbraw/zinc/71/92/86/458719286.db2.gz SJNRGUQCOSCOSF-XSDIEEQYSA-N 3 2 339.527 3.304 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000530221045 458722353 /nfs/dbraw/zinc/72/23/53/458722353.db2.gz WCGSJBZRVVEJRM-XHVZSJERSA-N 2 2 345.231 3.287 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000530221045 458722355 /nfs/dbraw/zinc/72/23/55/458722355.db2.gz WCGSJBZRVVEJRM-XHVZSJERSA-N 2 2 345.231 3.287 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244751 458728888 /nfs/dbraw/zinc/72/88/88/458728888.db2.gz PWUNEEONQZPHIA-RHSMWYFYSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244751 458728893 /nfs/dbraw/zinc/72/88/93/458728893.db2.gz PWUNEEONQZPHIA-RHSMWYFYSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245565 458729101 /nfs/dbraw/zinc/72/91/01/458729101.db2.gz ZDZHIBWMLHZLNE-WMLDXEAASA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245565 458729104 /nfs/dbraw/zinc/72/91/04/458729104.db2.gz ZDZHIBWMLHZLNE-WMLDXEAASA-N 2 2 326.843 3.119 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000518205834 458848803 /nfs/dbraw/zinc/84/88/03/458848803.db2.gz WLXHJTBFGXSSHJ-BZUAXINKSA-N 2 2 332.492 3.088 10 0 EGAELP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000518999636 458907020 /nfs/dbraw/zinc/90/70/20/458907020.db2.gz IHOVXQYWWHOMIH-QGZVFWFLSA-N 2 2 338.879 3.083 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000441384706 458933512 /nfs/dbraw/zinc/93/35/12/458933512.db2.gz NBLRFPVPSYSRGB-WMZOPIPTSA-N 2 2 342.487 3.134 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823214 459005713 /nfs/dbraw/zinc/00/57/13/459005713.db2.gz FRYRDMULXDWCGH-LSDHHAIUSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823214 459005718 /nfs/dbraw/zinc/00/57/18/459005718.db2.gz FRYRDMULXDWCGH-LSDHHAIUSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823214 459005722 /nfs/dbraw/zinc/00/57/22/459005722.db2.gz FRYRDMULXDWCGH-LSDHHAIUSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823214 459005726 /nfs/dbraw/zinc/00/57/26/459005726.db2.gz FRYRDMULXDWCGH-LSDHHAIUSA-N 2 2 347.532 3.139 10 0 EGAELP C[C@H](C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126627 459090392 /nfs/dbraw/zinc/09/03/92/459090392.db2.gz RDJUWNANYNYZHI-NQIIRXRSSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126627 459090396 /nfs/dbraw/zinc/09/03/96/459090396.db2.gz RDJUWNANYNYZHI-NQIIRXRSSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126627 459090404 /nfs/dbraw/zinc/09/04/04/459090404.db2.gz RDJUWNANYNYZHI-NQIIRXRSSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126627 459090412 /nfs/dbraw/zinc/09/04/12/459090412.db2.gz RDJUWNANYNYZHI-NQIIRXRSSA-N 2 2 326.484 3.215 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605605 459393441 /nfs/dbraw/zinc/39/34/41/459393441.db2.gz HNXWZGJFUMCNIX-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605605 459393446 /nfs/dbraw/zinc/39/34/46/459393446.db2.gz HNXWZGJFUMCNIX-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591907643 459480010 /nfs/dbraw/zinc/48/00/10/459480010.db2.gz IFPYGWPATRKANM-ROUUACIJSA-N 2 2 343.471 3.083 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591907643 459480015 /nfs/dbraw/zinc/48/00/15/459480015.db2.gz IFPYGWPATRKANM-ROUUACIJSA-N 2 2 343.471 3.083 10 0 EGAELP CC[N@H+](C[C@H](C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527365891 459637131 /nfs/dbraw/zinc/63/71/31/459637131.db2.gz PAKDXQCCZDWVFY-INIZCTEOSA-N 2 2 348.535 3.482 10 0 EGAELP CC[N@@H+](C[C@H](C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527365891 459637138 /nfs/dbraw/zinc/63/71/38/459637138.db2.gz PAKDXQCCZDWVFY-INIZCTEOSA-N 2 2 348.535 3.482 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120614 459718446 /nfs/dbraw/zinc/71/84/46/459718446.db2.gz AJENZUFOUJCFGL-HOJAQTOUSA-N 2 2 339.527 3.398 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120614 459718450 /nfs/dbraw/zinc/71/84/50/459718450.db2.gz AJENZUFOUJCFGL-HOJAQTOUSA-N 2 2 339.527 3.398 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527811943 459747063 /nfs/dbraw/zinc/74/70/63/459747063.db2.gz ZIMQNLOWMHSYBX-MRXNPFEDSA-N 2 2 328.435 3.322 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527811943 459747069 /nfs/dbraw/zinc/74/70/69/459747069.db2.gz ZIMQNLOWMHSYBX-MRXNPFEDSA-N 2 2 328.435 3.322 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811532 459747323 /nfs/dbraw/zinc/74/73/23/459747323.db2.gz KCMKIMGNRIWTAT-IEBWSBKVSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811532 459747330 /nfs/dbraw/zinc/74/73/30/459747330.db2.gz KCMKIMGNRIWTAT-IEBWSBKVSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)OC(C)(C)C ZINC000574158184 459785668 /nfs/dbraw/zinc/78/56/68/459785668.db2.gz LZFCTEYRXLHUQG-GDBMZVCRSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)OC(C)(C)C ZINC000574158184 459785673 /nfs/dbraw/zinc/78/56/73/459785673.db2.gz LZFCTEYRXLHUQG-GDBMZVCRSA-N 2 2 329.444 3.134 10 0 EGAELP COC(=O)[C@H](C)C[N@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000566155389 459815772 /nfs/dbraw/zinc/81/57/72/459815772.db2.gz CVXZVUSITZTAHU-QGZVFWFLSA-N 2 2 326.440 3.244 10 0 EGAELP COC(=O)[C@H](C)C[N@@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000566155389 459815775 /nfs/dbraw/zinc/81/57/75/459815775.db2.gz CVXZVUSITZTAHU-QGZVFWFLSA-N 2 2 326.440 3.244 10 0 EGAELP C[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000585117769 459826167 /nfs/dbraw/zinc/82/61/67/459826167.db2.gz WCBFYPYQNPQAJT-XJKSGUPXSA-N 2 2 335.398 3.024 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000585814581 459855394 /nfs/dbraw/zinc/85/53/94/459855394.db2.gz LWRGUQZULZBYPT-LJQANCHMSA-N 2 2 338.499 3.409 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000585814581 459855397 /nfs/dbraw/zinc/85/53/97/459855397.db2.gz LWRGUQZULZBYPT-LJQANCHMSA-N 2 2 338.499 3.409 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566415813 459861290 /nfs/dbraw/zinc/86/12/90/459861290.db2.gz JXWTXDXXMAGZER-ZDUSSCGKSA-N 2 2 328.441 3.435 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566415813 459861294 /nfs/dbraw/zinc/86/12/94/459861294.db2.gz JXWTXDXXMAGZER-ZDUSSCGKSA-N 2 2 328.441 3.435 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717504 460021046 /nfs/dbraw/zinc/02/10/46/460021046.db2.gz GNWFIYCNSNMUKQ-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717504 460021049 /nfs/dbraw/zinc/02/10/49/460021049.db2.gz GNWFIYCNSNMUKQ-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717504 460021057 /nfs/dbraw/zinc/02/10/57/460021057.db2.gz GNWFIYCNSNMUKQ-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717504 460021063 /nfs/dbraw/zinc/02/10/63/460021063.db2.gz GNWFIYCNSNMUKQ-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000621719437 460025632 /nfs/dbraw/zinc/02/56/32/460025632.db2.gz NHLLZHWKPBAJQF-RXVVDRJESA-N 2 2 349.482 3.405 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000621719437 460025640 /nfs/dbraw/zinc/02/56/40/460025640.db2.gz NHLLZHWKPBAJQF-RXVVDRJESA-N 2 2 349.482 3.405 10 0 EGAELP Clc1cccc(CCCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625543966 460202495 /nfs/dbraw/zinc/20/24/95/460202495.db2.gz BLZAZTKIUSUFLH-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000625960568 460316378 /nfs/dbraw/zinc/31/63/78/460316378.db2.gz MGSYZUZXAISUES-UHFFFAOYSA-N 2 2 338.442 3.084 10 0 EGAELP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000600200907 460435804 /nfs/dbraw/zinc/43/58/04/460435804.db2.gz LIGSFGNKDFZBOU-UHFFFAOYSA-N 2 2 334.451 3.065 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000623356538 460507035 /nfs/dbraw/zinc/50/70/35/460507035.db2.gz WEKNNTKZJZXWHO-FQEVSTJZSA-N 3 2 329.532 3.156 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522040 /nfs/dbraw/zinc/52/20/40/460522040.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 3 2 335.561 3.423 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522045 /nfs/dbraw/zinc/52/20/45/460522045.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522050 /nfs/dbraw/zinc/52/20/50/460522050.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522056 /nfs/dbraw/zinc/52/20/56/460522056.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 3 2 335.561 3.423 10 0 EGAELP c1ccc(N2CCC([NH2+]CC3([C@@H]4CCCCO4)CCC3)CC2)[nH+]c1 ZINC000631731594 460536642 /nfs/dbraw/zinc/53/66/42/460536642.db2.gz QLEYCBPKGRENQC-SFHVURJKSA-N 2 2 329.488 3.379 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623860985 460749106 /nfs/dbraw/zinc/74/91/06/460749106.db2.gz LJUDNZIVIHJYIE-MRXNPFEDSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623860985 460749110 /nfs/dbraw/zinc/74/91/10/460749110.db2.gz LJUDNZIVIHJYIE-MRXNPFEDSA-N 2 2 337.471 3.283 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527169 460795506 /nfs/dbraw/zinc/79/55/06/460795506.db2.gz MICYMYCLORHBOM-XDWAVFMPSA-N 3 2 327.516 3.017 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527169 460795512 /nfs/dbraw/zinc/79/55/12/460795512.db2.gz MICYMYCLORHBOM-XDWAVFMPSA-N 3 2 327.516 3.017 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOCC1 ZINC000629525654 460795659 /nfs/dbraw/zinc/79/56/59/460795659.db2.gz YIFMBXHBCAMMDT-ZDUSSCGKSA-N 2 2 345.270 3.305 10 0 EGAELP O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C[NH+]1CCCC1 ZINC000629579202 460812616 /nfs/dbraw/zinc/81/26/16/460812616.db2.gz BSAPZMMKBUIYRZ-IBGZPJMESA-N 2 2 328.431 3.039 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Nc1ccccc1F ZINC000629601211 460824288 /nfs/dbraw/zinc/82/42/88/460824288.db2.gz AXSIMBVUNJSMFJ-MRXNPFEDSA-N 2 2 333.451 3.151 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Nc1ccccc1F ZINC000629601211 460824290 /nfs/dbraw/zinc/82/42/90/460824290.db2.gz AXSIMBVUNJSMFJ-MRXNPFEDSA-N 2 2 333.451 3.151 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OCC(C)C ZINC000629666838 460856408 /nfs/dbraw/zinc/85/64/08/460856408.db2.gz RSHVQTFFYXFPMX-BGYRXZFFSA-N 2 2 332.488 3.161 10 0 EGAELP COc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OCC(C)C ZINC000629666838 460856412 /nfs/dbraw/zinc/85/64/12/460856412.db2.gz RSHVQTFFYXFPMX-BGYRXZFFSA-N 2 2 332.488 3.161 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123992 460872874 /nfs/dbraw/zinc/87/28/74/460872874.db2.gz VGFPLJOJDGDPCW-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123992 460872877 /nfs/dbraw/zinc/87/28/77/460872877.db2.gz VGFPLJOJDGDPCW-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123185 460873196 /nfs/dbraw/zinc/87/31/96/460873196.db2.gz HJHXRFBMWYSSGH-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123185 460873204 /nfs/dbraw/zinc/87/32/04/460873204.db2.gz HJHXRFBMWYSSGH-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000624189334 460901741 /nfs/dbraw/zinc/90/17/41/460901741.db2.gz FFLOKCPMVHCUEI-YJBOKZPZSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000624189334 460901746 /nfs/dbraw/zinc/90/17/46/460901746.db2.gz FFLOKCPMVHCUEI-YJBOKZPZSA-N 2 2 345.487 3.019 10 0 EGAELP CN(c1nc(N2Cc3ccccc3C2)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000624213413 460915556 /nfs/dbraw/zinc/91/55/56/460915556.db2.gz BPEMTWUXFUWOEF-DFNIBXOVSA-N 2 2 349.482 3.058 10 0 EGAELP CN(c1nc(N2Cc3ccccc3C2)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000624213413 460915565 /nfs/dbraw/zinc/91/55/65/460915565.db2.gz BPEMTWUXFUWOEF-DFNIBXOVSA-N 2 2 349.482 3.058 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccsc1 ZINC000624557811 461053081 /nfs/dbraw/zinc/05/30/81/461053081.db2.gz ZLOIPKAYFSKDTA-RTBURBONSA-N 2 2 330.497 3.378 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccsc1 ZINC000624557811 461053085 /nfs/dbraw/zinc/05/30/85/461053085.db2.gz ZLOIPKAYFSKDTA-RTBURBONSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000624557811 461053086 /nfs/dbraw/zinc/05/30/86/461053086.db2.gz ZLOIPKAYFSKDTA-RTBURBONSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000624557811 461053089 /nfs/dbraw/zinc/05/30/89/461053089.db2.gz ZLOIPKAYFSKDTA-RTBURBONSA-N 2 2 330.497 3.378 10 0 EGAELP Cc1ccc2cc[nH+]c(NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)c2c1 ZINC000624705532 461096324 /nfs/dbraw/zinc/09/63/24/461096324.db2.gz KHILTNYSPOALHU-LJQANCHMSA-N 2 2 348.450 3.251 10 0 EGAELP Cc1ccc2cc[nH+]c(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)c2c1 ZINC000624705532 461096330 /nfs/dbraw/zinc/09/63/30/461096330.db2.gz KHILTNYSPOALHU-LJQANCHMSA-N 2 2 348.450 3.251 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668161973 461148572 /nfs/dbraw/zinc/14/85/72/461148572.db2.gz KXQOYJSOIQXNAR-IEBWSBKVSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668161973 461148577 /nfs/dbraw/zinc/14/85/77/461148577.db2.gz KXQOYJSOIQXNAR-IEBWSBKVSA-N 2 2 349.438 3.210 10 0 EGAELP Fc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265205 461153485 /nfs/dbraw/zinc/15/34/85/461153485.db2.gz OBLFROUILOSTNK-SWLSCSKDSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265205 461153491 /nfs/dbraw/zinc/15/34/91/461153491.db2.gz OBLFROUILOSTNK-SWLSCSKDSA-N 2 2 328.378 3.391 10 0 EGAELP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662280885 461163967 /nfs/dbraw/zinc/16/39/67/461163967.db2.gz GSJKVHBRFDPSTB-VQTJNVASSA-N 2 2 340.467 3.002 10 0 EGAELP Cc1nc2[nH]ccc2c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)[nH+]1 ZINC000649565891 461179214 /nfs/dbraw/zinc/17/92/14/461179214.db2.gz UERNHTFBICUEGI-UHFFFAOYSA-N 2 2 341.381 3.119 10 0 EGAELP Cc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)cn1 ZINC000668274308 461219275 /nfs/dbraw/zinc/21/92/75/461219275.db2.gz ZZSXBODUDQMXEZ-UHFFFAOYSA-N 2 2 333.439 3.383 10 0 EGAELP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(C)c1OCc1ccccn1 ZINC000668538236 461317659 /nfs/dbraw/zinc/31/76/59/461317659.db2.gz XKHAWFUVNREVGI-UHFFFAOYSA-N 2 2 339.483 3.271 10 0 EGAELP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(C)c1OCc1ccccn1 ZINC000668538236 461317662 /nfs/dbraw/zinc/31/76/62/461317662.db2.gz XKHAWFUVNREVGI-UHFFFAOYSA-N 2 2 339.483 3.271 10 0 EGAELP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655769036 461433200 /nfs/dbraw/zinc/43/32/00/461433200.db2.gz BQIFSQMEMFPQCC-LJQANCHMSA-N 2 2 332.463 3.436 10 0 EGAELP C[N@@H+]1CCC[C@]2(CCN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)C1 ZINC000642268378 461483513 /nfs/dbraw/zinc/48/35/13/461483513.db2.gz CAPZAYBHFKTVLL-IBGZPJMESA-N 2 2 339.418 3.172 10 0 EGAELP C[N@H+]1CCC[C@]2(CCN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)C2)C1 ZINC000642268378 461483522 /nfs/dbraw/zinc/48/35/22/461483522.db2.gz CAPZAYBHFKTVLL-IBGZPJMESA-N 2 2 339.418 3.172 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000631085387 461535002 /nfs/dbraw/zinc/53/50/02/461535002.db2.gz TYOBDEHKRLXVGP-FQEVSTJZSA-N 2 2 349.482 3.490 10 0 EGAELP FC1(F)Oc2ccc(CC[NH+]3CCC(n4cc[nH+]c4)CC3)cc2O1 ZINC000659999075 461537758 /nfs/dbraw/zinc/53/77/58/461537758.db2.gz MPFFJEBSUGKRDZ-UHFFFAOYSA-N 2 2 335.354 3.084 10 0 EGAELP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000660005589 461542446 /nfs/dbraw/zinc/54/24/46/461542446.db2.gz AYTOWAWQWQVMOV-CVEARBPZSA-N 2 2 333.524 3.405 10 0 EGAELP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000660005589 461542454 /nfs/dbraw/zinc/54/24/54/461542454.db2.gz AYTOWAWQWQVMOV-CVEARBPZSA-N 2 2 333.524 3.405 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000655943034 461546673 /nfs/dbraw/zinc/54/66/73/461546673.db2.gz CRHSVFHIXRGVES-UHFFFAOYSA-N 2 2 328.378 3.331 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000655943034 461546679 /nfs/dbraw/zinc/54/66/79/461546679.db2.gz CRHSVFHIXRGVES-UHFFFAOYSA-N 2 2 328.378 3.331 10 0 EGAELP Cc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc(-c2ccncc2)[nH+]1 ZINC000643044264 461595271 /nfs/dbraw/zinc/59/52/71/461595271.db2.gz PRTHSVQMKDZOFP-ROUUACIJSA-N 2 2 337.471 3.063 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(F)(F)C(C)(C)C)c2cc1C ZINC000663380383 461603413 /nfs/dbraw/zinc/60/34/13/461603413.db2.gz XLLHBVUINWLSCX-AWEZNQCLSA-N 2 2 339.430 3.285 10 0 EGAELP C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000631236042 461664358 /nfs/dbraw/zinc/66/43/58/461664358.db2.gz VREADMZTWFYUHK-GOSISDBHSA-N 2 2 345.443 3.156 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000653556880 461720711 /nfs/dbraw/zinc/72/07/11/461720711.db2.gz NSNOQSUKOHCYCO-UHFFFAOYSA-N 2 2 334.504 3.097 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000653556880 461720719 /nfs/dbraw/zinc/72/07/19/461720719.db2.gz NSNOQSUKOHCYCO-UHFFFAOYSA-N 2 2 334.504 3.097 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548983 461761120 /nfs/dbraw/zinc/76/11/20/461761120.db2.gz YSINNNXLADUNLA-GHTZIAJQSA-N 3 2 341.543 3.346 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000656701873 461848940 /nfs/dbraw/zinc/84/89/40/461848940.db2.gz FBJZDSIXNCLOMD-RBUKOAKNSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000656701873 461848946 /nfs/dbraw/zinc/84/89/46/461848946.db2.gz FBJZDSIXNCLOMD-RBUKOAKNSA-N 2 2 342.483 3.042 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901339 461875850 /nfs/dbraw/zinc/87/58/50/461875850.db2.gz MQOKBYFMYBYFQC-DAYGRLMNSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901339 461875855 /nfs/dbraw/zinc/87/58/55/461875855.db2.gz MQOKBYFMYBYFQC-DAYGRLMNSA-N 2 2 347.528 3.200 10 0 EGAELP Cc1[nH+]cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)n1-c1ccccc1 ZINC000656791564 461901828 /nfs/dbraw/zinc/90/18/28/461901828.db2.gz FULOZQDPZURJES-NRFANRHFSA-N 2 2 348.450 3.454 10 0 EGAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000653976466 461972649 /nfs/dbraw/zinc/97/26/49/461972649.db2.gz BHHYZVLIUIRABU-FZNQNYSPSA-N 2 2 340.427 3.336 10 0 EGAELP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000644569387 461990057 /nfs/dbraw/zinc/99/00/57/461990057.db2.gz MYTNPRYHPIEPHB-QZTJIDSGSA-N 2 2 334.504 3.014 10 0 EGAELP C[C@@H](CC[NH2+]Cc1cn(C2CCC2)nn1)[N@H+](C)Cc1ccccc1 ZINC000657381392 462085792 /nfs/dbraw/zinc/08/57/92/462085792.db2.gz AEJXECCFSRPCET-INIZCTEOSA-N 2 2 327.476 3.003 10 0 EGAELP C[C@@H](CC[NH2+]Cc1cn(C2CCC2)nn1)[N@@H+](C)Cc1ccccc1 ZINC000657381392 462085795 /nfs/dbraw/zinc/08/57/95/462085795.db2.gz AEJXECCFSRPCET-INIZCTEOSA-N 2 2 327.476 3.003 10 0 EGAELP Cc1ccc(C)c(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667496852 462113060 /nfs/dbraw/zinc/11/30/60/462113060.db2.gz HNNUARWULVAHMP-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP CC[NH+]1CCN(c2ccccc2NCc2[nH+]ccn2C(C)C)CC1 ZINC000657422516 462113880 /nfs/dbraw/zinc/11/38/80/462113880.db2.gz WNRTXAWOKWHDEM-UHFFFAOYSA-N 2 2 327.476 3.218 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000648432439 462117586 /nfs/dbraw/zinc/11/75/86/462117586.db2.gz JSCQTFQDIBMZPW-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000648432439 462117591 /nfs/dbraw/zinc/11/75/91/462117591.db2.gz JSCQTFQDIBMZPW-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432471 462117722 /nfs/dbraw/zinc/11/77/22/462117722.db2.gz MNPDYNHSCROFKK-IINYFYTJSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432471 462117726 /nfs/dbraw/zinc/11/77/26/462117726.db2.gz MNPDYNHSCROFKK-IINYFYTJSA-N 2 2 327.241 3.259 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657432609 462119688 /nfs/dbraw/zinc/11/96/88/462119688.db2.gz HYVQGOABGLQZGJ-XUVXKRRUSA-N 2 2 338.499 3.464 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657432609 462119690 /nfs/dbraw/zinc/11/96/90/462119690.db2.gz HYVQGOABGLQZGJ-XUVXKRRUSA-N 2 2 338.499 3.464 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCCc4ccccc4C3)CC2)CC1 ZINC000648439134 462120081 /nfs/dbraw/zinc/12/00/81/462120081.db2.gz PWDJYBIWZYYKAJ-NRFANRHFSA-N 3 2 341.543 3.082 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657468666 462142482 /nfs/dbraw/zinc/14/24/82/462142482.db2.gz ASMBHHXSALYZPC-IBGZPJMESA-N 2 2 338.499 3.221 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657468666 462142485 /nfs/dbraw/zinc/14/24/85/462142485.db2.gz ASMBHHXSALYZPC-IBGZPJMESA-N 2 2 338.499 3.221 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522296 462164909 /nfs/dbraw/zinc/16/49/09/462164909.db2.gz CQFPVRPZUBVAIH-INIZCTEOSA-N 2 2 328.460 3.048 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522296 462164917 /nfs/dbraw/zinc/16/49/17/462164917.db2.gz CQFPVRPZUBVAIH-INIZCTEOSA-N 2 2 328.460 3.048 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000657524802 462168134 /nfs/dbraw/zinc/16/81/34/462168134.db2.gz RSJXLBILXSJZLW-IEBWSBKVSA-N 2 2 332.488 3.207 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000657524802 462168137 /nfs/dbraw/zinc/16/81/37/462168137.db2.gz RSJXLBILXSJZLW-IEBWSBKVSA-N 2 2 332.488 3.207 10 0 EGAELP OC(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)(C1CC1)C1CC1 ZINC000657699052 462233574 /nfs/dbraw/zinc/23/35/74/462233574.db2.gz BPJRZZJIRCIZDM-UHFFFAOYSA-N 2 2 348.918 3.445 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000648890068 462319351 /nfs/dbraw/zinc/31/93/51/462319351.db2.gz BTDXEYNYTBOUFU-JKSUJKDBSA-N 2 2 343.475 3.367 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)c[nH+]c12 ZINC000667948992 462340824 /nfs/dbraw/zinc/34/08/24/462340824.db2.gz UPNPHIGEUFDGIG-CQSZACIVSA-N 2 2 343.456 3.129 10 0 EGAELP Cc1ccc(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cn1 ZINC000667967055 462351532 /nfs/dbraw/zinc/35/15/32/462351532.db2.gz BNLYGLIRNBMGEW-UHFFFAOYSA-N 2 2 333.439 3.350 10 0 EGAELP c1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000667987747 462362276 /nfs/dbraw/zinc/36/22/76/462362276.db2.gz QBMKQICTORFNMO-UHFFFAOYSA-N 2 2 344.422 3.242 10 0 EGAELP FCC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690872 462367481 /nfs/dbraw/zinc/36/74/81/462367481.db2.gz WFHISXSLJOJZFI-PMACEKPBSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690872 462367486 /nfs/dbraw/zinc/36/74/86/462367486.db2.gz WFHISXSLJOJZFI-PMACEKPBSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690872 462367490 /nfs/dbraw/zinc/36/74/90/462367490.db2.gz WFHISXSLJOJZFI-PMACEKPBSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690872 462367496 /nfs/dbraw/zinc/36/74/96/462367496.db2.gz WFHISXSLJOJZFI-PMACEKPBSA-N 2 2 334.479 3.349 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncs2)cc1 ZINC000665255174 462372032 /nfs/dbraw/zinc/37/20/32/462372032.db2.gz KPBBETVRCFLOJF-JQFCIGGWSA-N 2 2 331.485 3.338 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277270 462381113 /nfs/dbraw/zinc/38/11/13/462381113.db2.gz XWUWDBWZBWHBRH-SESVDKBCSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277270 462381119 /nfs/dbraw/zinc/38/11/19/462381119.db2.gz XWUWDBWZBWHBRH-SESVDKBCSA-N 3 2 341.543 3.409 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661828775 462428777 /nfs/dbraw/zinc/42/87/77/462428777.db2.gz WDABKZLHYTVZGE-OALUTQOASA-N 2 2 327.472 3.408 10 0 EGAELP C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+]1CCOCC1 ZINC000652153221 462453656 /nfs/dbraw/zinc/45/36/56/462453656.db2.gz DHJNLYHZTPGXJW-PXNSSMCTSA-N 2 2 331.504 3.261 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3OC)no2)CC1 ZINC000658356882 462488451 /nfs/dbraw/zinc/48/84/51/462488451.db2.gz MRJAMDJOSRNVAA-UHFFFAOYSA-N 2 2 329.444 3.314 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415021 462503541 /nfs/dbraw/zinc/50/35/41/462503541.db2.gz FGKRCUBWSLXGEH-ZBFHGGJFSA-N 2 2 330.451 3.159 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415021 462503542 /nfs/dbraw/zinc/50/35/42/462503542.db2.gz FGKRCUBWSLXGEH-ZBFHGGJFSA-N 2 2 330.451 3.159 10 0 EGAELP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(CO)CC=CC1 ZINC000646085066 462513323 /nfs/dbraw/zinc/51/33/23/462513323.db2.gz LULHIGDQZFZWCZ-IBGZPJMESA-N 2 2 325.456 3.315 10 0 EGAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000180935490 534226346 /nfs/dbraw/zinc/22/63/46/534226346.db2.gz GDXJAWTUAYWNGE-HOTGVXAUSA-N 2 2 327.428 3.266 10 0 EGAELP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181939407 534500473 /nfs/dbraw/zinc/50/04/73/534500473.db2.gz AZKJEASQPUWSPR-QGZVFWFLSA-N 2 2 338.386 3.410 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179621962 527733769 /nfs/dbraw/zinc/73/37/69/527733769.db2.gz RYWGYALECNILNY-KRWDZBQOSA-N 2 2 335.879 3.295 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774154 527752966 /nfs/dbraw/zinc/75/29/66/527752966.db2.gz MWGJELALYALEMJ-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774154 527752969 /nfs/dbraw/zinc/75/29/69/527752969.db2.gz MWGJELALYALEMJ-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774154 527752972 /nfs/dbraw/zinc/75/29/72/527752972.db2.gz MWGJELALYALEMJ-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774154 527752974 /nfs/dbraw/zinc/75/29/74/527752974.db2.gz MWGJELALYALEMJ-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158991193 529165366 /nfs/dbraw/zinc/16/53/66/529165366.db2.gz YWAXORGIAUIKTF-RTBURBONSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158991193 529165369 /nfs/dbraw/zinc/16/53/69/529165369.db2.gz YWAXORGIAUIKTF-RTBURBONSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158991193 529165372 /nfs/dbraw/zinc/16/53/72/529165372.db2.gz YWAXORGIAUIKTF-RTBURBONSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158991193 529165375 /nfs/dbraw/zinc/16/53/75/529165375.db2.gz YWAXORGIAUIKTF-RTBURBONSA-N 2 2 343.515 3.166 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672943 546539873 /nfs/dbraw/zinc/53/98/73/546539873.db2.gz WBPAWCVLDDYHKE-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672943 546539878 /nfs/dbraw/zinc/53/98/78/546539878.db2.gz WBPAWCVLDDYHKE-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccccc1C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000119584318 546707035 /nfs/dbraw/zinc/70/70/35/546707035.db2.gz IERZAPCEHFJMHX-SFHVURJKSA-N 2 2 342.483 3.013 10 0 EGAELP Fc1cccc(-c2cnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)c1 ZINC000151251042 546853141 /nfs/dbraw/zinc/85/31/41/546853141.db2.gz ONQQSNRBLSRHPV-UHFFFAOYSA-N 2 2 338.386 3.198 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754241 547269428 /nfs/dbraw/zinc/26/94/28/547269428.db2.gz YBWZMBPCVOBMKN-RHSMWYFYSA-N 2 2 334.826 3.052 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754241 547269432 /nfs/dbraw/zinc/26/94/32/547269432.db2.gz YBWZMBPCVOBMKN-RHSMWYFYSA-N 2 2 334.826 3.052 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206017 547804412 /nfs/dbraw/zinc/80/44/12/547804412.db2.gz BSASQPCQDJNLHF-CQSZACIVSA-N 2 2 337.427 3.324 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542563 547823717 /nfs/dbraw/zinc/82/37/17/547823717.db2.gz RMXMIUOQRVMBNL-VLCRHTCISA-N 3 2 339.527 3.113 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542563 547823720 /nfs/dbraw/zinc/82/37/20/547823720.db2.gz RMXMIUOQRVMBNL-VLCRHTCISA-N 3 2 339.527 3.113 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000674372992 548740582 /nfs/dbraw/zinc/74/05/82/548740582.db2.gz PCDUMTJIKSRHON-UHFFFAOYSA-N 2 2 327.472 3.375 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879594 548821075 /nfs/dbraw/zinc/82/10/75/548821075.db2.gz UJPJEKVMTOPRGW-LDMBFOFVSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879594 548821077 /nfs/dbraw/zinc/82/10/77/548821077.db2.gz UJPJEKVMTOPRGW-LDMBFOFVSA-N 2 2 332.332 3.436 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632817 549120101 /nfs/dbraw/zinc/12/01/01/549120101.db2.gz UHJSRGZPMZHUGJ-RTWAWAEBSA-N 2 2 340.467 3.022 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632817 549120106 /nfs/dbraw/zinc/12/01/06/549120106.db2.gz UHJSRGZPMZHUGJ-RTWAWAEBSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632817 549120111 /nfs/dbraw/zinc/12/01/11/549120111.db2.gz UHJSRGZPMZHUGJ-RTWAWAEBSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632817 549120115 /nfs/dbraw/zinc/12/01/15/549120115.db2.gz UHJSRGZPMZHUGJ-RTWAWAEBSA-N 2 2 340.467 3.022 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000678926118 549596319 /nfs/dbraw/zinc/59/63/19/549596319.db2.gz UKGYDAZTPZVITK-OKZBNKHCSA-N 2 2 327.472 3.497 10 0 EGAELP C[C@@H](Cc1cccs1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044812 549624767 /nfs/dbraw/zinc/62/47/67/549624767.db2.gz QYJNSHYINPXYTL-PXNSSMCTSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@@H](Cc1cccs1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044812 549624770 /nfs/dbraw/zinc/62/47/70/549624770.db2.gz QYJNSHYINPXYTL-PXNSSMCTSA-N 2 2 344.524 3.296 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)[nH+]c12 ZINC000682732061 550137775 /nfs/dbraw/zinc/13/77/75/550137775.db2.gz DHQFKTXPWNVCAB-BHIYHBOVSA-N 2 2 327.472 3.370 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)[nH+]c12 ZINC000684928179 550385350 /nfs/dbraw/zinc/38/53/50/550385350.db2.gz SXJDIYZSVXCDEQ-RCCFBDPRSA-N 2 2 327.472 3.370 10 0 EGAELP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391096 576778272 /nfs/dbraw/zinc/77/82/72/576778272.db2.gz CUZQYAUJGDHGKO-ZDUSSCGKSA-N 2 2 349.360 3.482 10 0 EGAELP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000042186225 1291433396 /nfs/dbraw/zinc/43/33/96/1291433396.db2.gz FSDQREUJBUWYLQ-UHFFFAOYSA-N 2 2 341.386 3.318 10 0 EGAELP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(N(C)C)[nH+]1 ZINC000122842068 1293425989 /nfs/dbraw/zinc/42/59/89/1293425989.db2.gz YBEWEEWPQVNTNV-UHFFFAOYSA-N 2 2 338.455 3.304 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148685 1296766699 /nfs/dbraw/zinc/76/66/99/1296766699.db2.gz HBTNWWARLMTZAE-GJZGRUSLSA-N 2 2 330.394 3.388 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148685 1296766709 /nfs/dbraw/zinc/76/67/09/1296766709.db2.gz HBTNWWARLMTZAE-GJZGRUSLSA-N 2 2 330.394 3.388 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C(F)(F)F ZINC000872150399 1296770779 /nfs/dbraw/zinc/77/07/79/1296770779.db2.gz DZTLJWKKADAAEQ-WCQYABFASA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C(F)(F)F ZINC000872150399 1296770786 /nfs/dbraw/zinc/77/07/86/1296770786.db2.gz DZTLJWKKADAAEQ-WCQYABFASA-N 2 2 343.780 3.457 10 0 EGAELP c1cn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)sc2n1 ZINC000892524462 1305422675 /nfs/dbraw/zinc/42/26/75/1305422675.db2.gz MSGXWOMJIKCQJQ-UHFFFAOYSA-N 2 2 340.496 3.193 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894017662 1306175631 /nfs/dbraw/zinc/17/56/31/1306175631.db2.gz RCBYHNJNDFZZRU-MJGOQNOKSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894017662 1306175634 /nfs/dbraw/zinc/17/56/34/1306175634.db2.gz RCBYHNJNDFZZRU-MJGOQNOKSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000894017662 1306175641 /nfs/dbraw/zinc/17/56/41/1306175641.db2.gz RCBYHNJNDFZZRU-MJGOQNOKSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000894017662 1306175644 /nfs/dbraw/zinc/17/56/44/1306175644.db2.gz RCBYHNJNDFZZRU-MJGOQNOKSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000894288438 1306323163 /nfs/dbraw/zinc/32/31/63/1306323163.db2.gz UWTNIKBBTUGXDV-PBHICJAKSA-N 2 2 330.501 3.206 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288438 1306323172 /nfs/dbraw/zinc/32/31/72/1306323172.db2.gz UWTNIKBBTUGXDV-PBHICJAKSA-N 2 2 330.501 3.206 10 0 EGAELP c1cn2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)sc2n1 ZINC000894470628 1308907230 /nfs/dbraw/zinc/90/72/30/1308907230.db2.gz CNKJZCLKGHOAFP-UHFFFAOYSA-N 2 2 329.473 3.285 10 0 EGAELP COC(=O)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895110204 1309194842 /nfs/dbraw/zinc/19/48/42/1309194842.db2.gz CXPBOUXKWXXHPO-IYARVYRRSA-N 2 2 339.439 3.145 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1)C(C)C ZINC000898902699 1310866445 /nfs/dbraw/zinc/86/64/45/1310866445.db2.gz RFVDTWPLKPNICI-UHFFFAOYSA-N 2 2 342.487 3.279 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1)C(C)C ZINC000898902699 1310866450 /nfs/dbraw/zinc/86/64/50/1310866450.db2.gz RFVDTWPLKPNICI-UHFFFAOYSA-N 2 2 342.487 3.279 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532623 1322342920 /nfs/dbraw/zinc/34/29/20/1322342920.db2.gz MBIGXBAXUSTYTO-ZACQAIPSSA-N 2 2 339.524 3.144 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532623 1322342923 /nfs/dbraw/zinc/34/29/23/1322342923.db2.gz MBIGXBAXUSTYTO-ZACQAIPSSA-N 2 2 339.524 3.144 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000922956248 1322661320 /nfs/dbraw/zinc/66/13/20/1322661320.db2.gz RCYSKSFOTBUERK-SGSXCFNPSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000922956248 1322661325 /nfs/dbraw/zinc/66/13/25/1322661325.db2.gz RCYSKSFOTBUERK-SGSXCFNPSA-N 2 2 328.500 3.468 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924647628 1323092348 /nfs/dbraw/zinc/09/23/48/1323092348.db2.gz GDVATKWJAOWLHT-XHDPSFHLSA-N 2 2 335.249 3.096 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000924587198 1323065547 /nfs/dbraw/zinc/06/55/47/1323065547.db2.gz RYPDTOQMGVIRTM-MRXNPFEDSA-N 2 2 341.503 3.443 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924672578 1323105987 /nfs/dbraw/zinc/10/59/87/1323105987.db2.gz UELSSKCJQMRBJJ-SFTDATJTSA-N 2 2 346.515 3.346 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924672578 1323105990 /nfs/dbraw/zinc/10/59/90/1323105990.db2.gz UELSSKCJQMRBJJ-SFTDATJTSA-N 2 2 346.515 3.346 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)n1 ZINC000924708061 1323124915 /nfs/dbraw/zinc/12/49/15/1323124915.db2.gz OKANGYJZFNINJT-OAHLLOKOSA-N 2 2 329.492 3.299 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cn1 ZINC000924722920 1323133727 /nfs/dbraw/zinc/13/37/27/1323133727.db2.gz JADQYNFXQGWYOZ-AWEZNQCLSA-N 2 2 336.443 3.348 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cn1 ZINC000924723260 1323134433 /nfs/dbraw/zinc/13/44/33/1323134433.db2.gz KDHNHGWCEVVUFF-MRXNPFEDSA-N 2 2 339.830 3.401 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccns1 ZINC000924775803 1323156263 /nfs/dbraw/zinc/15/62/63/1323156263.db2.gz ISYICXJXZKFWRP-HUUCEWRRSA-N 2 2 331.485 3.215 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccns1 ZINC000924775803 1323156278 /nfs/dbraw/zinc/15/62/78/1323156278.db2.gz ISYICXJXZKFWRP-HUUCEWRRSA-N 2 2 331.485 3.215 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)n(C)n1 ZINC000924925597 1323215746 /nfs/dbraw/zinc/21/57/46/1323215746.db2.gz HZGWENDIIXYNKJ-IEBWSBKVSA-N 2 2 341.503 3.317 10 0 EGAELP c1ccc(CSCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285658 1329085568 /nfs/dbraw/zinc/08/55/68/1329085568.db2.gz NUOYCOMHYFFQKU-UHFFFAOYSA-N 2 2 334.529 3.107 10 0 EGAELP c1ccc(CSCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285658 1329085572 /nfs/dbraw/zinc/08/55/72/1329085572.db2.gz NUOYCOMHYFFQKU-UHFFFAOYSA-N 2 2 334.529 3.107 10 0 EGAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306733 1329090424 /nfs/dbraw/zinc/09/04/24/1329090424.db2.gz LUSVGQSNBRIWMI-YESZJQIVSA-N 2 2 342.405 3.012 10 0 EGAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306733 1329090426 /nfs/dbraw/zinc/09/04/26/1329090426.db2.gz LUSVGQSNBRIWMI-YESZJQIVSA-N 2 2 342.405 3.012 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306733 1329090429 /nfs/dbraw/zinc/09/04/29/1329090429.db2.gz LUSVGQSNBRIWMI-YESZJQIVSA-N 2 2 342.405 3.012 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306733 1329090433 /nfs/dbraw/zinc/09/04/33/1329090433.db2.gz LUSVGQSNBRIWMI-YESZJQIVSA-N 2 2 342.405 3.012 10 0 EGAELP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000931347855 1329099423 /nfs/dbraw/zinc/09/94/23/1329099423.db2.gz BIHLLSIUSKPJJW-GOSISDBHSA-N 2 2 348.531 3.140 10 0 EGAELP Nc1cc[nH+]c2c1C[N@H+](CCc1cccc(OC(F)(F)F)c1)CC2 ZINC000931515309 1329133782 /nfs/dbraw/zinc/13/37/82/1329133782.db2.gz TUMRRWKRFPGPDD-UHFFFAOYSA-N 2 2 337.345 3.163 10 0 EGAELP Nc1cc[nH+]c2c1C[N@@H+](CCc1cccc(OC(F)(F)F)c1)CC2 ZINC000931515309 1329133786 /nfs/dbraw/zinc/13/37/86/1329133786.db2.gz TUMRRWKRFPGPDD-UHFFFAOYSA-N 2 2 337.345 3.163 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000925184554 1325075047 /nfs/dbraw/zinc/07/50/47/1325075047.db2.gz RBOFBSLJRSIBST-RYUDHWBXSA-N 2 2 333.423 3.311 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000925184554 1325075053 /nfs/dbraw/zinc/07/50/53/1325075053.db2.gz RBOFBSLJRSIBST-RYUDHWBXSA-N 2 2 333.423 3.311 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1-c1ccccn1 ZINC000925444799 1325152844 /nfs/dbraw/zinc/15/28/44/1325152844.db2.gz WWSLAQPVIPFXNO-FUHWJXTLSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)nc1-c1ccccn1 ZINC000925444799 1325152851 /nfs/dbraw/zinc/15/28/51/1325152851.db2.gz WWSLAQPVIPFXNO-FUHWJXTLSA-N 2 2 342.512 3.354 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925547287 1325202090 /nfs/dbraw/zinc/20/20/90/1325202090.db2.gz NFLVDCNUGBWGNW-IBGZPJMESA-N 2 2 332.488 3.004 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925547288 1325202742 /nfs/dbraw/zinc/20/27/42/1325202742.db2.gz NFLVDCNUGBWGNW-LJQANCHMSA-N 2 2 332.488 3.004 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000925731224 1325272816 /nfs/dbraw/zinc/27/28/16/1325272816.db2.gz SPAHQVDTQPXPAI-RXVVDRJESA-N 2 2 343.515 3.446 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777333 1325297622 /nfs/dbraw/zinc/29/76/22/1325297622.db2.gz DFCQJNAWXZBIDZ-VXGBXAGGSA-N 2 2 334.357 3.492 10 0 EGAELP CCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC)cc1 ZINC000925793112 1325304389 /nfs/dbraw/zinc/30/43/89/1325304389.db2.gz HSIOTUCEAZDBLH-MJGOQNOKSA-N 2 2 332.488 3.285 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)S4)[nH+]c2)C1 ZINC000925935797 1325364348 /nfs/dbraw/zinc/36/43/48/1325364348.db2.gz IJGUPTQZBFGERF-VDBQLOCMSA-N 2 2 332.517 3.060 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926402091 1325541132 /nfs/dbraw/zinc/54/11/32/1325541132.db2.gz RZBPJIYWSKGWFE-WOJBJXKFSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926402091 1325541137 /nfs/dbraw/zinc/54/11/37/1325541137.db2.gz RZBPJIYWSKGWFE-WOJBJXKFSA-N 2 2 332.488 3.208 10 0 EGAELP c1cn(C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c2ccccc2)c[nH+]1 ZINC000926866431 1327746737 /nfs/dbraw/zinc/74/67/37/1327746737.db2.gz WLYCSYDZQAPZBN-HAGHYFMRSA-N 2 2 325.456 3.419 10 0 EGAELP CCO[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000926958902 1327797979 /nfs/dbraw/zinc/79/79/79/1327797979.db2.gz IGMXSQIIGCOFDL-CJNGLKHVSA-N 2 2 345.409 3.034 10 0 EGAELP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926961240 1327798795 /nfs/dbraw/zinc/79/87/95/1327798795.db2.gz XQHJLPKLNKHINK-BBRMVZONSA-N 2 2 340.393 3.406 10 0 EGAELP c1ccc([C@]2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCCO2)cc1 ZINC000927116107 1327873175 /nfs/dbraw/zinc/87/31/75/1327873175.db2.gz RUDMVDSPHFLEMB-OAQYLSRUSA-N 2 2 337.467 3.346 10 0 EGAELP C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431734 1329486399 /nfs/dbraw/zinc/48/63/99/1329486399.db2.gz SDHRICCPMKWRTA-JXFKEZNVSA-N 2 2 325.456 3.224 10 0 EGAELP C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431734 1329486401 /nfs/dbraw/zinc/48/64/01/1329486401.db2.gz SDHRICCPMKWRTA-JXFKEZNVSA-N 2 2 325.456 3.224 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)c1 ZINC000865437948 1329697447 /nfs/dbraw/zinc/69/74/47/1329697447.db2.gz IOHWVFRKBUETHJ-HNNXBMFYSA-N 2 2 330.501 3.281 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)c1 ZINC000865437948 1329697448 /nfs/dbraw/zinc/69/74/48/1329697448.db2.gz IOHWVFRKBUETHJ-HNNXBMFYSA-N 2 2 330.501 3.281 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866237224 1330083069 /nfs/dbraw/zinc/08/30/69/1330083069.db2.gz IEEOCPMOLXPNCP-QUCCMNQESA-N 2 2 344.430 3.188 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866392398 1330105726 /nfs/dbraw/zinc/10/57/26/1330105726.db2.gz CILAXXJNLVEKFB-TZMCWYRMSA-N 2 2 349.862 3.385 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc12 ZINC000866411284 1330108326 /nfs/dbraw/zinc/10/83/26/1330108326.db2.gz IDYBYVCBHMDBDE-HOTGVXAUSA-N 2 2 342.483 3.344 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc12 ZINC000866411284 1330108329 /nfs/dbraw/zinc/10/83/29/1330108329.db2.gz IDYBYVCBHMDBDE-HOTGVXAUSA-N 2 2 342.483 3.344 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516998 1330121136 /nfs/dbraw/zinc/12/11/36/1330121136.db2.gz UOQNPYZISCFOBD-KJJOEJEFSA-N 3 2 344.547 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516998 1330121138 /nfs/dbraw/zinc/12/11/38/1330121138.db2.gz UOQNPYZISCFOBD-KJJOEJEFSA-N 3 2 344.547 3.145 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611781 1330132875 /nfs/dbraw/zinc/13/28/75/1330132875.db2.gz WUIDMKGTAVZXLD-YOEHRIQHSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611781 1330132876 /nfs/dbraw/zinc/13/28/76/1330132876.db2.gz WUIDMKGTAVZXLD-YOEHRIQHSA-N 2 2 349.450 3.194 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702898 1330142243 /nfs/dbraw/zinc/14/22/43/1330142243.db2.gz DMNZDWWNMUPUTK-LIRRHRJNSA-N 2 2 349.544 3.432 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702898 1330142244 /nfs/dbraw/zinc/14/22/44/1330142244.db2.gz DMNZDWWNMUPUTK-LIRRHRJNSA-N 2 2 349.544 3.432 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704790 1330142819 /nfs/dbraw/zinc/14/28/19/1330142819.db2.gz XXNNIWFOMFYHPX-FQEVSTJZSA-N 2 2 331.504 3.445 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704790 1330142821 /nfs/dbraw/zinc/14/28/21/1330142821.db2.gz XXNNIWFOMFYHPX-FQEVSTJZSA-N 2 2 331.504 3.445 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705909 1330142993 /nfs/dbraw/zinc/14/29/93/1330142993.db2.gz JGXKCVAPPNQGGG-YWZLYKJASA-N 2 2 342.487 3.418 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705909 1330142994 /nfs/dbraw/zinc/14/29/94/1330142994.db2.gz JGXKCVAPPNQGGG-YWZLYKJASA-N 2 2 342.487 3.418 10 0 EGAELP Cc1nc(N[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(C)c(C)[nH+]1 ZINC000952867890 1334583547 /nfs/dbraw/zinc/58/35/47/1334583547.db2.gz VJBJEQAJQGRQPV-QGZVFWFLSA-N 2 2 326.444 3.184 10 0 EGAELP Cc1nc(N[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(C)c(C)[nH+]1 ZINC000952867890 1334583549 /nfs/dbraw/zinc/58/35/49/1334583549.db2.gz VJBJEQAJQGRQPV-QGZVFWFLSA-N 2 2 326.444 3.184 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001323813918 1387466049 /nfs/dbraw/zinc/46/60/49/1387466049.db2.gz VJGRPPGHAATGCT-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001323813918 1387466052 /nfs/dbraw/zinc/46/60/52/1387466052.db2.gz VJGRPPGHAATGCT-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728929 1368882229 /nfs/dbraw/zinc/88/22/29/1368882229.db2.gz RILSVOILCURLMO-MRXNPFEDSA-N 2 2 339.524 3.098 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728929 1368882233 /nfs/dbraw/zinc/88/22/33/1368882233.db2.gz RILSVOILCURLMO-MRXNPFEDSA-N 2 2 339.524 3.098 10 0 EGAELP Cn1cc(-c2ccc(C[N@H+](CC[NH3+])CCc3ccccc3)cc2)cn1 ZINC001118243066 1371152820 /nfs/dbraw/zinc/15/28/20/1371152820.db2.gz NRPCQPIZBPKNJB-UHFFFAOYSA-N 2 2 334.467 3.091 10 0 EGAELP Cn1cc(-c2ccc(C[N@@H+](CC[NH3+])CCc3ccccc3)cc2)cn1 ZINC001118243066 1371152822 /nfs/dbraw/zinc/15/28/22/1371152822.db2.gz NRPCQPIZBPKNJB-UHFFFAOYSA-N 2 2 334.467 3.091 10 0 EGAELP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119631574 1371379132 /nfs/dbraw/zinc/37/91/32/1371379132.db2.gz YJIIHIWBDDFCFR-BEFAXECRSA-N 2 2 339.483 3.294 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)cc2)cn1 ZINC001327038154 1388367505 /nfs/dbraw/zinc/36/75/05/1388367505.db2.gz JGBQWELGQGBRNV-FGZHOGPDSA-N 2 2 346.478 3.322 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265708060 1377163008 /nfs/dbraw/zinc/16/30/08/1377163008.db2.gz JGCZHLMEMKTCLC-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001265708060 1377163011 /nfs/dbraw/zinc/16/30/11/1377163011.db2.gz JGCZHLMEMKTCLC-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1)n1cc[nH+]c1 ZINC001270851307 1377615928 /nfs/dbraw/zinc/61/59/28/1377615928.db2.gz KPHIKMCDDYFWRW-GOSISDBHSA-N 2 2 346.519 3.051 10 0 EGAELP CC1(C)C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001282846703 1378639699 /nfs/dbraw/zinc/63/96/99/1378639699.db2.gz WXGGCTMLKJDLRZ-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001282846703 1378639704 /nfs/dbraw/zinc/63/97/04/1378639704.db2.gz WXGGCTMLKJDLRZ-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001282968332 1378691168 /nfs/dbraw/zinc/69/11/68/1378691168.db2.gz UBDTXPXYXNWKCA-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001282968332 1378691172 /nfs/dbraw/zinc/69/11/72/1378691172.db2.gz UBDTXPXYXNWKCA-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691768 1379120782 /nfs/dbraw/zinc/12/07/82/1379120782.db2.gz NADWSGAPLKRYLC-HZPDHXFCSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691768 1379120783 /nfs/dbraw/zinc/12/07/83/1379120783.db2.gz NADWSGAPLKRYLC-HZPDHXFCSA-N 2 2 348.535 3.241 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]1C ZINC001283883685 1379228216 /nfs/dbraw/zinc/22/82/16/1379228216.db2.gz DRRJQNYBQKQVRK-WBVHZDCISA-N 2 2 347.503 3.038 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284060161 1379413202 /nfs/dbraw/zinc/41/32/02/1379413202.db2.gz ZZYXNMPKNZOHSI-FXAWDEMLSA-N 2 2 346.519 3.046 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284060161 1379413206 /nfs/dbraw/zinc/41/32/06/1379413206.db2.gz ZZYXNMPKNZOHSI-FXAWDEMLSA-N 2 2 346.519 3.046 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196666 1379589805 /nfs/dbraw/zinc/58/98/05/1379589805.db2.gz NCJGIYJJYFHUFZ-IAGOWNOFSA-N 2 2 342.487 3.403 10 0 EGAELP CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCCCCF ZINC001284293366 1379681321 /nfs/dbraw/zinc/68/13/21/1379681321.db2.gz OWRLVFQEPJYDMT-QGZVFWFLSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284596625 1379997699 /nfs/dbraw/zinc/99/76/99/1379997699.db2.gz ACDNRHGSEVOCAU-SFHVURJKSA-N 2 2 348.535 3.433 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284596625 1379997702 /nfs/dbraw/zinc/99/77/02/1379997702.db2.gz ACDNRHGSEVOCAU-SFHVURJKSA-N 2 2 348.535 3.433 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085380 1388667483 /nfs/dbraw/zinc/66/74/83/1388667483.db2.gz KWIHJBFYOTXRFE-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085380 1388667484 /nfs/dbraw/zinc/66/74/84/1388667484.db2.gz KWIHJBFYOTXRFE-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC001328186379 1388686196 /nfs/dbraw/zinc/68/61/96/1388686196.db2.gz UMRQVNPMVICGSJ-SFHVURJKSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC001328186379 1388686199 /nfs/dbraw/zinc/68/61/99/1388686199.db2.gz UMRQVNPMVICGSJ-SFHVURJKSA-N 2 2 348.454 3.047 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)c2)cn1 ZINC001308194457 1384107936 /nfs/dbraw/zinc/10/79/36/1384107936.db2.gz GRLOCKPJSHXTGC-UHFFFAOYSA-N 2 2 349.463 3.468 10 0 EGAELP 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ZINC001317060927 1384833373 /nfs/dbraw/zinc/83/33/73/1384833373.db2.gz PZJXPAAOBLTJRO-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001329070735 1388953074 /nfs/dbraw/zinc/95/30/74/1388953074.db2.gz RUMLENTVHZFGES-HOTGVXAUSA-N 2 2 345.487 3.006 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001317190794 1384964765 /nfs/dbraw/zinc/96/47/65/1384964765.db2.gz XAEZFTGIJKDCMN-KRWDZBQOSA-N 2 2 347.503 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]CCC2CCCCCC2)c[nH+]1 ZINC001317245180 1385018549 /nfs/dbraw/zinc/01/85/49/1385018549.db2.gz FPKSKBFEVARRFM-MRXNPFEDSA-N 2 2 348.535 3.381 10 0 EGAELP CC(C)c1ccc(C(C)[NH2+]C(C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317284866 1385056568 /nfs/dbraw/zinc/05/65/68/1385056568.db2.gz YPVCLIMIPVOBGD-DLBZAZTESA-N 2 2 343.515 3.061 10 0 EGAELP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001329092937 1388967113 /nfs/dbraw/zinc/96/71/13/1388967113.db2.gz XXSZLBFWFYUISQ-IRXDYDNUSA-N 2 2 348.450 3.169 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508037 1385216458 /nfs/dbraw/zinc/21/64/58/1385216458.db2.gz AELAAIYSMHWFAJ-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508037 1385216461 /nfs/dbraw/zinc/21/64/61/1385216461.db2.gz AELAAIYSMHWFAJ-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001318807235 1385858451 /nfs/dbraw/zinc/85/84/51/1385858451.db2.gz XCDFUQWUZBHQOO-MRXNPFEDSA-N 2 2 340.471 3.195 10 0 EGAELP CC/C=C\CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001698630907 1406274409 /nfs/dbraw/zinc/27/44/09/1406274409.db2.gz AEZHZXMEYNCNSD-ARJAWSKDSA-N 2 2 340.471 3.323 10 0 EGAELP CCCC[NH2+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001698632470 1406275905 /nfs/dbraw/zinc/27/59/05/1406275905.db2.gz LSZAANYEGSZWJS-UHFFFAOYSA-N 2 2 340.471 3.305 10 0 EGAELP 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/nfs/dbraw/zinc/00/65/37/1387006537.db2.gz SCVIBTDZVYSHGX-YJBOKZPZSA-N 2 2 342.487 3.172 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001329761915 1389221263 /nfs/dbraw/zinc/22/12/63/1389221263.db2.gz RRTHFDFWCZSKHL-FAFZWHIHSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC1CCC2(CC2)CC1 ZINC001331576746 1389810606 /nfs/dbraw/zinc/81/06/06/1389810606.db2.gz UUTFSBGRHMWTFW-IAGOWNOFSA-N 2 2 346.519 3.241 10 0 EGAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001333083215 1390246524 /nfs/dbraw/zinc/24/65/24/1390246524.db2.gz WCMJFUGFIHUNQZ-OPQOLIRYSA-N 2 2 344.503 3.063 10 0 EGAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001333083215 1390246527 /nfs/dbraw/zinc/24/65/27/1390246527.db2.gz WCMJFUGFIHUNQZ-OPQOLIRYSA-N 2 2 344.503 3.063 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccnc(Cl)c1 ZINC001341290129 1390466384 /nfs/dbraw/zinc/46/63/84/1390466384.db2.gz KEKWYACIYFPQJN-NSCUHMNNSA-N 2 2 339.786 3.276 10 0 EGAELP CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001479447659 1392246572 /nfs/dbraw/zinc/24/65/72/1392246572.db2.gz RUAASSHYJSGMRC-FUHWJXTLSA-N 2 2 342.487 3.321 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001479693996 1392324967 /nfs/dbraw/zinc/32/49/67/1392324967.db2.gz JMGICCUDIRAERW-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480257936 1392641889 /nfs/dbraw/zinc/64/18/89/1392641889.db2.gz OHLMLFPPQCQSDO-HNNXBMFYSA-N 2 2 328.460 3.195 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480257936 1392641890 /nfs/dbraw/zinc/64/18/90/1392641890.db2.gz OHLMLFPPQCQSDO-HNNXBMFYSA-N 2 2 328.460 3.195 10 0 EGAELP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001480362410 1392706738 /nfs/dbraw/zinc/70/67/38/1392706738.db2.gz HYJJIGYNQDOEGO-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP 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ZINC001698917427 1406652002 /nfs/dbraw/zinc/65/20/02/1406652002.db2.gz OFENFPPBQBLRMV-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001698917427 1406652004 /nfs/dbraw/zinc/65/20/04/1406652004.db2.gz OFENFPPBQBLRMV-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001698930748 1406667363 /nfs/dbraw/zinc/66/73/63/1406667363.db2.gz DDPSWOASCUHNJO-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@H](C[NH2+]CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001491163112 1394455269 /nfs/dbraw/zinc/45/52/69/1394455269.db2.gz DMOITYLLBFAZER-WMLDXEAASA-N 2 2 335.467 3.197 10 0 EGAELP C[C@@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944469 1394610027 /nfs/dbraw/zinc/61/00/27/1394610027.db2.gz QYOVFSCMUZESGQ-FQEVSTJZSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001481963070 1394624813 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ZINC001732882571 1429026928 /nfs/dbraw/zinc/02/69/28/1429026928.db2.gz XXFAVYNIQHPVAE-SREVYHEPSA-N 2 2 329.488 3.463 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001707432537 1417337150 /nfs/dbraw/zinc/33/71/50/1417337150.db2.gz LCVMVHQDUJOKPO-FUHWJXTLSA-N 2 2 334.508 3.138 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001707432537 1417337153 /nfs/dbraw/zinc/33/71/53/1417337153.db2.gz LCVMVHQDUJOKPO-FUHWJXTLSA-N 2 2 334.508 3.138 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001707435291 1417339580 /nfs/dbraw/zinc/33/95/80/1417339580.db2.gz FSIWHSQIFAYKGZ-ZWKOTPCHSA-N 2 2 348.535 3.148 10 0 EGAELP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733046856 1429180776 /nfs/dbraw/zinc/18/07/76/1429180776.db2.gz MBIVGTMMHHPVPR-MRXNPFEDSA-N 2 2 340.471 3.113 10 0 EGAELP C[C@H](C[N@@H+](C)CC1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733046856 1429180778 /nfs/dbraw/zinc/18/07/78/1429180778.db2.gz MBIVGTMMHHPVPR-MRXNPFEDSA-N 2 2 340.471 3.113 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001712951053 1417509387 /nfs/dbraw/zinc/50/93/87/1417509387.db2.gz ALVVDCMVHYDEPJ-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001712951053 1417509390 /nfs/dbraw/zinc/50/93/90/1417509390.db2.gz ALVVDCMVHYDEPJ-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001712951053 1417509392 /nfs/dbraw/zinc/50/93/92/1417509392.db2.gz ALVVDCMVHYDEPJ-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001712951053 1417509395 /nfs/dbraw/zinc/50/93/95/1417509395.db2.gz ALVVDCMVHYDEPJ-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182767 1417757951 /nfs/dbraw/zinc/75/79/51/1417757951.db2.gz PTXMVNAIUOUTFY-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182767 1417757954 /nfs/dbraw/zinc/75/79/54/1417757954.db2.gz PTXMVNAIUOUTFY-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP O=C(N[C@H]1CCC[C@H]([NH2+]CCCCCF)C1)c1cccc2[nH+]ccn21 ZINC001713377264 1417987037 /nfs/dbraw/zinc/98/70/37/1417987037.db2.gz OWNHXGHNOCFBBW-HOTGVXAUSA-N 2 2 346.450 3.105 10 0 EGAELP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001713394017 1418008581 /nfs/dbraw/zinc/00/85/81/1418008581.db2.gz PXAUCJUDEKPKCQ-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001713394017 1418008582 /nfs/dbraw/zinc/00/85/82/1418008582.db2.gz PXAUCJUDEKPKCQ-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714039228 1418828556 /nfs/dbraw/zinc/82/85/56/1418828556.db2.gz AOXHEBVXFWAICJ-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714039228 1418828557 /nfs/dbraw/zinc/82/85/57/1418828557.db2.gz AOXHEBVXFWAICJ-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714039228 1418828558 /nfs/dbraw/zinc/82/85/58/1418828558.db2.gz AOXHEBVXFWAICJ-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714039228 1418828562 /nfs/dbraw/zinc/82/85/62/1418828562.db2.gz AOXHEBVXFWAICJ-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001714118190 1418922364 /nfs/dbraw/zinc/92/23/64/1418922364.db2.gz MNOHKDCQTLSIFH-GOSISDBHSA-N 2 2 346.519 3.202 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001714118190 1418922370 /nfs/dbraw/zinc/92/23/70/1418922370.db2.gz MNOHKDCQTLSIFH-GOSISDBHSA-N 2 2 346.519 3.202 10 0 EGAELP CC(C)C[C@H](C(=O)NC1(C[NH2+]CC2CCC2)CCCC1)n1cc[nH+]c1 ZINC001714135976 1418939482 /nfs/dbraw/zinc/93/94/82/1418939482.db2.gz IQRCFBUEANJYEC-GOSISDBHSA-N 2 2 346.519 3.289 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153665 1418962156 /nfs/dbraw/zinc/96/21/56/1418962156.db2.gz KQNRNEJPFMFKTM-IRXDYDNUSA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153665 1418962157 /nfs/dbraw/zinc/96/21/57/1418962157.db2.gz KQNRNEJPFMFKTM-IRXDYDNUSA-N 2 2 342.487 3.355 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714403541 1419145993 /nfs/dbraw/zinc/14/59/93/1419145993.db2.gz OHVUDJNXSZGKMQ-DFOOCIKTSA-N 2 2 346.519 3.300 10 0 EGAELP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001714493214 1419217017 /nfs/dbraw/zinc/21/70/17/1419217017.db2.gz LEEFATBQZKOYGE-HNNXBMFYSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001714493135 1419217308 /nfs/dbraw/zinc/21/73/08/1419217308.db2.gz IMEXAWKFTHKSEF-UHFFFAOYSA-N 2 2 340.471 3.241 10 0 EGAELP CCCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001714848853 1419560428 /nfs/dbraw/zinc/56/04/28/1419560428.db2.gz TUXADGFLZXWZHU-QGZVFWFLSA-N 2 2 336.439 3.195 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714855519 1419570929 /nfs/dbraw/zinc/57/09/29/1419570929.db2.gz KYLAMEMHEAWDCH-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714855519 1419570932 /nfs/dbraw/zinc/57/09/32/1419570932.db2.gz KYLAMEMHEAWDCH-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714855519 1419570934 /nfs/dbraw/zinc/57/09/34/1419570934.db2.gz KYLAMEMHEAWDCH-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714855519 1419570939 /nfs/dbraw/zinc/57/09/39/1419570939.db2.gz KYLAMEMHEAWDCH-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP C[N@H+](CCC1CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001714912976 1419660743 /nfs/dbraw/zinc/66/07/43/1419660743.db2.gz IYQWHEMHQDQCOL-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001714912976 1419660745 /nfs/dbraw/zinc/66/07/45/1419660745.db2.gz IYQWHEMHQDQCOL-UHFFFAOYSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)[N@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001714953253 1419693878 /nfs/dbraw/zinc/69/38/78/1419693878.db2.gz HTLRYXDMPOYXMV-INIZCTEOSA-N 2 2 339.483 3.041 10 0 EGAELP CC(C)[N@@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001714953253 1419693881 /nfs/dbraw/zinc/69/38/81/1419693881.db2.gz HTLRYXDMPOYXMV-INIZCTEOSA-N 2 2 339.483 3.041 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017560 1419747364 /nfs/dbraw/zinc/74/73/64/1419747364.db2.gz GRHXZTFUHIDYBD-RBUKOAKNSA-N 2 2 348.535 3.439 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017560 1419747365 /nfs/dbraw/zinc/74/73/65/1419747365.db2.gz GRHXZTFUHIDYBD-RBUKOAKNSA-N 2 2 348.535 3.439 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CCCC2CCCC2)C1 ZINC001715158947 1419900705 /nfs/dbraw/zinc/90/07/05/1419900705.db2.gz CTGZOCMYLHOYAI-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001715181995 1419916076 /nfs/dbraw/zinc/91/60/76/1419916076.db2.gz GUXCUZBAGDFCGA-BZSNNMDCSA-N 2 2 334.508 3.287 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCCC1CCCC1 ZINC001715236566 1419967562 /nfs/dbraw/zinc/96/75/62/1419967562.db2.gz BFFILMRJFSMPMI-HNNXBMFYSA-N 2 2 342.487 3.489 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001715409022 1420106095 /nfs/dbraw/zinc/10/60/95/1420106095.db2.gz DWVODJKGNNPANG-MAUKXSAKSA-N 2 2 329.488 3.413 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001715475336 1420154422 /nfs/dbraw/zinc/15/44/22/1420154422.db2.gz KRLZKCAWSMXIDM-KXBFYZLASA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001715933734 1420405781 /nfs/dbraw/zinc/40/57/81/1420405781.db2.gz PNJJUZKKHKNLPJ-AEFFLSMTSA-N 2 2 332.492 3.065 10 0 EGAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715985617 1420443858 /nfs/dbraw/zinc/44/38/58/1420443858.db2.gz JGZWFIBBRPKUHH-HKUYNNGSSA-N 2 2 342.487 3.073 10 0 EGAELP CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001716042411 1420504772 /nfs/dbraw/zinc/50/47/72/1420504772.db2.gz CGXMEWKMLKGHRQ-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001716042411 1420504774 /nfs/dbraw/zinc/50/47/74/1420504774.db2.gz CGXMEWKMLKGHRQ-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716149928 1420542605 /nfs/dbraw/zinc/54/26/05/1420542605.db2.gz BXMGWIWBCRUMJY-AWEZNQCLSA-N 2 2 330.476 3.487 10 0 EGAELP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716242569 1420579104 /nfs/dbraw/zinc/57/91/04/1420579104.db2.gz FDBKXWRKEPFWDT-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716514978 1420744828 /nfs/dbraw/zinc/74/48/28/1420744828.db2.gz QHSRYFKGJIPQNP-WBVHZDCISA-N 2 2 340.471 3.407 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716711745 1420864667 /nfs/dbraw/zinc/86/46/67/1420864667.db2.gz GXWIEUQJOOLEOM-QRQLOZEOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716711745 1420864671 /nfs/dbraw/zinc/86/46/71/1420864671.db2.gz GXWIEUQJOOLEOM-QRQLOZEOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716711745 1420864675 /nfs/dbraw/zinc/86/46/75/1420864675.db2.gz GXWIEUQJOOLEOM-QRQLOZEOSA-N 2 2 346.519 3.090 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716711745 1420864678 /nfs/dbraw/zinc/86/46/78/1420864678.db2.gz GXWIEUQJOOLEOM-QRQLOZEOSA-N 2 2 346.519 3.090 10 0 EGAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001716849216 1420978099 /nfs/dbraw/zinc/97/80/99/1420978099.db2.gz SUHDSBDHVZQHFO-PXNSSMCTSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001716849216 1420978101 /nfs/dbraw/zinc/97/81/01/1420978101.db2.gz SUHDSBDHVZQHFO-PXNSSMCTSA-N 2 2 346.519 3.385 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001717092052 1421105923 /nfs/dbraw/zinc/10/59/23/1421105923.db2.gz YOOZVNNENVSRSM-WMLDXEAASA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001717121897 1421124979 /nfs/dbraw/zinc/12/49/79/1421124979.db2.gz QRXJAWHYAIDZKJ-JCNLHEQBSA-N 2 2 342.487 3.487 10 0 EGAELP CCCC[NH+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001717129336 1421130621 /nfs/dbraw/zinc/13/06/21/1421130621.db2.gz GSAFTKBZDLYXTB-SFHVURJKSA-N 2 2 346.519 3.195 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312500 1421257380 /nfs/dbraw/zinc/25/73/80/1421257380.db2.gz VKTITMPYLLJWLL-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312500 1421257381 /nfs/dbraw/zinc/25/73/81/1421257381.db2.gz VKTITMPYLLJWLL-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001717685693 1421565759 /nfs/dbraw/zinc/56/57/59/1421565759.db2.gz PGWZSVSZUCVHHK-KGLIPLIRSA-N 2 2 348.878 3.241 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717838746 1421652197 /nfs/dbraw/zinc/65/21/97/1421652197.db2.gz XDKRGZHXMOBOSJ-SRXMEYSWSA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717838746 1421652198 /nfs/dbraw/zinc/65/21/98/1421652198.db2.gz XDKRGZHXMOBOSJ-SRXMEYSWSA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717838746 1421652199 /nfs/dbraw/zinc/65/21/99/1421652199.db2.gz XDKRGZHXMOBOSJ-SRXMEYSWSA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717838746 1421652200 /nfs/dbraw/zinc/65/22/00/1421652200.db2.gz XDKRGZHXMOBOSJ-SRXMEYSWSA-N 2 2 344.503 3.202 10 0 EGAELP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001733313581 1429497682 /nfs/dbraw/zinc/49/76/82/1429497682.db2.gz STIBRHUFZLQTIF-SJORKVTESA-N 2 2 340.471 3.046 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717949666 1421718103 /nfs/dbraw/zinc/71/81/03/1421718103.db2.gz GXKYDJRETKLXSL-QGZVFWFLSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717949666 1421718106 /nfs/dbraw/zinc/71/81/06/1421718106.db2.gz GXKYDJRETKLXSL-QGZVFWFLSA-N 2 2 348.535 3.051 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001717981423 1421753279 /nfs/dbraw/zinc/75/32/79/1421753279.db2.gz KWDXMMYULOZCPD-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C1CC([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001717994542 1421762948 /nfs/dbraw/zinc/76/29/48/1421762948.db2.gz JGRZABOAIYDMNF-ABHNRTSZSA-N 2 2 348.535 3.486 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733405656 1429602345 /nfs/dbraw/zinc/60/23/45/1429602345.db2.gz XQCMUYBIEBGEAL-HXUWFJFHSA-N 2 2 342.487 3.417 10 0 EGAELP CCCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733405656 1429602347 /nfs/dbraw/zinc/60/23/47/1429602347.db2.gz XQCMUYBIEBGEAL-HXUWFJFHSA-N 2 2 342.487 3.417 10 0 EGAELP CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001722940073 1424267264 /nfs/dbraw/zinc/26/72/64/1424267264.db2.gz OKJBGRJOCQRKRK-MSOLQXFVSA-N 2 2 342.487 3.321 10 0 EGAELP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)c1cccc2[nH+]ccn21 ZINC001722942073 1424269258 /nfs/dbraw/zinc/26/92/58/1424269258.db2.gz LQPBWAUPGAJQKL-SJORKVTESA-N 2 2 340.471 3.013 10 0 EGAELP CC(C)CCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001723308897 1424343296 /nfs/dbraw/zinc/34/32/96/1424343296.db2.gz WZRIRCNMZUHATF-SFHVURJKSA-N 2 2 328.460 3.097 10 0 EGAELP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CCCF ZINC001723370676 1424373731 /nfs/dbraw/zinc/37/37/31/1424373731.db2.gz JGNHMCBFUHYIDV-IRXDYDNUSA-N 2 2 335.467 3.197 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001724013147 1424626078 /nfs/dbraw/zinc/62/60/78/1424626078.db2.gz DCFIQEWYSJLXCW-UHFFFAOYSA-N 2 2 342.487 3.499 10 0 EGAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001724628378 1424983478 /nfs/dbraw/zinc/98/34/78/1424983478.db2.gz DHNKJHYPPNEERJ-ICFOKQHNSA-N 2 2 343.515 3.022 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724960088 1425348681 /nfs/dbraw/zinc/34/86/81/1425348681.db2.gz NHEIQNRYCXXORZ-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724960088 1425348685 /nfs/dbraw/zinc/34/86/85/1425348685.db2.gz NHEIQNRYCXXORZ-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCC1)n1cc[nH+]c1 ZINC001725043706 1425471830 /nfs/dbraw/zinc/47/18/30/1425471830.db2.gz AULZCDLGNNMVRW-HKUYNNGSSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCC1)n1cc[nH+]c1 ZINC001725043706 1425471832 /nfs/dbraw/zinc/47/18/32/1425471832.db2.gz AULZCDLGNNMVRW-HKUYNNGSSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@H](CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001725147874 1425630803 /nfs/dbraw/zinc/63/08/03/1425630803.db2.gz BBLKZJSNELWJHM-OAHLLOKOSA-N 2 2 348.516 3.170 10 0 EGAELP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001725346638 1425998973 /nfs/dbraw/zinc/99/89/73/1425998973.db2.gz GRMNGECIJUGTCB-BGYRXZFFSA-N 2 2 346.519 3.048 10 0 EGAELP CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001725346638 1425998976 /nfs/dbraw/zinc/99/89/76/1425998976.db2.gz GRMNGECIJUGTCB-BGYRXZFFSA-N 2 2 346.519 3.048 10 0 EGAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001725358373 1426008834 /nfs/dbraw/zinc/00/88/34/1426008834.db2.gz BYIUEFIPIQSEMP-SAABIXHNSA-N 2 2 340.471 3.161 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001725759859 1426439965 /nfs/dbraw/zinc/43/99/65/1426439965.db2.gz YJYRJFAUOFNJBG-QGZVFWFLSA-N 2 2 348.535 3.220 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001725759858 1426440139 /nfs/dbraw/zinc/44/01/39/1426440139.db2.gz YJYRJFAUOFNJBG-KRWDZBQOSA-N 2 2 348.535 3.220 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001725779571 1426463285 /nfs/dbraw/zinc/46/32/85/1426463285.db2.gz JDFKJTVPFVNIEF-ZLPCBKJTSA-N 2 2 348.535 3.188 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731291584 1427233927 /nfs/dbraw/zinc/23/39/27/1427233927.db2.gz ASRJAMINGSFPQZ-IAGOWNOFSA-N 2 2 340.471 3.273 10 0 EGAELP CC1(C)CC(C[NH2+][C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001731396163 1427352408 /nfs/dbraw/zinc/35/24/08/1427352408.db2.gz MIYFAZPBXCOREL-GOSISDBHSA-N 2 2 340.471 3.097 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001731521342 1427509957 /nfs/dbraw/zinc/50/99/57/1427509957.db2.gz HHHJOVRFAGCARG-KRWDZBQOSA-N 2 2 348.535 3.007 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731561023 1427596414 /nfs/dbraw/zinc/59/64/14/1427596414.db2.gz CTTCBVQXOHMPPQ-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001731561023 1427596420 /nfs/dbraw/zinc/59/64/20/1427596420.db2.gz CTTCBVQXOHMPPQ-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854762 1428086979 /nfs/dbraw/zinc/08/69/79/1428086979.db2.gz KHMPUDSPUIZJHP-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854762 1428086980 /nfs/dbraw/zinc/08/69/80/1428086980.db2.gz KHMPUDSPUIZJHP-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001733895424 1437712874 /nfs/dbraw/zinc/71/28/74/1437712874.db2.gz UPRWVSVUJZXVAL-QAPCUYQASA-N 2 2 342.487 3.416 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001733895424 1437712875 /nfs/dbraw/zinc/71/28/75/1437712875.db2.gz UPRWVSVUJZXVAL-QAPCUYQASA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001734103769 1437888800 /nfs/dbraw/zinc/88/88/00/1437888800.db2.gz MIFXRKLFEKJFMH-ROUUACIJSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001734103769 1437888803 /nfs/dbraw/zinc/88/88/03/1437888803.db2.gz MIFXRKLFEKJFMH-ROUUACIJSA-N 2 2 332.492 3.161 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CCCC1CCCC1 ZINC001734350257 1438068149 /nfs/dbraw/zinc/06/81/49/1438068149.db2.gz GGJMCXAEGRZHNM-HNNXBMFYSA-N 2 2 334.508 3.094 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001734440556 1438102776 /nfs/dbraw/zinc/10/27/76/1438102776.db2.gz DXIXUZYABMJVLR-KFONASLZSA-N 2 2 344.503 3.133 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001734440556 1438102778 /nfs/dbraw/zinc/10/27/78/1438102778.db2.gz DXIXUZYABMJVLR-KFONASLZSA-N 2 2 344.503 3.133 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001750936197 1440115045 /nfs/dbraw/zinc/11/50/45/1440115045.db2.gz WQMAFHOKYQBGHX-ZHHRLCKPSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001750936197 1440115046 /nfs/dbraw/zinc/11/50/46/1440115046.db2.gz WQMAFHOKYQBGHX-ZHHRLCKPSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001750936197 1440115047 /nfs/dbraw/zinc/11/50/47/1440115047.db2.gz WQMAFHOKYQBGHX-ZHHRLCKPSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001750936197 1440115049 /nfs/dbraw/zinc/11/50/49/1440115049.db2.gz WQMAFHOKYQBGHX-ZHHRLCKPSA-N 2 2 346.519 3.258 10 0 EGAELP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090256 168309933 /nfs/dbraw/zinc/30/99/33/168309933.db2.gz QSJYOPQBXZPOGW-NSHDSACASA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090256 168309936 /nfs/dbraw/zinc/30/99/36/168309936.db2.gz QSJYOPQBXZPOGW-NSHDSACASA-N 2 2 327.762 3.312 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000090417349 282167074 /nfs/dbraw/zinc/16/70/74/282167074.db2.gz DBTLTLVSUFRGAS-ZQIUZPCESA-N 2 2 330.501 3.408 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000090417349 282167076 /nfs/dbraw/zinc/16/70/76/282167076.db2.gz DBTLTLVSUFRGAS-ZQIUZPCESA-N 2 2 330.501 3.408 10 0 EGAELP C[N@H+](Cc1cc(F)ccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747092 213382384 /nfs/dbraw/zinc/38/23/84/213382384.db2.gz VLSOEAJFNFQECE-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP C[N@@H+](Cc1cc(F)ccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747092 213382386 /nfs/dbraw/zinc/38/23/86/213382386.db2.gz VLSOEAJFNFQECE-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C)cc1Br ZINC000216529086 241202181 /nfs/dbraw/zinc/20/21/81/241202181.db2.gz FXPOOZBGWCIRIH-SMDDNHRTSA-N 2 2 329.282 3.434 10 0 EGAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C)cc1Br ZINC000216529086 241202187 /nfs/dbraw/zinc/20/21/87/241202187.db2.gz FXPOOZBGWCIRIH-SMDDNHRTSA-N 2 2 329.282 3.434 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230306868 242257647 /nfs/dbraw/zinc/25/76/47/242257647.db2.gz ZEAQXKUBBMSYAZ-JTQLQIEISA-N 2 2 333.220 3.159 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230306868 242257658 /nfs/dbraw/zinc/25/76/58/242257658.db2.gz ZEAQXKUBBMSYAZ-JTQLQIEISA-N 2 2 333.220 3.159 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094728 217360777 /nfs/dbraw/zinc/36/07/77/217360777.db2.gz CDNACYNJBGNFLG-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094728 217360780 /nfs/dbraw/zinc/36/07/80/217360780.db2.gz CDNACYNJBGNFLG-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094728 217360783 /nfs/dbraw/zinc/36/07/83/217360783.db2.gz CDNACYNJBGNFLG-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000081094728 217360785 /nfs/dbraw/zinc/36/07/85/217360785.db2.gz CDNACYNJBGNFLG-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096201 217361469 /nfs/dbraw/zinc/36/14/69/217361469.db2.gz WPDKAJFLJCLWIJ-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096201 217361473 /nfs/dbraw/zinc/36/14/73/217361473.db2.gz WPDKAJFLJCLWIJ-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096201 217361477 /nfs/dbraw/zinc/36/14/77/217361477.db2.gz WPDKAJFLJCLWIJ-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096201 217361480 /nfs/dbraw/zinc/36/14/80/217361480.db2.gz WPDKAJFLJCLWIJ-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264224141 246206048 /nfs/dbraw/zinc/20/60/48/246206048.db2.gz VCTNECMLYZHCSU-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091959707 218094309 /nfs/dbraw/zinc/09/43/09/218094309.db2.gz BZJVBPSSQFAOIJ-GOEBONIOSA-N 2 2 333.505 3.269 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091959707 218094311 /nfs/dbraw/zinc/09/43/11/218094311.db2.gz BZJVBPSSQFAOIJ-GOEBONIOSA-N 2 2 333.505 3.269 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000091960319 218094458 /nfs/dbraw/zinc/09/44/58/218094458.db2.gz AJYFKGFAOGONCL-NVXWUHKLSA-N 2 2 329.444 3.374 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000091960319 218094461 /nfs/dbraw/zinc/09/44/61/218094461.db2.gz AJYFKGFAOGONCL-NVXWUHKLSA-N 2 2 329.444 3.374 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643954 218238974 /nfs/dbraw/zinc/23/89/74/218238974.db2.gz DZKOOQURSTVWKQ-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643954 218238976 /nfs/dbraw/zinc/23/89/76/218238976.db2.gz DZKOOQURSTVWKQ-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643954 218238979 /nfs/dbraw/zinc/23/89/79/218238979.db2.gz DZKOOQURSTVWKQ-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643954 218238981 /nfs/dbraw/zinc/23/89/81/218238981.db2.gz DZKOOQURSTVWKQ-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000095422032 218364117 /nfs/dbraw/zinc/36/41/17/218364117.db2.gz ZSFSZEALKGCHJF-UHFFFAOYSA-N 2 2 343.446 3.374 10 0 EGAELP CC(C)CCn1cccc1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328636851 258025298 /nfs/dbraw/zinc/02/52/98/258025298.db2.gz OHDRLAZIQJDFGG-APWZRJJASA-N 2 2 330.476 3.278 10 0 EGAELP C[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328634064 258026433 /nfs/dbraw/zinc/02/64/33/258026433.db2.gz MLXJOAWKCVLLKO-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328634064 258026434 /nfs/dbraw/zinc/02/64/34/258026434.db2.gz MLXJOAWKCVLLKO-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328634064 258026435 /nfs/dbraw/zinc/02/64/35/258026435.db2.gz MLXJOAWKCVLLKO-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328634064 258026436 /nfs/dbraw/zinc/02/64/36/258026436.db2.gz MLXJOAWKCVLLKO-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000342810024 141149746 /nfs/dbraw/zinc/14/97/46/141149746.db2.gz NNVUAFNJEYEVOS-UHFFFAOYSA-N 2 2 326.488 3.284 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000356819943 141348170 /nfs/dbraw/zinc/34/81/70/141348170.db2.gz FGZPHJBFOLULDM-WBVHZDCISA-N 2 2 342.487 3.066 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000356819943 141348171 /nfs/dbraw/zinc/34/81/71/141348171.db2.gz FGZPHJBFOLULDM-WBVHZDCISA-N 2 2 342.487 3.066 10 0 EGAELP Cc1nc(N2CC[NH+](C[C@@H](C)c3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000351592604 144284717 /nfs/dbraw/zinc/28/47/17/144284717.db2.gz KPNKEISAZGXUBV-CQSZACIVSA-N 2 2 330.863 3.364 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351768254 144303900 /nfs/dbraw/zinc/30/39/00/144303900.db2.gz WRJBWGPMYWGPDH-RDTXWAMCSA-N 2 2 329.444 3.419 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000361745916 144358834 /nfs/dbraw/zinc/35/88/34/144358834.db2.gz JSSDZJKLVGKJRQ-LJQANCHMSA-N 2 2 325.387 3.143 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120201090 152257858 /nfs/dbraw/zinc/25/78/58/152257858.db2.gz DHQKGLVJXVALFE-MRXNPFEDSA-N 2 2 338.436 3.253 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000358001842 286370429 /nfs/dbraw/zinc/37/04/29/286370429.db2.gz FHGWWTIIQYDREM-COPLHBTASA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000358001842 286370430 /nfs/dbraw/zinc/37/04/30/286370430.db2.gz FHGWWTIIQYDREM-COPLHBTASA-N 2 2 327.266 3.058 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000305771646 154117649 /nfs/dbraw/zinc/11/76/49/154117649.db2.gz RHKRXTKXMARGLB-YXYSEUPNSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000305771646 154117656 /nfs/dbraw/zinc/11/76/56/154117656.db2.gz RHKRXTKXMARGLB-YXYSEUPNSA-N 2 2 345.531 3.213 10 0 EGAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492088 154379441 /nfs/dbraw/zinc/37/94/41/154379441.db2.gz OPDFEAGAEZHYST-RDJZCZTQSA-N 2 2 333.476 3.131 10 0 EGAELP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492088 154379444 /nfs/dbraw/zinc/37/94/44/154379444.db2.gz OPDFEAGAEZHYST-RDJZCZTQSA-N 2 2 333.476 3.131 10 0 EGAELP Cc1[nH+]c2ccccc2c(NCc2cccnc2-n2cc[nH+]c2)c1C ZINC000378025343 157454180 /nfs/dbraw/zinc/45/41/80/157454180.db2.gz LRBVTXWAYWPTMA-UHFFFAOYSA-N 2 2 329.407 3.466 10 0 EGAELP C[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000248558902 163013416 /nfs/dbraw/zinc/01/34/16/163013416.db2.gz LYTMVXKNGDJNDN-VQIMIIECSA-N 2 2 330.451 3.037 10 0 EGAELP C[C@@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000248558902 163013419 /nfs/dbraw/zinc/01/34/19/163013419.db2.gz LYTMVXKNGDJNDN-VQIMIIECSA-N 2 2 330.451 3.037 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589985 163019284 /nfs/dbraw/zinc/01/92/84/163019284.db2.gz ZDBCAGRFPYTNSU-BBRMVZONSA-N 2 2 333.501 3.467 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589985 163019286 /nfs/dbraw/zinc/01/92/86/163019286.db2.gz ZDBCAGRFPYTNSU-BBRMVZONSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589985 163019289 /nfs/dbraw/zinc/01/92/89/163019289.db2.gz ZDBCAGRFPYTNSU-BBRMVZONSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589985 163019292 /nfs/dbraw/zinc/01/92/92/163019292.db2.gz ZDBCAGRFPYTNSU-BBRMVZONSA-N 2 2 333.501 3.467 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338576469 163278747 /nfs/dbraw/zinc/27/87/47/163278747.db2.gz YVBIHJRLWLDRIK-UHFFFAOYSA-N 2 2 340.471 3.065 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1C ZINC000354355867 166008374 /nfs/dbraw/zinc/00/83/74/166008374.db2.gz XUGGYYWFLYDYKL-RDJZCZTQSA-N 2 2 325.460 3.156 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1C ZINC000354355867 166008376 /nfs/dbraw/zinc/00/83/76/166008376.db2.gz XUGGYYWFLYDYKL-RDJZCZTQSA-N 2 2 325.460 3.156 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000338803985 163352994 /nfs/dbraw/zinc/35/29/94/163352994.db2.gz DXFQBMHGBXRKKO-QGZVFWFLSA-N 2 2 349.523 3.055 10 0 EGAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000344166480 164118153 /nfs/dbraw/zinc/11/81/53/164118153.db2.gz ZVXRVMKFYGYHAS-MRXNPFEDSA-N 2 2 334.460 3.154 10 0 EGAELP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000344166480 164118156 /nfs/dbraw/zinc/11/81/56/164118156.db2.gz ZVXRVMKFYGYHAS-MRXNPFEDSA-N 2 2 334.460 3.154 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090745 165229694 /nfs/dbraw/zinc/22/96/94/165229694.db2.gz BZPPQQSEYRBZDV-APWZRJJASA-N 2 2 338.442 3.003 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090745 165229697 /nfs/dbraw/zinc/22/96/97/165229697.db2.gz BZPPQQSEYRBZDV-APWZRJJASA-N 2 2 338.442 3.003 10 0 EGAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1Cl ZINC000355645396 166270362 /nfs/dbraw/zinc/27/03/62/166270362.db2.gz CNBOVHWHMLSVSQ-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000355653412 166273959 /nfs/dbraw/zinc/27/39/59/166273959.db2.gz KXSOHLWQHUNJMZ-UHFFFAOYSA-N 2 2 349.381 3.014 10 0 EGAELP COc1cc(C)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c(C)n1 ZINC000359004281 167034735 /nfs/dbraw/zinc/03/47/35/167034735.db2.gz RVNNPJPPNLXAOY-UHFFFAOYSA-N 2 2 338.455 3.316 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000368018049 168297598 /nfs/dbraw/zinc/29/75/98/168297598.db2.gz OVSLZZNPKUONNC-MRXNPFEDSA-N 2 2 330.863 3.240 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000122928368 222184491 /nfs/dbraw/zinc/18/44/91/222184491.db2.gz ASACDAYWTZMRHH-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000122928368 222184493 /nfs/dbraw/zinc/18/44/93/222184493.db2.gz ASACDAYWTZMRHH-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000123929085 222352675 /nfs/dbraw/zinc/35/26/75/222352675.db2.gz XRBUSNXWSUYIAL-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000123929085 222352678 /nfs/dbraw/zinc/35/26/78/222352678.db2.gz XRBUSNXWSUYIAL-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929085 222352683 /nfs/dbraw/zinc/35/26/83/222352683.db2.gz XRBUSNXWSUYIAL-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929085 222352687 /nfs/dbraw/zinc/35/26/87/222352687.db2.gz XRBUSNXWSUYIAL-CZUORRHYSA-N 2 2 348.878 3.347 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000273610885 267068658 /nfs/dbraw/zinc/06/86/58/267068658.db2.gz NSQWLYSNGCVLIA-CYBMUJFWSA-N 2 2 348.397 3.270 10 0 EGAELP Cc1csc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000275489755 267368786 /nfs/dbraw/zinc/36/87/86/267368786.db2.gz BMKCEOUZCYZYHK-AWEZNQCLSA-N 2 2 348.541 3.395 10 0 EGAELP Cc1csc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000275489755 267368789 /nfs/dbraw/zinc/36/87/89/267368789.db2.gz BMKCEOUZCYZYHK-AWEZNQCLSA-N 2 2 348.541 3.395 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852448 274354831 /nfs/dbraw/zinc/35/48/31/274354831.db2.gz QDUWMXZETSJXSZ-ZINXYGQCSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852448 274354833 /nfs/dbraw/zinc/35/48/33/274354833.db2.gz QDUWMXZETSJXSZ-ZINXYGQCSA-N 2 2 336.479 3.145 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000339362396 275374861 /nfs/dbraw/zinc/37/48/61/275374861.db2.gz QWGMMSDZPURKLB-UONOGXRCSA-N 2 2 346.272 3.108 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000287943116 276171137 /nfs/dbraw/zinc/17/11/37/276171137.db2.gz XOTNCHHDEQMYHQ-VQIMIIECSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287943116 276171139 /nfs/dbraw/zinc/17/11/39/276171139.db2.gz XOTNCHHDEQMYHQ-VQIMIIECSA-N 2 2 325.456 3.090 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353623882 276288660 /nfs/dbraw/zinc/28/86/60/276288660.db2.gz PLKPCESJJVDJTQ-XYPHTWIQSA-N 2 2 339.439 3.038 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353623882 276288661 /nfs/dbraw/zinc/28/86/61/276288661.db2.gz PLKPCESJJVDJTQ-XYPHTWIQSA-N 2 2 339.439 3.038 10 0 EGAELP C[C@H](c1c(F)cccc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068921 290213164 /nfs/dbraw/zinc/21/31/64/290213164.db2.gz KHVVFVITYPNVMF-CVEARBPZSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1c(F)cccc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068921 290213178 /nfs/dbraw/zinc/21/31/78/290213178.db2.gz KHVVFVITYPNVMF-CVEARBPZSA-N 2 2 337.458 3.128 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000353624367 295239466 /nfs/dbraw/zinc/23/94/66/295239466.db2.gz PSOOLVXCBIREQK-UMVBOHGHSA-N 2 2 329.444 3.066 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000353624367 295239467 /nfs/dbraw/zinc/23/94/67/295239467.db2.gz PSOOLVXCBIREQK-UMVBOHGHSA-N 2 2 329.444 3.066 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075262529 307398575 /nfs/dbraw/zinc/39/85/75/307398575.db2.gz WOUYNCNNHONGPJ-IRXDYDNUSA-N 2 2 340.471 3.314 10 0 EGAELP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414327520 309073154 /nfs/dbraw/zinc/07/31/54/309073154.db2.gz BIPVCIQOPHOBPX-APWZRJJASA-N 2 2 336.907 3.445 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000294877995 308266899 /nfs/dbraw/zinc/26/68/99/308266899.db2.gz XDIRKUWHOFEPCU-AWEZNQCLSA-N 2 2 338.224 3.452 10 0 EGAELP CCOc1cc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)ccc1OC(F)F ZINC000414671119 309094903 /nfs/dbraw/zinc/09/49/03/309094903.db2.gz FIICSSMTLRKLPA-CQSZACIVSA-N 2 2 330.419 3.492 10 0 EGAELP CCOc1cc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)ccc1OC(F)F ZINC000414671119 309094904 /nfs/dbraw/zinc/09/49/04/309094904.db2.gz FIICSSMTLRKLPA-CQSZACIVSA-N 2 2 330.419 3.492 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000414772210 309099978 /nfs/dbraw/zinc/09/99/78/309099978.db2.gz QQYHGHCLBGGRON-LPHOPBHVSA-N 2 2 325.456 3.199 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000414772210 309099979 /nfs/dbraw/zinc/09/99/79/309099979.db2.gz QQYHGHCLBGGRON-LPHOPBHVSA-N 2 2 325.456 3.199 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839291 309104878 /nfs/dbraw/zinc/10/48/78/309104878.db2.gz VXYZQUYPNFRHKR-MAUKXSAKSA-N 2 2 325.456 3.256 10 0 EGAELP [NH3+][C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000414837579 309104894 /nfs/dbraw/zinc/10/48/94/309104894.db2.gz UOINUOVYGJDBLD-UXHICEINSA-N 2 2 326.440 3.034 10 0 EGAELP O=c1[nH]c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2c3ccccc3oc21 ZINC000329757291 308787593 /nfs/dbraw/zinc/78/75/93/308787593.db2.gz MUCIZCSGXSLWIP-UHFFFAOYSA-N 2 2 349.394 3.184 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)ccc2[nH+]1 ZINC000415128943 309122357 /nfs/dbraw/zinc/12/23/57/309122357.db2.gz OXBDJHAOSNAAST-QGZVFWFLSA-N 2 2 337.427 3.244 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000415941481 309150321 /nfs/dbraw/zinc/15/03/21/309150321.db2.gz GFBTVJHXHITFJM-MRXNPFEDSA-N 2 2 327.432 3.278 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417362082 309203026 /nfs/dbraw/zinc/20/30/26/309203026.db2.gz ZSVIWSCNNROBTE-LLVKDONJSA-N 2 2 329.257 3.203 10 0 EGAELP Clc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000420384509 309285591 /nfs/dbraw/zinc/28/55/91/309285591.db2.gz TYSKSJFGLYLSSG-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000420384509 309285592 /nfs/dbraw/zinc/28/55/92/309285592.db2.gz TYSKSJFGLYLSSG-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP FC(F)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000420956668 309304034 /nfs/dbraw/zinc/30/40/34/309304034.db2.gz ZSEPDKRKAYYKJG-UHFFFAOYSA-N 2 2 338.442 3.386 10 0 EGAELP FC(F)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000420956668 309304035 /nfs/dbraw/zinc/30/40/35/309304035.db2.gz ZSEPDKRKAYYKJG-UHFFFAOYSA-N 2 2 338.442 3.386 10 0 EGAELP CCCC(C)(C)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422011873 309350949 /nfs/dbraw/zinc/35/09/49/309350949.db2.gz DAAQESYEFATEBE-UHFFFAOYSA-N 2 2 337.552 3.221 10 0 EGAELP CCCC(C)(C)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422011873 309350950 /nfs/dbraw/zinc/35/09/50/309350950.db2.gz DAAQESYEFATEBE-UHFFFAOYSA-N 2 2 337.552 3.221 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000422026576 309351683 /nfs/dbraw/zinc/35/16/83/309351683.db2.gz VAWCZRJEBGUMCG-QGZVFWFLSA-N 2 2 337.552 3.077 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000422026576 309351684 /nfs/dbraw/zinc/35/16/84/309351684.db2.gz VAWCZRJEBGUMCG-QGZVFWFLSA-N 2 2 337.552 3.077 10 0 EGAELP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422631642 309362937 /nfs/dbraw/zinc/36/29/37/309362937.db2.gz FTXNDIQEMZJUOY-UHFFFAOYSA-N 2 2 335.451 3.267 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422782889 309368130 /nfs/dbraw/zinc/36/81/30/309368130.db2.gz NPUORUFFEIQFQS-VNTMZGSJSA-N 2 2 344.499 3.426 10 0 EGAELP CCC(CC)(CCO)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422815163 309370006 /nfs/dbraw/zinc/37/00/06/309370006.db2.gz XCXBNGGNVCYDRY-MOPGFXCFSA-N 2 2 334.504 3.267 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(OC(F)F)c1 ZINC000422883926 309373960 /nfs/dbraw/zinc/37/39/60/309373960.db2.gz DHMNMOUIJOHCIO-IUODEOHRSA-N 2 2 328.403 3.164 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422983440 309379543 /nfs/dbraw/zinc/37/95/43/309379543.db2.gz ZMYSKYSPVQNKSP-SLFFLAALSA-N 2 2 334.504 3.265 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]1 ZINC000423105791 309386205 /nfs/dbraw/zinc/38/62/05/309386205.db2.gz CKZXTPYXYAWSIT-LERXQTSPSA-N 2 2 325.250 3.003 10 0 EGAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)ccc1F ZINC000423230429 309391394 /nfs/dbraw/zinc/39/13/94/309391394.db2.gz JGTVMEBPXMFDBV-QGZVFWFLSA-N 2 2 332.398 3.333 10 0 EGAELP CCOc1ccccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233119 309391643 /nfs/dbraw/zinc/39/16/43/309391643.db2.gz NZTJASMWXRIPFG-HNNXBMFYSA-N 2 2 326.444 3.063 10 0 EGAELP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281244 309393854 /nfs/dbraw/zinc/39/38/54/309393854.db2.gz BAPJCBGPTVKNPV-CTNGQTDRSA-N 3 2 343.515 3.144 10 0 EGAELP COc1cccc([C@@H](C)[NH+]2CCN(Cc3c[nH+]cn3C(C)C)CC2)c1 ZINC000425326922 309473561 /nfs/dbraw/zinc/47/35/61/309473561.db2.gz OWORKQSPCPBMIY-QGZVFWFLSA-N 2 2 342.487 3.351 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000449217709 310045365 /nfs/dbraw/zinc/04/53/65/310045365.db2.gz BCTCOKPDFXHXDU-AWEZNQCLSA-N 2 2 327.241 3.261 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395959 310058693 /nfs/dbraw/zinc/05/86/93/310058693.db2.gz KJVJFTOCXUBIBZ-YOEHRIQHSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395959 310058694 /nfs/dbraw/zinc/05/86/94/310058694.db2.gz KJVJFTOCXUBIBZ-YOEHRIQHSA-N 2 2 344.421 3.073 10 0 EGAELP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453051858 310254511 /nfs/dbraw/zinc/25/45/11/310254511.db2.gz BQNVAHXEXHXCFW-MJGOQNOKSA-N 2 2 334.504 3.243 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccccc12 ZINC000453253672 310266970 /nfs/dbraw/zinc/26/69/70/310266970.db2.gz CWHRLECPAVFSRV-IRXDYDNUSA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccccc12 ZINC000453253672 310266971 /nfs/dbraw/zinc/26/69/71/310266971.db2.gz CWHRLECPAVFSRV-IRXDYDNUSA-N 2 2 342.483 3.346 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255247 310267030 /nfs/dbraw/zinc/26/70/30/310267030.db2.gz FJHLIUWUNAHKJE-SFTDATJTSA-N 2 2 342.458 3.352 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255247 310267031 /nfs/dbraw/zinc/26/70/31/310267031.db2.gz FJHLIUWUNAHKJE-SFTDATJTSA-N 2 2 342.458 3.352 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453346238 310272207 /nfs/dbraw/zinc/27/22/07/310272207.db2.gz BAVDSUHBZZHNCE-FUHWJXTLSA-N 2 2 325.456 3.090 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453346238 310272208 /nfs/dbraw/zinc/27/22/08/310272208.db2.gz BAVDSUHBZZHNCE-FUHWJXTLSA-N 2 2 325.456 3.090 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000459405851 310550438 /nfs/dbraw/zinc/55/04/38/310550438.db2.gz FJTBKQCXXFUNPQ-MRXNPFEDSA-N 2 2 335.455 3.045 10 0 EGAELP CC(C)C1CC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000488487629 311068139 /nfs/dbraw/zinc/06/81/39/311068139.db2.gz PKDDSAZESHUFJA-UHFFFAOYSA-N 2 2 342.487 3.284 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059349 311162757 /nfs/dbraw/zinc/16/27/57/311162757.db2.gz SNEUYKAXACEQLB-MSOLQXFVSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059349 311162758 /nfs/dbraw/zinc/16/27/58/311162758.db2.gz SNEUYKAXACEQLB-MSOLQXFVSA-N 2 2 337.552 3.268 10 0 EGAELP CCCc1nc(C)c(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000492113457 311217685 /nfs/dbraw/zinc/21/76/85/311217685.db2.gz ZBUDJUGRDLYGSP-UHFFFAOYSA-N 2 2 325.416 3.114 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516616 311260202 /nfs/dbraw/zinc/26/02/02/311260202.db2.gz VRZCGMOGLWRPDF-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516616 311260203 /nfs/dbraw/zinc/26/02/03/311260203.db2.gz VRZCGMOGLWRPDF-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000508254945 312091663 /nfs/dbraw/zinc/09/16/63/312091663.db2.gz ANVIFFMVLZFJHU-LJQANCHMSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000508254945 312091665 /nfs/dbraw/zinc/09/16/65/312091665.db2.gz ANVIFFMVLZFJHU-LJQANCHMSA-N 2 2 335.923 3.250 10 0 EGAELP CCC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264366 314235382 /nfs/dbraw/zinc/23/53/82/314235382.db2.gz UGYGASXSPZLCHH-VQTJNVASSA-N 2 2 344.547 3.352 10 0 EGAELP CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264366 314235385 /nfs/dbraw/zinc/23/53/85/314235385.db2.gz UGYGASXSPZLCHH-VQTJNVASSA-N 2 2 344.547 3.352 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000552035254 315191133 /nfs/dbraw/zinc/19/11/33/315191133.db2.gz QIRVXRWZVQSMNT-BZSNNMDCSA-N 2 2 344.503 3.185 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000552046659 315192876 /nfs/dbraw/zinc/19/28/76/315192876.db2.gz NPLUJWODINLAME-RNQOJCNYSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000552046659 315192880 /nfs/dbraw/zinc/19/28/80/315192880.db2.gz NPLUJWODINLAME-RNQOJCNYSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000552046659 315192883 /nfs/dbraw/zinc/19/28/83/315192883.db2.gz NPLUJWODINLAME-RNQOJCNYSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000552046659 315192885 /nfs/dbraw/zinc/19/28/85/315192885.db2.gz NPLUJWODINLAME-RNQOJCNYSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046657 315193122 /nfs/dbraw/zinc/19/31/22/315193122.db2.gz NPLUJWODINLAME-LEAZDLGRSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046657 315193124 /nfs/dbraw/zinc/19/31/24/315193124.db2.gz NPLUJWODINLAME-LEAZDLGRSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046657 315193127 /nfs/dbraw/zinc/19/31/27/315193127.db2.gz NPLUJWODINLAME-LEAZDLGRSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046657 315193129 /nfs/dbraw/zinc/19/31/29/315193129.db2.gz NPLUJWODINLAME-LEAZDLGRSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000552046656 315193391 /nfs/dbraw/zinc/19/33/91/315193391.db2.gz NPLUJWODINLAME-FRYIKTPZSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000552046656 315193392 /nfs/dbraw/zinc/19/33/92/315193392.db2.gz NPLUJWODINLAME-FRYIKTPZSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000552046656 315193393 /nfs/dbraw/zinc/19/33/93/315193393.db2.gz NPLUJWODINLAME-FRYIKTPZSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000552046656 315193394 /nfs/dbraw/zinc/19/33/94/315193394.db2.gz NPLUJWODINLAME-FRYIKTPZSA-N 3 2 347.572 3.423 10 0 EGAELP Cc1nocc1C[NH2+][C@@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000565637856 316349728 /nfs/dbraw/zinc/34/97/28/316349728.db2.gz COGBBWCEPBWBBZ-CQSZACIVSA-N 2 2 344.365 3.229 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571532091 317213303 /nfs/dbraw/zinc/21/33/03/317213303.db2.gz BLALENXSAGCXDG-MRXNPFEDSA-N 2 2 338.411 3.232 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000571932028 317267414 /nfs/dbraw/zinc/26/74/14/317267414.db2.gz STOWFFBTCXGRKR-HUUCEWRRSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000571932028 317267419 /nfs/dbraw/zinc/26/74/19/317267419.db2.gz STOWFFBTCXGRKR-HUUCEWRRSA-N 2 2 346.272 3.177 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000389282298 324279025 /nfs/dbraw/zinc/27/90/25/324279025.db2.gz UXBNPBBXUZPNPT-SMDDNHRTSA-N 2 2 344.240 3.036 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000389282298 324279027 /nfs/dbraw/zinc/27/90/27/324279027.db2.gz UXBNPBBXUZPNPT-SMDDNHRTSA-N 2 2 344.240 3.036 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000582127302 325416443 /nfs/dbraw/zinc/41/64/43/325416443.db2.gz PMCMJLYGVISWDS-BOMAWHNGSA-N 2 2 336.520 3.208 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343608588 456739857 /nfs/dbraw/zinc/73/98/57/456739857.db2.gz ZMGJOTQPSVARQV-UHFFFAOYSA-N 2 2 341.293 3.375 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673672 455224715 /nfs/dbraw/zinc/22/47/15/455224715.db2.gz UEBGKVUNPFZNDF-LSDHHAIUSA-N 2 2 328.460 3.216 10 0 EGAELP CCCc1noc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183148415 455239449 /nfs/dbraw/zinc/23/94/49/455239449.db2.gz CUMQLGPYJCZMBC-ZDUSSCGKSA-N 2 2 325.416 3.367 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000183154758 455240341 /nfs/dbraw/zinc/24/03/41/455240341.db2.gz CALHAWWEDLLWNB-CQSZACIVSA-N 2 2 332.411 3.074 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894244 455250141 /nfs/dbraw/zinc/25/01/41/455250141.db2.gz RRXCAESASDTEQU-HOTGVXAUSA-N 2 2 328.460 3.074 10 0 EGAELP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1OC1CC1 ZINC000623442088 460551760 /nfs/dbraw/zinc/55/17/60/460551760.db2.gz ZYHNDUKYVJBADC-UHFFFAOYSA-N 2 2 327.428 3.223 10 0 EGAELP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ncc1Br ZINC000623511209 460588736 /nfs/dbraw/zinc/58/87/36/460588736.db2.gz DKTJHWJEKABTJI-UHFFFAOYSA-N 2 2 338.293 3.259 10 0 EGAELP CCCCC[C@@H](CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181523115 455349254 /nfs/dbraw/zinc/34/92/54/455349254.db2.gz GYJBDAYSPUSAJL-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCC[C@@H](CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181523115 455349259 /nfs/dbraw/zinc/34/92/59/455349259.db2.gz GYJBDAYSPUSAJL-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511867 460590350 /nfs/dbraw/zinc/59/03/50/460590350.db2.gz JPMGDYNBYFPVTG-OCCSQVGLSA-N 2 2 346.393 3.081 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511867 460590355 /nfs/dbraw/zinc/59/03/55/460590355.db2.gz JPMGDYNBYFPVTG-OCCSQVGLSA-N 2 2 346.393 3.081 10 0 EGAELP CCC[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000245695088 455357573 /nfs/dbraw/zinc/35/75/73/455357573.db2.gz PPBDNNWNHCWMLW-HIFRSBDPSA-N 2 2 338.521 3.044 10 0 EGAELP CCC[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000245695088 455357577 /nfs/dbraw/zinc/35/75/77/455357577.db2.gz PPBDNNWNHCWMLW-HIFRSBDPSA-N 2 2 338.521 3.044 10 0 EGAELP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC1CC1 ZINC000623516731 460592012 /nfs/dbraw/zinc/59/20/12/460592012.db2.gz CDSPNVDEIBZZIX-UHFFFAOYSA-N 2 2 327.428 3.059 10 0 EGAELP CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612397836 460617905 /nfs/dbraw/zinc/61/79/05/460617905.db2.gz WTIKFXLKCDCOFP-OAHLLOKOSA-N 2 2 347.484 3.489 10 0 EGAELP CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612397836 460617914 /nfs/dbraw/zinc/61/79/14/460617914.db2.gz WTIKFXLKCDCOFP-OAHLLOKOSA-N 2 2 347.484 3.489 10 0 EGAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000075142006 453865763 /nfs/dbraw/zinc/86/57/63/453865763.db2.gz GCROFXRAKKYQAU-CQSZACIVSA-N 2 2 342.443 3.015 10 0 EGAELP Cn1nc(COc2cc[nH+]cc2)c2c1CC[N@H+](Cc1ccsc1)C2 ZINC000075874341 453934341 /nfs/dbraw/zinc/93/43/41/453934341.db2.gz MWDJRHIPVJUPIU-UHFFFAOYSA-N 2 2 340.452 3.014 10 0 EGAELP Cn1nc(COc2cc[nH+]cc2)c2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000075874341 453934343 /nfs/dbraw/zinc/93/43/43/453934343.db2.gz MWDJRHIPVJUPIU-UHFFFAOYSA-N 2 2 340.452 3.014 10 0 EGAELP c1cc2c(nc[nH+]c2N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)[nH]1 ZINC000077301908 454087903 /nfs/dbraw/zinc/08/79/03/454087903.db2.gz RPZIWOSSUQDYLZ-CYBMUJFWSA-N 2 2 332.411 3.293 10 0 EGAELP Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000057825390 454149406 /nfs/dbraw/zinc/14/94/06/454149406.db2.gz IEFMWIZZCDBMAW-LJQANCHMSA-N 2 2 347.466 3.432 10 0 EGAELP COc1ccc(OC)c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000058183050 454169199 /nfs/dbraw/zinc/16/91/99/454169199.db2.gz JHNKIXUXRCVJAQ-UHFFFAOYSA-N 2 2 325.412 3.152 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089725168 454183816 /nfs/dbraw/zinc/18/38/16/454183816.db2.gz UTJGZXPPCRDTOB-OAHLLOKOSA-N 2 2 337.471 3.496 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000120218426 454273138 /nfs/dbraw/zinc/27/31/38/454273138.db2.gz HKTWGCGQFKRCFZ-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000120218426 454273141 /nfs/dbraw/zinc/27/31/41/454273141.db2.gz HKTWGCGQFKRCFZ-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1nc3cc(Cl)ccc3n1C)C2 ZINC000091315036 454426687 /nfs/dbraw/zinc/42/66/87/454426687.db2.gz PXSPASCOFRLKJU-OCCSQVGLSA-N 2 2 343.862 3.397 10 0 EGAELP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091689537 454459320 /nfs/dbraw/zinc/45/93/20/454459320.db2.gz GMNIVEGBWSGYEV-MRXNPFEDSA-N 2 2 330.451 3.100 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)[nH]1 ZINC000092073925 454517618 /nfs/dbraw/zinc/51/76/18/454517618.db2.gz MGBRNJSWNHWRMN-CYBMUJFWSA-N 2 2 325.441 3.308 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)[nH]1 ZINC000092073925 454517619 /nfs/dbraw/zinc/51/76/19/454517619.db2.gz MGBRNJSWNHWRMN-CYBMUJFWSA-N 2 2 325.441 3.308 10 0 EGAELP Cc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000104080155 454574277 /nfs/dbraw/zinc/57/42/77/454574277.db2.gz RDFQIWPAYVJTNS-UHFFFAOYSA-N 2 2 326.440 3.162 10 0 EGAELP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000080488319 454589198 /nfs/dbraw/zinc/58/91/98/454589198.db2.gz OGUNJJNEVMDZIN-KRWDZBQOSA-N 2 2 344.503 3.066 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134909284 454608503 /nfs/dbraw/zinc/60/85/03/454608503.db2.gz GSENMKABIWREDE-BEFAXECRSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134909284 454608504 /nfs/dbraw/zinc/60/85/04/454608504.db2.gz GSENMKABIWREDE-BEFAXECRSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134909284 454608506 /nfs/dbraw/zinc/60/85/06/454608506.db2.gz GSENMKABIWREDE-BEFAXECRSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134909284 454608507 /nfs/dbraw/zinc/60/85/07/454608507.db2.gz GSENMKABIWREDE-BEFAXECRSA-N 2 2 330.472 3.153 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937445 454613159 /nfs/dbraw/zinc/61/31/59/454613159.db2.gz IMYRXHUYKIXWRK-DNVCBOLYSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937445 454613165 /nfs/dbraw/zinc/61/31/65/454613165.db2.gz IMYRXHUYKIXWRK-DNVCBOLYSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134937445 454613171 /nfs/dbraw/zinc/61/31/71/454613171.db2.gz IMYRXHUYKIXWRK-DNVCBOLYSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134937445 454613176 /nfs/dbraw/zinc/61/31/76/454613176.db2.gz IMYRXHUYKIXWRK-DNVCBOLYSA-N 2 2 346.446 3.061 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961115 454659376 /nfs/dbraw/zinc/65/93/76/454659376.db2.gz XLWOJKIEQZOAKI-INIZCTEOSA-N 2 2 326.444 3.351 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961115 454659380 /nfs/dbraw/zinc/65/93/80/454659380.db2.gz XLWOJKIEQZOAKI-INIZCTEOSA-N 2 2 326.444 3.351 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863562 454662082 /nfs/dbraw/zinc/66/20/82/454662082.db2.gz MSASJKNRMRQLBK-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863562 454662086 /nfs/dbraw/zinc/66/20/86/454662086.db2.gz MSASJKNRMRQLBK-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP Cc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)nc(C(C)C)[nH+]1 ZINC000092978368 454664587 /nfs/dbraw/zinc/66/45/87/454664587.db2.gz WGSFCYQZXOCERF-UHFFFAOYSA-N 2 2 328.464 3.334 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000105897816 454666274 /nfs/dbraw/zinc/66/62/74/454666274.db2.gz QRNITNLJQTZFGM-OAHLLOKOSA-N 2 2 331.464 3.254 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000105897816 454666281 /nfs/dbraw/zinc/66/62/81/454666281.db2.gz QRNITNLJQTZFGM-OAHLLOKOSA-N 2 2 331.464 3.254 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000108369111 454794852 /nfs/dbraw/zinc/79/48/52/454794852.db2.gz GCOIHYJYYXLWCG-FXAWDEMLSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000108369111 454794856 /nfs/dbraw/zinc/79/48/56/454794856.db2.gz GCOIHYJYYXLWCG-FXAWDEMLSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2cnccn12 ZINC000108369111 454794859 /nfs/dbraw/zinc/79/48/59/454794859.db2.gz GCOIHYJYYXLWCG-FXAWDEMLSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2cnccn12 ZINC000108369111 454794860 /nfs/dbraw/zinc/79/48/60/454794860.db2.gz GCOIHYJYYXLWCG-FXAWDEMLSA-N 2 2 349.482 3.072 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000163311184 454838120 /nfs/dbraw/zinc/83/81/20/454838120.db2.gz MDKPVDVTODARPE-CABCVRRESA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000163311184 454838124 /nfs/dbraw/zinc/83/81/24/454838124.db2.gz MDKPVDVTODARPE-CABCVRRESA-N 2 2 342.430 3.358 10 0 EGAELP CCCCC[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154433899 454896881 /nfs/dbraw/zinc/89/68/81/454896881.db2.gz GAXLDYHFOPQPAM-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCC[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154433899 454896883 /nfs/dbraw/zinc/89/68/83/454896883.db2.gz GAXLDYHFOPQPAM-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246430026 455489112 /nfs/dbraw/zinc/48/91/12/455489112.db2.gz MXVRMMZJABNPKU-UKRRQHHQSA-N 2 2 335.883 3.477 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246430026 455489114 /nfs/dbraw/zinc/48/91/14/455489114.db2.gz MXVRMMZJABNPKU-UKRRQHHQSA-N 2 2 335.883 3.477 10 0 EGAELP Cc1ccc2nc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cn2c1 ZINC000151116959 454939972 /nfs/dbraw/zinc/93/99/72/454939972.db2.gz AMDCZXMCVANCHM-KRWDZBQOSA-N 2 2 335.455 3.280 10 0 EGAELP Cc1ccc2nc(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cn2c1 ZINC000151116959 454939976 /nfs/dbraw/zinc/93/99/76/454939976.db2.gz AMDCZXMCVANCHM-KRWDZBQOSA-N 2 2 335.455 3.280 10 0 EGAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151482275 454991380 /nfs/dbraw/zinc/99/13/80/454991380.db2.gz GPQXBRYWVYAZST-CQSZACIVSA-N 2 2 335.411 3.077 10 0 EGAELP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179704646 455068933 /nfs/dbraw/zinc/06/89/33/455068933.db2.gz QBTMWTOVMNHBBR-INIZCTEOSA-N 2 2 337.423 3.146 10 0 EGAELP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179704646 455068936 /nfs/dbraw/zinc/06/89/36/455068936.db2.gz QBTMWTOVMNHBBR-INIZCTEOSA-N 2 2 337.423 3.146 10 0 EGAELP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179854781 455088977 /nfs/dbraw/zinc/08/89/77/455088977.db2.gz QLFPHJXSFJRPSL-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179854781 455088980 /nfs/dbraw/zinc/08/89/80/455088980.db2.gz QLFPHJXSFJRPSL-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP C[C@@H](C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000172014308 455109218 /nfs/dbraw/zinc/10/92/18/455109218.db2.gz NUIZDLOCJVJLAE-SFHVURJKSA-N 2 2 326.488 3.083 10 0 EGAELP C[C@@H](C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000172014308 455109222 /nfs/dbraw/zinc/10/92/22/455109222.db2.gz NUIZDLOCJVJLAE-SFHVURJKSA-N 2 2 326.488 3.083 10 0 EGAELP Cc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1-c1ccccc1 ZINC000180127052 455136515 /nfs/dbraw/zinc/13/65/15/455136515.db2.gz YBYKTDVBZBPHOM-LJQANCHMSA-N 2 2 335.455 3.350 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429406 455297168 /nfs/dbraw/zinc/29/71/68/455297168.db2.gz NCMLIWAIOZLXLG-KBXCAEBGSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429406 455297170 /nfs/dbraw/zinc/29/71/70/455297170.db2.gz NCMLIWAIOZLXLG-KBXCAEBGSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429406 455297171 /nfs/dbraw/zinc/29/71/71/455297171.db2.gz NCMLIWAIOZLXLG-KBXCAEBGSA-N 2 2 327.472 3.321 10 0 EGAELP CCCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000190466666 455324248 /nfs/dbraw/zinc/32/42/48/455324248.db2.gz IHGPQKUPSRVFQK-INIZCTEOSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000190466666 455324252 /nfs/dbraw/zinc/32/42/52/455324252.db2.gz IHGPQKUPSRVFQK-INIZCTEOSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cn1 ZINC000190466666 455324256 /nfs/dbraw/zinc/32/42/56/455324256.db2.gz IHGPQKUPSRVFQK-INIZCTEOSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000190466666 455324259 /nfs/dbraw/zinc/32/42/59/455324259.db2.gz IHGPQKUPSRVFQK-INIZCTEOSA-N 2 2 347.532 3.012 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000190485897 455329299 /nfs/dbraw/zinc/32/92/99/455329299.db2.gz GODFCWUBDDHAAR-SFHVURJKSA-N 2 2 327.447 3.217 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000190485897 455329300 /nfs/dbraw/zinc/32/93/00/455329300.db2.gz GODFCWUBDDHAAR-SFHVURJKSA-N 2 2 327.447 3.217 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000190485897 455329301 /nfs/dbraw/zinc/32/93/01/455329301.db2.gz GODFCWUBDDHAAR-SFHVURJKSA-N 2 2 327.447 3.217 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000190485897 455329307 /nfs/dbraw/zinc/32/93/07/455329307.db2.gz GODFCWUBDDHAAR-SFHVURJKSA-N 2 2 327.447 3.217 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000174283951 455376864 /nfs/dbraw/zinc/37/68/64/455376864.db2.gz NOHHUZFIGDVRBD-QWHCGFSZSA-N 2 2 347.413 3.116 10 0 EGAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245855490 455386477 /nfs/dbraw/zinc/38/64/77/455386477.db2.gz OEWFJYKEBFDQGK-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245855490 455386480 /nfs/dbraw/zinc/38/64/80/455386480.db2.gz OEWFJYKEBFDQGK-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200030 455446138 /nfs/dbraw/zinc/44/61/38/455446138.db2.gz UZDKTCBKNDHYRK-QFBILLFUSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200030 455446143 /nfs/dbraw/zinc/44/61/43/455446143.db2.gz UZDKTCBKNDHYRK-QFBILLFUSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200030 455446145 /nfs/dbraw/zinc/44/61/45/455446145.db2.gz UZDKTCBKNDHYRK-QFBILLFUSA-N 2 2 330.447 3.347 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246200030 455446152 /nfs/dbraw/zinc/44/61/52/455446152.db2.gz UZDKTCBKNDHYRK-QFBILLFUSA-N 2 2 330.447 3.347 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000184991697 455482558 /nfs/dbraw/zinc/48/25/58/455482558.db2.gz WDOSAHOQUZYVOF-GUYCJALGSA-N 2 2 349.837 3.342 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000184991697 455482560 /nfs/dbraw/zinc/48/25/60/455482560.db2.gz WDOSAHOQUZYVOF-GUYCJALGSA-N 2 2 349.837 3.342 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266975 455612838 /nfs/dbraw/zinc/61/28/38/455612838.db2.gz ZDXJBJPAKACJMJ-UTKZUKDTSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266975 455612843 /nfs/dbraw/zinc/61/28/43/455612843.db2.gz ZDXJBJPAKACJMJ-UTKZUKDTSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266975 455612847 /nfs/dbraw/zinc/61/28/47/455612847.db2.gz ZDXJBJPAKACJMJ-UTKZUKDTSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292266975 455612853 /nfs/dbraw/zinc/61/28/53/455612853.db2.gz ZDXJBJPAKACJMJ-UTKZUKDTSA-N 2 2 343.515 3.473 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266952 455613137 /nfs/dbraw/zinc/61/31/37/455613137.db2.gz ZDDFSUYSJPJRNM-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266952 455613140 /nfs/dbraw/zinc/61/31/40/455613140.db2.gz ZDDFSUYSJPJRNM-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266952 455613145 /nfs/dbraw/zinc/61/31/45/455613145.db2.gz ZDDFSUYSJPJRNM-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292266952 455613152 /nfs/dbraw/zinc/61/31/52/455613152.db2.gz ZDDFSUYSJPJRNM-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)ccc2[nH+]1 ZINC000606569997 460697987 /nfs/dbraw/zinc/69/79/87/460697987.db2.gz LYJIPEDBYUSOML-GASCZTMLSA-N 2 2 329.448 3.027 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)ccc2[nH+]1 ZINC000606569997 460697996 /nfs/dbraw/zinc/69/79/96/460697996.db2.gz LYJIPEDBYUSOML-GASCZTMLSA-N 2 2 329.448 3.027 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261561601 455908839 /nfs/dbraw/zinc/90/88/39/455908839.db2.gz FZTNYRNJAQEFJK-XLIONFOSSA-N 2 2 340.467 3.122 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195292770 455941477 /nfs/dbraw/zinc/94/14/77/455941477.db2.gz KSRZSKKYODMUNL-INIZCTEOSA-N 2 2 330.863 3.084 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195292770 455941482 /nfs/dbraw/zinc/94/14/82/455941482.db2.gz KSRZSKKYODMUNL-INIZCTEOSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000195292770 455941487 /nfs/dbraw/zinc/94/14/87/455941487.db2.gz KSRZSKKYODMUNL-INIZCTEOSA-N 2 2 330.863 3.084 10 0 EGAELP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261946367 455975457 /nfs/dbraw/zinc/97/54/57/455975457.db2.gz FHYQXWUQZHUBPO-SFHVURJKSA-N 2 2 332.879 3.075 10 0 EGAELP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261946367 455975461 /nfs/dbraw/zinc/97/54/61/455975461.db2.gz FHYQXWUQZHUBPO-SFHVURJKSA-N 2 2 332.879 3.075 10 0 EGAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)c2C1 ZINC000612712532 460707791 /nfs/dbraw/zinc/70/77/91/460707791.db2.gz RMQHFIZUJILHAK-CQSZACIVSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)c2C1 ZINC000612712532 460707799 /nfs/dbraw/zinc/70/77/99/460707799.db2.gz RMQHFIZUJILHAK-CQSZACIVSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)c2C1 ZINC000612712532 460707805 /nfs/dbraw/zinc/70/78/05/460707805.db2.gz RMQHFIZUJILHAK-CQSZACIVSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)c2C1 ZINC000612712532 460707811 /nfs/dbraw/zinc/70/78/11/460707811.db2.gz RMQHFIZUJILHAK-CQSZACIVSA-N 2 2 338.455 3.125 10 0 EGAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301299025 456084534 /nfs/dbraw/zinc/08/45/34/456084534.db2.gz UDJBYRQNKZDDQT-UHFFFAOYSA-N 2 2 332.879 3.326 10 0 EGAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301299025 456084539 /nfs/dbraw/zinc/08/45/39/456084539.db2.gz UDJBYRQNKZDDQT-UHFFFAOYSA-N 2 2 332.879 3.326 10 0 EGAELP Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c(C)c(C)[nH+]1 ZINC000301436407 456114819 /nfs/dbraw/zinc/11/48/19/456114819.db2.gz JXFPJTWPHSWNJD-CHWSQXEVSA-N 2 2 341.459 3.023 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161578 456149938 /nfs/dbraw/zinc/14/99/38/456149938.db2.gz AXQZPDTZIYBNAS-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161578 456149941 /nfs/dbraw/zinc/14/99/41/456149941.db2.gz AXQZPDTZIYBNAS-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161578 456149944 /nfs/dbraw/zinc/14/99/44/456149944.db2.gz AXQZPDTZIYBNAS-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161578 456149948 /nfs/dbraw/zinc/14/99/48/456149948.db2.gz AXQZPDTZIYBNAS-CZUORRHYSA-N 2 2 334.895 3.389 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)c[nH+]2)C[C@@H](C)O1 ZINC000301863586 456236324 /nfs/dbraw/zinc/23/63/24/456236324.db2.gz GPAPCJDWZAWKQO-ZIAGYGMSSA-N 2 2 337.427 3.184 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CCO1 ZINC000275641831 456278170 /nfs/dbraw/zinc/27/81/70/456278170.db2.gz SZMYXIYLLGARAI-DOMZBBRYSA-N 2 2 334.489 3.184 10 0 EGAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000290751157 456421259 /nfs/dbraw/zinc/42/12/59/456421259.db2.gz QTBOICVKJIPGLT-UHFFFAOYSA-N 2 2 349.438 3.252 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)ccc2[nH+]1 ZINC000276476304 456492918 /nfs/dbraw/zinc/49/29/18/456492918.db2.gz ZNOZGEWENBYOPD-IEBWSBKVSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000340593828 456555781 /nfs/dbraw/zinc/55/57/81/456555781.db2.gz HCJSXOBQNLFISK-UHFFFAOYSA-N 2 2 327.497 3.445 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCC(C)C ZINC000353235013 456576157 /nfs/dbraw/zinc/57/61/57/456576157.db2.gz APOHOVJXGZBKDV-OAHLLOKOSA-N 2 2 329.444 3.100 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OCC(C)C ZINC000353235013 456576160 /nfs/dbraw/zinc/57/61/60/456576160.db2.gz APOHOVJXGZBKDV-OAHLLOKOSA-N 2 2 329.444 3.100 10 0 EGAELP OC[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1c1ccccc1 ZINC000353254149 456588409 /nfs/dbraw/zinc/58/84/09/456588409.db2.gz VADPPYOOTWPXOH-OALUTQOASA-N 2 2 339.464 3.190 10 0 EGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1F ZINC000313250835 456596258 /nfs/dbraw/zinc/59/62/58/456596258.db2.gz DAIQPOVTFYCMGU-SNVBAGLBSA-N 2 2 326.213 3.215 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468196 456641338 /nfs/dbraw/zinc/64/13/38/456641338.db2.gz DTTWKNSWTZMUBC-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468196 456641342 /nfs/dbraw/zinc/64/13/42/456641342.db2.gz DTTWKNSWTZMUBC-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343608588 456739852 /nfs/dbraw/zinc/73/98/52/456739852.db2.gz ZMGJOTQPSVARQV-UHFFFAOYSA-N 2 2 341.293 3.375 10 0 EGAELP Cc1nc(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000353580084 456780045 /nfs/dbraw/zinc/78/00/45/456780045.db2.gz GVTDZDNDYOPDPK-UHFFFAOYSA-N 2 2 348.903 3.353 10 0 EGAELP c1nn2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645589 456797838 /nfs/dbraw/zinc/79/78/38/456797838.db2.gz OJDVKTBUYHLNFD-QFIPXVFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645589 456797843 /nfs/dbraw/zinc/79/78/43/456797843.db2.gz OJDVKTBUYHLNFD-QFIPXVFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348645589 456797854 /nfs/dbraw/zinc/79/78/54/456797854.db2.gz OJDVKTBUYHLNFD-QFIPXVFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348645589 456797863 /nfs/dbraw/zinc/79/78/63/456797863.db2.gz OJDVKTBUYHLNFD-QFIPXVFZSA-N 2 2 346.478 3.432 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072467 456847010 /nfs/dbraw/zinc/84/70/10/456847010.db2.gz DSURQKCHDCKZRL-CUWPLCDZSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072467 456847017 /nfs/dbraw/zinc/84/70/17/456847017.db2.gz DSURQKCHDCKZRL-CUWPLCDZSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072467 456847021 /nfs/dbraw/zinc/84/70/21/456847021.db2.gz DSURQKCHDCKZRL-CUWPLCDZSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292072467 456847027 /nfs/dbraw/zinc/84/70/27/456847027.db2.gz DSURQKCHDCKZRL-CUWPLCDZSA-N 2 2 343.515 3.060 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071846 456926817 /nfs/dbraw/zinc/92/68/17/456926817.db2.gz SOXJTRAWKUFPFI-TYPHKJRUSA-N 2 2 346.515 3.101 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071846 456926820 /nfs/dbraw/zinc/92/68/20/456926820.db2.gz SOXJTRAWKUFPFI-TYPHKJRUSA-N 2 2 346.515 3.101 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000346208182 457024224 /nfs/dbraw/zinc/02/42/24/457024224.db2.gz SQMGNLXAPLBHRH-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000346208182 457024231 /nfs/dbraw/zinc/02/42/31/457024231.db2.gz SQMGNLXAPLBHRH-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@H+](C)C(C)C ZINC000354178824 457113443 /nfs/dbraw/zinc/11/34/43/457113443.db2.gz YGMXBKYLAVXYCU-UHFFFAOYSA-N 2 2 344.503 3.225 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@@H+](C)C(C)C ZINC000354178824 457113450 /nfs/dbraw/zinc/11/34/50/457113450.db2.gz YGMXBKYLAVXYCU-UHFFFAOYSA-N 2 2 344.503 3.225 10 0 EGAELP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(CC)n3)CC2)s1 ZINC000342343086 457246929 /nfs/dbraw/zinc/24/69/29/457246929.db2.gz ALEYNRXXJZEQAG-UHFFFAOYSA-N 2 2 330.501 3.294 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342589144 457385065 /nfs/dbraw/zinc/38/50/65/457385065.db2.gz LTDKLZKHWMWMEB-HOTGVXAUSA-N 2 2 340.471 3.163 10 0 EGAELP c1ccc(C[NH+](CCC[NH2+]C2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000390602406 457440118 /nfs/dbraw/zinc/44/01/18/457440118.db2.gz YNCZIADZZIPTEI-UHFFFAOYSA-N 3 2 337.511 3.421 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000360976982 457484094 /nfs/dbraw/zinc/48/40/94/457484094.db2.gz ZRLXBDIJRIAHDM-IRFCIJBXSA-N 2 2 343.515 3.231 10 0 EGAELP Cc1ccccc1Cc1noc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000374211051 457523510 /nfs/dbraw/zinc/52/35/10/457523510.db2.gz XDCYXQSCTMQZMU-UHFFFAOYSA-N 2 2 337.427 3.072 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211438 457525760 /nfs/dbraw/zinc/52/57/60/457525760.db2.gz KPEDISTWLJWATP-GFCCVEGCSA-N 2 2 332.835 3.270 10 0 EGAELP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320160 457583231 /nfs/dbraw/zinc/58/32/31/457583231.db2.gz GCUIBDKWGPAFDC-HZPDHXFCSA-N 2 2 333.476 3.131 10 0 EGAELP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320160 457583232 /nfs/dbraw/zinc/58/32/32/457583232.db2.gz GCUIBDKWGPAFDC-HZPDHXFCSA-N 2 2 333.476 3.131 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425541192 457591059 /nfs/dbraw/zinc/59/10/59/457591059.db2.gz FZWUABMQRYZHFC-INIZCTEOSA-N 2 2 338.459 3.123 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425541192 457591062 /nfs/dbraw/zinc/59/10/62/457591062.db2.gz FZWUABMQRYZHFC-INIZCTEOSA-N 2 2 338.459 3.123 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000361286820 457679527 /nfs/dbraw/zinc/67/95/27/457679527.db2.gz HOXLHYKFZDJBKD-MRXNPFEDSA-N 2 2 325.460 3.390 10 0 EGAELP CCO[C@@H]1COCC[C@@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361381759 457712699 /nfs/dbraw/zinc/71/26/99/457712699.db2.gz QAXCABITINCSMQ-AZUAARDMSA-N 2 2 345.487 3.299 10 0 EGAELP COC(=O)[C@@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000361395742 457717271 /nfs/dbraw/zinc/71/72/71/457717271.db2.gz PWUPYCAVCLGHHQ-NVXWUHKLSA-N 2 2 343.471 3.398 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000361395742 457717273 /nfs/dbraw/zinc/71/72/73/457717273.db2.gz PWUPYCAVCLGHHQ-NVXWUHKLSA-N 2 2 343.471 3.398 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000358088888 457778698 /nfs/dbraw/zinc/77/86/98/457778698.db2.gz REJMGMJNNNSHJO-VQIMIIECSA-N 2 2 340.467 3.314 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000358088888 457778707 /nfs/dbraw/zinc/77/87/07/457778707.db2.gz REJMGMJNNNSHJO-VQIMIIECSA-N 2 2 340.467 3.314 10 0 EGAELP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC000361833530 457894201 /nfs/dbraw/zinc/89/42/01/457894201.db2.gz OMTJLEPFFQZDIT-UHFFFAOYSA-N 2 2 329.444 3.344 10 0 EGAELP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC000361833530 457894205 /nfs/dbraw/zinc/89/42/05/457894205.db2.gz OMTJLEPFFQZDIT-UHFFFAOYSA-N 2 2 329.444 3.344 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361863246 457915984 /nfs/dbraw/zinc/91/59/84/457915984.db2.gz UPDSQXJZFDGKEK-RBUKOAKNSA-N 2 2 325.456 3.429 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361863246 457915988 /nfs/dbraw/zinc/91/59/88/457915988.db2.gz UPDSQXJZFDGKEK-RBUKOAKNSA-N 2 2 325.456 3.429 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427897922 458047543 /nfs/dbraw/zinc/04/75/43/458047543.db2.gz ZHQFVEPZTXTUQW-JRGCBEDISA-N 2 2 327.516 3.113 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427897922 458047547 /nfs/dbraw/zinc/04/75/47/458047547.db2.gz ZHQFVEPZTXTUQW-JRGCBEDISA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932958 458130042 /nfs/dbraw/zinc/13/00/42/458130042.db2.gz PIHLPHZVSPCZPO-DLBZAZTESA-N 2 2 335.879 3.249 10 0 EGAELP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932958 458130047 /nfs/dbraw/zinc/13/00/47/458130047.db2.gz PIHLPHZVSPCZPO-DLBZAZTESA-N 2 2 335.879 3.249 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829252 458232915 /nfs/dbraw/zinc/23/29/15/458232915.db2.gz FRCCDMORJMLXSV-RVKKMQEKSA-N 2 2 330.451 3.491 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829252 458232919 /nfs/dbraw/zinc/23/29/19/458232919.db2.gz FRCCDMORJMLXSV-RVKKMQEKSA-N 2 2 330.451 3.491 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000447591948 458318219 /nfs/dbraw/zinc/31/82/19/458318219.db2.gz JKXZGKZGJUZITD-NMLBUPMWSA-N 2 2 328.500 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000447591948 458318221 /nfs/dbraw/zinc/31/82/21/458318221.db2.gz JKXZGKZGJUZITD-NMLBUPMWSA-N 2 2 328.500 3.300 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000430089069 458399106 /nfs/dbraw/zinc/39/91/06/458399106.db2.gz YLIZEYVBICCHJW-QGZVFWFLSA-N 2 2 340.471 3.068 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000430089069 458399112 /nfs/dbraw/zinc/39/91/12/458399112.db2.gz YLIZEYVBICCHJW-QGZVFWFLSA-N 2 2 340.471 3.068 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423561104 458457293 /nfs/dbraw/zinc/45/72/93/458457293.db2.gz PSZBEHLTNXYQDK-MAUKXSAKSA-N 2 2 332.492 3.353 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803670 458534110 /nfs/dbraw/zinc/53/41/10/458534110.db2.gz YVHJDSQHVJYHQZ-ONGXEEELSA-N 2 2 325.334 3.358 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803670 458534112 /nfs/dbraw/zinc/53/41/12/458534112.db2.gz YVHJDSQHVJYHQZ-ONGXEEELSA-N 2 2 325.334 3.358 10 0 EGAELP CSc1ccccc1NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378063681 458617493 /nfs/dbraw/zinc/61/74/93/458617493.db2.gz XCTHGCVINQEQTO-UHFFFAOYSA-N 2 2 344.484 3.340 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612350 458644177 /nfs/dbraw/zinc/64/41/77/458644177.db2.gz FRIJFSNVSVMVFO-HZPDHXFCSA-N 2 2 341.499 3.498 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000546612350 458644181 /nfs/dbraw/zinc/64/41/81/458644181.db2.gz FRIJFSNVSVMVFO-HZPDHXFCSA-N 2 2 341.499 3.498 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000440325483 458804091 /nfs/dbraw/zinc/80/40/91/458804091.db2.gz IMEVNZYOKOTKDE-UHFFFAOYSA-N 2 2 325.441 3.192 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683417 458961231 /nfs/dbraw/zinc/96/12/31/458961231.db2.gz JSTGRJGEFHGDBB-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683417 458961240 /nfs/dbraw/zinc/96/12/40/458961240.db2.gz JSTGRJGEFHGDBB-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683417 458961245 /nfs/dbraw/zinc/96/12/45/458961245.db2.gz JSTGRJGEFHGDBB-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683417 458961251 /nfs/dbraw/zinc/96/12/51/458961251.db2.gz JSTGRJGEFHGDBB-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339181 458970052 /nfs/dbraw/zinc/97/00/52/458970052.db2.gz RHWNWSUREUYHKP-WMLDXEAASA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339181 458970056 /nfs/dbraw/zinc/97/00/56/458970056.db2.gz RHWNWSUREUYHKP-WMLDXEAASA-N 2 2 344.421 3.337 10 0 EGAELP Cc1noc(C)c1CO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000577146457 458985608 /nfs/dbraw/zinc/98/56/08/458985608.db2.gz CKANXZFJYMJZCM-SFHVURJKSA-N 2 2 329.444 3.219 10 0 EGAELP Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000577146457 458985617 /nfs/dbraw/zinc/98/56/17/458985617.db2.gz CKANXZFJYMJZCM-SFHVURJKSA-N 2 2 329.444 3.219 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000556858283 459023584 /nfs/dbraw/zinc/02/35/84/459023584.db2.gz JTHPJSKRKPXWMB-HZPDHXFCSA-N 2 2 334.504 3.407 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000556858283 459023589 /nfs/dbraw/zinc/02/35/89/459023589.db2.gz JTHPJSKRKPXWMB-HZPDHXFCSA-N 2 2 334.504 3.407 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000594490621 459057173 /nfs/dbraw/zinc/05/71/73/459057173.db2.gz NXKHUMJZBGXCKJ-IBGZPJMESA-N 2 2 349.434 3.331 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476810 459094340 /nfs/dbraw/zinc/09/43/40/459094340.db2.gz PGCLWBXVLQCULL-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476810 459094344 /nfs/dbraw/zinc/09/43/44/459094344.db2.gz PGCLWBXVLQCULL-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161537 459185414 /nfs/dbraw/zinc/18/54/14/459185414.db2.gz RYAUGVPTRPJUNQ-PZJWPPBQSA-N 3 2 329.532 3.363 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161537 459185421 /nfs/dbraw/zinc/18/54/21/459185421.db2.gz RYAUGVPTRPJUNQ-PZJWPPBQSA-N 3 2 329.532 3.363 10 0 EGAELP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)CC(C)C ZINC000480432779 459197987 /nfs/dbraw/zinc/19/79/87/459197987.db2.gz NEOGZIVVQPWUHU-SFHVURJKSA-N 2 2 341.503 3.437 10 0 EGAELP C[C@H](CSCCF)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000595015825 459216870 /nfs/dbraw/zinc/21/68/70/459216870.db2.gz HNBWMDSAPXCHTO-CQSZACIVSA-N 2 2 328.472 3.471 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000595042237 459225982 /nfs/dbraw/zinc/22/59/82/459225982.db2.gz DCAMOTRMDICNAU-AWEZNQCLSA-N 2 2 331.460 3.143 10 0 EGAELP C[C@H](CSCCF)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000595044914 459227004 /nfs/dbraw/zinc/22/70/04/459227004.db2.gz ADNSFCYLVVUXLK-LMWSTFAQSA-N 2 2 342.446 3.473 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000560158885 459306671 /nfs/dbraw/zinc/30/66/71/459306671.db2.gz FPSRMACRRCAZFX-NJYVYQBISA-N 2 2 328.500 3.400 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000560158885 459306677 /nfs/dbraw/zinc/30/66/77/459306677.db2.gz FPSRMACRRCAZFX-NJYVYQBISA-N 2 2 328.500 3.400 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081923 459309477 /nfs/dbraw/zinc/30/94/77/459309477.db2.gz BPYFNYCRBVBHJW-QAPCUYQASA-N 2 2 326.444 3.110 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081923 459309483 /nfs/dbraw/zinc/30/94/83/459309483.db2.gz BPYFNYCRBVBHJW-QAPCUYQASA-N 2 2 326.444 3.110 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082534 459309946 /nfs/dbraw/zinc/30/99/46/459309946.db2.gz HWDIYGFVRFNOQP-CZUORRHYSA-N 2 2 332.835 3.201 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082534 459309952 /nfs/dbraw/zinc/30/99/52/459309952.db2.gz HWDIYGFVRFNOQP-CZUORRHYSA-N 2 2 332.835 3.201 10 0 EGAELP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000524156026 459347797 /nfs/dbraw/zinc/34/77/97/459347797.db2.gz APBXOXKCEHGEHT-UHFFFAOYSA-N 2 2 328.460 3.289 10 0 EGAELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000524156026 459347805 /nfs/dbraw/zinc/34/78/05/459347805.db2.gz APBXOXKCEHGEHT-UHFFFAOYSA-N 2 2 328.460 3.289 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000595611400 459366747 /nfs/dbraw/zinc/36/67/47/459366747.db2.gz CQLFXSXVOXGZMJ-GOSISDBHSA-N 2 2 341.455 3.214 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000595611400 459366751 /nfs/dbraw/zinc/36/67/51/459366751.db2.gz CQLFXSXVOXGZMJ-GOSISDBHSA-N 2 2 341.455 3.214 10 0 EGAELP COC(=O)C12CC(C1)C[N@@H+]2CCCCCn1c(C)[nH+]c2ccccc21 ZINC000595679699 459394717 /nfs/dbraw/zinc/39/47/17/459394717.db2.gz IBOPLVOWYWCZBV-UHFFFAOYSA-N 2 2 341.455 3.152 10 0 EGAELP COC(=O)C12CC(C1)C[N@H+]2CCCCCn1c(C)[nH+]c2ccccc21 ZINC000595679699 459394723 /nfs/dbraw/zinc/39/47/23/459394723.db2.gz IBOPLVOWYWCZBV-UHFFFAOYSA-N 2 2 341.455 3.152 10 0 EGAELP C[C@@H]1CCCC[C@H]1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165000 459422423 /nfs/dbraw/zinc/42/24/23/459422423.db2.gz RPTNJDYITZZNMQ-MOPGFXCFSA-N 2 2 349.563 3.269 10 0 EGAELP COc1ccccc1NC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000541205219 459433980 /nfs/dbraw/zinc/43/39/80/459433980.db2.gz TVFPFDGMSOFCBJ-UHFFFAOYSA-N 2 2 339.439 3.217 10 0 EGAELP Cc1cc(NC(=O)N(C)CCC[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000541762021 459488175 /nfs/dbraw/zinc/48/81/75/459488175.db2.gz LNXXBKFBGMSTHP-MRXNPFEDSA-N 2 2 347.507 3.184 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cn3cccnc3n2)c(C)c1 ZINC000569761114 459505461 /nfs/dbraw/zinc/50/54/61/459505461.db2.gz VUGFSVUPHGXLRN-LJQANCHMSA-N 2 2 346.438 3.074 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)o1 ZINC000542133044 459527787 /nfs/dbraw/zinc/52/77/87/459527787.db2.gz LYIKKSXQAGLABF-UHFFFAOYSA-N 2 2 345.443 3.264 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc2ccccc21 ZINC000569919613 459530352 /nfs/dbraw/zinc/53/03/52/459530352.db2.gz GJKKWTWMZYGUKP-IQGAEYHTSA-N 2 2 339.483 3.265 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H]1SC ZINC000592173463 459543747 /nfs/dbraw/zinc/54/37/47/459543747.db2.gz WZRNJPMUTHFDBF-KURKYZTESA-N 2 2 331.485 3.179 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543632460 459678671 /nfs/dbraw/zinc/67/86/71/459678671.db2.gz URQPSFTYUGPIMW-PXPVJAHISA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543632460 459678674 /nfs/dbraw/zinc/67/86/74/459678674.db2.gz URQPSFTYUGPIMW-PXPVJAHISA-N 2 2 349.469 3.080 10 0 EGAELP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)ccc2n1C1CC1 ZINC000573541568 459694057 /nfs/dbraw/zinc/69/40/57/459694057.db2.gz LEYLTWPCAKZTKB-QGZVFWFLSA-N 2 2 340.471 3.080 10 0 EGAELP Cn1c[nH+]cc1CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527806412 459743526 /nfs/dbraw/zinc/74/35/26/459743526.db2.gz DQBIUZRFGISBSS-HNNXBMFYSA-N 2 2 327.259 3.119 10 0 EGAELP c1cnc(Oc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC000527808107 459743911 /nfs/dbraw/zinc/74/39/11/459743911.db2.gz QEZBNOGXIRTRJS-GOSISDBHSA-N 2 2 338.455 3.375 10 0 EGAELP c1cnc(Oc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC000527808107 459743914 /nfs/dbraw/zinc/74/39/14/459743914.db2.gz QEZBNOGXIRTRJS-GOSISDBHSA-N 2 2 338.455 3.375 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810194 459745003 /nfs/dbraw/zinc/74/50/03/459745003.db2.gz VCCXGUIZHDQKRT-SLYNCCJLSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810194 459745009 /nfs/dbraw/zinc/74/50/09/459745009.db2.gz VCCXGUIZHDQKRT-SLYNCCJLSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527810194 459745010 /nfs/dbraw/zinc/74/50/10/459745010.db2.gz VCCXGUIZHDQKRT-SLYNCCJLSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527810194 459745014 /nfs/dbraw/zinc/74/50/14/459745014.db2.gz VCCXGUIZHDQKRT-SLYNCCJLSA-N 2 2 327.516 3.428 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849981 459758367 /nfs/dbraw/zinc/75/83/67/459758367.db2.gz JPLZXCRNNABCCR-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849981 459758371 /nfs/dbraw/zinc/75/83/71/459758371.db2.gz JPLZXCRNNABCCR-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946698 459778236 /nfs/dbraw/zinc/77/82/36/459778236.db2.gz ILPNRBGDYDTNFD-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946698 459778238 /nfs/dbraw/zinc/77/82/38/459778238.db2.gz ILPNRBGDYDTNFD-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1C ZINC000597087581 459834478 /nfs/dbraw/zinc/83/44/78/459834478.db2.gz IJUMOIJLMZIIJK-OIISXLGYSA-N 2 2 333.476 3.203 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1C ZINC000597087581 459834482 /nfs/dbraw/zinc/83/44/82/459834482.db2.gz IJUMOIJLMZIIJK-OIISXLGYSA-N 2 2 333.476 3.203 10 0 EGAELP C[NH+]1CCC([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593692268 459952807 /nfs/dbraw/zinc/95/28/07/459952807.db2.gz WYDHCBWUBQSNAU-ZWKOTPCHSA-N 2 2 330.472 3.241 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000593698333 459956081 /nfs/dbraw/zinc/95/60/81/459956081.db2.gz RHYHBVASGBMWFT-OAHLLOKOSA-N 2 2 335.473 3.486 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000593698333 459956089 /nfs/dbraw/zinc/95/60/89/459956089.db2.gz RHYHBVASGBMWFT-OAHLLOKOSA-N 2 2 335.473 3.486 10 0 EGAELP CCOC(=O)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCCC1 ZINC000594045975 460072672 /nfs/dbraw/zinc/07/26/72/460072672.db2.gz BJTKCBUUWRQXHM-SFHVURJKSA-N 2 2 335.492 3.463 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603882662 460353812 /nfs/dbraw/zinc/35/38/12/460353812.db2.gz ULBUDLCVSYWSGN-QGZVFWFLSA-N 2 2 334.423 3.185 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603882662 460353819 /nfs/dbraw/zinc/35/38/19/460353819.db2.gz ULBUDLCVSYWSGN-QGZVFWFLSA-N 2 2 334.423 3.185 10 0 EGAELP CC1CC[NH+](CCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000626074500 460362750 /nfs/dbraw/zinc/36/27/50/460362750.db2.gz BJCVNAXVDMSULZ-UHFFFAOYSA-N 2 2 340.515 3.017 10 0 EGAELP c1ccc(S[C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000631739432 460539828 /nfs/dbraw/zinc/53/98/28/460539828.db2.gz QEZQQXBCHCPDOR-LNLFQRSKSA-N 2 2 332.513 3.153 10 0 EGAELP Cn1ccnc1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435423 460547916 /nfs/dbraw/zinc/54/79/16/460547916.db2.gz DOSLMWMRBDIZGJ-QZTJIDSGSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435423 460547919 /nfs/dbraw/zinc/54/79/19/460547919.db2.gz DOSLMWMRBDIZGJ-QZTJIDSGSA-N 2 2 326.488 3.166 10 0 EGAELP C[NH+](C)C1(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CCCC1 ZINC000623850351 460742349 /nfs/dbraw/zinc/74/23/49/460742349.db2.gz DJKXTOGXICXNMV-UHFFFAOYSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1OC(F)F ZINC000629521012 460792478 /nfs/dbraw/zinc/79/24/78/460792478.db2.gz KMMHLRJCZVNFFZ-SNVBAGLBSA-N 2 2 334.794 3.100 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000629526493 460796290 /nfs/dbraw/zinc/79/62/90/460796290.db2.gz WJPZOLUHZMFQON-RRFJBIMHSA-N 2 2 339.277 3.393 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000629526351 460796384 /nfs/dbraw/zinc/79/63/84/460796384.db2.gz RAZDUTOIKKRZSZ-RRFJBIMHSA-N 2 2 339.277 3.393 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629673199 460860582 /nfs/dbraw/zinc/86/05/82/460860582.db2.gz YYRGZQYEFQLAJV-SCLBCKFNSA-N 2 2 332.879 3.042 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123989 460872911 /nfs/dbraw/zinc/87/29/11/460872911.db2.gz VGFPLJOJDGDPCW-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123989 460872915 /nfs/dbraw/zinc/87/29/15/460872915.db2.gz VGFPLJOJDGDPCW-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP Cc1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1C1CC1 ZINC000624189197 460902408 /nfs/dbraw/zinc/90/24/08/460902408.db2.gz RINPYYWXGQWIFU-UHFFFAOYSA-N 2 2 331.508 3.009 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)n(CCc2ccccc2)n1 ZINC000621331957 460993261 /nfs/dbraw/zinc/99/32/61/460993261.db2.gz VXXFPDSZANVWOD-UHFFFAOYSA-N 2 2 338.499 3.232 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633524727 461103286 /nfs/dbraw/zinc/10/32/86/461103286.db2.gz FZMJXCZDAVTPCT-CQSZACIVSA-N 2 2 337.427 3.103 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)[nH+]1 ZINC000659014515 461139583 /nfs/dbraw/zinc/13/95/83/461139583.db2.gz PXKOXZQHJMGAAL-QGZVFWFLSA-N 2 2 330.476 3.250 10 0 EGAELP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662257992 461146814 /nfs/dbraw/zinc/14/68/14/461146814.db2.gz RTRKKBUVIQEJKV-HZPDHXFCSA-N 2 2 328.378 3.221 10 0 EGAELP FC(F)(F)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662257992 461146825 /nfs/dbraw/zinc/14/68/25/461146825.db2.gz RTRKKBUVIQEJKV-HZPDHXFCSA-N 2 2 328.378 3.221 10 0 EGAELP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257121 461147211 /nfs/dbraw/zinc/14/72/11/461147211.db2.gz APBLHCHHASLBBZ-WCQYABFASA-N 2 2 341.282 3.434 10 0 EGAELP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257121 461147219 /nfs/dbraw/zinc/14/72/19/461147219.db2.gz APBLHCHHASLBBZ-WCQYABFASA-N 2 2 341.282 3.434 10 0 EGAELP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257120 461148271 /nfs/dbraw/zinc/14/82/71/461148271.db2.gz APBLHCHHASLBBZ-DGCLKSJQSA-N 2 2 341.282 3.434 10 0 EGAELP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257120 461148274 /nfs/dbraw/zinc/14/82/74/461148274.db2.gz APBLHCHHASLBBZ-DGCLKSJQSA-N 2 2 341.282 3.434 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(Br)cc3Cl)C[C@@H]21 ZINC000662267216 461151878 /nfs/dbraw/zinc/15/18/78/461151878.db2.gz SWFDCMXSKISFSO-XHVZSJERSA-N 2 2 344.684 3.057 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(Br)cc3Cl)C[C@@H]21 ZINC000662267216 461151888 /nfs/dbraw/zinc/15/18/88/461151888.db2.gz SWFDCMXSKISFSO-XHVZSJERSA-N 2 2 344.684 3.057 10 0 EGAELP CC[N@@H+](Cc1cc2n(n1)CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545910 461164664 /nfs/dbraw/zinc/16/46/64/461164664.db2.gz YHQINRFBTUVDFJ-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP CC[N@H+](Cc1cc2n(n1)CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545910 461164671 /nfs/dbraw/zinc/16/46/71/461164671.db2.gz YHQINRFBTUVDFJ-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP CC[NH+](Cc1cc2n(n1)CCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545910 461164676 /nfs/dbraw/zinc/16/46/76/461164676.db2.gz YHQINRFBTUVDFJ-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP CC[NH+](Cc1cc2n(n1)CCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545910 461164682 /nfs/dbraw/zinc/16/46/82/461164682.db2.gz YHQINRFBTUVDFJ-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000662318187 461189200 /nfs/dbraw/zinc/18/92/00/461189200.db2.gz XGFXVXXSSHIUAO-LJQANCHMSA-N 2 2 346.515 3.357 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000662318187 461189211 /nfs/dbraw/zinc/18/92/11/461189211.db2.gz XGFXVXXSSHIUAO-LJQANCHMSA-N 2 2 346.515 3.357 10 0 EGAELP C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649577970 461189972 /nfs/dbraw/zinc/18/99/72/461189972.db2.gz APJJMKOUJFZPGT-HKUYNNGSSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649577970 461189977 /nfs/dbraw/zinc/18/99/77/461189977.db2.gz APJJMKOUJFZPGT-HKUYNNGSSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649585281 461195520 /nfs/dbraw/zinc/19/55/20/461195520.db2.gz RDJGYUNOZADAOU-LFUKPOHLSA-N 2 2 338.499 3.076 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649585281 461195524 /nfs/dbraw/zinc/19/55/24/461195524.db2.gz RDJGYUNOZADAOU-LFUKPOHLSA-N 2 2 338.499 3.076 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1CC1(C)C ZINC000662346039 461204047 /nfs/dbraw/zinc/20/40/47/461204047.db2.gz QQRZIDHBZXBYQM-DZGCQCFKSA-N 2 2 326.444 3.382 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1CC1(C)C ZINC000662346039 461204059 /nfs/dbraw/zinc/20/40/59/461204059.db2.gz QQRZIDHBZXBYQM-DZGCQCFKSA-N 2 2 326.444 3.382 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc4n(n3)CCCC4)C2)n2c1CCCC2 ZINC000649600474 461209246 /nfs/dbraw/zinc/20/92/46/461209246.db2.gz JQLHAAOUNUPHMU-INIZCTEOSA-N 2 2 339.487 3.132 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc4n(n3)CCCC4)C2)n2c1CCCC2 ZINC000649600474 461209252 /nfs/dbraw/zinc/20/92/52/461209252.db2.gz JQLHAAOUNUPHMU-INIZCTEOSA-N 2 2 339.487 3.132 10 0 EGAELP c1ccc(OC2CCC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655730627 461398726 /nfs/dbraw/zinc/39/87/26/461398726.db2.gz PTFYYNSETZSVSZ-HXUWFJFHSA-N 2 2 344.499 3.351 10 0 EGAELP FC(F)Oc1c(Br)cccc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754324 461420882 /nfs/dbraw/zinc/42/08/82/461420882.db2.gz UFSWWKICSUERIB-UHFFFAOYSA-N 2 2 349.219 3.236 10 0 EGAELP FC1(F)C[C@@]12CC[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908657 461445986 /nfs/dbraw/zinc/44/59/86/461445986.db2.gz UDGDCUGBIIGCEQ-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908657 461445989 /nfs/dbraw/zinc/44/59/89/461445989.db2.gz UDGDCUGBIIGCEQ-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908657 461445991 /nfs/dbraw/zinc/44/59/91/461445991.db2.gz UDGDCUGBIIGCEQ-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908657 461445994 /nfs/dbraw/zinc/44/59/94/461445994.db2.gz UDGDCUGBIIGCEQ-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]2COC[C@H]2O1 ZINC000649914366 461448319 /nfs/dbraw/zinc/44/83/19/461448319.db2.gz NPWATNLMCRBDSY-WOJBJXKFSA-N 2 2 344.499 3.051 10 0 EGAELP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]2COC[C@H]2O1 ZINC000649914366 461448325 /nfs/dbraw/zinc/44/83/25/461448325.db2.gz NPWATNLMCRBDSY-WOJBJXKFSA-N 2 2 344.499 3.051 10 0 EGAELP c1c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)onc1C1CC1 ZINC000638521582 461467074 /nfs/dbraw/zinc/46/70/74/461467074.db2.gz LKDWUYHXWCZFON-QGZVFWFLSA-N 2 2 325.456 3.206 10 0 EGAELP c1c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)onc1C1CC1 ZINC000638521582 461467083 /nfs/dbraw/zinc/46/70/83/461467083.db2.gz LKDWUYHXWCZFON-QGZVFWFLSA-N 2 2 325.456 3.206 10 0 EGAELP CN(c1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000642266523 461482706 /nfs/dbraw/zinc/48/27/06/461482706.db2.gz WQBWICRDVSNJDD-PBWFPOADSA-N 2 2 339.418 3.312 10 0 EGAELP CN(c1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000642266523 461482713 /nfs/dbraw/zinc/48/27/13/461482713.db2.gz WQBWICRDVSNJDD-PBWFPOADSA-N 2 2 339.418 3.312 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012782 461544488 /nfs/dbraw/zinc/54/44/88/461544488.db2.gz UIDDOTJEOKSZLW-SWLSCSKDSA-N 2 2 328.378 3.343 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012782 461544494 /nfs/dbraw/zinc/54/44/94/461544494.db2.gz UIDDOTJEOKSZLW-SWLSCSKDSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012782 461544501 /nfs/dbraw/zinc/54/45/01/461544501.db2.gz UIDDOTJEOKSZLW-SWLSCSKDSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012782 461544508 /nfs/dbraw/zinc/54/45/08/461544508.db2.gz UIDDOTJEOKSZLW-SWLSCSKDSA-N 2 2 328.378 3.343 10 0 EGAELP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479523 461724580 /nfs/dbraw/zinc/72/45/80/461724580.db2.gz JVTJDPPRJUQCIL-DZGCQCFKSA-N 2 2 331.485 3.269 10 0 EGAELP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479523 461724587 /nfs/dbraw/zinc/72/45/87/461724587.db2.gz JVTJDPPRJUQCIL-DZGCQCFKSA-N 2 2 331.485 3.269 10 0 EGAELP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614518 461773646 /nfs/dbraw/zinc/77/36/46/461773646.db2.gz AZGUZRRFNULHRL-SFTDATJTSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614518 461773653 /nfs/dbraw/zinc/77/36/53/461773653.db2.gz AZGUZRRFNULHRL-SFTDATJTSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614518 461773657 /nfs/dbraw/zinc/77/36/57/461773657.db2.gz AZGUZRRFNULHRL-SFTDATJTSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614518 461773661 /nfs/dbraw/zinc/77/36/61/461773661.db2.gz AZGUZRRFNULHRL-SFTDATJTSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000656701871 461848801 /nfs/dbraw/zinc/84/88/01/461848801.db2.gz FBJZDSIXNCLOMD-MOPGFXCFSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000656701871 461848809 /nfs/dbraw/zinc/84/88/09/461848809.db2.gz FBJZDSIXNCLOMD-MOPGFXCFSA-N 2 2 342.483 3.042 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899789 461876226 /nfs/dbraw/zinc/87/62/26/461876226.db2.gz WKBPFOOGBXVGII-WDYCEAGBSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899789 461876235 /nfs/dbraw/zinc/87/62/35/461876235.db2.gz WKBPFOOGBXVGII-WDYCEAGBSA-N 2 2 329.488 3.040 10 0 EGAELP c1nc([C@H]2CCCO2)sc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788916 461899182 /nfs/dbraw/zinc/89/91/82/461899182.db2.gz IYTKZDQBYZKPQE-KZNAEPCWSA-N 2 2 343.496 3.230 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sccc2C)cc1F ZINC000656791136 461900937 /nfs/dbraw/zinc/90/09/37/461900937.db2.gz UGODJYRJPVBTPK-HOCLYGCPSA-N 2 2 334.460 3.440 10 0 EGAELP CC(C)N(C)c1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000656792693 461902508 /nfs/dbraw/zinc/90/25/08/461902508.db2.gz NAKWPHMAMPLPDG-IBGZPJMESA-N 2 2 340.471 3.199 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCO1 ZINC000653874149 461910175 /nfs/dbraw/zinc/91/01/75/461910175.db2.gz BVVFJQMYNKBUJZ-QHAWAJNXSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCO1 ZINC000653874149 461910178 /nfs/dbraw/zinc/91/01/78/461910178.db2.gz BVVFJQMYNKBUJZ-QHAWAJNXSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCO1 ZINC000653874146 461910213 /nfs/dbraw/zinc/91/02/13/461910213.db2.gz BVVFJQMYNKBUJZ-ACRUOGEOSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCO1 ZINC000653874146 461910218 /nfs/dbraw/zinc/91/02/18/461910218.db2.gz BVVFJQMYNKBUJZ-ACRUOGEOSA-N 2 2 346.515 3.215 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970154 461913160 /nfs/dbraw/zinc/91/31/60/461913160.db2.gz FPDXKEXUJOSGJE-OXJNMPFZSA-N 2 2 327.472 3.100 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970154 461913164 /nfs/dbraw/zinc/91/31/64/461913164.db2.gz FPDXKEXUJOSGJE-OXJNMPFZSA-N 2 2 327.472 3.100 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000664079159 461935602 /nfs/dbraw/zinc/93/56/02/461935602.db2.gz BVATYMXQKCQKGE-OAHLLOKOSA-N 2 2 343.393 3.100 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C2 ZINC000644534180 461973465 /nfs/dbraw/zinc/97/34/65/461973465.db2.gz BWKYEGJCSXHARA-QZTJIDSGSA-N 2 2 341.499 3.079 10 0 EGAELP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nnn1C1CCC1 ZINC000657298167 462026760 /nfs/dbraw/zinc/02/67/60/462026760.db2.gz TYKIJCLXPORQCU-UHFFFAOYSA-N 2 2 339.487 3.279 10 0 EGAELP CC[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CO1 ZINC000657369868 462078000 /nfs/dbraw/zinc/07/80/00/462078000.db2.gz HTNBZNFGQWXBON-NZSAHSFTSA-N 2 2 332.488 3.044 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H]1c1cccs1 ZINC000657374150 462078996 /nfs/dbraw/zinc/07/89/96/462078996.db2.gz FQTLFISHYZVODI-KDOFPFPSSA-N 2 2 345.516 3.237 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H]1c1cccs1 ZINC000657374150 462079003 /nfs/dbraw/zinc/07/90/03/462079003.db2.gz FQTLFISHYZVODI-KDOFPFPSSA-N 2 2 345.516 3.237 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000657417491 462109548 /nfs/dbraw/zinc/10/95/48/462109548.db2.gz NZXJLLPEIIWFFR-AEFFLSMTSA-N 2 2 348.853 3.157 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657523659 462164657 /nfs/dbraw/zinc/16/46/57/462164657.db2.gz HPQCGPFZZREXCU-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657523659 462164659 /nfs/dbraw/zinc/16/46/59/462164659.db2.gz HPQCGPFZZREXCU-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000657523075 462165572 /nfs/dbraw/zinc/16/55/72/462165572.db2.gz DCKZFGKLTASCAS-CYBMUJFWSA-N 2 2 334.414 3.317 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000657523075 462165576 /nfs/dbraw/zinc/16/55/76/462165576.db2.gz DCKZFGKLTASCAS-CYBMUJFWSA-N 2 2 334.414 3.317 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524463 462167406 /nfs/dbraw/zinc/16/74/06/462167406.db2.gz OZBARRCTSRQKPD-LJQANCHMSA-N 3 2 345.531 3.124 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524463 462167413 /nfs/dbraw/zinc/16/74/13/462167413.db2.gz OZBARRCTSRQKPD-LJQANCHMSA-N 3 2 345.531 3.124 10 0 EGAELP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527865 462167614 /nfs/dbraw/zinc/16/76/14/462167614.db2.gz YXVTVQHUBLWUKQ-ZDUSSCGKSA-N 2 2 326.282 3.115 10 0 EGAELP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527865 462167621 /nfs/dbraw/zinc/16/76/21/462167621.db2.gz YXVTVQHUBLWUKQ-ZDUSSCGKSA-N 2 2 326.282 3.115 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(SC)cc1OC ZINC000657525676 462168462 /nfs/dbraw/zinc/16/84/62/462168462.db2.gz VFDRBMGHHVHXHA-CQSZACIVSA-N 2 2 338.517 3.388 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(SC)cc1OC ZINC000657525676 462168465 /nfs/dbraw/zinc/16/84/65/462168465.db2.gz VFDRBMGHHVHXHA-CQSZACIVSA-N 2 2 338.517 3.388 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2noc3ccccc32)CC1 ZINC000657533701 462170983 /nfs/dbraw/zinc/17/09/83/462170983.db2.gz ORRHBTGATCVZAD-UHFFFAOYSA-N 2 2 341.377 3.377 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571161 462186291 /nfs/dbraw/zinc/18/62/91/462186291.db2.gz WASXHAHOGRZBKO-NJAFHUGGSA-N 2 2 337.471 3.071 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ncnn21 ZINC000657571161 462186294 /nfs/dbraw/zinc/18/62/94/462186294.db2.gz WASXHAHOGRZBKO-NJAFHUGGSA-N 2 2 337.471 3.071 10 0 EGAELP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657618991 462205155 /nfs/dbraw/zinc/20/51/55/462205155.db2.gz JOIJXCKKVVQUDT-MRXNPFEDSA-N 2 2 344.833 3.318 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657872667 462304257 /nfs/dbraw/zinc/30/42/57/462304257.db2.gz SAIVRHDBGMRDRI-UIFIKXQLSA-N 2 2 346.515 3.243 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657872667 462304261 /nfs/dbraw/zinc/30/42/61/462304261.db2.gz SAIVRHDBGMRDRI-UIFIKXQLSA-N 2 2 346.515 3.243 10 0 EGAELP FCC1(CF)CC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000657877959 462305704 /nfs/dbraw/zinc/30/57/04/462305704.db2.gz LPSNBCFTNSRPHW-UHFFFAOYSA-N 2 2 332.504 3.416 10 0 EGAELP Cc1cccn2c(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)c[nH+]c12 ZINC000667954557 462343230 /nfs/dbraw/zinc/34/32/30/462343230.db2.gz BGVHMNSNAADGHM-HNNXBMFYSA-N 2 2 329.448 3.029 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000658056497 462358755 /nfs/dbraw/zinc/35/87/55/462358755.db2.gz LNPQRMCVBWBEAJ-TZQQIIETSA-N 2 2 341.499 3.282 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000658056497 462358760 /nfs/dbraw/zinc/35/87/60/462358760.db2.gz LNPQRMCVBWBEAJ-TZQQIIETSA-N 2 2 341.499 3.282 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056464 462359481 /nfs/dbraw/zinc/35/94/81/462359481.db2.gz LJJDOVZWHRVAAW-UKRRQHHQSA-N 2 2 336.476 3.236 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056464 462359485 /nfs/dbraw/zinc/35/94/85/462359485.db2.gz LJJDOVZWHRVAAW-UKRRQHHQSA-N 2 2 336.476 3.236 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061561 462363577 /nfs/dbraw/zinc/36/35/77/462363577.db2.gz OZMLBLANVDUNED-BXUZGUMPSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061561 462363581 /nfs/dbraw/zinc/36/35/81/462363581.db2.gz OZMLBLANVDUNED-BXUZGUMPSA-N 2 2 326.282 3.368 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000665255699 462371373 /nfs/dbraw/zinc/37/13/73/462371373.db2.gz ZODDOXDEBQSZBT-QZHFEQFPSA-N 2 2 340.471 3.023 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccoc2)cc1F ZINC000665260123 462374021 /nfs/dbraw/zinc/37/40/21/462374021.db2.gz XSYIUGPHKOHJKY-OWQGQXMQSA-N 2 2 332.419 3.094 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnc(C)s2)cc1F ZINC000665259337 462374602 /nfs/dbraw/zinc/37/46/02/462374602.db2.gz CFYJWCXUVMIWSF-PJODQICGSA-N 2 2 349.475 3.396 10 0 EGAELP CCc1ccc([C@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000668053955 462392929 /nfs/dbraw/zinc/39/29/29/462392929.db2.gz INDMAFBBJOPIPH-OAQYLSRUSA-N 2 2 348.450 3.403 10 0 EGAELP CCc1ccc([C@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000668053955 462392931 /nfs/dbraw/zinc/39/29/31/462392931.db2.gz INDMAFBBJOPIPH-OAQYLSRUSA-N 2 2 348.450 3.403 10 0 EGAELP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199944 462469676 /nfs/dbraw/zinc/46/96/76/462469676.db2.gz IQCYTFSYPVQILK-KBPBESRZSA-N 2 2 345.443 3.034 10 0 EGAELP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199944 462469682 /nfs/dbraw/zinc/46/96/82/462469682.db2.gz IQCYTFSYPVQILK-KBPBESRZSA-N 2 2 345.443 3.034 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662140442 462530905 /nfs/dbraw/zinc/53/09/05/462530905.db2.gz DQVIYCXQKKBDOO-JXFKEZNVSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662140442 462530907 /nfs/dbraw/zinc/53/09/07/462530907.db2.gz DQVIYCXQKKBDOO-JXFKEZNVSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1cc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C(C)C ZINC000662157838 462533063 /nfs/dbraw/zinc/53/30/63/462533063.db2.gz RYRGXHOCICIZNI-LJQANCHMSA-N 2 2 346.515 3.028 10 0 EGAELP Cc1cc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1C(C)C ZINC000662157838 462533064 /nfs/dbraw/zinc/53/30/64/462533064.db2.gz RYRGXHOCICIZNI-LJQANCHMSA-N 2 2 346.515 3.028 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000178317368 534779314 /nfs/dbraw/zinc/77/93/14/534779314.db2.gz SWRNSWZVROPMOC-IBGZPJMESA-N 2 2 335.455 3.101 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000178317368 534779326 /nfs/dbraw/zinc/77/93/26/534779326.db2.gz SWRNSWZVROPMOC-IBGZPJMESA-N 2 2 335.455 3.101 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247127428 536172973 /nfs/dbraw/zinc/17/29/73/536172973.db2.gz KDTHQPIEVZNYBK-RHSMWYFYSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247127428 536172978 /nfs/dbraw/zinc/17/29/78/536172978.db2.gz KDTHQPIEVZNYBK-RHSMWYFYSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000106216609 536173217 /nfs/dbraw/zinc/17/32/17/536173217.db2.gz FFBSYFFMBIDSPS-GOSISDBHSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000106216609 536173220 /nfs/dbraw/zinc/17/32/20/536173220.db2.gz FFBSYFFMBIDSPS-GOSISDBHSA-N 2 2 340.471 3.284 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000086247935 546631868 /nfs/dbraw/zinc/63/18/68/546631868.db2.gz IKUUMQUDADSLKX-OAHLLOKOSA-N 2 2 337.427 3.035 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568739 /nfs/dbraw/zinc/56/87/39/547568739.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568743 /nfs/dbraw/zinc/56/87/43/547568743.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568745 /nfs/dbraw/zinc/56/87/45/547568745.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568749 /nfs/dbraw/zinc/56/87/49/547568749.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 3 2 333.545 3.347 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)n1C ZINC000631199771 548140912 /nfs/dbraw/zinc/14/09/12/548140912.db2.gz MSWCQGBZVSZETP-FQEVSTJZSA-N 2 2 349.482 3.345 10 0 EGAELP Cc1cccc2ncc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)n21 ZINC000674046191 548679518 /nfs/dbraw/zinc/67/95/18/548679518.db2.gz OIBFYXUIYKOENM-LJQANCHMSA-N 2 2 345.450 3.450 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000678782440 549561412 /nfs/dbraw/zinc/56/14/12/549561412.db2.gz QGGBTJRNEIUHAZ-IBGZPJMESA-N 2 2 330.447 3.143 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000678782440 549561414 /nfs/dbraw/zinc/56/14/14/549561414.db2.gz QGGBTJRNEIUHAZ-IBGZPJMESA-N 2 2 330.447 3.143 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024835 549617659 /nfs/dbraw/zinc/61/76/59/549617659.db2.gz NVJASJPCUVELQP-YWMUFLPLSA-N 2 2 348.494 3.073 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024835 549617662 /nfs/dbraw/zinc/61/76/62/549617662.db2.gz NVJASJPCUVELQP-YWMUFLPLSA-N 2 2 348.494 3.073 10 0 EGAELP C[C@H](Cc1cccs1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044815 549625244 /nfs/dbraw/zinc/62/52/44/549625244.db2.gz QYJNSHYINPXYTL-YLJYHZDGSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@H](Cc1cccs1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044815 549625247 /nfs/dbraw/zinc/62/52/47/549625247.db2.gz QYJNSHYINPXYTL-YLJYHZDGSA-N 2 2 344.524 3.296 10 0 EGAELP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710177 550029842 /nfs/dbraw/zinc/02/98/42/550029842.db2.gz VCNKDKROKNAFNK-XLIONFOSSA-N 2 2 346.540 3.494 10 0 EGAELP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710177 550029843 /nfs/dbraw/zinc/02/98/43/550029843.db2.gz VCNKDKROKNAFNK-XLIONFOSSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710177 550029845 /nfs/dbraw/zinc/02/98/45/550029845.db2.gz VCNKDKROKNAFNK-XLIONFOSSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710177 550029846 /nfs/dbraw/zinc/02/98/46/550029846.db2.gz VCNKDKROKNAFNK-XLIONFOSSA-N 2 2 346.540 3.494 10 0 EGAELP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)[NH+]2CCCC2)cc1 ZINC000684368140 550320826 /nfs/dbraw/zinc/32/08/26/550320826.db2.gz DZGPCDPIGTWLOV-SXLOBPIMSA-N 2 2 332.488 3.379 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000684598072 550347218 /nfs/dbraw/zinc/34/72/18/550347218.db2.gz QSTCMCLTBIOYNQ-UHFFFAOYSA-N 2 2 336.443 3.042 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851995 576817054 /nfs/dbraw/zinc/81/70/54/576817054.db2.gz UPARYQWURCUCDH-RBUKOAKNSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851995 576817055 /nfs/dbraw/zinc/81/70/55/576817055.db2.gz UPARYQWURCUCDH-RBUKOAKNSA-N 2 2 337.552 3.269 10 0 EGAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000176956687 1294644944 /nfs/dbraw/zinc/64/49/44/1294644944.db2.gz IILYYWKZYBADFF-QGZVFWFLSA-N 2 2 339.524 3.099 10 0 EGAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000176956687 1294644957 /nfs/dbraw/zinc/64/49/57/1294644957.db2.gz IILYYWKZYBADFF-QGZVFWFLSA-N 2 2 339.524 3.099 10 0 EGAELP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000872073919 1296719481 /nfs/dbraw/zinc/71/94/81/1296719481.db2.gz WXCIMSNBQBNQDK-ZBFHGGJFSA-N 2 2 341.455 3.342 10 0 EGAELP CC(C)OC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000872118059 1296744230 /nfs/dbraw/zinc/74/42/30/1296744230.db2.gz ZFKGIUHKJWCHNE-HKUYNNGSSA-N 2 2 331.504 3.229 10 0 EGAELP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000872118059 1296744244 /nfs/dbraw/zinc/74/42/44/1296744244.db2.gz ZFKGIUHKJWCHNE-HKUYNNGSSA-N 2 2 331.504 3.229 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)CN1C(=O)OC(C)(C)C ZINC000399064134 1297723406 /nfs/dbraw/zinc/72/34/06/1297723406.db2.gz KFMSJNISQHPUTI-SJORKVTESA-N 2 2 339.524 3.240 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886515383 1303483840 /nfs/dbraw/zinc/48/38/40/1303483840.db2.gz AZVIYOZOQNKICK-ULQDDVLXSA-N 2 2 346.425 3.421 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886515383 1303483845 /nfs/dbraw/zinc/48/38/45/1303483845.db2.gz AZVIYOZOQNKICK-ULQDDVLXSA-N 2 2 346.425 3.421 10 0 EGAELP C[C@@H](CC(=O)O[C@@H](C[N@@H+](C)Cc1ccccc1)C1CC1)n1cc[nH+]c1 ZINC000893696355 1306032939 /nfs/dbraw/zinc/03/29/39/1306032939.db2.gz GWMSKLNGVGDBAI-LPHOPBHVSA-N 2 2 341.455 3.288 10 0 EGAELP COC(=O)c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)[nH]c1C(C)C ZINC000894200832 1306273722 /nfs/dbraw/zinc/27/37/22/1306273722.db2.gz XBJXIQKLZDEYQK-MRXNPFEDSA-N 2 2 346.475 3.326 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894208291 1306278025 /nfs/dbraw/zinc/27/80/25/1306278025.db2.gz FRBPGLLWOIDXDB-HNNXBMFYSA-N 2 2 330.501 3.036 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000894208291 1306278033 /nfs/dbraw/zinc/27/80/33/1306278033.db2.gz FRBPGLLWOIDXDB-HNNXBMFYSA-N 2 2 330.501 3.036 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(CC2CCC3(CC2)OCCO3)c2cccc[nH+]2)CC1 ZINC000895112143 1309195233 /nfs/dbraw/zinc/19/52/33/1309195233.db2.gz MOFLWODFHFQJSC-IYARVYRRSA-N 2 2 345.487 3.091 10 0 EGAELP CCOCc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1OC ZINC000895670428 1309458320 /nfs/dbraw/zinc/45/83/20/1309458320.db2.gz HQGRHWGUKLWNQI-UHFFFAOYSA-N 2 2 332.488 3.292 10 0 EGAELP C[NH+](C)C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000929260415 1328550838 /nfs/dbraw/zinc/55/08/38/1328550838.db2.gz WPKWXEZZNAMJGS-WMLDXEAASA-N 2 2 342.405 3.195 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Br)cc1F ZINC000858165771 1328701047 /nfs/dbraw/zinc/70/10/47/1328701047.db2.gz MSTQNZZLYCKOBW-NSHDSACASA-N 2 2 338.224 3.267 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129366 1328792649 /nfs/dbraw/zinc/79/26/49/1328792649.db2.gz OQDDQCLRGFYJTC-CABCVRRESA-N 2 2 343.393 3.458 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000921816317 1322403882 /nfs/dbraw/zinc/40/38/82/1322403882.db2.gz HOVSPIIRFBWSLM-WMZOPIPTSA-N 2 2 338.499 3.052 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000921816317 1322403886 /nfs/dbraw/zinc/40/38/86/1322403886.db2.gz HOVSPIIRFBWSLM-WMZOPIPTSA-N 2 2 338.499 3.052 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924561397 1323055773 /nfs/dbraw/zinc/05/57/73/1323055773.db2.gz VWSCKQAEMDESJE-CZUORRHYSA-N 2 2 338.293 3.295 10 0 EGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924561397 1323055779 /nfs/dbraw/zinc/05/57/79/1323055779.db2.gz VWSCKQAEMDESJE-CZUORRHYSA-N 2 2 338.293 3.295 10 0 EGAELP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1CC1CCC1 ZINC000924645974 1323090185 /nfs/dbraw/zinc/09/01/85/1323090185.db2.gz QCZLEFGCCWJJFS-HNNXBMFYSA-N 2 2 327.476 3.109 10 0 EGAELP CC(C)Oc1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931290131 1329087003 /nfs/dbraw/zinc/08/70/03/1329087003.db2.gz IMTYDAZDLPLXIV-UHFFFAOYSA-N 2 2 332.488 3.161 10 0 EGAELP CC(C)Oc1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931290131 1329087007 /nfs/dbraw/zinc/08/70/07/1329087007.db2.gz IMTYDAZDLPLXIV-UHFFFAOYSA-N 2 2 332.488 3.161 10 0 EGAELP c1cn(C[C@@H]([NH2+]CCOC2CCSCC2)c2ccccc2)c[nH+]1 ZINC000931707077 1329167997 /nfs/dbraw/zinc/16/79/97/1329167997.db2.gz MTMOVYKZMFJRPV-GOSISDBHSA-N 2 2 331.485 3.126 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925597194 1325227284 /nfs/dbraw/zinc/22/72/84/1325227284.db2.gz PYNFPSUGIKZFST-VQTJNVASSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925597194 1325227291 /nfs/dbraw/zinc/22/72/91/1325227291.db2.gz PYNFPSUGIKZFST-VQTJNVASSA-N 2 2 332.488 3.208 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc(-c2ccccc2)no1 ZINC000925645176 1325245810 /nfs/dbraw/zinc/24/58/10/1325245810.db2.gz OLKZIBDSRBMBPB-BPQIPLTHSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1nc(-c2ccccc2)no1 ZINC000925645176 1325245814 /nfs/dbraw/zinc/24/58/14/1325245814.db2.gz OLKZIBDSRBMBPB-BPQIPLTHSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cccc(C[NH+](C)C)c1 ZINC000925999418 1325383667 /nfs/dbraw/zinc/38/36/67/1325383667.db2.gz AUMJOFYBTMQKDY-HNNXBMFYSA-N 2 2 335.455 3.384 10 0 EGAELP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)CC2 ZINC000926230034 1325485155 /nfs/dbraw/zinc/48/51/55/1325485155.db2.gz QNNIJZLOFITEOX-UXHICEINSA-N 2 2 332.451 3.037 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332387 1325518529 /nfs/dbraw/zinc/51/85/29/1325518529.db2.gz XMZAUDSNSJDQAC-GQGLESIBSA-N 2 2 348.453 3.442 10 0 EGAELP C[C@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926425476 1325548725 /nfs/dbraw/zinc/54/87/25/1325548725.db2.gz YVOLWMOSTDNPAK-KBXCAEBGSA-N 2 2 330.451 3.312 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc2ccccc21 ZINC000926505096 1325581070 /nfs/dbraw/zinc/58/10/70/1325581070.db2.gz YIWUXRGORNCJTP-VQIMIIECSA-N 2 2 342.483 3.346 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc2ccccc21 ZINC000926505096 1325581076 /nfs/dbraw/zinc/58/10/76/1325581076.db2.gz YIWUXRGORNCJTP-VQIMIIECSA-N 2 2 342.483 3.346 10 0 EGAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926861364 1327744417 /nfs/dbraw/zinc/74/44/17/1327744417.db2.gz YSJRLKBRGHOCLO-GJJHYRHESA-N 2 2 329.488 3.054 10 0 EGAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926861364 1327744426 /nfs/dbraw/zinc/74/44/26/1327744426.db2.gz YSJRLKBRGHOCLO-GJJHYRHESA-N 2 2 329.488 3.054 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000926963514 1327800929 /nfs/dbraw/zinc/80/09/29/1327800929.db2.gz UTQBRMFPSJVJBG-JQWIXIFHSA-N 2 2 335.311 3.128 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)c2ccccc2Cl)nc(C(C)C)[nH+]1 ZINC000863575885 1329564294 /nfs/dbraw/zinc/56/42/94/1329564294.db2.gz KXRKXJGXXLOXPM-INIZCTEOSA-N 2 2 348.878 3.297 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412077 1330108161 /nfs/dbraw/zinc/10/81/61/1330108161.db2.gz CPGSZGXCWGHNKH-HIFRSBDPSA-N 2 2 344.421 3.071 10 0 EGAELP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412077 1330108163 /nfs/dbraw/zinc/10/81/63/1330108163.db2.gz CPGSZGXCWGHNKH-HIFRSBDPSA-N 2 2 344.421 3.071 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704934 1330143124 /nfs/dbraw/zinc/14/31/24/1330143124.db2.gz REDGGXRUWLTDMM-IFXJQAMLSA-N 2 2 335.467 3.158 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704934 1330143127 /nfs/dbraw/zinc/14/31/27/1330143127.db2.gz REDGGXRUWLTDMM-IFXJQAMLSA-N 2 2 335.467 3.158 10 0 EGAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001324002800 1387506649 /nfs/dbraw/zinc/50/66/49/1387506649.db2.gz AUNMTUIIEHUDGS-WHXUGTBJSA-N 2 2 343.515 3.178 10 0 EGAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001324002800 1387506650 /nfs/dbraw/zinc/50/66/50/1387506650.db2.gz AUNMTUIIEHUDGS-WHXUGTBJSA-N 2 2 343.515 3.178 10 0 EGAELP CC(C)OC(=O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001198203402 1368979900 /nfs/dbraw/zinc/97/99/00/1368979900.db2.gz YSCMEHOWUOWGFP-UHFFFAOYSA-N 2 2 344.499 3.415 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894345 1388067804 /nfs/dbraw/zinc/06/78/04/1388067804.db2.gz APSLISIGUVJDDV-NYQZOWANSA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894345 1388067810 /nfs/dbraw/zinc/06/78/10/1388067810.db2.gz APSLISIGUVJDDV-NYQZOWANSA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001265688195 1377159676 /nfs/dbraw/zinc/15/96/76/1377159676.db2.gz OMABDZPEHGKIEE-JTGQJZMRSA-N 2 2 346.519 3.404 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001265688196 1377159684 /nfs/dbraw/zinc/15/96/84/1377159684.db2.gz OMABDZPEHGKIEE-LXXRFIIISA-N 2 2 346.519 3.404 10 0 EGAELP CC(C)C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC001136405267 1377389730 /nfs/dbraw/zinc/38/97/30/1377389730.db2.gz OUEFTENCHYSGFH-OKZBNKHCSA-N 2 2 348.535 3.343 10 0 EGAELP CCC1([NH2+]CCCOC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001327462789 1388526069 /nfs/dbraw/zinc/52/60/69/1388526069.db2.gz YZAPZDCTWMUGEY-UHFFFAOYSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)=CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001277382142 1378220423 /nfs/dbraw/zinc/22/04/23/1378220423.db2.gz HJTGNXCCKFHEIY-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)=CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001277382142 1378220434 /nfs/dbraw/zinc/22/04/34/1378220434.db2.gz HJTGNXCCKFHEIY-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001283883683 1379227963 /nfs/dbraw/zinc/22/79/63/1379227963.db2.gz DRRJQNYBQKQVRK-DOTOQJQBSA-N 2 2 347.503 3.038 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284065847 1379422276 /nfs/dbraw/zinc/42/22/76/1379422276.db2.gz DKAMCMBCQNPSII-YVWKXTFCSA-N 2 2 346.519 3.384 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284065847 1379422280 /nfs/dbraw/zinc/42/22/80/1379422280.db2.gz DKAMCMBCQNPSII-YVWKXTFCSA-N 2 2 346.519 3.384 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196668 1379589621 /nfs/dbraw/zinc/58/96/21/1379589621.db2.gz NCJGIYJJYFHUFZ-IRXDYDNUSA-N 2 2 342.487 3.403 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001284293905 1379682734 /nfs/dbraw/zinc/68/27/34/1379682734.db2.gz UQDALKXVEHMIQM-KRWDZBQOSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(CC[N@H+](C)CCC3CC3)C(C)C)ccn12 ZINC001284533073 1379938753 /nfs/dbraw/zinc/93/87/53/1379938753.db2.gz DPWCDOMRQGJKBA-UHFFFAOYSA-N 2 2 342.487 3.225 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(CC[N@@H+](C)CCC3CC3)C(C)C)ccn12 ZINC001284533073 1379938755 /nfs/dbraw/zinc/93/87/55/1379938755.db2.gz DPWCDOMRQGJKBA-UHFFFAOYSA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@@H](C)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284537322 1379944526 /nfs/dbraw/zinc/94/45/26/1379944526.db2.gz NUWVVVWWZFKRFG-OAHLLOKOSA-N 2 2 330.476 3.391 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284537322 1379944531 /nfs/dbraw/zinc/94/45/31/1379944531.db2.gz NUWVVVWWZFKRFG-OAHLLOKOSA-N 2 2 330.476 3.391 10 0 EGAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284609218 1380008724 /nfs/dbraw/zinc/00/87/24/1380008724.db2.gz KOQLWUCOSDDUHC-MRXNPFEDSA-N 2 2 330.476 3.115 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097673 1388669867 /nfs/dbraw/zinc/66/98/67/1388669867.db2.gz HRJKLCSIWXJFAO-MAUKXSAKSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097673 1388669870 /nfs/dbraw/zinc/66/98/70/1388669870.db2.gz HRJKLCSIWXJFAO-MAUKXSAKSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097673 1388669874 /nfs/dbraw/zinc/66/98/74/1388669874.db2.gz HRJKLCSIWXJFAO-MAUKXSAKSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097673 1388669875 /nfs/dbraw/zinc/66/98/75/1388669875.db2.gz HRJKLCSIWXJFAO-MAUKXSAKSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734493 1388832946 /nfs/dbraw/zinc/83/29/46/1388832946.db2.gz XIVRYOTZIMGOLP-MRXNPFEDSA-N 2 2 326.444 3.066 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734493 1388832949 /nfs/dbraw/zinc/83/29/49/1388832949.db2.gz XIVRYOTZIMGOLP-MRXNPFEDSA-N 2 2 326.444 3.066 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001302597304 1383759627 /nfs/dbraw/zinc/75/96/27/1383759627.db2.gz QKMMVAWTRUNFQG-VQTJNVASSA-N 2 2 341.499 3.086 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001302597304 1383759629 /nfs/dbraw/zinc/75/96/29/1383759629.db2.gz QKMMVAWTRUNFQG-VQTJNVASSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001302597304 1383759633 /nfs/dbraw/zinc/75/96/33/1383759633.db2.gz QKMMVAWTRUNFQG-VQTJNVASSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001302597304 1383759639 /nfs/dbraw/zinc/75/96/39/1383759639.db2.gz QKMMVAWTRUNFQG-VQTJNVASSA-N 2 2 341.499 3.086 10 0 EGAELP FC1(C2CC2)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001308130518 1384098781 /nfs/dbraw/zinc/09/87/81/1384098781.db2.gz OUFGKISXAPIIFI-FQEVSTJZSA-N 2 2 346.490 3.492 10 0 EGAELP FC1(C2CC2)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001308130518 1384098784 /nfs/dbraw/zinc/09/87/84/1384098784.db2.gz OUFGKISXAPIIFI-FQEVSTJZSA-N 2 2 346.490 3.492 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001316668434 1384512525 /nfs/dbraw/zinc/51/25/25/1384512525.db2.gz FRFPBMZGYKNUCJ-QGZVFWFLSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001316769539 1384568904 /nfs/dbraw/zinc/56/89/04/1384568904.db2.gz HESBMCDINPDLPI-LJQANCHMSA-N 2 2 348.535 3.460 10 0 EGAELP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001316879711 1384665036 /nfs/dbraw/zinc/66/50/36/1384665036.db2.gz YGENZHGFAWQNFR-FUHWJXTLSA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317176673 1384949047 /nfs/dbraw/zinc/94/90/47/1384949047.db2.gz CLAQFCJANPKJLY-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317176673 1384949050 /nfs/dbraw/zinc/94/90/50/1384949050.db2.gz CLAQFCJANPKJLY-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001317191088 1384965259 /nfs/dbraw/zinc/96/52/59/1384965259.db2.gz WOGYSUMYXVLQLY-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001317191088 1384965263 /nfs/dbraw/zinc/96/52/63/1384965263.db2.gz WOGYSUMYXVLQLY-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001317245752 1385019162 /nfs/dbraw/zinc/01/91/62/1385019162.db2.gz DJNOMIHTANMVNR-SJLPKXTDSA-N 2 2 332.492 3.065 10 0 EGAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001317269925 1385039655 /nfs/dbraw/zinc/03/96/55/1385039655.db2.gz JMVFZTBQBBPZPA-HZPDHXFCSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCC1CCCCCC1 ZINC001317269925 1385039660 /nfs/dbraw/zinc/03/96/60/1385039660.db2.gz JMVFZTBQBBPZPA-HZPDHXFCSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001317402543 1385116923 /nfs/dbraw/zinc/11/69/23/1385116923.db2.gz YWMFWZCGDSHHJH-CYBMUJFWSA-N 2 2 331.485 3.367 10 0 EGAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCCOC(F)(F)F)C2 ZINC001175975691 1385449756 /nfs/dbraw/zinc/44/97/56/1385449756.db2.gz YUSRJDCNUBWNGB-DLBZAZTESA-N 2 2 342.405 3.367 10 0 EGAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCOC(F)(F)F)C2 ZINC001175975691 1385449758 /nfs/dbraw/zinc/44/97/58/1385449758.db2.gz YUSRJDCNUBWNGB-DLBZAZTESA-N 2 2 342.405 3.367 10 0 EGAELP C[C@]12C[NH+](CCCOC(F)(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001175975691 1385449759 /nfs/dbraw/zinc/44/97/59/1385449759.db2.gz YUSRJDCNUBWNGB-DLBZAZTESA-N 2 2 342.405 3.367 10 0 EGAELP C[C@]12C[NH+](CCCOC(F)(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001175975691 1385449760 /nfs/dbraw/zinc/44/97/60/1385449760.db2.gz YUSRJDCNUBWNGB-DLBZAZTESA-N 2 2 342.405 3.367 10 0 EGAELP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842639 1385528888 /nfs/dbraw/zinc/52/88/88/1385528888.db2.gz WOEJHYKPFITDKH-GOSISDBHSA-N 2 2 348.535 3.287 10 0 EGAELP CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842639 1385528889 /nfs/dbraw/zinc/52/88/89/1385528889.db2.gz WOEJHYKPFITDKH-GOSISDBHSA-N 2 2 348.535 3.287 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317854012 1385536913 /nfs/dbraw/zinc/53/69/13/1385536913.db2.gz NINWUDUTXLHPIX-SJORKVTESA-N 2 2 334.508 3.051 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317854012 1385536917 /nfs/dbraw/zinc/53/69/17/1385536917.db2.gz NINWUDUTXLHPIX-SJORKVTESA-N 2 2 334.508 3.051 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001318024525 1385610475 /nfs/dbraw/zinc/61/04/75/1385610475.db2.gz BOFONOTZPZJDOB-INIZCTEOSA-N 2 2 344.503 3.088 10 0 EGAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318558813 1385756199 /nfs/dbraw/zinc/75/61/99/1385756199.db2.gz RHXGGFKMJLCIOW-MSOLQXFVSA-N 2 2 342.487 3.136 10 0 EGAELP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC[C@@H]1CCCCO1 ZINC001318558809 1385756538 /nfs/dbraw/zinc/75/65/38/1385756538.db2.gz RELUKKBQUUSIKM-MSOLQXFVSA-N 2 2 347.503 3.064 10 0 EGAELP c1cn(Cc2cccc(C[NH2+]Cc3cc(-c4ccccn4)n[nH]3)c2)c[nH+]1 ZINC001177222133 1385873650 /nfs/dbraw/zinc/87/36/50/1385873650.db2.gz GYEGZCUZHNLFDT-UHFFFAOYSA-N 2 2 344.422 3.006 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC1=CCCCC1 ZINC001319215923 1386009252 /nfs/dbraw/zinc/00/92/52/1386009252.db2.gz XUGYEYCZDGKHOJ-MRXNPFEDSA-N 2 2 340.471 3.180 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001319475888 1386137408 /nfs/dbraw/zinc/13/74/08/1386137408.db2.gz MIEHBOBPELMSQM-DLBZAZTESA-N 2 2 336.524 3.343 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001319475584 1386137916 /nfs/dbraw/zinc/13/79/16/1386137916.db2.gz JIAOXMZAULLQQS-HKUYNNGSSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001319692913 1386254580 /nfs/dbraw/zinc/25/45/80/1386254580.db2.gz WMMPVLXCDWYGIN-HOCLYGCPSA-N 2 2 328.460 3.193 10 0 EGAELP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001319763385 1386285543 /nfs/dbraw/zinc/28/55/43/1386285543.db2.gz MSYHGWQEVRXZPV-KRWDZBQOSA-N 2 2 340.471 3.109 10 0 EGAELP C[C@H](CC(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001320055611 1386479128 /nfs/dbraw/zinc/47/91/28/1386479128.db2.gz QXIDOALETBFUFW-LXPRWKDFSA-N 2 2 334.508 3.051 10 0 EGAELP C[C@H](CC(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001320055611 1386479131 /nfs/dbraw/zinc/47/91/31/1386479131.db2.gz QXIDOALETBFUFW-LXPRWKDFSA-N 2 2 334.508 3.051 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698671909 1406321048 /nfs/dbraw/zinc/32/10/48/1406321048.db2.gz GCFRXLZZWSMBLP-JKSUJKDBSA-N 2 2 342.487 3.441 10 0 EGAELP CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001181054884 1386925792 /nfs/dbraw/zinc/92/57/92/1386925792.db2.gz XCDRXRYBDOAQSK-KZNAEPCWSA-N 2 2 340.471 3.103 10 0 EGAELP CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001181054884 1386925795 /nfs/dbraw/zinc/92/57/95/1386925795.db2.gz XCDRXRYBDOAQSK-KZNAEPCWSA-N 2 2 340.471 3.103 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001322182810 1387091162 /nfs/dbraw/zinc/09/11/62/1387091162.db2.gz JOJPCEYTTKULSL-MRXNPFEDSA-N 2 2 347.503 3.040 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001322182810 1387091165 /nfs/dbraw/zinc/09/11/65/1387091165.db2.gz JOJPCEYTTKULSL-MRXNPFEDSA-N 2 2 347.503 3.040 10 0 EGAELP CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332098607 1389981071 /nfs/dbraw/zinc/98/10/71/1389981071.db2.gz DVJHYSYUBSVYGU-QWFCFKBJSA-N 2 2 346.519 3.384 10 0 EGAELP CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332098607 1389981076 /nfs/dbraw/zinc/98/10/76/1389981076.db2.gz DVJHYSYUBSVYGU-QWFCFKBJSA-N 2 2 346.519 3.384 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@@H]3C2)c(C)[nH+]1 ZINC001332139935 1390003826 /nfs/dbraw/zinc/00/38/26/1390003826.db2.gz LSLIHYYOJBFCHL-RCCFBDPRSA-N 2 2 347.478 3.197 10 0 EGAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001332454064 1390121999 /nfs/dbraw/zinc/12/19/99/1390121999.db2.gz RVFOBIKZOYANNH-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CC[C@H](C)F)CCCC2)c(C)[nH+]1 ZINC001698800303 1406474389 /nfs/dbraw/zinc/47/43/89/1406474389.db2.gz SSTGFGDXOKQKKH-AWEZNQCLSA-N 2 2 335.467 3.387 10 0 EGAELP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC001348853118 1391275626 /nfs/dbraw/zinc/27/56/26/1391275626.db2.gz RPVXAHIGKARSFL-IYWMVGAKSA-N 2 2 325.431 3.305 10 0 EGAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001479589109 1392282359 /nfs/dbraw/zinc/28/23/59/1392282359.db2.gz MDCSQTLRSMQTSD-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001698853875 1406559274 /nfs/dbraw/zinc/55/92/74/1406559274.db2.gz AXYZONUIYPUFJA-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001479694358 1392325443 /nfs/dbraw/zinc/32/54/43/1392325443.db2.gz OPMIZMCABFBXHP-MRXNPFEDSA-N 2 2 334.508 3.238 10 0 EGAELP CC(C)CC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001480405142 1392743027 /nfs/dbraw/zinc/74/30/27/1392743027.db2.gz MYGUPSNLFXJJBA-UHFFFAOYSA-N 2 2 328.460 3.240 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001698871458 1406591010 /nfs/dbraw/zinc/59/10/10/1406591010.db2.gz SZABCZHTALOKDS-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480738215 1392903585 /nfs/dbraw/zinc/90/35/85/1392903585.db2.gz WDJHDJOLTOYIRZ-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480738215 1392903588 /nfs/dbraw/zinc/90/35/88/1392903588.db2.gz WDJHDJOLTOYIRZ-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480738215 1392903590 /nfs/dbraw/zinc/90/35/90/1392903590.db2.gz WDJHDJOLTOYIRZ-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480738215 1392903594 /nfs/dbraw/zinc/90/35/94/1392903594.db2.gz WDJHDJOLTOYIRZ-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001480980898 1393065359 /nfs/dbraw/zinc/06/53/59/1393065359.db2.gz XHDBPHYMHMSLBT-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001480980898 1393065365 /nfs/dbraw/zinc/06/53/65/1393065365.db2.gz XHDBPHYMHMSLBT-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001480980898 1393065369 /nfs/dbraw/zinc/06/53/69/1393065369.db2.gz XHDBPHYMHMSLBT-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001480980898 1393065371 /nfs/dbraw/zinc/06/53/71/1393065371.db2.gz XHDBPHYMHMSLBT-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001481371822 1394213612 /nfs/dbraw/zinc/21/36/12/1394213612.db2.gz YWPQHHWUSZTELQ-SFHVURJKSA-N 2 2 342.487 3.226 10 0 EGAELP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001481374088 1394215685 /nfs/dbraw/zinc/21/56/85/1394215685.db2.gz YPTUAQQYIXBZGU-VQIMIIECSA-N 2 2 340.471 3.002 10 0 EGAELP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490767798 1394329593 /nfs/dbraw/zinc/32/95/93/1394329593.db2.gz WYUMOEFYOAVIAS-CABCVRRESA-N 2 2 346.450 3.095 10 0 EGAELP C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490767798 1394329595 /nfs/dbraw/zinc/32/95/95/1394329595.db2.gz WYUMOEFYOAVIAS-CABCVRRESA-N 2 2 346.450 3.095 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491252231 1394491902 /nfs/dbraw/zinc/49/19/02/1394491902.db2.gz LEUDSAMJYKWQNK-ROUUACIJSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944471 1394609863 /nfs/dbraw/zinc/60/98/63/1394609863.db2.gz QYOVFSCMUZESGQ-HXUWFJFHSA-N 2 2 346.519 3.187 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CCC2CCCCC2)CC1 ZINC001482006475 1394666146 /nfs/dbraw/zinc/66/61/46/1394666146.db2.gz YUKVUXNNUUSPEW-UHFFFAOYSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccsc2)CCCC1)n1cc[nH+]c1 ZINC001482231806 1394826467 /nfs/dbraw/zinc/82/64/67/1394826467.db2.gz YBLKWAXEWZDYHP-HNNXBMFYSA-N 2 2 346.500 3.115 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482338956 1394907405 /nfs/dbraw/zinc/90/74/05/1394907405.db2.gz QZUICADRHHQMSO-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CC[C@@H](C)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482386250 1394947130 /nfs/dbraw/zinc/94/71/30/1394947130.db2.gz FUHHSMWIZUFHDD-HIFRSBDPSA-N 2 2 334.439 3.045 10 0 EGAELP CC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CCCCC1 ZINC001482405752 1394968902 /nfs/dbraw/zinc/96/89/02/1394968902.db2.gz HUMCAXLJRQRRAL-QZTJIDSGSA-N 2 2 334.508 3.145 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001482478009 1395032266 /nfs/dbraw/zinc/03/22/66/1395032266.db2.gz JLNKBVXKQDEYPL-NGHLMZTLSA-N 2 2 346.519 3.260 10 0 EGAELP C[C@@]1(C[NH2+]CCCC2CCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484095856 1395248116 /nfs/dbraw/zinc/24/81/16/1395248116.db2.gz GUHZWHHHKIFURW-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@@]1(C[NH2+]CCCC2CCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484095856 1395248121 /nfs/dbraw/zinc/24/81/21/1395248121.db2.gz GUHZWHHHKIFURW-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001484161395 1395296087 /nfs/dbraw/zinc/29/60/87/1395296087.db2.gz VUTALPAWPASQQL-WFXBQMPUSA-N 2 2 344.503 3.088 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001484161395 1395296088 /nfs/dbraw/zinc/29/60/88/1395296088.db2.gz VUTALPAWPASQQL-WFXBQMPUSA-N 2 2 344.503 3.088 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484161395 1395296096 /nfs/dbraw/zinc/29/60/96/1395296096.db2.gz VUTALPAWPASQQL-WFXBQMPUSA-N 2 2 344.503 3.088 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484161395 1395296098 /nfs/dbraw/zinc/29/60/98/1395296098.db2.gz VUTALPAWPASQQL-WFXBQMPUSA-N 2 2 344.503 3.088 10 0 EGAELP CCC(CC)C[NH2+]C1CC[NH+](CCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001484419023 1395384305 /nfs/dbraw/zinc/38/43/05/1395384305.db2.gz YZCREQDKNAFZDB-FLIBITNWSA-N 2 2 337.552 3.195 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466393 1395403333 /nfs/dbraw/zinc/40/33/33/1395403333.db2.gz SYXKQZBEWNWHOV-OBNUAKFSSA-N 2 2 344.503 3.072 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466393 1395403337 /nfs/dbraw/zinc/40/33/37/1395403337.db2.gz SYXKQZBEWNWHOV-OBNUAKFSSA-N 2 2 344.503 3.072 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485483552 1395969054 /nfs/dbraw/zinc/96/90/54/1395969054.db2.gz WTXJISQVSGAGQN-VQIMIIECSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485483552 1395969059 /nfs/dbraw/zinc/96/90/59/1395969059.db2.gz WTXJISQVSGAGQN-VQIMIIECSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485483552 1395969078 /nfs/dbraw/zinc/96/90/78/1395969078.db2.gz WTXJISQVSGAGQN-VQIMIIECSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485483552 1395969088 /nfs/dbraw/zinc/96/90/88/1395969088.db2.gz WTXJISQVSGAGQN-VQIMIIECSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001486097470 1396177321 /nfs/dbraw/zinc/17/73/21/1396177321.db2.gz WNWZFWMVFZIHLI-DLBZAZTESA-N 2 2 334.508 3.069 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001492096996 1396304145 /nfs/dbraw/zinc/30/41/45/1396304145.db2.gz XBXXLDCUCBOUNR-JKSUJKDBSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001492096996 1396304146 /nfs/dbraw/zinc/30/41/46/1396304146.db2.gz XBXXLDCUCBOUNR-JKSUJKDBSA-N 2 2 346.519 3.043 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[N@@H+](C)CCCC(C)C)C2)c[nH+]1 ZINC001494146477 1396382612 /nfs/dbraw/zinc/38/26/12/1396382612.db2.gz SSTLXQWZPBCESI-SFHVURJKSA-N 2 2 348.535 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[N@H+](C)CCCC(C)C)C2)c[nH+]1 ZINC001494146477 1396382619 /nfs/dbraw/zinc/38/26/19/1396382619.db2.gz SSTLXQWZPBCESI-SFHVURJKSA-N 2 2 348.535 3.143 10 0 EGAELP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496126886 1396606973 /nfs/dbraw/zinc/60/69/73/1396606973.db2.gz TVCIFLRKZJUDGQ-MRXNPFEDSA-N 2 2 340.471 3.113 10 0 EGAELP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001497485529 1396765423 /nfs/dbraw/zinc/76/54/23/1396765423.db2.gz DHRZSSAPQGXLDM-CQSZACIVSA-N 2 2 346.450 3.026 10 0 EGAELP CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190617 1404392750 /nfs/dbraw/zinc/39/27/50/1404392750.db2.gz ALQVPTQUVUUXIR-HOCLYGCPSA-N 2 2 346.450 3.095 10 0 EGAELP CC[C@H](F)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190617 1404392759 /nfs/dbraw/zinc/39/27/59/1404392759.db2.gz ALQVPTQUVUUXIR-HOCLYGCPSA-N 2 2 346.450 3.095 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383570 1404515170 /nfs/dbraw/zinc/51/51/70/1404515170.db2.gz RDIGCXKUXNSPOR-HPFMTEOYSA-N 2 2 346.519 3.111 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383570 1404515173 /nfs/dbraw/zinc/51/51/73/1404515173.db2.gz RDIGCXKUXNSPOR-HPFMTEOYSA-N 2 2 346.519 3.111 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690416357 1404547158 /nfs/dbraw/zinc/54/71/58/1404547158.db2.gz LPPQNGZIKCWQBO-SJORKVTESA-N 2 2 335.467 3.197 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690480820 1404600297 /nfs/dbraw/zinc/60/02/97/1404600297.db2.gz SHFKPAKLHLFHLJ-SJLPKXTDSA-N 2 2 334.508 3.241 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)ccn12 ZINC001690575114 1404637310 /nfs/dbraw/zinc/63/73/10/1404637310.db2.gz OAHBMTGKFVWSNQ-CQSZACIVSA-N 2 2 330.476 3.177 10 0 EGAELP CC(C)(C)CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001691215369 1405155480 /nfs/dbraw/zinc/15/54/80/1405155480.db2.gz PEJGUQLJVRLCOQ-UHFFFAOYSA-N 2 2 328.460 3.193 10 0 EGAELP CC(C)(C)CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001691215369 1405155482 /nfs/dbraw/zinc/15/54/82/1405155482.db2.gz PEJGUQLJVRLCOQ-UHFFFAOYSA-N 2 2 328.460 3.193 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001691253991 1405182156 /nfs/dbraw/zinc/18/21/56/1405182156.db2.gz XYBQNNDBGZBLKQ-NZSAHSFTSA-N 2 2 346.519 3.289 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691304579 1405198427 /nfs/dbraw/zinc/19/84/27/1405198427.db2.gz CKXODJZNESOQEM-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001691637207 1405373030 /nfs/dbraw/zinc/37/30/30/1405373030.db2.gz VOZACFNDJKOGLT-ZRHASKPBSA-N 2 2 346.519 3.380 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691787107 1405495435 /nfs/dbraw/zinc/49/54/35/1405495435.db2.gz FAUBPJVJAPQMLG-CGKZAZMGSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691787107 1405495440 /nfs/dbraw/zinc/49/54/40/1405495440.db2.gz FAUBPJVJAPQMLG-CGKZAZMGSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691787107 1405495442 /nfs/dbraw/zinc/49/54/42/1405495442.db2.gz FAUBPJVJAPQMLG-CGKZAZMGSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691787107 1405495446 /nfs/dbraw/zinc/49/54/46/1405495446.db2.gz FAUBPJVJAPQMLG-CGKZAZMGSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691787108 1405495525 /nfs/dbraw/zinc/49/55/25/1405495525.db2.gz FAUBPJVJAPQMLG-WCPOWXKZSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691787108 1405495531 /nfs/dbraw/zinc/49/55/31/1405495531.db2.gz FAUBPJVJAPQMLG-WCPOWXKZSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691787108 1405495536 /nfs/dbraw/zinc/49/55/36/1405495536.db2.gz FAUBPJVJAPQMLG-WCPOWXKZSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691787108 1405495540 /nfs/dbraw/zinc/49/55/40/1405495540.db2.gz FAUBPJVJAPQMLG-WCPOWXKZSA-N 2 2 344.503 3.182 10 0 EGAELP C[N@H+](CCC1CC1)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691787578 1405496375 /nfs/dbraw/zinc/49/63/75/1405496375.db2.gz OMYFXPWRVFZVOI-KRWDZBQOSA-N 2 2 340.471 3.061 10 0 EGAELP C[N@@H+](CCC1CC1)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691787578 1405496380 /nfs/dbraw/zinc/49/63/80/1405496380.db2.gz OMYFXPWRVFZVOI-KRWDZBQOSA-N 2 2 340.471 3.061 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C)n1cc[nH+]c1 ZINC001691787746 1405497310 /nfs/dbraw/zinc/49/73/10/1405497310.db2.gz SGGIWFIOZBSMIU-ZWKOTPCHSA-N 2 2 334.508 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C)n1cc[nH+]c1 ZINC001691787746 1405497312 /nfs/dbraw/zinc/49/73/12/1405497312.db2.gz SGGIWFIOZBSMIU-ZWKOTPCHSA-N 2 2 334.508 3.192 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCC[NH2+]CCC(C)(C)C ZINC001691899332 1405622611 /nfs/dbraw/zinc/62/26/11/1405622611.db2.gz UEDODNNDOJSPJP-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001691960710 1405677989 /nfs/dbraw/zinc/67/79/89/1405677989.db2.gz VNLBCAHWCUKDSO-KRWDZBQOSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001691960710 1405677991 /nfs/dbraw/zinc/67/79/91/1405677991.db2.gz VNLBCAHWCUKDSO-KRWDZBQOSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001692119802 1405781498 /nfs/dbraw/zinc/78/14/98/1405781498.db2.gz LCBGOPLUIACHGG-FGTMMUONSA-N 2 2 334.508 3.240 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692120709 1405782706 /nfs/dbraw/zinc/78/27/06/1405782706.db2.gz JLLYHCGFYVFEQQ-HWYGNIMXSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692120709 1405782708 /nfs/dbraw/zinc/78/27/08/1405782708.db2.gz JLLYHCGFYVFEQQ-HWYGNIMXSA-N 2 2 344.503 3.230 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001692240249 1405864941 /nfs/dbraw/zinc/86/49/41/1405864941.db2.gz BDIIRJPAFMIQKD-MJGOQNOKSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001692240249 1405864947 /nfs/dbraw/zinc/86/49/47/1405864947.db2.gz BDIIRJPAFMIQKD-MJGOQNOKSA-N 2 2 346.519 3.213 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001698561898 1406162109 /nfs/dbraw/zinc/16/21/09/1406162109.db2.gz HPDOFDYVHZLZQH-ROUUACIJSA-N 2 2 334.508 3.193 10 0 EGAELP CCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001698561898 1406162110 /nfs/dbraw/zinc/16/21/10/1406162110.db2.gz HPDOFDYVHZLZQH-ROUUACIJSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001732234717 1428480953 /nfs/dbraw/zinc/48/09/53/1428480953.db2.gz BGANNNXFSZQBJR-HNNXBMFYSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001732234717 1428480954 /nfs/dbraw/zinc/48/09/54/1428480954.db2.gz BGANNNXFSZQBJR-HNNXBMFYSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C/C=C\Cl)CC(C)C)c(C)[nH+]1 ZINC001732466148 1428596305 /nfs/dbraw/zinc/59/63/05/1428596305.db2.gz JGQIIHUXKPDFDQ-WLMCBFPDSA-N 2 2 337.895 3.493 10 0 EGAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699118507 1412518902 /nfs/dbraw/zinc/51/89/02/1412518902.db2.gz DPZJAFMCCKOZGF-GFCCVEGCSA-N 2 2 346.500 3.070 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001699119236 1412519812 /nfs/dbraw/zinc/51/98/12/1412519812.db2.gz LMXGASKRPCZPCP-YJBOKZPZSA-N 2 2 347.503 3.064 10 0 EGAELP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699681590 1413075500 /nfs/dbraw/zinc/07/55/00/1413075500.db2.gz RPHYAPJLBVGOBU-QBUWPKIASA-N 2 2 344.503 3.302 10 0 EGAELP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700282079 1413727572 /nfs/dbraw/zinc/72/75/72/1413727572.db2.gz MHOXYFGWMHBSIL-SNAWJCMRSA-N 2 2 340.471 3.275 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001700291079 1413744376 /nfs/dbraw/zinc/74/43/76/1413744376.db2.gz FQMWQIJOPUSFIC-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001700291079 1413744377 /nfs/dbraw/zinc/74/43/77/1413744377.db2.gz FQMWQIJOPUSFIC-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358886 1413867222 /nfs/dbraw/zinc/86/72/22/1413867222.db2.gz BFXRDZFBMYDAIZ-SJORKVTESA-N 2 2 334.508 3.193 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358886 1413867228 /nfs/dbraw/zinc/86/72/28/1413867228.db2.gz BFXRDZFBMYDAIZ-SJORKVTESA-N 2 2 334.508 3.193 10 0 EGAELP Cc1cccc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC001732570125 1428764477 /nfs/dbraw/zinc/76/44/77/1428764477.db2.gz RNJLUVVGGJGRPI-HKUYNNGSSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@H](C)F)c(C)[nH+]1 ZINC001700443874 1414017532 /nfs/dbraw/zinc/01/75/32/1414017532.db2.gz XNTWIDVZSNGAIX-AWEZNQCLSA-N 2 2 337.483 3.443 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]CC3CCCCC3)ccn12 ZINC001732850194 1429009008 /nfs/dbraw/zinc/00/90/08/1429009008.db2.gz QGUJKCCWTWWQIB-AATRIKPKSA-N 2 2 340.471 3.099 10 0 EGAELP CC[C@@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001732916195 1429046305 /nfs/dbraw/zinc/04/63/05/1429046305.db2.gz LQDBUZHFAXNXJT-QDLOVBKTSA-N 2 2 346.862 3.019 10 0 EGAELP CC/C=C/CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001707144762 1417221283 /nfs/dbraw/zinc/22/12/83/1417221283.db2.gz UPEFCUDOMULPBI-FOSBAXRVSA-N 2 2 346.519 3.224 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001707242478 1417261925 /nfs/dbraw/zinc/26/19/25/1417261925.db2.gz DJMGVLVBQAMZTN-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCCC(C)(C)C ZINC001707456847 1417358917 /nfs/dbraw/zinc/35/89/17/1417358917.db2.gz WYATZOUGSIVHRO-KRWDZBQOSA-N 2 2 348.535 3.100 10 0 EGAELP CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCCC(C)(C)C ZINC001707456847 1417358920 /nfs/dbraw/zinc/35/89/20/1417358920.db2.gz WYATZOUGSIVHRO-KRWDZBQOSA-N 2 2 348.535 3.100 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001712975203 1417528009 /nfs/dbraw/zinc/52/80/09/1417528009.db2.gz TUZNRLOYWQTOHI-QGZVFWFLSA-N 2 2 348.535 3.489 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001712975203 1417528011 /nfs/dbraw/zinc/52/80/11/1417528011.db2.gz TUZNRLOYWQTOHI-QGZVFWFLSA-N 2 2 348.535 3.489 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713083055 1417628328 /nfs/dbraw/zinc/62/83/28/1417628328.db2.gz OVDMKJXRNMCEAZ-QWNKOJSDSA-N 2 2 340.471 3.193 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713083055 1417628335 /nfs/dbraw/zinc/62/83/35/1417628335.db2.gz OVDMKJXRNMCEAZ-QWNKOJSDSA-N 2 2 340.471 3.193 10 0 EGAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC(C)C)CC1 ZINC001713101775 1417655100 /nfs/dbraw/zinc/65/51/00/1417655100.db2.gz ZVZHXHFXOJOXLQ-UHFFFAOYSA-N 2 2 334.508 3.091 10 0 EGAELP CC(C)=CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001713689419 1418442780 /nfs/dbraw/zinc/44/27/80/1418442780.db2.gz GCXGKPJDCKKRDV-UHFFFAOYSA-N 2 2 334.508 3.110 10 0 EGAELP CC(C)=CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001713689419 1418442782 /nfs/dbraw/zinc/44/27/82/1418442782.db2.gz GCXGKPJDCKKRDV-UHFFFAOYSA-N 2 2 334.508 3.110 10 0 EGAELP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713908460 1418705843 /nfs/dbraw/zinc/70/58/43/1418705843.db2.gz OZPYNTBTAPEEIG-CALCHBBNSA-N 2 2 340.471 3.432 10 0 EGAELP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713908460 1418705845 /nfs/dbraw/zinc/70/58/45/1418705845.db2.gz OZPYNTBTAPEEIG-CALCHBBNSA-N 2 2 340.471 3.432 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713910628 1418707256 /nfs/dbraw/zinc/70/72/56/1418707256.db2.gz LBZUODKBTNSSJM-OLMNPRSZSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713910628 1418707258 /nfs/dbraw/zinc/70/72/58/1418707258.db2.gz LBZUODKBTNSSJM-OLMNPRSZSA-N 2 2 349.906 3.028 10 0 EGAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001714053449 1418852255 /nfs/dbraw/zinc/85/22/55/1418852255.db2.gz LDXLCROUSVWLNR-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001714053449 1418852256 /nfs/dbraw/zinc/85/22/56/1418852256.db2.gz LDXLCROUSVWLNR-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)=CC[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001714186010 1418993489 /nfs/dbraw/zinc/99/34/89/1418993489.db2.gz KTBPIQPUVQJDKC-AZUAARDMSA-N 2 2 346.519 3.284 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001714330200 1419109829 /nfs/dbraw/zinc/10/98/29/1419109829.db2.gz FAEGEOZMIYQCFC-INIZCTEOSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001714330200 1419109832 /nfs/dbraw/zinc/10/98/32/1419109832.db2.gz FAEGEOZMIYQCFC-INIZCTEOSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001715140201 1419887818 /nfs/dbraw/zinc/88/78/18/1419887818.db2.gz ZFSRLGSJUUMIQR-QFBILLFUSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCC[C@@H]1C ZINC001715140201 1419887821 /nfs/dbraw/zinc/88/78/21/1419887821.db2.gz ZFSRLGSJUUMIQR-QFBILLFUSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001715140198 1419888030 /nfs/dbraw/zinc/88/80/30/1419888030.db2.gz ZFSRLGSJUUMIQR-LPHOPBHVSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCC[C@@H]1C ZINC001715140198 1419888033 /nfs/dbraw/zinc/88/80/33/1419888033.db2.gz ZFSRLGSJUUMIQR-LPHOPBHVSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001715370936 1420066964 /nfs/dbraw/zinc/06/69/64/1420066964.db2.gz DTOWUWVOHISBMK-INIZCTEOSA-N 2 2 348.535 3.484 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001715410196 1420106991 /nfs/dbraw/zinc/10/69/91/1420106991.db2.gz ILZJZXDBVDUPJK-UGKULVSSSA-N 2 2 346.519 3.110 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001715435743 1420121998 /nfs/dbraw/zinc/12/19/98/1420121998.db2.gz RMQKGVAYNWHZQD-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001715435743 1420121999 /nfs/dbraw/zinc/12/19/99/1420121999.db2.gz RMQKGVAYNWHZQD-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715438052 1420123505 /nfs/dbraw/zinc/12/35/05/1420123505.db2.gz NZXCLVLZKXZXKN-ZBFHGGJFSA-N 2 2 346.450 3.285 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)c[nH+]1 ZINC001715591461 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PWXPRMZWKGNYIB-MSOLQXFVSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001717217268 1421195549 /nfs/dbraw/zinc/19/55/49/1421195549.db2.gz PWXPRMZWKGNYIB-MSOLQXFVSA-N 2 2 346.519 3.236 10 0 EGAELP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001717239120 1421207226 /nfs/dbraw/zinc/20/72/26/1421207226.db2.gz YOQQMIVDNLVRBY-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001717248107 1421219740 /nfs/dbraw/zinc/21/97/40/1421219740.db2.gz VBDOBFWWJLBCGQ-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001717248107 1421219742 /nfs/dbraw/zinc/21/97/42/1421219742.db2.gz VBDOBFWWJLBCGQ-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001717312205 1421257372 /nfs/dbraw/zinc/25/73/72/1421257372.db2.gz QYDXFFNBKPULEC-SJLPKXTDSA-N 2 2 346.519 3.241 10 0 EGAELP 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1438152417 /nfs/dbraw/zinc/15/24/17/1438152417.db2.gz ZLKNGCPIXPMHEW-GOSISDBHSA-N 2 2 342.487 3.122 10 0 EGAELP CC1CCC(C[NH2+]C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001734567048 1438162345 /nfs/dbraw/zinc/16/23/45/1438162345.db2.gz JUBRXYKYJYHNFR-ABHNRTSZSA-N 2 2 348.535 3.220 10 0 EGAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001734587383 1438177495 /nfs/dbraw/zinc/17/74/95/1438177495.db2.gz MDDHSFKCKWCTME-INIZCTEOSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944591 1440117809 /nfs/dbraw/zinc/11/78/09/1440117809.db2.gz MOBUAZOAKLVSGB-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944591 1440117810 /nfs/dbraw/zinc/11/78/10/1440117810.db2.gz MOBUAZOAKLVSGB-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103818 168311680 /nfs/dbraw/zinc/31/16/80/168311680.db2.gz YWPLMVPIFVITOP-JSGCOSHPSA-N 2 2 335.398 3.479 10 0 EGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103818 168311682 /nfs/dbraw/zinc/31/16/82/168311682.db2.gz YWPLMVPIFVITOP-JSGCOSHPSA-N 2 2 335.398 3.479 10 0 EGAELP COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730141 242007038 /nfs/dbraw/zinc/00/70/38/242007038.db2.gz RCLSWYVQTTZTBG-CTNGQTDRSA-N 2 2 349.434 3.189 10 0 EGAELP COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730141 242007043 /nfs/dbraw/zinc/00/70/43/242007043.db2.gz RCLSWYVQTTZTBG-CTNGQTDRSA-N 2 2 349.434 3.189 10 0 EGAELP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c(C4CC4)n3)CC2)oc1C ZINC000110603453 220047486 /nfs/dbraw/zinc/04/74/86/220047486.db2.gz UYUXSLXXVRSMQW-UHFFFAOYSA-N 2 2 341.459 3.283 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cnc2n1 ZINC000377405210 169021330 /nfs/dbraw/zinc/02/13/30/169021330.db2.gz UOLVCRIDCZWKPY-PXNSSMCTSA-N 2 2 349.482 3.099 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2cccnc2N2CCCCCCC2)n1C ZINC000011664578 211231272 /nfs/dbraw/zinc/23/12/72/211231272.db2.gz HZMOKVDLJSTOBE-UHFFFAOYSA-N 2 2 327.476 3.184 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638762 218236172 /nfs/dbraw/zinc/23/61/72/218236172.db2.gz JMZUPQWDZXHUDT-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638762 218236174 /nfs/dbraw/zinc/23/61/74/218236174.db2.gz JMZUPQWDZXHUDT-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638762 218236176 /nfs/dbraw/zinc/23/61/76/218236176.db2.gz JMZUPQWDZXHUDT-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638762 218236178 /nfs/dbraw/zinc/23/61/78/218236178.db2.gz JMZUPQWDZXHUDT-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000268768893 252218289 /nfs/dbraw/zinc/21/82/89/252218289.db2.gz OXPRBNAFVNVJLC-IBGZPJMESA-N 2 2 334.423 3.443 10 0 EGAELP Oc1ccc(Br)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269261072 255554909 /nfs/dbraw/zinc/55/49/09/255554909.db2.gz BZZMOSWAFQUGDS-UHFFFAOYSA-N 2 2 339.277 3.261 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154561686 224272789 /nfs/dbraw/zinc/27/27/89/224272789.db2.gz LSJQHLNJYNYSSM-MRXNPFEDSA-N 2 2 329.448 3.287 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154561686 224272792 /nfs/dbraw/zinc/27/27/92/224272792.db2.gz LSJQHLNJYNYSSM-MRXNPFEDSA-N 2 2 329.448 3.287 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@@H+]1C1CC1 ZINC000119290134 221287415 /nfs/dbraw/zinc/28/74/15/221287415.db2.gz DSNHWQKWTKDJHF-GUYCJALGSA-N 2 2 329.419 3.238 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@H+]1C1CC1 ZINC000119290134 221287418 /nfs/dbraw/zinc/28/74/18/221287418.db2.gz DSNHWQKWTKDJHF-GUYCJALGSA-N 2 2 329.419 3.238 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CCN(c3cc(C)[nH+]c(C)c3C#N)C1)CCCC2 ZINC000299740138 258009798 /nfs/dbraw/zinc/00/97/98/258009798.db2.gz WEYRXQWJNBUNBF-INIZCTEOSA-N 2 2 335.455 3.405 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000069813217 132816042 /nfs/dbraw/zinc/81/60/42/132816042.db2.gz HVCOFPRUFKWQCJ-UHFFFAOYSA-N 2 2 334.423 3.094 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246835436 141037651 /nfs/dbraw/zinc/03/76/51/141037651.db2.gz BWLCNCNNZIGZJH-QWQRMKEZSA-N 3 2 330.451 3.138 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246835436 141037652 /nfs/dbraw/zinc/03/76/52/141037652.db2.gz BWLCNCNNZIGZJH-QWQRMKEZSA-N 3 2 330.451 3.138 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000353438311 141295608 /nfs/dbraw/zinc/29/56/08/141295608.db2.gz XGXUOHFEHNZHTN-HZPDHXFCSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c[nH+]1 ZINC000353443896 141296851 /nfs/dbraw/zinc/29/68/51/141296851.db2.gz BBZKIPHPRUTTJM-UHFFFAOYSA-N 2 2 343.515 3.484 10 0 EGAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)sc1C ZINC000172752468 144027168 /nfs/dbraw/zinc/02/71/68/144027168.db2.gz QTLKLLIVKDVHBS-UHFFFAOYSA-N 2 2 349.544 3.045 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000175256131 144060992 /nfs/dbraw/zinc/06/09/92/144060992.db2.gz LHWFESNPTLKDGX-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000175256131 144060994 /nfs/dbraw/zinc/06/09/94/144060994.db2.gz LHWFESNPTLKDGX-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187891957 144166190 /nfs/dbraw/zinc/16/61/90/144166190.db2.gz JANFSWHITRFNQT-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187891957 144166192 /nfs/dbraw/zinc/16/61/92/144166192.db2.gz JANFSWHITRFNQT-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP CCC1(CC)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[S@@]1=O ZINC000192192641 144171789 /nfs/dbraw/zinc/17/17/89/144171789.db2.gz ZWLFKUGCYLFXOE-DEOSSOPVSA-N 2 2 345.512 3.304 10 0 EGAELP CCC1(CC)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[S@@]1=O ZINC000192192641 144171790 /nfs/dbraw/zinc/17/17/90/144171790.db2.gz ZWLFKUGCYLFXOE-DEOSSOPVSA-N 2 2 345.512 3.304 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872523 144234281 /nfs/dbraw/zinc/23/42/81/144234281.db2.gz UVAQSLSMBHJGQV-CWRNSKLLSA-N 2 2 330.394 3.206 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872523 144234284 /nfs/dbraw/zinc/23/42/84/144234284.db2.gz UVAQSLSMBHJGQV-CWRNSKLLSA-N 2 2 330.394 3.206 10 0 EGAELP CCC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000341292896 155228924 /nfs/dbraw/zinc/22/89/24/155228924.db2.gz YTFIDJIWXBRHKW-MSOLQXFVSA-N 2 2 346.519 3.250 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000118842208 152156927 /nfs/dbraw/zinc/15/69/27/152156927.db2.gz VIXXMPSZGXPGLQ-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000118842208 152156931 /nfs/dbraw/zinc/15/69/31/152156931.db2.gz VIXXMPSZGXPGLQ-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000118842208 152156934 /nfs/dbraw/zinc/15/69/34/152156934.db2.gz VIXXMPSZGXPGLQ-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000118842208 152156937 /nfs/dbraw/zinc/15/69/37/152156937.db2.gz VIXXMPSZGXPGLQ-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188400459 153013999 /nfs/dbraw/zinc/01/39/99/153013999.db2.gz KVTLNBYJSCOBBB-SFHVURJKSA-N 2 2 341.846 3.387 10 0 EGAELP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188400459 153014002 /nfs/dbraw/zinc/01/40/02/153014002.db2.gz KVTLNBYJSCOBBB-SFHVURJKSA-N 2 2 341.846 3.387 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000189721073 153092208 /nfs/dbraw/zinc/09/22/08/153092208.db2.gz IEPXHJJHQLRNPD-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP CC(C)N(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000190767385 153158175 /nfs/dbraw/zinc/15/81/75/153158175.db2.gz CCXBOGHQQHLYSJ-UHFFFAOYSA-N 2 2 339.487 3.080 10 0 EGAELP COCc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000337412174 154340703 /nfs/dbraw/zinc/34/07/03/154340703.db2.gz XNUCWHXORAOXDK-CQSZACIVSA-N 2 2 346.500 3.202 10 0 EGAELP COCc1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000337412174 154340706 /nfs/dbraw/zinc/34/07/06/154340706.db2.gz XNUCWHXORAOXDK-CQSZACIVSA-N 2 2 346.500 3.202 10 0 EGAELP CC(C)n1ccc(C[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000345062228 155916452 /nfs/dbraw/zinc/91/64/52/155916452.db2.gz IWGWRFYEENWPRK-INIZCTEOSA-N 2 2 327.476 3.049 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000348926973 156290483 /nfs/dbraw/zinc/29/04/83/156290483.db2.gz ZLIZWEARFPDDNI-MJGOQNOKSA-N 2 2 332.488 3.220 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000348926973 156290489 /nfs/dbraw/zinc/29/04/89/156290489.db2.gz ZLIZWEARFPDDNI-MJGOQNOKSA-N 2 2 332.488 3.220 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611988 162017719 /nfs/dbraw/zinc/01/77/19/162017719.db2.gz GIEWPCBYDSTZPU-KRWDZBQOSA-N 2 2 344.421 3.144 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611988 162017721 /nfs/dbraw/zinc/01/77/21/162017721.db2.gz GIEWPCBYDSTZPU-KRWDZBQOSA-N 2 2 344.421 3.144 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611988 162017723 /nfs/dbraw/zinc/01/77/23/162017723.db2.gz GIEWPCBYDSTZPU-KRWDZBQOSA-N 2 2 344.421 3.144 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611988 162017726 /nfs/dbraw/zinc/01/77/26/162017726.db2.gz GIEWPCBYDSTZPU-KRWDZBQOSA-N 2 2 344.421 3.144 10 0 EGAELP Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112075229 162161646 /nfs/dbraw/zinc/16/16/46/162161646.db2.gz RJSURIIQEXKQOU-OAHLLOKOSA-N 2 2 325.460 3.381 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000123257852 162254052 /nfs/dbraw/zinc/25/40/52/162254052.db2.gz GUKYDRHXPKUWNZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000123257852 162254056 /nfs/dbraw/zinc/25/40/56/162254056.db2.gz GUKYDRHXPKUWNZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000123257852 162254060 /nfs/dbraw/zinc/25/40/60/162254060.db2.gz GUKYDRHXPKUWNZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000123257852 162254064 /nfs/dbraw/zinc/25/40/64/162254064.db2.gz GUKYDRHXPKUWNZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000343638233 164000498 /nfs/dbraw/zinc/00/04/98/164000498.db2.gz LJRKRKFLUQWSNZ-UHFFFAOYSA-N 2 2 340.452 3.429 10 0 EGAELP CCCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912071 164064414 /nfs/dbraw/zinc/06/44/14/164064414.db2.gz BUAICBMTCOHHGO-WOJBJXKFSA-N 2 2 345.531 3.450 10 0 EGAELP CCCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912071 164064417 /nfs/dbraw/zinc/06/44/17/164064417.db2.gz BUAICBMTCOHHGO-WOJBJXKFSA-N 2 2 345.531 3.450 10 0 EGAELP CCN(CC)C(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346172483 164356745 /nfs/dbraw/zinc/35/67/45/164356745.db2.gz LSEDWZKNRMPPCO-UHFFFAOYSA-N 2 2 346.500 3.014 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443069 287136396 /nfs/dbraw/zinc/13/63/96/287136396.db2.gz WWKMXHALAWIBDS-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443069 287136399 /nfs/dbraw/zinc/13/63/99/287136399.db2.gz WWKMXHALAWIBDS-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000359541541 167186025 /nfs/dbraw/zinc/18/60/25/167186025.db2.gz RNJUUUOVLLGFQL-MRXNPFEDSA-N 2 2 339.361 3.284 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000359541541 167186029 /nfs/dbraw/zinc/18/60/29/167186029.db2.gz RNJUUUOVLLGFQL-MRXNPFEDSA-N 2 2 339.361 3.284 10 0 EGAELP CCOc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000359855735 167250417 /nfs/dbraw/zinc/25/04/17/167250417.db2.gz KJUMNMBIZYSWKI-PXNSSMCTSA-N 2 2 339.483 3.481 10 0 EGAELP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000359855735 167250420 /nfs/dbraw/zinc/25/04/20/167250420.db2.gz KJUMNMBIZYSWKI-PXNSSMCTSA-N 2 2 339.483 3.481 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000366022254 168073321 /nfs/dbraw/zinc/07/33/21/168073321.db2.gz DNZAIUDQNYJAHO-NSHDSACASA-N 2 2 344.406 3.350 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000366022254 168073323 /nfs/dbraw/zinc/07/33/23/168073323.db2.gz DNZAIUDQNYJAHO-NSHDSACASA-N 2 2 344.406 3.350 10 0 EGAELP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000366429631 168120186 /nfs/dbraw/zinc/12/01/86/168120186.db2.gz GVGVJEBMMQQLKH-IUDNXUCKSA-N 2 2 337.533 3.308 10 0 EGAELP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367258189 168199543 /nfs/dbraw/zinc/19/95/43/168199543.db2.gz PBUPKRTUIYUXIB-DLBZAZTESA-N 2 2 336.842 3.101 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000122878918 222176538 /nfs/dbraw/zinc/17/65/38/222176538.db2.gz DJTUGKWMVCYPCX-SFHVURJKSA-N 2 2 339.487 3.278 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000122878918 222176542 /nfs/dbraw/zinc/17/65/42/222176542.db2.gz DJTUGKWMVCYPCX-SFHVURJKSA-N 2 2 339.487 3.278 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123090673 222214764 /nfs/dbraw/zinc/21/47/64/222214764.db2.gz IYMSCJSQOFFCII-MAUKXSAKSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123090673 222214768 /nfs/dbraw/zinc/21/47/68/222214768.db2.gz IYMSCJSQOFFCII-MAUKXSAKSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090673 222214773 /nfs/dbraw/zinc/21/47/73/222214773.db2.gz IYMSCJSQOFFCII-MAUKXSAKSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123090673 222214776 /nfs/dbraw/zinc/21/47/76/222214776.db2.gz IYMSCJSQOFFCII-MAUKXSAKSA-N 2 2 331.504 3.337 10 0 EGAELP C[NH+](C)CCCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000123550017 222295694 /nfs/dbraw/zinc/29/56/94/222295694.db2.gz XYXOXSRKYMPNAC-UHFFFAOYSA-N 2 2 328.460 3.290 10 0 EGAELP COc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123594623 222302814 /nfs/dbraw/zinc/30/28/14/222302814.db2.gz KTZKCXJAULILKA-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123594623 222302818 /nfs/dbraw/zinc/30/28/18/222302818.db2.gz KTZKCXJAULILKA-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123594623 222302820 /nfs/dbraw/zinc/30/28/20/222302820.db2.gz KTZKCXJAULILKA-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123594623 222302822 /nfs/dbraw/zinc/30/28/22/222302822.db2.gz KTZKCXJAULILKA-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1 ZINC000677880742 549348849 /nfs/dbraw/zinc/34/88/49/549348849.db2.gz BFLSUKJNSPNDNM-KRWDZBQOSA-N 2 2 344.422 3.341 10 0 EGAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989520 266397698 /nfs/dbraw/zinc/39/76/98/266397698.db2.gz GFHCCVOSBJNJME-PKOBYXMFSA-N 2 2 343.515 3.049 10 0 EGAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989520 266397701 /nfs/dbraw/zinc/39/77/01/266397701.db2.gz GFHCCVOSBJNJME-PKOBYXMFSA-N 2 2 343.515 3.049 10 0 EGAELP Cc1nc(F)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278510844 268028589 /nfs/dbraw/zinc/02/85/89/268028589.db2.gz WSIGHISQERGMIX-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278510844 268028594 /nfs/dbraw/zinc/02/85/94/268028594.db2.gz WSIGHISQERGMIX-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278510844 268028597 /nfs/dbraw/zinc/02/85/97/268028597.db2.gz WSIGHISQERGMIX-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278510844 268028601 /nfs/dbraw/zinc/02/86/01/268028601.db2.gz WSIGHISQERGMIX-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000339362395 275375022 /nfs/dbraw/zinc/37/50/22/275375022.db2.gz QWGMMSDZPURKLB-KGLIPLIRSA-N 2 2 346.272 3.108 10 0 EGAELP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000291075234 276585335 /nfs/dbraw/zinc/58/53/35/276585335.db2.gz FWGLOLKORVFPFA-OAHLLOKOSA-N 2 2 339.361 3.342 10 0 EGAELP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000363682982 277042229 /nfs/dbraw/zinc/04/22/29/277042229.db2.gz YDFHPEYCQIQKBH-QGZVFWFLSA-N 2 2 347.890 3.393 10 0 EGAELP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000363682982 277042232 /nfs/dbraw/zinc/04/22/32/277042232.db2.gz YDFHPEYCQIQKBH-QGZVFWFLSA-N 2 2 347.890 3.393 10 0 EGAELP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361455306 278248540 /nfs/dbraw/zinc/24/85/40/278248540.db2.gz BVWDOBDMDFYERG-MRXNPFEDSA-N 2 2 336.442 3.324 10 0 EGAELP Cc1cc(N(CC[NH+](C)C)C2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000339966510 280539106 /nfs/dbraw/zinc/53/91/06/280539106.db2.gz CLWHLCCIOYEEGV-UHFFFAOYSA-N 2 2 325.460 3.158 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3cc(Br)ccc32)c1 ZINC000414120661 309062191 /nfs/dbraw/zinc/06/21/91/309062191.db2.gz DIFLSWVVWQBFAP-INIZCTEOSA-N 2 2 334.261 3.392 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000414292838 309071011 /nfs/dbraw/zinc/07/10/11/309071011.db2.gz CIAHVMHMEDFXBM-UHFFFAOYSA-N 2 2 342.462 3.426 10 0 EGAELP Cc1nc(N2CC[NH+](C[C@@H](OC(C)C)c3ccccc3)CC2)cc[nH+]1 ZINC000293349828 308122583 /nfs/dbraw/zinc/12/25/83/308122583.db2.gz XUEXQWHPYLHQRE-LJQANCHMSA-N 2 2 340.471 3.073 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CCCC[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000333109733 308850272 /nfs/dbraw/zinc/85/02/72/308850272.db2.gz GEASMSQHYLVPMI-HOTGVXAUSA-N 2 2 345.491 3.032 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000413063861 309014151 /nfs/dbraw/zinc/01/41/51/309014151.db2.gz RTAHQURDBQEFEZ-CABCVRRESA-N 2 2 346.272 3.458 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000413063861 309014152 /nfs/dbraw/zinc/01/41/52/309014152.db2.gz RTAHQURDBQEFEZ-CABCVRRESA-N 2 2 346.272 3.458 10 0 EGAELP c1sc(-c2ccccc2)nc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414870781 309106555 /nfs/dbraw/zinc/10/65/55/309106555.db2.gz CUHYEMLFZNGVSK-UHFFFAOYSA-N 2 2 338.480 3.475 10 0 EGAELP c1nc(C[NH2+]CCC[NH2+]Cc2cccnc2)sc1-c1ccccc1 ZINC000414878049 309106892 /nfs/dbraw/zinc/10/68/92/309106892.db2.gz NATKAPSWUPLVMH-UHFFFAOYSA-N 2 2 338.480 3.475 10 0 EGAELP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)cc2)n1 ZINC000415065969 309117854 /nfs/dbraw/zinc/11/78/54/309117854.db2.gz ICKMGVDXZAAMBX-AWEZNQCLSA-N 2 2 338.377 3.123 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415064675 309118006 /nfs/dbraw/zinc/11/80/06/309118006.db2.gz DKOHIPFWZHJZAR-AWEZNQCLSA-N 2 2 346.393 3.258 10 0 EGAELP COc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415079573 309118806 /nfs/dbraw/zinc/11/88/06/309118806.db2.gz ICGRBVCJODVSCY-HXUWFJFHSA-N 2 2 344.430 3.274 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415995770 309153665 /nfs/dbraw/zinc/15/36/65/309153665.db2.gz LMKHVFUIWHYTBA-UHFFFAOYSA-N 2 2 349.438 3.160 10 0 EGAELP CCn1c[nH+]cc1CNc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000417838860 309224654 /nfs/dbraw/zinc/22/46/54/309224654.db2.gz QWKVZLIUKWGHOE-IYBDPMFKSA-N 2 2 328.460 3.124 10 0 EGAELP CCn1c[nH+]cc1CNc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000417838860 309224655 /nfs/dbraw/zinc/22/46/55/309224655.db2.gz QWKVZLIUKWGHOE-IYBDPMFKSA-N 2 2 328.460 3.124 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357619 309283930 /nfs/dbraw/zinc/28/39/30/309283930.db2.gz DRFZEWIROHSGET-JXFKEZNVSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357619 309283931 /nfs/dbraw/zinc/28/39/31/309283931.db2.gz DRFZEWIROHSGET-JXFKEZNVSA-N 2 2 329.488 3.213 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420396079 309286367 /nfs/dbraw/zinc/28/63/67/309286367.db2.gz LPDVXAYRFXBSMT-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420396079 309286368 /nfs/dbraw/zinc/28/63/68/309286368.db2.gz LPDVXAYRFXBSMT-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420931754 309302314 /nfs/dbraw/zinc/30/23/14/309302314.db2.gz GYKDTKPMQFVTDU-KRWDZBQOSA-N 2 2 331.485 3.216 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000422751305 309366396 /nfs/dbraw/zinc/36/63/96/309366396.db2.gz BFZGHCQNHIKACG-ZLKJLUDKSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000422751302 309366452 /nfs/dbraw/zinc/36/64/52/309366452.db2.gz BFZGHCQNHIKACG-LERXQTSPSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422815563 309370009 /nfs/dbraw/zinc/37/00/09/309370009.db2.gz BYQHSWVJZINLRT-CXAGYDPISA-N 2 2 328.847 3.036 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422848901 309371982 /nfs/dbraw/zinc/37/19/82/309371982.db2.gz BHQHDSQGNSNGFA-NEWSRXKRSA-N 2 2 332.488 3.031 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422860617 309372425 /nfs/dbraw/zinc/37/24/25/309372425.db2.gz IJUZATQLJUBJFA-ZIFCJYIRSA-N 2 2 332.488 3.031 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2nccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422914222 309376063 /nfs/dbraw/zinc/37/60/63/309376063.db2.gz SFSVHGDPODSSNH-WMZOPIPTSA-N 2 2 331.485 3.167 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422990618 309379772 /nfs/dbraw/zinc/37/97/72/309379772.db2.gz NYIJZVSJBIMDPW-DVWBAYGPSA-N 2 2 346.515 3.409 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423061197 309383777 /nfs/dbraw/zinc/38/37/77/309383777.db2.gz KCFCAWCFWVFNQG-BXUZGUMPSA-N 2 2 327.266 3.078 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423075720 309384667 /nfs/dbraw/zinc/38/46/67/309384667.db2.gz XRERNJAISNPOLG-XHSDSOJGSA-N 2 2 346.393 3.045 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@H]2CCC[NH2+]2)cc1 ZINC000423169317 309389005 /nfs/dbraw/zinc/38/90/05/309389005.db2.gz JAHAMKASYJWUEO-YRXWBPOGSA-N 2 2 330.472 3.036 10 0 EGAELP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423248696 309392151 /nfs/dbraw/zinc/39/21/51/309392151.db2.gz SAMYABSLDQXVEA-KUHUBIRLSA-N 2 2 338.455 3.321 10 0 EGAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281247 309393801 /nfs/dbraw/zinc/39/38/01/309393801.db2.gz BAPJCBGPTVKNPV-TZIWHRDSSA-N 3 2 343.515 3.144 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293648 309394359 /nfs/dbraw/zinc/39/43/59/309394359.db2.gz RUXORLAOARHCHD-LLGFUMIMSA-N 3 2 338.499 3.102 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293648 309394360 /nfs/dbraw/zinc/39/43/60/309394360.db2.gz RUXORLAOARHCHD-LLGFUMIMSA-N 3 2 338.499 3.102 10 0 EGAELP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423499757 309403129 /nfs/dbraw/zinc/40/31/29/309403129.db2.gz JQIZLOMQYDNJSI-SJCJKPOMSA-N 2 2 333.867 3.089 10 0 EGAELP Cc1nc2[nH]ccc2c(NC2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000433781522 309696107 /nfs/dbraw/zinc/69/61/07/309696107.db2.gz XJDHABSWGUTZDT-UHFFFAOYSA-N 2 2 335.455 3.385 10 0 EGAELP COc1ncccc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449074342 310034935 /nfs/dbraw/zinc/03/49/35/310034935.db2.gz KOZIJCFFBWEFNA-QGZVFWFLSA-N 2 2 339.483 3.275 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449086153 310035997 /nfs/dbraw/zinc/03/59/97/310035997.db2.gz BAOHKEHNLCOMJX-COPCDDAFSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449086153 310035998 /nfs/dbraw/zinc/03/59/98/310035998.db2.gz BAOHKEHNLCOMJX-COPCDDAFSA-N 3 2 341.543 3.298 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449103035 310037405 /nfs/dbraw/zinc/03/74/05/310037405.db2.gz NWHSNAFXVPDKBG-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449103035 310037406 /nfs/dbraw/zinc/03/74/06/310037406.db2.gz NWHSNAFXVPDKBG-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449386526 310057987 /nfs/dbraw/zinc/05/79/87/310057987.db2.gz ITQHNOXYRAXCSD-YTQUADARSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449386526 310057988 /nfs/dbraw/zinc/05/79/88/310057988.db2.gz ITQHNOXYRAXCSD-YTQUADARSA-N 2 2 336.907 3.413 10 0 EGAELP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449405160 310059374 /nfs/dbraw/zinc/05/93/74/310059374.db2.gz IOSQTHYFOTWCCG-INIZCTEOSA-N 2 2 341.503 3.113 10 0 EGAELP CCC[C@@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449966092 310096440 /nfs/dbraw/zinc/09/64/40/310096440.db2.gz PCZNIQYQHVJHSM-MOPGFXCFSA-N 2 2 349.563 3.269 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258576 310267515 /nfs/dbraw/zinc/26/75/15/310267515.db2.gz HVMOIPVXZYZYSO-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258576 310267516 /nfs/dbraw/zinc/26/75/16/310267516.db2.gz HVMOIPVXZYZYSO-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263475 310267797 /nfs/dbraw/zinc/26/77/97/310267797.db2.gz LTHDKECOQHBKQW-NVXWUHKLSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263475 310267798 /nfs/dbraw/zinc/26/77/98/310267798.db2.gz LTHDKECOQHBKQW-NVXWUHKLSA-N 2 2 342.430 3.176 10 0 EGAELP COc1ccc(CCC2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000459317883 310543551 /nfs/dbraw/zinc/54/35/51/310543551.db2.gz VBYONDUGHYYGMH-UHFFFAOYSA-N 2 2 327.472 3.316 10 0 EGAELP COC1(c2ccccc2)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000459553221 310560270 /nfs/dbraw/zinc/56/02/70/310560270.db2.gz XCNFIJFAGSYSDR-UHFFFAOYSA-N 2 2 325.437 3.291 10 0 EGAELP CC(C)c1nc(NC[C@H]2CCc3[nH+]ccn3C2)cc(C(C)(C)C)[nH+]1 ZINC000467973190 310679836 /nfs/dbraw/zinc/67/98/36/310679836.db2.gz AQALCXQAKISDMP-CQSZACIVSA-N 2 2 327.476 3.190 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060393 311162688 /nfs/dbraw/zinc/16/26/88/311162688.db2.gz WVLCIWRSYWEAKQ-WOJBJXKFSA-N 2 2 349.563 3.366 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060393 311162689 /nfs/dbraw/zinc/16/26/89/311162689.db2.gz WVLCIWRSYWEAKQ-WOJBJXKFSA-N 2 2 349.563 3.366 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727632 312101250 /nfs/dbraw/zinc/10/12/50/312101250.db2.gz SXTZXEDMJZUYLQ-UZLBHIALSA-N 2 2 327.472 3.428 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727632 312101252 /nfs/dbraw/zinc/10/12/52/312101252.db2.gz SXTZXEDMJZUYLQ-UZLBHIALSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727632 312101253 /nfs/dbraw/zinc/10/12/53/312101253.db2.gz SXTZXEDMJZUYLQ-UZLBHIALSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727632 312101255 /nfs/dbraw/zinc/10/12/55/312101255.db2.gz SXTZXEDMJZUYLQ-UZLBHIALSA-N 2 2 327.472 3.428 10 0 EGAELP Cc1c[nH+]c(C)nc1N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000515498900 312286122 /nfs/dbraw/zinc/28/61/22/312286122.db2.gz KEHHTPKWCAWYTK-UHFFFAOYSA-N 2 2 325.460 3.231 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000528726232 313156687 /nfs/dbraw/zinc/15/66/87/313156687.db2.gz CBLVJKXHXXFUIB-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(F)cc1OC ZINC000529530879 313345284 /nfs/dbraw/zinc/34/52/84/313345284.db2.gz QOXOYBSJMHSQGV-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(F)cc1OC ZINC000529530879 313345287 /nfs/dbraw/zinc/34/52/87/313345287.db2.gz QOXOYBSJMHSQGV-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063677 314021778 /nfs/dbraw/zinc/02/17/78/314021778.db2.gz CLBYIXVQNAQYJC-DZGCQCFKSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063677 314021779 /nfs/dbraw/zinc/02/17/79/314021779.db2.gz CLBYIXVQNAQYJC-DZGCQCFKSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063694 314021884 /nfs/dbraw/zinc/02/18/84/314021884.db2.gz CLBYIXVQNAQYJC-HIFRSBDPSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063694 314021888 /nfs/dbraw/zinc/02/18/88/314021888.db2.gz CLBYIXVQNAQYJC-HIFRSBDPSA-N 2 2 328.859 3.487 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944586 314218860 /nfs/dbraw/zinc/21/88/60/314218860.db2.gz HIWNOICIMMWGSR-NMVRNDPTSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944586 314218861 /nfs/dbraw/zinc/21/88/61/314218861.db2.gz HIWNOICIMMWGSR-NMVRNDPTSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944586 314218864 /nfs/dbraw/zinc/21/88/64/314218864.db2.gz HIWNOICIMMWGSR-NMVRNDPTSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944586 314218867 /nfs/dbraw/zinc/21/88/67/314218867.db2.gz HIWNOICIMMWGSR-NMVRNDPTSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944584 314218968 /nfs/dbraw/zinc/21/89/68/314218968.db2.gz HIWNOICIMMWGSR-AQNCSGRASA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944584 314218970 /nfs/dbraw/zinc/21/89/70/314218970.db2.gz HIWNOICIMMWGSR-AQNCSGRASA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944584 314218972 /nfs/dbraw/zinc/21/89/72/314218972.db2.gz HIWNOICIMMWGSR-AQNCSGRASA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944584 314218973 /nfs/dbraw/zinc/21/89/73/314218973.db2.gz HIWNOICIMMWGSR-AQNCSGRASA-N 2 2 339.886 3.012 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)c1 ZINC000544408105 314693114 /nfs/dbraw/zinc/69/31/14/314693114.db2.gz QFCMIHWFTBIXRL-KRWDZBQOSA-N 2 2 325.456 3.091 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000551795752 315169286 /nfs/dbraw/zinc/16/92/86/315169286.db2.gz RCPOQILEJIBXCB-IJERAIBMSA-N 2 2 346.515 3.276 10 0 EGAELP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000554051464 315295328 /nfs/dbraw/zinc/29/53/28/315295328.db2.gz YCLZLXLZPGNKCG-RBUKOAKNSA-N 2 2 346.515 3.312 10 0 EGAELP COc1c[nH+]ccc1N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000566149948 316427270 /nfs/dbraw/zinc/42/72/70/316427270.db2.gz SDDZIGCKERJHGN-UHFFFAOYSA-N 2 2 338.386 3.104 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242622 317311059 /nfs/dbraw/zinc/31/10/59/317311059.db2.gz TVQVDXLXMVBFND-OALUTQOASA-N 2 2 325.500 3.010 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242622 317311062 /nfs/dbraw/zinc/31/10/62/317311062.db2.gz TVQVDXLXMVBFND-OALUTQOASA-N 2 2 325.500 3.010 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(F)(F)F)c(C)c1 ZINC000572475814 317344257 /nfs/dbraw/zinc/34/42/57/317344257.db2.gz UZIQJNOEWYFFKI-HOCLYGCPSA-N 2 2 341.377 3.144 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980314 324278155 /nfs/dbraw/zinc/27/81/55/324278155.db2.gz MZCAINJNCCGMFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980314 324278158 /nfs/dbraw/zinc/27/81/58/324278158.db2.gz MZCAINJNCCGMFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980314 324278159 /nfs/dbraw/zinc/27/81/59/324278159.db2.gz MZCAINJNCCGMFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980314 324278162 /nfs/dbraw/zinc/27/81/62/324278162.db2.gz MZCAINJNCCGMFH-DGCLKSJQSA-N 2 2 329.307 3.427 10 0 EGAELP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1c(Cl)cccc1Cl)C2 ZINC000315161944 456606581 /nfs/dbraw/zinc/60/65/81/456606581.db2.gz YTOSJNNFLODQIL-LRDDRELGSA-N 2 2 329.271 3.433 10 0 EGAELP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1c(Cl)cccc1Cl)C2 ZINC000315161944 456606593 /nfs/dbraw/zinc/60/65/93/456606593.db2.gz YTOSJNNFLODQIL-LRDDRELGSA-N 2 2 329.271 3.433 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868035 325030360 /nfs/dbraw/zinc/03/03/60/325030360.db2.gz MGHPJBHUBMXKRN-PXNSSMCTSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868035 325030364 /nfs/dbraw/zinc/03/03/64/325030364.db2.gz MGHPJBHUBMXKRN-PXNSSMCTSA-N 2 2 329.488 3.014 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000580902608 325307763 /nfs/dbraw/zinc/30/77/63/325307763.db2.gz LLUADVDREVTGHU-JCYILVPMSA-N 2 2 338.879 3.080 10 0 EGAELP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000581469300 325363727 /nfs/dbraw/zinc/36/37/27/325363727.db2.gz DFOYVEURCFUKTC-LLVKDONJSA-N 2 2 328.416 3.319 10 0 EGAELP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000581469300 325363730 /nfs/dbraw/zinc/36/37/30/325363730.db2.gz DFOYVEURCFUKTC-LLVKDONJSA-N 2 2 328.416 3.319 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984972 458853871 /nfs/dbraw/zinc/85/38/71/458853871.db2.gz CMSKCVIPBIINOH-UXIGCNINSA-N 2 2 328.287 3.112 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894296 455250994 /nfs/dbraw/zinc/25/09/94/455250994.db2.gz GFBUHDYTMKMPEE-LSDHHAIUSA-N 2 2 328.460 3.216 10 0 EGAELP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C[C@H]1C[NH3+] ZINC000631836685 460578283 /nfs/dbraw/zinc/57/82/83/460578283.db2.gz FAECFNYLSHUDAJ-VXGBXAGGSA-N 2 2 339.361 3.387 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C[C@H]1C[NH3+] ZINC000631836685 460578288 /nfs/dbraw/zinc/57/82/88/460578288.db2.gz FAECFNYLSHUDAJ-VXGBXAGGSA-N 2 2 339.361 3.387 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600744291 460588113 /nfs/dbraw/zinc/58/81/13/460588113.db2.gz MDLLYXVXTUABCQ-BGYRXZFFSA-N 2 2 342.439 3.041 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600744291 460588117 /nfs/dbraw/zinc/58/81/17/460588117.db2.gz MDLLYXVXTUABCQ-BGYRXZFFSA-N 2 2 342.439 3.041 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886415 460588808 /nfs/dbraw/zinc/58/88/08/460588808.db2.gz JRCRXQUAISHNFU-WFASDCNBSA-N 2 2 339.277 3.032 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886415 460588813 /nfs/dbraw/zinc/58/88/13/460588813.db2.gz JRCRXQUAISHNFU-WFASDCNBSA-N 2 2 339.277 3.032 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631888901 460589688 /nfs/dbraw/zinc/58/96/88/460589688.db2.gz CWNYMSPTOIFQRH-MAUKXSAKSA-N 2 2 343.496 3.393 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631888901 460589695 /nfs/dbraw/zinc/58/96/95/460589695.db2.gz CWNYMSPTOIFQRH-MAUKXSAKSA-N 2 2 343.496 3.393 10 0 EGAELP CCn1cc[nH+]c1CNc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000089310026 454135342 /nfs/dbraw/zinc/13/53/42/454135342.db2.gz PJZWLEKFVUKNPN-HOTGVXAUSA-N 2 2 328.460 3.124 10 0 EGAELP Brc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000095961074 454239031 /nfs/dbraw/zinc/23/90/31/454239031.db2.gz ILJLHSHKVOBISG-MRVWCRGKSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000095961074 454239037 /nfs/dbraw/zinc/23/90/37/454239037.db2.gz ILJLHSHKVOBISG-MRVWCRGKSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000095961074 454239041 /nfs/dbraw/zinc/23/90/41/454239041.db2.gz ILJLHSHKVOBISG-MRVWCRGKSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000095961074 454239046 /nfs/dbraw/zinc/23/90/46/454239046.db2.gz ILJLHSHKVOBISG-MRVWCRGKSA-N 2 2 341.318 3.427 10 0 EGAELP C[NH+]1CCC(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000073011661 454380366 /nfs/dbraw/zinc/38/03/66/454380366.db2.gz IHQQCQAEOSHSEM-UHFFFAOYSA-N 2 2 338.455 3.167 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200696 454423612 /nfs/dbraw/zinc/42/36/12/454423612.db2.gz CUUOJLKJZZIKQQ-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200696 454423618 /nfs/dbraw/zinc/42/36/18/454423618.db2.gz CUUOJLKJZZIKQQ-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092091325 454518739 /nfs/dbraw/zinc/51/87/39/454518739.db2.gz YCLGYPMLAUNDRR-SFHVURJKSA-N 2 2 333.520 3.219 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092091325 454518740 /nfs/dbraw/zinc/51/87/40/454518740.db2.gz YCLGYPMLAUNDRR-SFHVURJKSA-N 2 2 333.520 3.219 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000122917153 454582102 /nfs/dbraw/zinc/58/21/02/454582102.db2.gz CERWGIPZQVOJJC-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000122917153 454582105 /nfs/dbraw/zinc/58/21/05/454582105.db2.gz CERWGIPZQVOJJC-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000092813386 454640481 /nfs/dbraw/zinc/64/04/81/454640481.db2.gz FYGYZTYLBYQUOZ-MZNJEOGPSA-N 2 2 343.496 3.061 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000092813386 454640483 /nfs/dbraw/zinc/64/04/83/454640483.db2.gz FYGYZTYLBYQUOZ-MZNJEOGPSA-N 2 2 343.496 3.061 10 0 EGAELP c1nc(-c2cccnc2)sc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865812 454740592 /nfs/dbraw/zinc/74/05/92/454740592.db2.gz GSEZAGGASLZLCS-INIZCTEOSA-N 2 2 338.436 3.253 10 0 EGAELP c1nc(-c2cccnc2)sc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865812 454740597 /nfs/dbraw/zinc/74/05/97/454740597.db2.gz GSEZAGGASLZLCS-INIZCTEOSA-N 2 2 338.436 3.253 10 0 EGAELP Cc1cc(N(CC[NH+](C)C)Cc2ccco2)nc(-c2ccncc2)[nH+]1 ZINC000162225940 454760517 /nfs/dbraw/zinc/76/05/17/454760517.db2.gz OMKHMPZMDBPOTP-UHFFFAOYSA-N 2 2 337.427 3.008 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324653 454839497 /nfs/dbraw/zinc/83/94/97/454839497.db2.gz JZXWXYABTNMUPM-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324653 454839503 /nfs/dbraw/zinc/83/95/03/454839503.db2.gz JZXWXYABTNMUPM-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000163410086 454845822 /nfs/dbraw/zinc/84/58/22/454845822.db2.gz JONOLHZYHKFGCH-HOCLYGCPSA-N 2 2 338.517 3.179 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000163410086 454845828 /nfs/dbraw/zinc/84/58/28/454845828.db2.gz JONOLHZYHKFGCH-HOCLYGCPSA-N 2 2 338.517 3.179 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425859 454846424 /nfs/dbraw/zinc/84/64/24/454846424.db2.gz WFCBGJMPICCKRS-NVXWUHKLSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425859 454846427 /nfs/dbraw/zinc/84/64/27/454846427.db2.gz WFCBGJMPICCKRS-NVXWUHKLSA-N 2 2 342.430 3.440 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151710709 455020144 /nfs/dbraw/zinc/02/01/44/455020144.db2.gz WOTYZNUSYMHTLD-CVEARBPZSA-N 2 2 328.460 3.170 10 0 EGAELP Fc1ccc(-c2nc(CC[NH2+]Cc3cccc4[nH+]ccn43)co2)cc1 ZINC000179423865 455046548 /nfs/dbraw/zinc/04/65/48/455046548.db2.gz NSYJVRCDIQPABW-UHFFFAOYSA-N 2 2 336.370 3.461 10 0 EGAELP C[C@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156556592 455132568 /nfs/dbraw/zinc/13/25/68/455132568.db2.gz AISOOMKBOODSLT-RDJZCZTQSA-N 2 2 337.427 3.059 10 0 EGAELP C[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156556592 455132572 /nfs/dbraw/zinc/13/25/72/455132572.db2.gz AISOOMKBOODSLT-RDJZCZTQSA-N 2 2 337.427 3.059 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156569081 455133554 /nfs/dbraw/zinc/13/35/54/455133554.db2.gz FKXLUVMPFKAILF-YQVWRLOYSA-N 2 2 340.471 3.410 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156569081 455133558 /nfs/dbraw/zinc/13/35/58/455133558.db2.gz FKXLUVMPFKAILF-YQVWRLOYSA-N 2 2 340.471 3.410 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415100 455291482 /nfs/dbraw/zinc/29/14/82/455291482.db2.gz CZALYQBCNHFRBP-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415100 455291488 /nfs/dbraw/zinc/29/14/88/455291488.db2.gz CZALYQBCNHFRBP-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415100 455291490 /nfs/dbraw/zinc/29/14/90/455291490.db2.gz CZALYQBCNHFRBP-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415100 455291496 /nfs/dbraw/zinc/29/14/96/455291496.db2.gz CZALYQBCNHFRBP-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CCC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccn1 ZINC000180568943 455198932 /nfs/dbraw/zinc/19/89/32/455198932.db2.gz MUTWGGCNBQFHPL-HOTGVXAUSA-N 2 2 340.475 3.013 10 0 EGAELP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000245456693 455306089 /nfs/dbraw/zinc/30/60/89/455306089.db2.gz BNQQOSTUHJTZJX-LSDHHAIUSA-N 2 2 346.500 3.488 10 0 EGAELP CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000245456693 455306091 /nfs/dbraw/zinc/30/60/91/455306091.db2.gz BNQQOSTUHJTZJX-LSDHHAIUSA-N 2 2 346.500 3.488 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532561 455311062 /nfs/dbraw/zinc/31/10/62/455311062.db2.gz WYBFTGRDKOOBFM-RDJZCZTQSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532561 455311066 /nfs/dbraw/zinc/31/10/66/455311066.db2.gz WYBFTGRDKOOBFM-RDJZCZTQSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532561 455311070 /nfs/dbraw/zinc/31/10/70/455311070.db2.gz WYBFTGRDKOOBFM-RDJZCZTQSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@@H]21 ZINC000158532561 455311073 /nfs/dbraw/zinc/31/10/73/455311073.db2.gz WYBFTGRDKOOBFM-RDJZCZTQSA-N 2 2 329.419 3.397 10 0 EGAELP CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183689317 455321405 /nfs/dbraw/zinc/32/14/05/455321405.db2.gz LZAHNYDZOVCIBY-QWHCGFSZSA-N 2 2 341.415 3.122 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468168 455325688 /nfs/dbraw/zinc/32/56/88/455325688.db2.gz FQYBODFVGUHJDA-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468168 455325694 /nfs/dbraw/zinc/32/56/94/455325694.db2.gz FQYBODFVGUHJDA-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468168 455325700 /nfs/dbraw/zinc/32/57/00/455325700.db2.gz FQYBODFVGUHJDA-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468168 455325702 /nfs/dbraw/zinc/32/57/02/455325702.db2.gz FQYBODFVGUHJDA-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000245551629 455329639 /nfs/dbraw/zinc/32/96/39/455329639.db2.gz BPXATKAACMENMZ-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000245551629 455329640 /nfs/dbraw/zinc/32/96/40/455329640.db2.gz BPXATKAACMENMZ-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000245551629 455329641 /nfs/dbraw/zinc/32/96/41/455329641.db2.gz BPXATKAACMENMZ-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000245551629 455329642 /nfs/dbraw/zinc/32/96/42/455329642.db2.gz BPXATKAACMENMZ-MSOLQXFVSA-N 2 2 326.488 3.421 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488788 455330955 /nfs/dbraw/zinc/33/09/55/455330955.db2.gz WLXDPZRMMWYRNX-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488788 455330957 /nfs/dbraw/zinc/33/09/57/455330957.db2.gz WLXDPZRMMWYRNX-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488788 455330962 /nfs/dbraw/zinc/33/09/62/455330962.db2.gz WLXDPZRMMWYRNX-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488788 455330965 /nfs/dbraw/zinc/33/09/65/455330965.db2.gz WLXDPZRMMWYRNX-LJQANCHMSA-N 2 2 325.456 3.044 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605565 455339356 /nfs/dbraw/zinc/33/93/56/455339356.db2.gz NERDVHZHBKTPJG-CRAIPNDOSA-N 2 2 327.428 3.048 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605565 455339358 /nfs/dbraw/zinc/33/93/58/455339358.db2.gz NERDVHZHBKTPJG-CRAIPNDOSA-N 2 2 327.428 3.048 10 0 EGAELP Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000174141959 455363165 /nfs/dbraw/zinc/36/31/65/455363165.db2.gz JDQJPUGDEWWUTR-UHFFFAOYSA-N 2 2 344.503 3.067 10 0 EGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245746134 455371195 /nfs/dbraw/zinc/37/11/95/455371195.db2.gz YBSLUXCIRPFRAV-CJNGLKHVSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245746134 455371199 /nfs/dbraw/zinc/37/11/99/455371199.db2.gz YBSLUXCIRPFRAV-CJNGLKHVSA-N 2 2 346.862 3.367 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000266826818 455458676 /nfs/dbraw/zinc/45/86/76/455458676.db2.gz DAOOVHSFCYVKOE-MAUKXSAKSA-N 2 2 349.544 3.002 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000266826818 455458677 /nfs/dbraw/zinc/45/86/77/455458677.db2.gz DAOOVHSFCYVKOE-MAUKXSAKSA-N 2 2 349.544 3.002 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C ZINC000176106482 455541323 /nfs/dbraw/zinc/54/13/23/455541323.db2.gz KJBZSOMRTDSSLP-YOEHRIQHSA-N 2 2 341.459 3.034 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C ZINC000176106482 455541328 /nfs/dbraw/zinc/54/13/28/455541328.db2.gz KJBZSOMRTDSSLP-YOEHRIQHSA-N 2 2 341.459 3.034 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122987 455562539 /nfs/dbraw/zinc/56/25/39/455562539.db2.gz AMNIKKSRUVHDSA-VZHSDHNVSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000247122987 455562544 /nfs/dbraw/zinc/56/25/44/455562544.db2.gz AMNIKKSRUVHDSA-VZHSDHNVSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000247122987 455562549 /nfs/dbraw/zinc/56/25/49/455562549.db2.gz AMNIKKSRUVHDSA-VZHSDHNVSA-N 3 2 327.516 3.254 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668709 455592361 /nfs/dbraw/zinc/59/23/61/455592361.db2.gz GKOGURGXRVXWIK-ZFWWWQNUSA-N 2 2 336.501 3.277 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668709 455592363 /nfs/dbraw/zinc/59/23/63/455592363.db2.gz GKOGURGXRVXWIK-ZFWWWQNUSA-N 2 2 336.501 3.277 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247374257 455593200 /nfs/dbraw/zinc/59/32/00/455593200.db2.gz VBACHZJVOQYSCM-RHSMWYFYSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247374257 455593203 /nfs/dbraw/zinc/59/32/03/455593203.db2.gz VBACHZJVOQYSCM-RHSMWYFYSA-N 2 2 335.398 3.094 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230207 455602948 /nfs/dbraw/zinc/60/29/48/455602948.db2.gz VSRRYYWGCQVNOZ-OXJNMPFZSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230207 455602954 /nfs/dbraw/zinc/60/29/54/455602954.db2.gz VSRRYYWGCQVNOZ-OXJNMPFZSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292230207 455602958 /nfs/dbraw/zinc/60/29/58/455602958.db2.gz VSRRYYWGCQVNOZ-OXJNMPFZSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292230207 455602964 /nfs/dbraw/zinc/60/29/64/455602964.db2.gz VSRRYYWGCQVNOZ-OXJNMPFZSA-N 2 2 329.488 3.166 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201183 455698739 /nfs/dbraw/zinc/69/87/39/455698739.db2.gz YTYPGYVAAXCGLP-HYVNUMGLSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201183 455698743 /nfs/dbraw/zinc/69/87/43/455698743.db2.gz YTYPGYVAAXCGLP-HYVNUMGLSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201183 455698750 /nfs/dbraw/zinc/69/87/50/455698750.db2.gz YTYPGYVAAXCGLP-HYVNUMGLSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201183 455698756 /nfs/dbraw/zinc/69/87/56/455698756.db2.gz YTYPGYVAAXCGLP-HYVNUMGLSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201185 455698773 /nfs/dbraw/zinc/69/87/73/455698773.db2.gz YTYPGYVAAXCGLP-PVAVHDDUSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201185 455698778 /nfs/dbraw/zinc/69/87/78/455698778.db2.gz YTYPGYVAAXCGLP-PVAVHDDUSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201185 455698784 /nfs/dbraw/zinc/69/87/84/455698784.db2.gz YTYPGYVAAXCGLP-PVAVHDDUSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201185 455698790 /nfs/dbraw/zinc/69/87/90/455698790.db2.gz YTYPGYVAAXCGLP-PVAVHDDUSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248383496 455709861 /nfs/dbraw/zinc/70/98/61/455709861.db2.gz AHUHHVZJPHGUPQ-SJORKVTESA-N 2 2 334.479 3.332 10 0 EGAELP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248383496 455709865 /nfs/dbraw/zinc/70/98/65/455709865.db2.gz AHUHHVZJPHGUPQ-SJORKVTESA-N 2 2 334.479 3.332 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2oc3ccccc3c2C)CC1 ZINC000271830755 455778740 /nfs/dbraw/zinc/77/87/40/455778740.db2.gz QVHHASKSWPZIHA-UHFFFAOYSA-N 2 2 344.455 3.248 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000253554715 455853728 /nfs/dbraw/zinc/85/37/28/455853728.db2.gz CECSIGJLDCHXMA-HIFRSBDPSA-N 2 2 337.427 3.066 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000253554715 455853730 /nfs/dbraw/zinc/85/37/30/455853730.db2.gz CECSIGJLDCHXMA-HIFRSBDPSA-N 2 2 337.427 3.066 10 0 EGAELP Fc1ccc(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000261603467 455910784 /nfs/dbraw/zinc/91/07/84/455910784.db2.gz CRRZSDCRUKXUIP-INIZCTEOSA-N 2 2 348.853 3.413 10 0 EGAELP Fc1ccc(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000261603467 455910793 /nfs/dbraw/zinc/91/07/93/455910793.db2.gz CRRZSDCRUKXUIP-INIZCTEOSA-N 2 2 348.853 3.413 10 0 EGAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582958 460701408 /nfs/dbraw/zinc/70/14/08/460701408.db2.gz KBBDDUPJBABJSM-GASCZTMLSA-N 2 2 343.475 3.212 10 0 EGAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582958 460701416 /nfs/dbraw/zinc/70/14/16/460701416.db2.gz KBBDDUPJBABJSM-GASCZTMLSA-N 2 2 343.475 3.212 10 0 EGAELP CC(C)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCC(C)CC1 ZINC000606584014 460702897 /nfs/dbraw/zinc/70/28/97/460702897.db2.gz XIHYWVUZWDTKCT-QGZVFWFLSA-N 2 2 343.475 3.212 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc12 ZINC000195515951 455976254 /nfs/dbraw/zinc/97/62/54/455976254.db2.gz PEZOOEKSQADZEI-INIZCTEOSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc12 ZINC000195515951 455976257 /nfs/dbraw/zinc/97/62/57/455976257.db2.gz PEZOOEKSQADZEI-INIZCTEOSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)c(C)c1 ZINC000188944499 456178866 /nfs/dbraw/zinc/17/88/66/456178866.db2.gz FASFPRXIDSFOCK-SFHVURJKSA-N 2 2 348.450 3.155 10 0 EGAELP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]c(C2CC2)n1 ZINC000271276431 456200972 /nfs/dbraw/zinc/20/09/72/456200972.db2.gz BOOWHBYGONGFFD-UHFFFAOYSA-N 2 2 337.471 3.492 10 0 EGAELP c1[nH+]cn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000297560115 456252188 /nfs/dbraw/zinc/25/21/88/456252188.db2.gz QJAMWWWEXHWYKJ-UHFFFAOYSA-N 3 2 334.467 3.131 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000281971437 456378193 /nfs/dbraw/zinc/37/81/93/456378193.db2.gz GXPAGMPOBSTUQB-OAHLLOKOSA-N 2 2 326.444 3.003 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353109926 456495719 /nfs/dbraw/zinc/49/57/19/456495719.db2.gz HOEBXTXQCLSTHF-QGZVFWFLSA-N 2 2 337.423 3.183 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353109926 456495725 /nfs/dbraw/zinc/49/57/25/456495725.db2.gz HOEBXTXQCLSTHF-QGZVFWFLSA-N 2 2 337.423 3.183 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000657796804 462272477 /nfs/dbraw/zinc/27/24/77/462272477.db2.gz ICFBARWRHJSCFQ-IEBWSBKVSA-N 2 2 343.515 3.065 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000657796804 462272481 /nfs/dbraw/zinc/27/24/81/462272481.db2.gz ICFBARWRHJSCFQ-IEBWSBKVSA-N 2 2 343.515 3.065 10 0 EGAELP CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348254428 456574328 /nfs/dbraw/zinc/57/43/28/456574328.db2.gz DHCSHBJCSISLMA-HNNXBMFYSA-N 2 2 344.459 3.151 10 0 EGAELP CC(C)OCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348254428 456574333 /nfs/dbraw/zinc/57/43/33/456574333.db2.gz DHCSHBJCSISLMA-HNNXBMFYSA-N 2 2 344.459 3.151 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n2c1CCCC2 ZINC000282656711 456582702 /nfs/dbraw/zinc/58/27/02/456582702.db2.gz GLEDSXPUXISQFY-INIZCTEOSA-N 2 2 339.439 3.328 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)n2c1CCCC2 ZINC000282656711 456582706 /nfs/dbraw/zinc/58/27/06/456582706.db2.gz GLEDSXPUXISQFY-INIZCTEOSA-N 2 2 339.439 3.328 10 0 EGAELP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291562147 456681353 /nfs/dbraw/zinc/68/13/53/456681353.db2.gz VPGBBBPVRPFWQI-UHFFFAOYSA-N 2 2 341.459 3.006 10 0 EGAELP C[NH+](C)C1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338174636 456685170 /nfs/dbraw/zinc/68/51/70/456685170.db2.gz BXKICLYZBGZKMH-UHFFFAOYSA-N 2 2 325.412 3.040 10 0 EGAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccccn3)CC2)c[nH+]1 ZINC000328634100 456724178 /nfs/dbraw/zinc/72/41/78/456724178.db2.gz MMSOWJIFWVDKDR-INIZCTEOSA-N 2 2 325.460 3.009 10 0 EGAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccn3)CC2)c[nH+]1 ZINC000328634100 456724184 /nfs/dbraw/zinc/72/41/84/456724184.db2.gz MMSOWJIFWVDKDR-INIZCTEOSA-N 2 2 325.460 3.009 10 0 EGAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccn3)CC2)c[nH+]1 ZINC000328634101 456724317 /nfs/dbraw/zinc/72/43/17/456724317.db2.gz MMSOWJIFWVDKDR-MRXNPFEDSA-N 2 2 325.460 3.009 10 0 EGAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccn3)CC2)c[nH+]1 ZINC000328634101 456724318 /nfs/dbraw/zinc/72/43/18/456724318.db2.gz MMSOWJIFWVDKDR-MRXNPFEDSA-N 2 2 325.460 3.009 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052393 456841460 /nfs/dbraw/zinc/84/14/60/456841460.db2.gz BSVHLLLIYSSITC-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052393 456841464 /nfs/dbraw/zinc/84/14/64/456841464.db2.gz BSVHLLLIYSSITC-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292052393 456841469 /nfs/dbraw/zinc/84/14/69/456841469.db2.gz BSVHLLLIYSSITC-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292052393 456841472 /nfs/dbraw/zinc/84/14/72/456841472.db2.gz BSVHLLLIYSSITC-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Nc1[nH+]cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1Cl ZINC000277502692 456846201 /nfs/dbraw/zinc/84/62/01/456846201.db2.gz RJJQZOPQYBBRJP-GOOCMWNKSA-N 2 2 343.862 3.320 10 0 EGAELP Nc1[nH+]cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1Cl ZINC000277502692 456846203 /nfs/dbraw/zinc/84/62/03/456846203.db2.gz RJJQZOPQYBBRJP-GOOCMWNKSA-N 2 2 343.862 3.320 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292152095 456869958 /nfs/dbraw/zinc/86/99/58/456869958.db2.gz NQCZRIVUJLSKOH-KKSFZXQISA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292152095 456869963 /nfs/dbraw/zinc/86/99/63/456869963.db2.gz NQCZRIVUJLSKOH-KKSFZXQISA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292152095 456869964 /nfs/dbraw/zinc/86/99/64/456869964.db2.gz NQCZRIVUJLSKOH-KKSFZXQISA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292152095 456869969 /nfs/dbraw/zinc/86/99/69/456869969.db2.gz NQCZRIVUJLSKOH-KKSFZXQISA-N 2 2 343.515 3.339 10 0 EGAELP CCOc1c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744506 456884656 /nfs/dbraw/zinc/88/46/56/456884656.db2.gz GHGXVIZMMJREQV-RDJZCZTQSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744506 456884660 /nfs/dbraw/zinc/88/46/60/456884660.db2.gz GHGXVIZMMJREQV-RDJZCZTQSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744506 456884665 /nfs/dbraw/zinc/88/46/65/456884665.db2.gz GHGXVIZMMJREQV-RDJZCZTQSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744506 456884670 /nfs/dbraw/zinc/88/46/70/456884670.db2.gz GHGXVIZMMJREQV-RDJZCZTQSA-N 2 2 336.524 3.161 10 0 EGAELP Cc1nn2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745651 456885422 /nfs/dbraw/zinc/88/54/22/456885422.db2.gz KJCSWJXIKPKKLY-GXTWGEPZSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745651 456885426 /nfs/dbraw/zinc/88/54/26/456885426.db2.gz KJCSWJXIKPKKLY-GXTWGEPZSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745651 456885431 /nfs/dbraw/zinc/88/54/31/456885431.db2.gz KJCSWJXIKPKKLY-GXTWGEPZSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745651 456885435 /nfs/dbraw/zinc/88/54/35/456885435.db2.gz KJCSWJXIKPKKLY-GXTWGEPZSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1ccc(CCC[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c[nH+]1 ZINC000353833793 456928097 /nfs/dbraw/zinc/92/80/97/456928097.db2.gz GDCBSMWHRDKRTD-UHFFFAOYSA-N 2 2 326.366 3.207 10 0 EGAELP Cc1ccc(CCC[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c[nH+]1 ZINC000353833793 456928103 /nfs/dbraw/zinc/92/81/03/456928103.db2.gz GDCBSMWHRDKRTD-UHFFFAOYSA-N 2 2 326.366 3.207 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356051 456951291 /nfs/dbraw/zinc/95/12/91/456951291.db2.gz VHIVALNOETVCSB-KEWVYSCRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356051 456951296 /nfs/dbraw/zinc/95/12/96/456951296.db2.gz VHIVALNOETVCSB-KEWVYSCRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356051 456951301 /nfs/dbraw/zinc/95/13/01/456951301.db2.gz VHIVALNOETVCSB-KEWVYSCRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356051 456951303 /nfs/dbraw/zinc/95/13/03/456951303.db2.gz VHIVALNOETVCSB-KEWVYSCRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000353970792 456983315 /nfs/dbraw/zinc/98/33/15/456983315.db2.gz FMVQEGXMOXTEMZ-XBPNIJIESA-N 2 2 349.563 3.265 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000353970792 456983317 /nfs/dbraw/zinc/98/33/17/456983317.db2.gz FMVQEGXMOXTEMZ-XBPNIJIESA-N 2 2 349.563 3.265 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)C1CCCCC1 ZINC000353970791 456983462 /nfs/dbraw/zinc/98/34/62/456983462.db2.gz FMVQEGXMOXTEMZ-SVPXJYONSA-N 2 2 349.563 3.265 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H](C)C1CCCCC1 ZINC000353970791 456983465 /nfs/dbraw/zinc/98/34/65/456983465.db2.gz FMVQEGXMOXTEMZ-SVPXJYONSA-N 2 2 349.563 3.265 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000339269793 457031858 /nfs/dbraw/zinc/03/18/58/457031858.db2.gz LTFBCSRYEYODGB-GOSISDBHSA-N 2 2 334.423 3.246 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000339269793 457031867 /nfs/dbraw/zinc/03/18/67/457031867.db2.gz LTFBCSRYEYODGB-GOSISDBHSA-N 2 2 334.423 3.246 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000358986936 457044432 /nfs/dbraw/zinc/04/44/32/457044432.db2.gz ONYSQKIFSYMEFQ-CTNGQTDRSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000358986936 457044437 /nfs/dbraw/zinc/04/44/37/457044437.db2.gz ONYSQKIFSYMEFQ-CTNGQTDRSA-N 2 2 338.499 3.442 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438491 457120089 /nfs/dbraw/zinc/12/00/89/457120089.db2.gz OFNULLDAGFZETI-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438491 457120095 /nfs/dbraw/zinc/12/00/95/457120095.db2.gz OFNULLDAGFZETI-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438491 457120098 /nfs/dbraw/zinc/12/00/98/457120098.db2.gz OFNULLDAGFZETI-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000339438491 457120105 /nfs/dbraw/zinc/12/01/05/457120105.db2.gz OFNULLDAGFZETI-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP CC[N@H+](CCO)CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000342181332 457153717 /nfs/dbraw/zinc/15/37/17/457153717.db2.gz GYONFUGVSFURJI-KAMYIIQDSA-N 2 2 330.394 3.013 10 0 EGAELP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000342181332 457153725 /nfs/dbraw/zinc/15/37/25/457153725.db2.gz GYONFUGVSFURJI-KAMYIIQDSA-N 2 2 330.394 3.013 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000342299724 457222018 /nfs/dbraw/zinc/22/20/18/457222018.db2.gz BXJWXNLGOXZDDU-UTKZUKDTSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000342299724 457222025 /nfs/dbraw/zinc/22/20/25/457222025.db2.gz BXJWXNLGOXZDDU-UTKZUKDTSA-N 2 2 347.466 3.020 10 0 EGAELP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000373895643 457389835 /nfs/dbraw/zinc/38/98/35/457389835.db2.gz AVZUATWLJMODAY-OXJNMPFZSA-N 2 2 325.456 3.416 10 0 EGAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374211189 457523659 /nfs/dbraw/zinc/52/36/59/457523659.db2.gz JEYNXRMMEHAEIM-AWEZNQCLSA-N 2 2 342.443 3.015 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000352694821 457537422 /nfs/dbraw/zinc/53/74/22/457537422.db2.gz RIXBNIYBFOALSD-KRWDZBQOSA-N 2 2 332.488 3.489 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000352694821 457537424 /nfs/dbraw/zinc/53/74/24/457537424.db2.gz RIXBNIYBFOALSD-KRWDZBQOSA-N 2 2 332.488 3.489 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@H](C)[C@@H]3C)c2cc1C ZINC000409467363 457600494 /nfs/dbraw/zinc/60/04/94/457600494.db2.gz JQDGRBVBNPBSML-XFKAJCMBSA-N 2 2 329.488 3.380 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@H](C)[C@@H]3C)c2cc1C ZINC000409467363 457600499 /nfs/dbraw/zinc/60/04/99/457600499.db2.gz JQDGRBVBNPBSML-XFKAJCMBSA-N 2 2 329.488 3.380 10 0 EGAELP CC[N@H+](C[C@H](C)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374667606 457683607 /nfs/dbraw/zinc/68/36/07/457683607.db2.gz YDIZPZTVFOOJFO-INIZCTEOSA-N 2 2 334.508 3.234 10 0 EGAELP CC[N@@H+](C[C@H](C)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374667606 457683611 /nfs/dbraw/zinc/68/36/11/457683611.db2.gz YDIZPZTVFOOJFO-INIZCTEOSA-N 2 2 334.508 3.234 10 0 EGAELP COC(=O)[C@@]1(C)CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361309641 457688329 /nfs/dbraw/zinc/68/83/29/457688329.db2.gz PTFGMUPKOFEHMH-FQEVSTJZSA-N 2 2 343.471 3.400 10 0 EGAELP COC(=O)[C@@]1(C)CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361309641 457688330 /nfs/dbraw/zinc/68/83/30/457688330.db2.gz PTFGMUPKOFEHMH-FQEVSTJZSA-N 2 2 343.471 3.400 10 0 EGAELP COCC[C@]1([NH2+]CCCCCn2c(C)[nH+]c3ccccc32)CCOC1 ZINC000361373151 457710191 /nfs/dbraw/zinc/71/01/91/457710191.db2.gz ARWAENOHAFXXBZ-FQEVSTJZSA-N 2 2 345.487 3.300 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365264533 457734729 /nfs/dbraw/zinc/73/47/29/457734729.db2.gz GNYZKCDFUFUPJT-GOSISDBHSA-N 2 2 333.439 3.350 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365264533 457734731 /nfs/dbraw/zinc/73/47/31/457734731.db2.gz GNYZKCDFUFUPJT-GOSISDBHSA-N 2 2 333.439 3.350 10 0 EGAELP C[C@H](O)CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000411506793 457905146 /nfs/dbraw/zinc/90/51/46/457905146.db2.gz HZCKJPCUNMNQHH-GUYCJALGSA-N 2 2 326.431 3.241 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H](C)C1 ZINC000358311333 457926614 /nfs/dbraw/zinc/92/66/14/457926614.db2.gz YTULHUUUEPLSKX-XLIONFOSSA-N 2 2 348.535 3.225 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H](C)C1 ZINC000358311333 457926618 /nfs/dbraw/zinc/92/66/18/457926618.db2.gz YTULHUUUEPLSKX-XLIONFOSSA-N 2 2 348.535 3.225 10 0 EGAELP CCOc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1F ZINC000376043057 458174249 /nfs/dbraw/zinc/17/42/49/458174249.db2.gz ONVSZHALWHYAHE-UHFFFAOYSA-N 2 2 326.375 3.095 10 0 EGAELP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000362509775 458231321 /nfs/dbraw/zinc/23/13/21/458231321.db2.gz YDMSXAMXDXNTEK-MRXNPFEDSA-N 2 2 325.412 3.040 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c1)O[C@@H](C)C2 ZINC000376493395 458316857 /nfs/dbraw/zinc/31/68/57/458316857.db2.gz VWHYGVIAHLCWBO-ZDUSSCGKSA-N 2 2 327.428 3.121 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000459377542 458351251 /nfs/dbraw/zinc/35/12/51/458351251.db2.gz XZWBHUXWABNOFK-CQSZACIVSA-N 2 2 340.254 3.423 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000459377542 458351254 /nfs/dbraw/zinc/35/12/54/458351254.db2.gz XZWBHUXWABNOFK-CQSZACIVSA-N 2 2 340.254 3.423 10 0 EGAELP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000447926633 458366870 /nfs/dbraw/zinc/36/68/70/458366870.db2.gz BSXCGKOERAAROD-UHFFFAOYSA-N 2 2 331.423 3.320 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423573186 458458398 /nfs/dbraw/zinc/45/83/98/458458398.db2.gz ZDJXQGCYFOHIAU-IINYFYTJSA-N 2 2 327.241 3.307 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@H](C)O2 ZINC000430767756 458489478 /nfs/dbraw/zinc/48/94/78/458489478.db2.gz NOZUYUTWPZGYHU-RVKKMQEKSA-N 2 2 347.484 3.092 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@H](C)O2 ZINC000430767756 458489483 /nfs/dbraw/zinc/48/94/83/458489483.db2.gz NOZUYUTWPZGYHU-RVKKMQEKSA-N 2 2 347.484 3.092 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@@H](C)O2 ZINC000430767755 458490031 /nfs/dbraw/zinc/49/00/31/458490031.db2.gz NOZUYUTWPZGYHU-RKVPGOIHSA-N 2 2 347.484 3.092 10 0 EGAELP C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@@H](C)O2 ZINC000430767755 458490034 /nfs/dbraw/zinc/49/00/34/458490034.db2.gz NOZUYUTWPZGYHU-RKVPGOIHSA-N 2 2 347.484 3.092 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000424136781 458567978 /nfs/dbraw/zinc/56/79/78/458567978.db2.gz BFMCVMLCPDEHSF-MRXNPFEDSA-N 2 2 346.862 3.403 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241340 458728061 /nfs/dbraw/zinc/72/80/61/458728061.db2.gz CEHPTZKWIAGLDP-DLBZAZTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241340 458728064 /nfs/dbraw/zinc/72/80/64/458728064.db2.gz CEHPTZKWIAGLDP-DLBZAZTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000530244345 458729304 /nfs/dbraw/zinc/72/93/04/458729304.db2.gz ODHBMWRBSUPERH-DLBZAZTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000530244345 458729310 /nfs/dbraw/zinc/72/93/10/458729310.db2.gz ODHBMWRBSUPERH-DLBZAZTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244757 458729396 /nfs/dbraw/zinc/72/93/96/458729396.db2.gz PWUNEEONQZPHIA-YOEHRIQHSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1Cl ZINC000530244757 458729398 /nfs/dbraw/zinc/72/93/98/458729398.db2.gz PWUNEEONQZPHIA-YOEHRIQHSA-N 2 2 326.843 3.119 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000440334746 458806417 /nfs/dbraw/zinc/80/64/17/458806417.db2.gz HELMNRBDEBDULX-UHFFFAOYSA-N 2 2 335.436 3.185 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984972 458853868 /nfs/dbraw/zinc/85/38/68/458853868.db2.gz CMSKCVIPBIINOH-UXIGCNINSA-N 2 2 328.287 3.112 10 0 EGAELP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000474938855 458908411 /nfs/dbraw/zinc/90/84/11/458908411.db2.gz AEOJPFJTPUUOTP-IRXDYDNUSA-N 2 2 332.488 3.437 10 0 EGAELP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000474938855 458908421 /nfs/dbraw/zinc/90/84/21/458908421.db2.gz AEOJPFJTPUUOTP-IRXDYDNUSA-N 2 2 332.488 3.437 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1OCc1ccncc1)C2 ZINC000576866582 458936634 /nfs/dbraw/zinc/93/66/34/458936634.db2.gz DFZBJIREKWCWQE-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1OCc1ccncc1)CC2 ZINC000576866582 458936638 /nfs/dbraw/zinc/93/66/38/458936638.db2.gz DFZBJIREKWCWQE-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000519424044 458947899 /nfs/dbraw/zinc/94/78/99/458947899.db2.gz SMPMTTHFFDSTOJ-UHFFFAOYSA-N 2 2 346.906 3.387 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200824 459046332 /nfs/dbraw/zinc/04/63/32/459046332.db2.gz CEQJZAFNBIRDLB-UWJYYQICSA-N 2 2 335.495 3.289 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200824 459046337 /nfs/dbraw/zinc/04/63/37/459046337.db2.gz CEQJZAFNBIRDLB-UWJYYQICSA-N 2 2 335.495 3.289 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443003462 459074214 /nfs/dbraw/zinc/07/42/14/459074214.db2.gz VZXZGOJAMAUBCU-INIZCTEOSA-N 2 2 330.394 3.214 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443003462 459074218 /nfs/dbraw/zinc/07/42/18/459074218.db2.gz VZXZGOJAMAUBCU-INIZCTEOSA-N 2 2 330.394 3.214 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448159 459089852 /nfs/dbraw/zinc/08/98/52/459089852.db2.gz NEEQYKNDTQWHHN-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448159 459089864 /nfs/dbraw/zinc/08/98/64/459089864.db2.gz NEEQYKNDTQWHHN-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP COC(=O)c1cc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)c(C)o1 ZINC000594599354 459104690 /nfs/dbraw/zinc/10/46/90/459104690.db2.gz DXXPFIKHTMTYOB-UHFFFAOYSA-N 2 2 341.411 3.213 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591081366 459307979 /nfs/dbraw/zinc/30/79/79/459307979.db2.gz AENVWUUKLKBIIY-IRXDYDNUSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591081366 459307984 /nfs/dbraw/zinc/30/79/84/459307984.db2.gz AENVWUUKLKBIIY-IRXDYDNUSA-N 2 2 326.444 3.164 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000582127304 459313823 /nfs/dbraw/zinc/31/38/23/459313823.db2.gz PMCMJLYGVISWDS-LOTPSLMQSA-N 2 2 336.520 3.208 10 0 EGAELP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000582423515 459362416 /nfs/dbraw/zinc/36/24/16/459362416.db2.gz BBHXNGYQPJLEBD-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000582423515 459362419 /nfs/dbraw/zinc/36/24/19/459362419.db2.gz BBHXNGYQPJLEBD-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423515 459362426 /nfs/dbraw/zinc/36/24/26/459362426.db2.gz BBHXNGYQPJLEBD-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423515 459362430 /nfs/dbraw/zinc/36/24/30/459362430.db2.gz BBHXNGYQPJLEBD-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP C[NH+](C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000569017704 459382851 /nfs/dbraw/zinc/38/28/51/459382851.db2.gz UZAQASCQTOZSPN-KRWDZBQOSA-N 2 2 346.862 3.072 10 0 EGAELP C[NH+](C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000569017704 459382858 /nfs/dbraw/zinc/38/28/58/459382858.db2.gz UZAQASCQTOZSPN-KRWDZBQOSA-N 2 2 346.862 3.072 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000525361330 459449563 /nfs/dbraw/zinc/44/95/63/459449563.db2.gz PPEXFNGHMQITNG-CQSZACIVSA-N 2 2 345.878 3.079 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907642 459479446 /nfs/dbraw/zinc/47/94/46/459479446.db2.gz IFPYGWPATRKANM-QZTJIDSGSA-N 2 2 343.471 3.083 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907642 459479451 /nfs/dbraw/zinc/47/94/51/459479451.db2.gz IFPYGWPATRKANM-QZTJIDSGSA-N 2 2 343.471 3.083 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000583554497 459558268 /nfs/dbraw/zinc/55/82/68/459558268.db2.gz GBYNDPIUFLGKOE-INIZCTEOSA-N 2 2 347.507 3.191 10 0 EGAELP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000572842618 459584053 /nfs/dbraw/zinc/58/40/53/459584053.db2.gz NZOKPNNWDLZYMF-DNVCBOLYSA-N 2 2 326.444 3.182 10 0 EGAELP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000572842618 459584059 /nfs/dbraw/zinc/58/40/59/459584059.db2.gz NZOKPNNWDLZYMF-DNVCBOLYSA-N 2 2 326.444 3.182 10 0 EGAELP C[C@@H]([C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000543086283 459623177 /nfs/dbraw/zinc/62/31/77/459623177.db2.gz AZUUCXLWVPIZRR-BQFCYCMXSA-N 2 2 346.519 3.106 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000543393426 459652458 /nfs/dbraw/zinc/65/24/58/459652458.db2.gz CTFWPHWGAJFQAC-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000543393426 459652463 /nfs/dbraw/zinc/65/24/63/459652463.db2.gz CTFWPHWGAJFQAC-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(C(F)(F)F)c1 ZINC000527708644 459709559 /nfs/dbraw/zinc/70/95/59/459709559.db2.gz DAQPQTBLUNMUKK-GFCCVEGCSA-N 2 2 325.334 3.084 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000527708644 459709563 /nfs/dbraw/zinc/70/95/63/459709563.db2.gz DAQPQTBLUNMUKK-GFCCVEGCSA-N 2 2 325.334 3.084 10 0 EGAELP c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527751709 459724558 /nfs/dbraw/zinc/72/45/58/459724558.db2.gz KPRBCXXRNTZQMW-FQEVSTJZSA-N 2 2 343.515 3.020 10 0 EGAELP c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527751709 459724562 /nfs/dbraw/zinc/72/45/62/459724562.db2.gz KPRBCXXRNTZQMW-FQEVSTJZSA-N 2 2 343.515 3.020 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000527951881 459781384 /nfs/dbraw/zinc/78/13/84/459781384.db2.gz RUXPURKSWSFCQK-FMKFIRIRSA-N 2 2 334.529 3.482 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000527951881 459781387 /nfs/dbraw/zinc/78/13/87/459781387.db2.gz RUXPURKSWSFCQK-FMKFIRIRSA-N 2 2 334.529 3.482 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C(=O)OC(C)(C)C ZINC000574158187 459785774 /nfs/dbraw/zinc/78/57/74/459785774.db2.gz LZFCTEYRXLHUQG-ZBFHGGJFSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C(=O)OC(C)(C)C ZINC000574158187 459785776 /nfs/dbraw/zinc/78/57/76/459785776.db2.gz LZFCTEYRXLHUQG-ZBFHGGJFSA-N 2 2 329.444 3.134 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528010117 459795853 /nfs/dbraw/zinc/79/58/53/459795853.db2.gz IJALSSNXIVCUKA-YJBOKZPZSA-N 2 2 332.488 3.241 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000528010117 459795857 /nfs/dbraw/zinc/79/58/57/459795857.db2.gz IJALSSNXIVCUKA-YJBOKZPZSA-N 2 2 332.488 3.241 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692259 459952475 /nfs/dbraw/zinc/95/24/75/459952475.db2.gz WTDHVZKNHSOBJH-RNJTYBCJSA-N 2 2 330.472 3.096 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692259 459952479 /nfs/dbraw/zinc/95/24/79/459952479.db2.gz WTDHVZKNHSOBJH-RNJTYBCJSA-N 2 2 330.472 3.096 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)o1 ZINC000588857693 459992652 /nfs/dbraw/zinc/99/26/52/459992652.db2.gz IXHIVTMZVVBNGA-UHFFFAOYSA-N 2 2 326.400 3.330 10 0 EGAELP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n(CCc2ccccc2)n1 ZINC000621717441 460021491 /nfs/dbraw/zinc/02/14/91/460021491.db2.gz DRRAEZQKBHDWBD-HXUWFJFHSA-N 2 2 338.499 3.044 10 0 EGAELP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n(CCc2ccccc2)n1 ZINC000621717441 460021496 /nfs/dbraw/zinc/02/14/96/460021496.db2.gz DRRAEZQKBHDWBD-HXUWFJFHSA-N 2 2 338.499 3.044 10 0 EGAELP CCOC(=O)[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCCC1 ZINC000594045974 460071814 /nfs/dbraw/zinc/07/18/14/460071814.db2.gz BJTKCBUUWRQXHM-GOSISDBHSA-N 2 2 335.492 3.463 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000598974071 460111308 /nfs/dbraw/zinc/11/13/08/460111308.db2.gz LRADZWKMAVQDNA-NSHDSACASA-N 2 2 333.457 3.074 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000598974071 460111315 /nfs/dbraw/zinc/11/13/15/460111315.db2.gz LRADZWKMAVQDNA-NSHDSACASA-N 2 2 333.457 3.074 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682394 460192224 /nfs/dbraw/zinc/19/22/24/460192224.db2.gz LOHQRQLOIKHSSJ-QUCCMNQESA-N 3 2 326.488 3.164 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682394 460192230 /nfs/dbraw/zinc/19/22/30/460192230.db2.gz LOHQRQLOIKHSSJ-QUCCMNQESA-N 3 2 326.488 3.164 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777460 460261310 /nfs/dbraw/zinc/26/13/10/460261310.db2.gz FQBYKUDPQQKYIJ-ZCNNSNEGSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777460 460261313 /nfs/dbraw/zinc/26/13/13/460261313.db2.gz FQBYKUDPQQKYIJ-ZCNNSNEGSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777460 460261318 /nfs/dbraw/zinc/26/13/18/460261318.db2.gz FQBYKUDPQQKYIJ-ZCNNSNEGSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777460 460261321 /nfs/dbraw/zinc/26/13/21/460261321.db2.gz FQBYKUDPQQKYIJ-ZCNNSNEGSA-N 2 2 346.540 3.247 10 0 EGAELP CCOC(=O)CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000610996078 460275466 /nfs/dbraw/zinc/27/54/66/460275466.db2.gz PHENPMKCZCOOBS-UHFFFAOYSA-N 2 2 341.455 3.428 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000625876642 460290078 /nfs/dbraw/zinc/29/00/78/460290078.db2.gz WXBXKVUTRIUDGF-HRCADAONSA-N 2 2 345.491 3.031 10 0 EGAELP COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000599699176 460315745 /nfs/dbraw/zinc/31/57/45/460315745.db2.gz XFCIKLYUUUJWRW-SCAQPMJSSA-N 2 2 327.428 3.034 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000626087484 460366404 /nfs/dbraw/zinc/36/64/04/460366404.db2.gz PMZFQWZTQNVYMT-OALUTQOASA-N 2 2 338.536 3.159 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000628476312 460430657 /nfs/dbraw/zinc/43/06/57/460430657.db2.gz VEQMTRPCEKAYGQ-ARJAWSKDSA-N 2 2 332.463 3.416 10 0 EGAELP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000631658351 460492861 /nfs/dbraw/zinc/49/28/61/460492861.db2.gz FUHQBAYCPFLYBO-QGZVFWFLSA-N 2 2 342.405 3.203 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@@H+]1C ZINC000623430446 460544841 /nfs/dbraw/zinc/54/48/41/460544841.db2.gz QDYYTBLCWMVUFN-DGCLKSJQSA-N 2 2 334.357 3.339 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@H+]1C ZINC000623430446 460544845 /nfs/dbraw/zinc/54/48/45/460544845.db2.gz QDYYTBLCWMVUFN-DGCLKSJQSA-N 2 2 334.357 3.339 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Nc1cccc(Cl)c1 ZINC000629600918 460823363 /nfs/dbraw/zinc/82/33/63/460823363.db2.gz DUXMJASYFAUHTD-QGZVFWFLSA-N 2 2 335.879 3.275 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Nc1cccc(Cl)c1 ZINC000629600918 460823368 /nfs/dbraw/zinc/82/33/68/460823368.db2.gz DUXMJASYFAUHTD-QGZVFWFLSA-N 2 2 335.879 3.275 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624078701 460849838 /nfs/dbraw/zinc/84/98/38/460849838.db2.gz QYJAFLDJULIGOU-NVXWUHKLSA-N 2 2 340.389 3.137 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@H]1C(F)(F)F ZINC000629656404 460850849 /nfs/dbraw/zinc/85/08/49/460850849.db2.gz OGTVGKVRALZTBQ-UKRRQHHQSA-N 2 2 338.377 3.036 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@H]1C(F)(F)F ZINC000629656404 460850856 /nfs/dbraw/zinc/85/08/56/460850856.db2.gz OGTVGKVRALZTBQ-UKRRQHHQSA-N 2 2 338.377 3.036 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[NH2+]1 ZINC000629659465 460852282 /nfs/dbraw/zinc/85/22/82/460852282.db2.gz AICLDFTYMMELEX-VQIMIIECSA-N 2 2 347.466 3.164 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000629660264 460853678 /nfs/dbraw/zinc/85/36/78/460853678.db2.gz QVZZRFJUXKYDKM-NHYWBVRUSA-N 2 2 338.377 3.326 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629671777 460860171 /nfs/dbraw/zinc/86/01/71/460860171.db2.gz GTEXZHBCKJMOQO-SCLBCKFNSA-N 2 2 332.879 3.042 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123183 460873020 /nfs/dbraw/zinc/87/30/20/460873020.db2.gz HJHXRFBMWYSSGH-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123183 460873025 /nfs/dbraw/zinc/87/30/25/460873025.db2.gz HJHXRFBMWYSSGH-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000608494904 461074792 /nfs/dbraw/zinc/07/47/92/461074792.db2.gz BZDJAUZSBQMXKE-SFHVURJKSA-N 2 2 325.391 3.045 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000608494904 461074794 /nfs/dbraw/zinc/07/47/94/461074794.db2.gz BZDJAUZSBQMXKE-SFHVURJKSA-N 2 2 325.391 3.045 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000662321090 461189078 /nfs/dbraw/zinc/18/90/78/461189078.db2.gz GSCGFUXVMILLMC-MRXNPFEDSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000662321090 461189087 /nfs/dbraw/zinc/18/90/87/461189087.db2.gz GSCGFUXVMILLMC-MRXNPFEDSA-N 2 2 347.890 3.431 10 0 EGAELP COc1ccc(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)nc1 ZINC000668281060 461224025 /nfs/dbraw/zinc/22/40/25/461224025.db2.gz LKZGMGMYXHCSPP-UHFFFAOYSA-N 2 2 349.438 3.051 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H](n4cc[nH+]c4)C3)c21 ZINC000642116076 461450692 /nfs/dbraw/zinc/45/06/92/461450692.db2.gz CLOULTAIFXDPPP-CYBMUJFWSA-N 2 2 336.374 3.288 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@](C)(C(F)F)O1 ZINC000668822753 461452988 /nfs/dbraw/zinc/45/29/88/461452988.db2.gz ZWQBQULMIPWAJM-ABAIWWIYSA-N 2 2 327.400 3.178 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@](C)(C(F)F)O1 ZINC000668822753 461452991 /nfs/dbraw/zinc/45/29/91/461452991.db2.gz ZWQBQULMIPWAJM-ABAIWWIYSA-N 2 2 327.400 3.178 10 0 EGAELP FC(F)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000631046001 461498597 /nfs/dbraw/zinc/49/85/97/461498597.db2.gz YAJABQFPWUNMGF-UHFFFAOYSA-N 2 2 332.398 3.168 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000647171292 461541412 /nfs/dbraw/zinc/54/14/12/461541412.db2.gz DZMOJNOZZWVVTK-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000647171292 461541420 /nfs/dbraw/zinc/54/14/20/461541420.db2.gz DZMOJNOZZWVVTK-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP CCn1c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)nc2ccccc21 ZINC000647262557 461596861 /nfs/dbraw/zinc/59/68/61/461596861.db2.gz CSZVGXHBGKLNOZ-UHFFFAOYSA-N 2 2 333.439 3.345 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000656141599 461619601 /nfs/dbraw/zinc/61/96/01/461619601.db2.gz XCMVBXORFHKJEO-RHSMWYFYSA-N 2 2 326.444 3.116 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000656141599 461619612 /nfs/dbraw/zinc/61/96/12/461619612.db2.gz XCMVBXORFHKJEO-RHSMWYFYSA-N 2 2 326.444 3.116 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000643377733 461713080 /nfs/dbraw/zinc/71/30/80/461713080.db2.gz WNVQSPMLRKDREL-KRWDZBQOSA-N 2 2 338.459 3.054 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000643377733 461713085 /nfs/dbraw/zinc/71/30/85/461713085.db2.gz WNVQSPMLRKDREL-KRWDZBQOSA-N 2 2 338.459 3.054 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482607 461730582 /nfs/dbraw/zinc/73/05/82/461730582.db2.gz SISMDNLLMUBROH-UHFFFAOYSA-N 2 2 339.277 3.174 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482607 461730588 /nfs/dbraw/zinc/73/05/88/461730588.db2.gz SISMDNLLMUBROH-UHFFFAOYSA-N 2 2 339.277 3.174 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402269 461734684 /nfs/dbraw/zinc/73/46/84/461734684.db2.gz MMLPSBCTMYIUBW-MANSERQUSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402269 461734690 /nfs/dbraw/zinc/73/46/90/461734690.db2.gz MMLPSBCTMYIUBW-MANSERQUSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402269 461734695 /nfs/dbraw/zinc/73/46/95/461734695.db2.gz MMLPSBCTMYIUBW-MANSERQUSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402269 461734702 /nfs/dbraw/zinc/73/47/02/461734702.db2.gz MMLPSBCTMYIUBW-MANSERQUSA-N 2 2 339.508 3.486 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)[nH]1 ZINC000669694697 461767883 /nfs/dbraw/zinc/76/78/83/461767883.db2.gz ZONCBTXQZCBHBX-INIZCTEOSA-N 2 2 340.471 3.227 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)[nH]1 ZINC000669694697 461767890 /nfs/dbraw/zinc/76/78/90/461767890.db2.gz ZONCBTXQZCBHBX-INIZCTEOSA-N 2 2 340.471 3.227 10 0 EGAELP Cc1oc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1C ZINC000666756204 461790424 /nfs/dbraw/zinc/79/04/24/461790424.db2.gz PJYMSGFMQQLQNT-UHFFFAOYSA-N 2 2 346.475 3.055 10 0 EGAELP Cc1oc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1C ZINC000666756204 461790429 /nfs/dbraw/zinc/79/04/29/461790429.db2.gz PJYMSGFMQQLQNT-UHFFFAOYSA-N 2 2 346.475 3.055 10 0 EGAELP Cc1nocc1C[NH+]1CCCC2(CCC[N@@H+](Cc3conc3C)C2)C1 ZINC000660566765 461858126 /nfs/dbraw/zinc/85/81/26/461858126.db2.gz RKWXCTHTOVDTGO-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP Cc1nocc1C[NH+]1CCCC2(CCC[N@H+](Cc3conc3C)C2)C1 ZINC000660566765 461858134 /nfs/dbraw/zinc/85/81/34/461858134.db2.gz RKWXCTHTOVDTGO-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900848 461876608 /nfs/dbraw/zinc/87/66/08/461876608.db2.gz FWWBEPDORXQKNX-HDMKZQKVSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900848 461876614 /nfs/dbraw/zinc/87/66/14/461876614.db2.gz FWWBEPDORXQKNX-HDMKZQKVSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900847 461877074 /nfs/dbraw/zinc/87/70/74/461877074.db2.gz FWWBEPDORXQKNX-DAYGRLMNSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900847 461877077 /nfs/dbraw/zinc/87/70/77/461877077.db2.gz FWWBEPDORXQKNX-DAYGRLMNSA-N 2 2 347.528 3.200 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901374 461877276 /nfs/dbraw/zinc/87/72/76/461877276.db2.gz NGZRDXMNSFQSHZ-ZCNNSNEGSA-N 2 2 343.515 3.060 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901374 461877287 /nfs/dbraw/zinc/87/72/87/461877287.db2.gz NGZRDXMNSFQSHZ-ZCNNSNEGSA-N 2 2 343.515 3.060 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956684 461908551 /nfs/dbraw/zinc/90/85/51/461908551.db2.gz WMOQHIKXCDSUKJ-IEBWSBKVSA-N 2 2 349.544 3.027 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956684 461908555 /nfs/dbraw/zinc/90/85/55/461908555.db2.gz WMOQHIKXCDSUKJ-IEBWSBKVSA-N 2 2 349.544 3.027 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCO2 ZINC000657327052 462048462 /nfs/dbraw/zinc/04/84/62/462048462.db2.gz YEZFYHJBMFELDB-AWEZNQCLSA-N 2 2 348.244 3.205 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000644832746 462096937 /nfs/dbraw/zinc/09/69/37/462096937.db2.gz SZVXYZPLETVPTG-QGZVFWFLSA-N 2 2 349.438 3.186 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000644832746 462096943 /nfs/dbraw/zinc/09/69/43/462096943.db2.gz SZVXYZPLETVPTG-QGZVFWFLSA-N 2 2 349.438 3.186 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1OC(F)F ZINC000657524751 462167896 /nfs/dbraw/zinc/16/78/96/462167896.db2.gz QUPYQGWLKFDSOE-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1OC(F)F ZINC000657524751 462167901 /nfs/dbraw/zinc/16/79/01/462167901.db2.gz QUPYQGWLKFDSOE-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(OC)c1 ZINC000657613600 462204406 /nfs/dbraw/zinc/20/44/06/462204406.db2.gz WVXWKTXLRXRNRG-SFHVURJKSA-N 2 2 343.452 3.420 10 0 EGAELP CCC1(CC)CCC([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000651759639 462328789 /nfs/dbraw/zinc/32/87/89/462328789.db2.gz YLNFCBSPEPMYHD-QGZVFWFLSA-N 2 2 346.519 3.250 10 0 EGAELP Cc1cccn2c(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c[nH+]c12 ZINC000667951889 462341692 /nfs/dbraw/zinc/34/16/92/462341692.db2.gz NIEVUJXERVRTMO-UHFFFAOYSA-N 2 2 341.459 3.171 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000658002030 462342567 /nfs/dbraw/zinc/34/25/67/462342567.db2.gz FYZNDZVNZGIYQG-AZUAARDMSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000658002030 462342572 /nfs/dbraw/zinc/34/25/72/462342572.db2.gz FYZNDZVNZGIYQG-AZUAARDMSA-N 2 2 338.536 3.205 10 0 EGAELP Cc1cccn2c(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)c[nH+]c12 ZINC000667954558 462343314 /nfs/dbraw/zinc/34/33/14/462343314.db2.gz BGVHMNSNAADGHM-OAHLLOKOSA-N 2 2 329.448 3.029 10 0 EGAELP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277665 462381463 /nfs/dbraw/zinc/38/14/63/462381463.db2.gz HQRFDZWKOPZWCJ-WMEQCIOUSA-N 2 2 337.261 3.004 10 0 EGAELP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277961 462381823 /nfs/dbraw/zinc/38/18/23/462381823.db2.gz QTFPQFBQLUXIOB-WMEQCIOUSA-N 2 2 337.261 3.004 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651928762 462381768 /nfs/dbraw/zinc/38/17/68/462381768.db2.gz SIGWMVQUMIJRAY-MRXNPFEDSA-N 2 2 334.426 3.198 10 0 EGAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299092 462390423 /nfs/dbraw/zinc/39/04/23/462390423.db2.gz GCOIIYXJINVZCT-FFZOFVMBSA-N 2 2 346.478 3.408 10 0 EGAELP CC[N@H+](CCC[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000645811041 462434225 /nfs/dbraw/zinc/43/42/25/462434225.db2.gz SGPPEJNWGJUMNH-IBGZPJMESA-N 2 2 331.504 3.437 10 0 EGAELP CC[N@@H+](CCC[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000645811041 462434227 /nfs/dbraw/zinc/43/42/27/462434227.db2.gz SGPPEJNWGJUMNH-IBGZPJMESA-N 2 2 331.504 3.437 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000652199794 462469571 /nfs/dbraw/zinc/46/95/71/462469571.db2.gz CLUWELPMNRKULE-YWZLYKJASA-N 2 2 334.423 3.050 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccn2)cc1 ZINC000652199794 462469577 /nfs/dbraw/zinc/46/95/77/462469577.db2.gz CLUWELPMNRKULE-YWZLYKJASA-N 2 2 334.423 3.050 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203257 462470209 /nfs/dbraw/zinc/47/02/09/462470209.db2.gz GLOXOKGRGGAHBX-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203257 462470214 /nfs/dbraw/zinc/47/02/14/462470214.db2.gz GLOXOKGRGGAHBX-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658340373 462482189 /nfs/dbraw/zinc/48/21/89/462482189.db2.gz XZQWFNCQLZJCLH-MRXNPFEDSA-N 2 2 340.471 3.349 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000646026355 462499402 /nfs/dbraw/zinc/49/94/02/462499402.db2.gz KSMHBGJFNRFFFQ-SFHVURJKSA-N 2 2 342.458 3.287 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000646026355 462499404 /nfs/dbraw/zinc/49/94/04/462499404.db2.gz KSMHBGJFNRFFFQ-SFHVURJKSA-N 2 2 342.458 3.287 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415018 462503021 /nfs/dbraw/zinc/50/30/21/462503021.db2.gz FGKRCUBWSLXGEH-GDBMZVCRSA-N 2 2 330.451 3.159 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415018 462503025 /nfs/dbraw/zinc/50/30/25/462503025.db2.gz FGKRCUBWSLXGEH-GDBMZVCRSA-N 2 2 330.451 3.159 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662093380 462523518 /nfs/dbraw/zinc/52/35/18/462523518.db2.gz RIMHMEAMBDBDBT-UHFFFAOYSA-N 2 2 335.407 3.281 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662093380 462523519 /nfs/dbraw/zinc/52/35/19/462523519.db2.gz RIMHMEAMBDBDBT-UHFFFAOYSA-N 2 2 335.407 3.281 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175052901 533727787 /nfs/dbraw/zinc/72/77/87/533727787.db2.gz NSRVEDZMLQYKRS-NCOADZHNSA-N 2 2 340.471 3.311 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780860 527755440 /nfs/dbraw/zinc/75/54/40/527755440.db2.gz CZALYQBCNHFRBP-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780860 527755443 /nfs/dbraw/zinc/75/54/43/527755443.db2.gz CZALYQBCNHFRBP-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780860 527755450 /nfs/dbraw/zinc/75/54/50/527755450.db2.gz CZALYQBCNHFRBP-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780860 527755453 /nfs/dbraw/zinc/75/54/53/527755453.db2.gz CZALYQBCNHFRBP-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781253 527833244 /nfs/dbraw/zinc/83/32/44/527833244.db2.gz IPEBGVHWYMTLED-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781253 527833246 /nfs/dbraw/zinc/83/32/46/527833246.db2.gz IPEBGVHWYMTLED-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781253 527833253 /nfs/dbraw/zinc/83/32/53/527833253.db2.gz IPEBGVHWYMTLED-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781253 527833256 /nfs/dbraw/zinc/83/32/56/527833256.db2.gz IPEBGVHWYMTLED-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CCc1nn(C)cc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121795124 546729205 /nfs/dbraw/zinc/72/92/05/546729205.db2.gz RSNOIULHZBSQBV-FQEVSTJZSA-N 2 2 326.488 3.127 10 0 EGAELP CCc1nn(C)cc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121795124 546729208 /nfs/dbraw/zinc/72/92/08/546729208.db2.gz RSNOIULHZBSQBV-FQEVSTJZSA-N 2 2 326.488 3.127 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(SC)cc1OC ZINC000188416288 547148920 /nfs/dbraw/zinc/14/89/20/547148920.db2.gz WQXQEILTDVHHHV-OAHLLOKOSA-N 2 2 347.484 3.287 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(SC)cc1OC ZINC000188416288 547148923 /nfs/dbraw/zinc/14/89/23/547148923.db2.gz WQXQEILTDVHHHV-OAHLLOKOSA-N 2 2 347.484 3.287 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000249840845 547315189 /nfs/dbraw/zinc/31/51/89/547315189.db2.gz NPEMQYPAWNRNEO-WBVHZDCISA-N 2 2 331.435 3.374 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000249840845 547315192 /nfs/dbraw/zinc/31/51/92/547315192.db2.gz NPEMQYPAWNRNEO-WBVHZDCISA-N 2 2 331.435 3.374 10 0 EGAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000414739480 547859941 /nfs/dbraw/zinc/85/99/41/547859941.db2.gz FWRRNSXBHREMPS-WMZOPIPTSA-N 2 2 332.492 3.036 10 0 EGAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000414739480 547859945 /nfs/dbraw/zinc/85/99/45/547859945.db2.gz FWRRNSXBHREMPS-WMZOPIPTSA-N 2 2 332.492 3.036 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)nn2C)cc1 ZINC000567781834 548078695 /nfs/dbraw/zinc/07/86/95/548078695.db2.gz RGRVWSWXZRKXJN-ZDUSSCGKSA-N 2 2 336.443 3.037 10 0 EGAELP Cc1ccc2nc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)cn2c1 ZINC000671190670 548258522 /nfs/dbraw/zinc/25/85/22/548258522.db2.gz AGBVPPHWMBFHOE-IBGZPJMESA-N 2 2 345.450 3.450 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674386820 548744811 /nfs/dbraw/zinc/74/48/11/548744811.db2.gz WWLARSUONOGDNO-MRXNPFEDSA-N 2 2 349.438 3.073 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674386820 548744815 /nfs/dbraw/zinc/74/48/15/548744815.db2.gz WWLARSUONOGDNO-MRXNPFEDSA-N 2 2 349.438 3.073 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000678782444 549560752 /nfs/dbraw/zinc/56/07/52/549560752.db2.gz QGGBTJRNEIUHAZ-LJQANCHMSA-N 2 2 330.447 3.143 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000678782444 549560758 /nfs/dbraw/zinc/56/07/58/549560758.db2.gz QGGBTJRNEIUHAZ-LJQANCHMSA-N 2 2 330.447 3.143 10 0 EGAELP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710171 550030290 /nfs/dbraw/zinc/03/02/90/550030290.db2.gz VCNKDKROKNAFNK-FXAWDEMLSA-N 2 2 346.540 3.494 10 0 EGAELP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710171 550030292 /nfs/dbraw/zinc/03/02/92/550030292.db2.gz VCNKDKROKNAFNK-FXAWDEMLSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710171 550030294 /nfs/dbraw/zinc/03/02/94/550030294.db2.gz VCNKDKROKNAFNK-FXAWDEMLSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710171 550030296 /nfs/dbraw/zinc/03/02/96/550030296.db2.gz VCNKDKROKNAFNK-FXAWDEMLSA-N 2 2 346.540 3.494 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](C)CC1 ZINC000684557706 550342843 /nfs/dbraw/zinc/34/28/43/550342843.db2.gz CMEUZRPKIBMWJN-NVPAJSRCSA-N 3 2 347.469 3.112 10 0 EGAELP CC(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000077400669 1292462685 /nfs/dbraw/zinc/46/26/85/1292462685.db2.gz BIZSYZXIGLSDTM-UHFFFAOYSA-N 2 2 330.451 3.221 10 0 EGAELP c1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2COc2cc[nH+]cc2)nc1 ZINC000253414354 1296467121 /nfs/dbraw/zinc/46/71/21/1296467121.db2.gz XFSCIOHKZWGLRS-AZUAARDMSA-N 2 2 346.434 3.166 10 0 EGAELP c1ccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2COc2cc[nH+]cc2)nc1 ZINC000253414354 1296467129 /nfs/dbraw/zinc/46/71/29/1296467129.db2.gz XFSCIOHKZWGLRS-AZUAARDMSA-N 2 2 346.434 3.166 10 0 EGAELP Nc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705887421 1298217494 /nfs/dbraw/zinc/21/74/94/1298217494.db2.gz NBBZRWRYYBIOGI-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705887421 1298217500 /nfs/dbraw/zinc/21/75/00/1298217500.db2.gz NBBZRWRYYBIOGI-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000705887421 1298217512 /nfs/dbraw/zinc/21/75/12/1298217512.db2.gz NBBZRWRYYBIOGI-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP Nc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000705887421 1298217523 /nfs/dbraw/zinc/21/75/23/1298217523.db2.gz NBBZRWRYYBIOGI-HDICACEKSA-N 2 2 341.886 3.486 10 0 EGAELP COc1cccc(OC)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112181 1309197021 /nfs/dbraw/zinc/19/70/21/1309197021.db2.gz NJXZFIYOIRCMGB-WKILWMFISA-N 2 2 341.455 3.375 10 0 EGAELP CCOc1cncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895115962 1309198188 /nfs/dbraw/zinc/19/81/88/1309198188.db2.gz QBGVXCJOIQCADW-QAQDUYKDSA-N 2 2 326.444 3.152 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250528 1310246802 /nfs/dbraw/zinc/24/68/02/1310246802.db2.gz JQBPHMFJZRCDFS-YESZJQIVSA-N 2 2 349.906 3.074 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250528 1310246810 /nfs/dbraw/zinc/24/68/10/1310246810.db2.gz JQBPHMFJZRCDFS-YESZJQIVSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250528 1310246818 /nfs/dbraw/zinc/24/68/18/1310246818.db2.gz JQBPHMFJZRCDFS-YESZJQIVSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250528 1310246831 /nfs/dbraw/zinc/24/68/31/1310246831.db2.gz JQBPHMFJZRCDFS-YESZJQIVSA-N 2 2 349.906 3.074 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719823 1328677041 /nfs/dbraw/zinc/67/70/41/1328677041.db2.gz QENXQWIOGSCAMC-PMPSAXMXSA-N 2 2 334.426 3.294 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719823 1328677045 /nfs/dbraw/zinc/67/70/45/1328677045.db2.gz QENXQWIOGSCAMC-PMPSAXMXSA-N 2 2 334.426 3.294 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719821 1328677622 /nfs/dbraw/zinc/67/76/22/1328677622.db2.gz QENXQWIOGSCAMC-JYJNAYRXSA-N 2 2 334.426 3.294 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719821 1328677630 /nfs/dbraw/zinc/67/76/30/1328677630.db2.gz QENXQWIOGSCAMC-JYJNAYRXSA-N 2 2 334.426 3.294 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(F)cc2Br)C1 ZINC000858100110 1328681967 /nfs/dbraw/zinc/68/19/67/1328681967.db2.gz KAOZGJGKIQSFIM-GFCCVEGCSA-N 2 2 329.257 3.328 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(F)cc2Br)C1 ZINC000858100110 1328681970 /nfs/dbraw/zinc/68/19/70/1328681970.db2.gz KAOZGJGKIQSFIM-GFCCVEGCSA-N 2 2 329.257 3.328 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CN1C(=O)OC(C)(C)C ZINC000858285526 1328729145 /nfs/dbraw/zinc/72/91/45/1328729145.db2.gz YOXMNOVPKBANMM-ZBFHGGJFSA-N 2 2 348.491 3.025 10 0 EGAELP CC[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743235 1322607630 /nfs/dbraw/zinc/60/76/30/1322607630.db2.gz OZDCRVRZNKWJGS-UXHICEINSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743235 1322607637 /nfs/dbraw/zinc/60/76/37/1322607637.db2.gz OZDCRVRZNKWJGS-UXHICEINSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC12CCOCC2)c1ccccc1 ZINC000925057475 1323260107 /nfs/dbraw/zinc/26/01/07/1323260107.db2.gz HICBXQBHOOZNDR-AEFFLSMTSA-N 2 2 332.488 3.044 10 0 EGAELP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@@]2(C)C1 ZINC000931306732 1329090230 /nfs/dbraw/zinc/09/02/30/1329090230.db2.gz LUSVGQSNBRIWMI-GVDBMIGSSA-N 2 2 342.405 3.012 10 0 EGAELP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513189 1329133609 /nfs/dbraw/zinc/13/36/09/1329133609.db2.gz YRUFUFYDILHXPV-UHFFFAOYSA-N 2 2 338.455 3.058 10 0 EGAELP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513189 1329133612 /nfs/dbraw/zinc/13/36/12/1329133612.db2.gz YRUFUFYDILHXPV-UHFFFAOYSA-N 2 2 338.455 3.058 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1-c1ccncc1 ZINC000925443178 1325152620 /nfs/dbraw/zinc/15/26/20/1325152620.db2.gz NGVWSADALCSQKR-WMZOPIPTSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1-c1ccncc1 ZINC000925443178 1325152622 /nfs/dbraw/zinc/15/26/22/1325152622.db2.gz NGVWSADALCSQKR-WMZOPIPTSA-N 2 2 342.512 3.354 10 0 EGAELP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925557472 1325207400 /nfs/dbraw/zinc/20/74/00/1325207400.db2.gz ORQXSGVGMLDNAS-KZNAEPCWSA-N 2 2 349.906 3.080 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc(-c2ccccc2)no1 ZINC000925645181 1325246484 /nfs/dbraw/zinc/24/64/84/1325246484.db2.gz OLKZIBDSRBMBPB-NXHRZFHOSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1nc(-c2ccccc2)no1 ZINC000925645181 1325246490 /nfs/dbraw/zinc/24/64/90/1325246490.db2.gz OLKZIBDSRBMBPB-NXHRZFHOSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1nc2ccc(Cl)cc2n1C ZINC000925774861 1325295385 /nfs/dbraw/zinc/29/53/85/1325295385.db2.gz ACRGKQKXJXXRQK-WDEREUQCSA-N 2 2 342.821 3.122 10 0 EGAELP c1nnc([C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc2)[nH]1 ZINC000925810345 1325311386 /nfs/dbraw/zinc/31/13/86/1325311386.db2.gz ZEAUNVQWYPYMEH-GOSISDBHSA-N 2 2 327.476 3.044 10 0 EGAELP Cc1nc2c(o1)CCC[C@@H]2Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000925935447 1325363495 /nfs/dbraw/zinc/36/34/95/1325363495.db2.gz DOKNEGLRQOJQRB-HOTGVXAUSA-N 2 2 341.459 3.008 10 0 EGAELP CC(C)CC[NH+]1CCC([NH2+]C2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000926226343 1325481601 /nfs/dbraw/zinc/48/16/01/1325481601.db2.gz UTFVOZSHGFZTAX-UHFFFAOYSA-N 2 2 329.488 3.258 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000926230266 1325484513 /nfs/dbraw/zinc/48/45/13/1325484513.db2.gz RSVALZAZAFRXLX-DOMZBBRYSA-N 2 2 347.260 3.023 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C2 ZINC000926451009 1325559146 /nfs/dbraw/zinc/55/91/46/1325559146.db2.gz VCMYMCJEIWQIKC-RBUKOAKNSA-N 2 2 332.451 3.106 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926480648 1325569352 /nfs/dbraw/zinc/56/93/52/1325569352.db2.gz DAEVEZGADWWLAV-LSDHHAIUSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926480648 1325569359 /nfs/dbraw/zinc/56/93/59/1325569359.db2.gz DAEVEZGADWWLAV-LSDHHAIUSA-N 2 2 327.394 3.249 10 0 EGAELP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926960328 1327797326 /nfs/dbraw/zinc/79/73/26/1327797326.db2.gz FIYMOYUYKHZMLD-CJNGLKHVSA-N 2 2 340.393 3.406 10 0 EGAELP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926960331 1327798646 /nfs/dbraw/zinc/79/86/46/1327798646.db2.gz FIYMOYUYKHZMLD-XJKSGUPXSA-N 2 2 340.393 3.406 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000863574488 1329564230 /nfs/dbraw/zinc/56/42/30/1329564230.db2.gz ADXXBPIWTKMEAC-MRXNPFEDSA-N 2 2 348.878 3.297 10 0 EGAELP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000863983641 1329592515 /nfs/dbraw/zinc/59/25/15/1329592515.db2.gz KNKGNSFNYKHOJB-CRAIPNDOSA-N 2 2 347.503 3.325 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc(Cl)c(F)c3)[nH+]c2)C1 ZINC000865290247 1329683803 /nfs/dbraw/zinc/68/38/03/1329683803.db2.gz CFGNBFPTSCHKHP-AWEZNQCLSA-N 2 2 349.841 3.022 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+]C1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC000865399539 1329691698 /nfs/dbraw/zinc/69/16/98/1329691698.db2.gz QJUQHEVUJFIOKV-DQVLVPHSSA-N 2 2 345.531 3.354 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000865652239 1329725469 /nfs/dbraw/zinc/72/54/69/1329725469.db2.gz UMTQAYPURVHZMC-INIZCTEOSA-N 2 2 333.545 3.454 10 0 EGAELP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866392439 1330105613 /nfs/dbraw/zinc/10/56/13/1330105613.db2.gz DELDXZGHJFYYGB-HEFCMCLBSA-N 2 2 332.463 3.292 10 0 EGAELP Fc1ccc2onc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000866513015 1330120350 /nfs/dbraw/zinc/12/03/50/1330120350.db2.gz HWQCJAUJEDTZEH-UHFFFAOYSA-N 2 2 326.375 3.121 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001324068890 1387527252 /nfs/dbraw/zinc/52/72/52/1387527252.db2.gz WDCVQRSXEWJUPD-MAUKXSAKSA-N 2 2 347.503 3.038 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)NCC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001324897298 1387809460 /nfs/dbraw/zinc/80/94/60/1387809460.db2.gz JLKUJVVPUUYEPG-UHFFFAOYSA-N 2 2 348.535 3.007 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(N(C)C)n3)C2)CC1 ZINC001190651996 1367316701 /nfs/dbraw/zinc/31/67/01/1367316701.db2.gz UHPJUNZPIUGNAD-GOSISDBHSA-N 2 2 330.520 3.092 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(N(C)C)n3)C2)CC1 ZINC001190651996 1367316704 /nfs/dbraw/zinc/31/67/04/1367316704.db2.gz UHPJUNZPIUGNAD-GOSISDBHSA-N 2 2 330.520 3.092 10 0 EGAELP CCc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(CC)[nH+]1 ZINC001187081576 1388048159 /nfs/dbraw/zinc/04/81/59/1388048159.db2.gz NRBPLDJSKXZJNF-KRWDZBQOSA-N 2 2 340.471 3.296 10 0 EGAELP CCc1cc(NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(CC)[nH+]1 ZINC001187081576 1388048160 /nfs/dbraw/zinc/04/81/60/1388048160.db2.gz NRBPLDJSKXZJNF-KRWDZBQOSA-N 2 2 340.471 3.296 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC001203683003 1370217153 /nfs/dbraw/zinc/21/71/53/1370217153.db2.gz PGGIUCJTFXHDBG-CTNGQTDRSA-N 2 2 344.499 3.068 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326559470 1388239699 /nfs/dbraw/zinc/23/96/99/1388239699.db2.gz WZEHRLQJEUTUOR-ULQDDVLXSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326559470 1388239700 /nfs/dbraw/zinc/23/97/00/1388239700.db2.gz WZEHRLQJEUTUOR-ULQDDVLXSA-N 2 2 348.535 3.289 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265977403 1377174465 /nfs/dbraw/zinc/17/44/65/1377174465.db2.gz ZIFLWYJXJDTHMB-CHYADLBTSA-N 2 2 340.471 3.051 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC(C)([NH2+]CCC4CC4)CC3)ccn12 ZINC001274340341 1378123397 /nfs/dbraw/zinc/12/33/97/1378123397.db2.gz WWUMJSRZFGEWSY-UHFFFAOYSA-N 2 2 340.471 3.027 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677972 1378549104 /nfs/dbraw/zinc/54/91/04/1378549104.db2.gz LJSGZCOGJPBALN-SJLPKXTDSA-N 2 2 348.535 3.385 10 0 EGAELP 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ZINC001284196935 1379590726 /nfs/dbraw/zinc/59/07/26/1379590726.db2.gz OJIIBGNDZKULAH-DLBZAZTESA-N 2 2 342.487 3.259 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)CCC1CCCCC1)C(C)C ZINC001284558931 1379968329 /nfs/dbraw/zinc/96/83/29/1379968329.db2.gz PRNPAWQCLIOXAV-UHFFFAOYSA-N 2 2 348.535 3.400 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)CCC1CCCCC1)C(C)C ZINC001284558931 1379968331 /nfs/dbraw/zinc/96/83/31/1379968331.db2.gz PRNPAWQCLIOXAV-UHFFFAOYSA-N 2 2 348.535 3.400 10 0 EGAELP Cc1[nH]c([C@H]2CCCN2C(=O)c2ccc(CC[NH+](C)C)cc2)[nH+]c1C ZINC001303609980 1383809588 /nfs/dbraw/zinc/80/95/88/1383809588.db2.gz ZPVKZWLSPJRHAG-GOSISDBHSA-N 2 2 340.471 3.108 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001316769035 1384568409 /nfs/dbraw/zinc/56/84/09/1384568409.db2.gz GMASOPCWTMGPBP-MSOLQXFVSA-N 2 2 334.508 3.240 10 0 EGAELP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317687852 1385399183 /nfs/dbraw/zinc/39/91/83/1385399183.db2.gz 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ZINC001698695139 1406338960 /nfs/dbraw/zinc/33/89/60/1406338960.db2.gz VQVHUQMQJUGLKN-GRFNRIFCSA-N 2 2 344.503 3.088 10 0 EGAELP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001698695139 1406338966 /nfs/dbraw/zinc/33/89/66/1406338966.db2.gz VQVHUQMQJUGLKN-GRFNRIFCSA-N 2 2 344.503 3.088 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001322352606 1387166570 /nfs/dbraw/zinc/16/65/70/1387166570.db2.gz BAXITIBIGCHJLJ-IEBWSBKVSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001322637435 1387217063 /nfs/dbraw/zinc/21/70/63/1387217063.db2.gz UEADEWKABJEEJD-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001322716157 1387230160 /nfs/dbraw/zinc/23/01/60/1387230160.db2.gz JTGIROSBMORDMU-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001329557683 1389155465 /nfs/dbraw/zinc/15/54/65/1389155465.db2.gz DMOXEVTYAFIZED-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001329557683 1389155467 /nfs/dbraw/zinc/15/54/67/1389155467.db2.gz DMOXEVTYAFIZED-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP Cc1nc2ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc2s1 ZINC001332024966 1389950362 /nfs/dbraw/zinc/95/03/62/1389950362.db2.gz MWMPFXCAGYSTII-UHFFFAOYSA-N 2 2 345.512 3.338 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332183682 1390025700 /nfs/dbraw/zinc/02/57/00/1390025700.db2.gz DYYUIIWDJOFDSF-CKBPIOJVSA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332183682 1390025710 /nfs/dbraw/zinc/02/57/10/1390025710.db2.gz DYYUIIWDJOFDSF-CKBPIOJVSA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332183682 1390025717 /nfs/dbraw/zinc/02/57/17/1390025717.db2.gz DYYUIIWDJOFDSF-CKBPIOJVSA-N 2 2 332.492 3.058 10 0 EGAELP 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ZINC001333314715 1390282548 /nfs/dbraw/zinc/28/25/48/1390282548.db2.gz SWDSBXSGZBIBMK-STQMWFEESA-N 2 2 344.425 3.182 10 0 EGAELP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001333314715 1390282550 /nfs/dbraw/zinc/28/25/50/1390282550.db2.gz SWDSBXSGZBIBMK-STQMWFEESA-N 2 2 344.425 3.182 10 0 EGAELP CCn1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351168 1390522104 /nfs/dbraw/zinc/52/21/04/1390522104.db2.gz XAHYADPARMSICX-APWZRJJASA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351168 1390522106 /nfs/dbraw/zinc/52/21/06/1390522106.db2.gz XAHYADPARMSICX-APWZRJJASA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351168 1390522109 /nfs/dbraw/zinc/52/21/09/1390522109.db2.gz XAHYADPARMSICX-APWZRJJASA-N 2 2 326.488 3.485 10 0 EGAELP CCn1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC001334351168 1390522110 /nfs/dbraw/zinc/52/21/10/1390522110.db2.gz XAHYADPARMSICX-APWZRJJASA-N 2 2 326.488 3.485 10 0 EGAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348705357 1391255044 /nfs/dbraw/zinc/25/50/44/1391255044.db2.gz JFLTXMHTGHZSRH-ZACQAIPSSA-N 2 2 346.519 3.217 10 0 EGAELP C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001479525111 1392268651 /nfs/dbraw/zinc/26/86/51/1392268651.db2.gz LVKSPMVOLVGALL-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+](CC2CCCC2)C1 ZINC001479745156 1392360703 /nfs/dbraw/zinc/36/07/03/1392360703.db2.gz IVISTTYSKABEHD-KRWDZBQOSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+](CC2CCCC2)C1 ZINC001479745156 1392360704 /nfs/dbraw/zinc/36/07/04/1392360704.db2.gz IVISTTYSKABEHD-KRWDZBQOSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+](CC2CCCC2)C1 ZINC001479745156 1392360707 /nfs/dbraw/zinc/36/07/07/1392360707.db2.gz IVISTTYSKABEHD-KRWDZBQOSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+](CC2CCCC2)C1 ZINC001479745156 1392360713 /nfs/dbraw/zinc/36/07/13/1392360713.db2.gz IVISTTYSKABEHD-KRWDZBQOSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)c(C)[nH+]1 ZINC001480033018 1392543420 /nfs/dbraw/zinc/54/34/20/1392543420.db2.gz BAVLVFKCZBEWOF-SFHVURJKSA-N 2 2 329.488 3.295 10 0 EGAELP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480735477 1392901002 /nfs/dbraw/zinc/90/10/02/1392901002.db2.gz HNQDNDVCFUWWLS-KZNAEPCWSA-N 2 2 346.519 3.027 10 0 EGAELP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480735477 1392901006 /nfs/dbraw/zinc/90/10/06/1392901006.db2.gz HNQDNDVCFUWWLS-KZNAEPCWSA-N 2 2 346.519 3.027 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCC3=CCCCC3)ccn12 ZINC001481230066 1393151557 /nfs/dbraw/zinc/15/15/57/1393151557.db2.gz FDBRPIDEMMNSDE-UHFFFAOYSA-N 2 2 340.471 3.195 10 0 EGAELP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCCCCF ZINC001698899041 1406631721 /nfs/dbraw/zinc/63/17/21/1406631721.db2.gz NVHHOBUYHMWEFD-ZBFHGGJFSA-N 2 2 346.450 3.143 10 0 EGAELP CCCCC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001490410918 1394218509 /nfs/dbraw/zinc/21/85/09/1394218509.db2.gz GSRNPIQUPDHMKU-UHFFFAOYSA-N 2 2 328.460 3.290 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001490775142 1394337912 /nfs/dbraw/zinc/33/79/12/1394337912.db2.gz GRXSZXRADORYAV-INIZCTEOSA-N 2 2 334.508 3.048 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001490775142 1394337919 /nfs/dbraw/zinc/33/79/19/1394337919.db2.gz GRXSZXRADORYAV-INIZCTEOSA-N 2 2 334.508 3.048 10 0 EGAELP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001491180031 1394460365 /nfs/dbraw/zinc/46/03/65/1394460365.db2.gz OMWDINSBCIFUGM-KRWDZBQOSA-N 2 2 346.519 3.096 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001481965262 1394627249 /nfs/dbraw/zinc/62/72/49/1394627249.db2.gz WHWJYSLQGGLLCH-YLJYHZDGSA-N 2 2 344.503 3.038 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001482463911 1395020888 /nfs/dbraw/zinc/02/08/88/1395020888.db2.gz XIGMECYXAGHASJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001482463911 1395020892 /nfs/dbraw/zinc/02/08/92/1395020892.db2.gz XIGMECYXAGHASJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001482497103 1395049045 /nfs/dbraw/zinc/04/90/45/1395049045.db2.gz BOCHXSVYXAKXAV-CIHFUWIRSA-N 2 2 346.519 3.224 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485483549 1395969403 /nfs/dbraw/zinc/96/94/03/1395969403.db2.gz WTXJISQVSGAGQN-APWZRJJASA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485483549 1395969408 /nfs/dbraw/zinc/96/94/08/1395969408.db2.gz WTXJISQVSGAGQN-APWZRJJASA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485483549 1395969412 /nfs/dbraw/zinc/96/94/12/1395969412.db2.gz WTXJISQVSGAGQN-APWZRJJASA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485483549 1395969416 /nfs/dbraw/zinc/96/94/16/1395969416.db2.gz WTXJISQVSGAGQN-APWZRJJASA-N 2 2 348.535 3.385 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492159373 1396309748 /nfs/dbraw/zinc/30/97/48/1396309748.db2.gz ZIKBLYPOFWUEMG-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492159373 1396309749 /nfs/dbraw/zinc/30/97/49/1396309749.db2.gz ZIKBLYPOFWUEMG-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492159373 1396309750 /nfs/dbraw/zinc/30/97/50/1396309750.db2.gz ZIKBLYPOFWUEMG-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492159373 1396309751 /nfs/dbraw/zinc/30/97/51/1396309751.db2.gz ZIKBLYPOFWUEMG-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496126884 1396606945 /nfs/dbraw/zinc/60/69/45/1396606945.db2.gz TVCIFLRKZJUDGQ-INIZCTEOSA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCC(C)(C)C ZINC001496572317 1396715958 /nfs/dbraw/zinc/71/59/58/1396715958.db2.gz BHMPIGIDANDJHW-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001498342452 1396969752 /nfs/dbraw/zinc/96/97/52/1396969752.db2.gz IRNQPPWLEIKQLB-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001498342452 1396969757 /nfs/dbraw/zinc/96/97/57/1396969757.db2.gz IRNQPPWLEIKQLB-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690416356 1404547275 /nfs/dbraw/zinc/54/72/75/1404547275.db2.gz LPPQNGZIKCWQBO-IRXDYDNUSA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001690448168 1404571857 /nfs/dbraw/zinc/57/18/57/1404571857.db2.gz FZCNQEVHJNUPBG-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001690448168 1404571861 /nfs/dbraw/zinc/57/18/61/1404571861.db2.gz FZCNQEVHJNUPBG-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCCCCC1 ZINC001690867449 1404786160 /nfs/dbraw/zinc/78/61/60/1404786160.db2.gz VVKHFXQFMHZWHZ-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCCCCC1 ZINC001690867449 1404786165 /nfs/dbraw/zinc/78/61/65/1404786165.db2.gz VVKHFXQFMHZWHZ-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001691101165 1405040859 /nfs/dbraw/zinc/04/08/59/1405040859.db2.gz RFJPGCLSLKWKAD-FGTMMUONSA-N 2 2 348.535 3.391 10 0 EGAELP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691150247 1405083728 /nfs/dbraw/zinc/08/37/28/1405083728.db2.gz FTAGGRFMOFJVIM-CTYIDZIISA-N 2 2 328.460 3.097 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001691743080 1405464810 /nfs/dbraw/zinc/46/48/10/1405464810.db2.gz VBZKYPXIPKPRIT-NXANPBQISA-N 2 2 346.519 3.145 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001691928340 1405659201 /nfs/dbraw/zinc/65/92/01/1405659201.db2.gz ASVYJIYIBXHZLA-BPQIPLTHSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001691928340 1405659206 /nfs/dbraw/zinc/65/92/06/1405659206.db2.gz ASVYJIYIBXHZLA-BPQIPLTHSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001692010465 1405729641 /nfs/dbraw/zinc/72/96/41/1405729641.db2.gz VYIITKSGTMSRDU-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001692075772 1405762190 /nfs/dbraw/zinc/76/21/90/1405762190.db2.gz QAJINXZIDQTPIO-SQNIBIBYSA-N 2 2 334.508 3.095 10 0 EGAELP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001692124104 1405785410 /nfs/dbraw/zinc/78/54/10/1405785410.db2.gz JLGCUCJIVTYBLB-SFHVURJKSA-N 2 2 348.535 3.294 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692330094 1405948767 /nfs/dbraw/zinc/94/87/67/1405948767.db2.gz URZDVYCYGLLULN-RCCFBDPRSA-N 2 2 346.519 3.075 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001732089427 1428353646 /nfs/dbraw/zinc/35/36/46/1428353646.db2.gz MRZNXHKTLQBMPZ-DSQZMVHQSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)CCC[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732301138 1428519430 /nfs/dbraw/zinc/51/94/30/1428519430.db2.gz ABHYEVSKDXBKIM-UHFFFAOYSA-N 2 2 348.535 3.342 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001732451466 1428587187 /nfs/dbraw/zinc/58/71/87/1428587187.db2.gz ZUPUKIFTWZIIKF-GFCCVEGCSA-N 2 2 348.516 3.002 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732526463 1428645783 /nfs/dbraw/zinc/64/57/83/1428645783.db2.gz DEYVKZBOLCTMEA-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001699657702 1413040530 /nfs/dbraw/zinc/04/05/30/1413040530.db2.gz KDLOTRIVJBWPIW-UHFFFAOYSA-N 2 2 340.471 3.157 10 0 EGAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]CCC1CC1 ZINC001732541876 1428691735 /nfs/dbraw/zinc/69/17/35/1428691735.db2.gz WTWRVVPVBXDEAH-AUUYWEPGSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001699978506 1413423216 /nfs/dbraw/zinc/42/32/16/1413423216.db2.gz DIHOMGHYJTTZBJ-BZSNNMDCSA-N 2 2 346.519 3.067 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001699978506 1413423219 /nfs/dbraw/zinc/42/32/19/1413423219.db2.gz DIHOMGHYJTTZBJ-BZSNNMDCSA-N 2 2 346.519 3.067 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001700012981 1413456626 /nfs/dbraw/zinc/45/66/26/1413456626.db2.gz OJELHOFDFVNCGN-BYWFETGPSA-N 2 2 344.503 3.256 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001700012981 1413456627 /nfs/dbraw/zinc/45/66/27/1413456627.db2.gz OJELHOFDFVNCGN-BYWFETGPSA-N 2 2 344.503 3.256 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700017642 1413464064 /nfs/dbraw/zinc/46/40/64/1413464064.db2.gz QNUZYGANFZETSG-OALUTQOASA-N 2 2 346.519 3.165 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700017642 1413464066 /nfs/dbraw/zinc/46/40/66/1413464066.db2.gz QNUZYGANFZETSG-OALUTQOASA-N 2 2 346.519 3.165 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001700228475 1413684148 /nfs/dbraw/zinc/68/41/48/1413684148.db2.gz WVJNMOFGEFJNTQ-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001700228475 1413684154 /nfs/dbraw/zinc/68/41/54/1413684154.db2.gz WVJNMOFGEFJNTQ-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001700228475 1413684158 /nfs/dbraw/zinc/68/41/58/1413684158.db2.gz WVJNMOFGEFJNTQ-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001700228475 1413684162 /nfs/dbraw/zinc/68/41/62/1413684162.db2.gz WVJNMOFGEFJNTQ-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001700261792 1413709306 /nfs/dbraw/zinc/70/93/06/1413709306.db2.gz GRPZHIVEKICXSC-DYVFJYSZSA-N 2 2 328.460 3.049 10 0 EGAELP C[C@@H](CCC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 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NBVDBUZMQWEZIE-DLBZAZTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717675100 1421561058 /nfs/dbraw/zinc/56/10/58/1421561058.db2.gz NRYZZUSBBRKKTN-CQSZACIVSA-N 2 2 342.487 3.487 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001717874291 1421681842 /nfs/dbraw/zinc/68/18/42/1421681842.db2.gz AUNSMMGAHIDPMP-GDBMZVCRSA-N 2 2 342.487 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CC[C@@H](C)F)C(C)(C)C2)c(C)[nH+]1 ZINC001717897049 1421694737 /nfs/dbraw/zinc/69/47/37/1421694737.db2.gz FBLXDBFDPVGVIZ-CJNGLKHVSA-N 2 2 335.467 3.195 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001717903823 1421700247 /nfs/dbraw/zinc/70/02/47/1421700247.db2.gz ABGXLVXFOLVZSW-QZTJIDSGSA-N 2 2 348.535 3.172 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001733379031 1429563218 /nfs/dbraw/zinc/56/32/18/1429563218.db2.gz CZRUPHWXVMTISS-AUUYWEPGSA-N 2 2 342.487 3.487 10 0 EGAELP CC(C)CC[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001723315801 1424348318 /nfs/dbraw/zinc/34/83/18/1424348318.db2.gz OODIBGLKDUFEEO-IBGZPJMESA-N 2 2 340.471 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001724601286 1424932801 /nfs/dbraw/zinc/93/28/01/1424932801.db2.gz IFMMGHHDXCWRIO-PXONKACGSA-N 2 2 335.879 3.057 10 0 EGAELP CCC(=CC(=O)NCC[NH+]1CCC([NH2+]CC2=CCCCC2)CC1)CC ZINC001724627589 1424982743 /nfs/dbraw/zinc/98/27/43/1424982743.db2.gz ARWHMARFPVEFBO-UHFFFAOYSA-N 2 2 347.547 3.403 10 0 EGAELP CC(C)(C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1)c1c[nH+]c[nH]1 ZINC001724961281 1425350288 /nfs/dbraw/zinc/35/02/88/1425350288.db2.gz NKOJVIWSPJOBOB-UHFFFAOYSA-N 2 2 346.519 3.238 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724966551 1425359570 /nfs/dbraw/zinc/35/95/70/1425359570.db2.gz OOUDZDQPYVRJCG-NUJGCVRESA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724966551 1425359577 /nfs/dbraw/zinc/35/95/77/1425359577.db2.gz OOUDZDQPYVRJCG-NUJGCVRESA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724966551 1425359581 /nfs/dbraw/zinc/35/95/81/1425359581.db2.gz OOUDZDQPYVRJCG-NUJGCVRESA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724966551 1425359584 /nfs/dbraw/zinc/35/95/84/1425359584.db2.gz OOUDZDQPYVRJCG-NUJGCVRESA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001725067359 1425508701 /nfs/dbraw/zinc/50/87/01/1425508701.db2.gz SFFUWSOWOWLUCF-UHFFFAOYSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001725197082 1425750898 /nfs/dbraw/zinc/75/08/98/1425750898.db2.gz SANQUEFVWQDANF-RDJZCZTQSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001725197082 1425750902 /nfs/dbraw/zinc/75/09/02/1425750902.db2.gz SANQUEFVWQDANF-RDJZCZTQSA-N 2 2 342.487 3.075 10 0 EGAELP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC001725346670 1425998904 /nfs/dbraw/zinc/99/89/04/1425998904.db2.gz HVZQVLYYPCDBRA-RLLQIKCJSA-N 2 2 346.519 3.195 10 0 EGAELP CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC001725346670 1425998906 /nfs/dbraw/zinc/99/89/06/1425998906.db2.gz HVZQVLYYPCDBRA-RLLQIKCJSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@@H](CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001725680028 1426368283 /nfs/dbraw/zinc/36/82/83/1426368283.db2.gz WBTPGBDLZVENMJ-IRXDYDNUSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001731255376 1427206363 /nfs/dbraw/zinc/20/63/63/1427206363.db2.gz PWYHOVLQMZQJQJ-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001731255376 1427206366 /nfs/dbraw/zinc/20/63/66/1427206366.db2.gz PWYHOVLQMZQJQJ-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001731399391 1427358872 /nfs/dbraw/zinc/35/88/72/1427358872.db2.gz LVGRQVNWLBSVQW-MRXNPFEDSA-N 2 2 342.487 3.259 10 0 EGAELP Cc1cccn2cc(CC(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001731624333 1427675109 /nfs/dbraw/zinc/67/51/09/1427675109.db2.gz URQRUFYDRNIUCL-MRXNPFEDSA-N 2 2 344.503 3.106 10 0 EGAELP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731717068 1427781831 /nfs/dbraw/zinc/78/18/31/1427781831.db2.gz SKTFLBRPXCDPDL-GOSISDBHSA-N 2 2 342.487 3.369 10 0 EGAELP CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731717068 1427781833 /nfs/dbraw/zinc/78/18/33/1427781833.db2.gz SKTFLBRPXCDPDL-GOSISDBHSA-N 2 2 342.487 3.369 10 0 EGAELP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001733685074 1429901123 /nfs/dbraw/zinc/90/11/23/1429901123.db2.gz UELXCHUFXAWCEJ-IRXDYDNUSA-N 2 2 342.487 3.457 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001733764142 1429983818 /nfs/dbraw/zinc/98/38/18/1429983818.db2.gz DSJHDOPWCJEDKX-OOFWQKGWSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001733764142 1429983820 /nfs/dbraw/zinc/98/38/20/1429983820.db2.gz DSJHDOPWCJEDKX-OOFWQKGWSA-N 2 2 346.519 3.070 10 0 EGAELP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001734013365 1437804485 /nfs/dbraw/zinc/80/44/85/1437804485.db2.gz NGZGKCNVVJZSGE-LSJNQWAISA-N 2 2 348.535 3.384 10 0 EGAELP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001734013365 1437804488 /nfs/dbraw/zinc/80/44/88/1437804488.db2.gz NGZGKCNVVJZSGE-LSJNQWAISA-N 2 2 348.535 3.384 10 0 EGAELP CC[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001734025046 1437813142 /nfs/dbraw/zinc/81/31/42/1437813142.db2.gz HACUWNDOCKIHDC-GOSISDBHSA-N 2 2 342.487 3.109 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001734268668 1437990274 /nfs/dbraw/zinc/99/02/74/1437990274.db2.gz XCKBVQVXJMMVML-OAHLLOKOSA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001734268668 1437990277 /nfs/dbraw/zinc/99/02/77/1437990277.db2.gz XCKBVQVXJMMVML-OAHLLOKOSA-N 2 2 342.487 3.225 10 0 EGAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(C)(C)C ZINC001734288983 1438018893 /nfs/dbraw/zinc/01/88/93/1438018893.db2.gz VGGAYSHZTWZTHY-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001734324344 1438050326 /nfs/dbraw/zinc/05/03/26/1438050326.db2.gz WZSHEMAXHKNPQM-OAHLLOKOSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001734345434 1438064984 /nfs/dbraw/zinc/06/49/84/1438064984.db2.gz ZXTAZTQAJKQWTQ-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946053 1440118379 /nfs/dbraw/zinc/11/83/79/1440118379.db2.gz XREJAXSZQNVLAB-DLBZAZTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946053 1440118380 /nfs/dbraw/zinc/11/83/80/1440118380.db2.gz XREJAXSZQNVLAB-DLBZAZTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[NH+]1CCC2(C[C@H](c3noc(C4CCC4)n3)[N@H+](C)C2)CC1 ZINC001772495490 1441415922 /nfs/dbraw/zinc/41/59/22/1441415922.db2.gz IDMUYYFDINOWRN-MRXNPFEDSA-N 2 2 332.492 3.452 10 0 EGAELP CC(C)C[NH+]1CCC2(C[C@H](c3noc(C4CCC4)n3)[N@@H+](C)C2)CC1 ZINC001772495490 1441415923 /nfs/dbraw/zinc/41/59/23/1441415923.db2.gz IDMUYYFDINOWRN-MRXNPFEDSA-N 2 2 332.492 3.452 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)cn2)c[nH+]1 ZINC000369011167 168392117 /nfs/dbraw/zinc/39/21/17/168392117.db2.gz PYSSRIXUFBVRCU-NRFANRHFSA-N 2 2 346.434 3.289 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)cn2)c[nH+]1 ZINC000369011167 168392119 /nfs/dbraw/zinc/39/21/19/168392119.db2.gz PYSSRIXUFBVRCU-NRFANRHFSA-N 2 2 346.434 3.289 10 0 EGAELP CC(C)C[NH+]1CCC(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000055409089 214321129 /nfs/dbraw/zinc/32/11/29/214321129.db2.gz LTKHIBZKCUNILK-UHFFFAOYSA-N 2 2 326.444 3.179 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181304618 529760790 /nfs/dbraw/zinc/76/07/90/529760790.db2.gz MAXWKSWUZWHIQC-MRXNPFEDSA-N 2 2 340.475 3.086 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181304618 529760791 /nfs/dbraw/zinc/76/07/91/529760791.db2.gz MAXWKSWUZWHIQC-MRXNPFEDSA-N 2 2 340.475 3.086 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000171521231 529760919 /nfs/dbraw/zinc/76/09/19/529760919.db2.gz KPLBGTIVEHGDRI-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000171521231 529760920 /nfs/dbraw/zinc/76/09/20/529760920.db2.gz KPLBGTIVEHGDRI-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049846 314291786 /nfs/dbraw/zinc/29/17/86/314291786.db2.gz SMNNBMFQMFNJRQ-HZMBPMFUSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049846 314291788 /nfs/dbraw/zinc/29/17/88/314291788.db2.gz SMNNBMFQMFNJRQ-HZMBPMFUSA-N 2 2 331.685 3.185 10 0 EGAELP COc1ccc(F)cc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000187585955 236252102 /nfs/dbraw/zinc/25/21/02/236252102.db2.gz CZVPBDHDFWSAKU-UHFFFAOYSA-N 2 2 334.357 3.341 10 0 EGAELP Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000415039147 309115825 /nfs/dbraw/zinc/11/58/25/309115825.db2.gz IXNZDSAVEGSVRI-GXTWGEPZSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000415039147 309115826 /nfs/dbraw/zinc/11/58/26/309115826.db2.gz IXNZDSAVEGSVRI-GXTWGEPZSA-N 2 2 339.277 3.119 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848093 242205450 /nfs/dbraw/zinc/20/54/50/242205450.db2.gz ZARNYNFZPXAAET-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848093 242205453 /nfs/dbraw/zinc/20/54/53/242205453.db2.gz ZARNYNFZPXAAET-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848093 242205457 /nfs/dbraw/zinc/20/54/57/242205457.db2.gz ZARNYNFZPXAAET-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848093 242205462 /nfs/dbraw/zinc/20/54/62/242205462.db2.gz ZARNYNFZPXAAET-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)n1C1CC1 ZINC000133205547 223396726 /nfs/dbraw/zinc/39/67/26/223396726.db2.gz PYLUQTXIBRYWDP-GOSISDBHSA-N 2 2 340.471 3.292 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)n1C1CC1 ZINC000133205547 223396728 /nfs/dbraw/zinc/39/67/28/223396728.db2.gz PYLUQTXIBRYWDP-GOSISDBHSA-N 2 2 340.471 3.292 10 0 EGAELP C[NH+](C)CCCOc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110537826 220042815 /nfs/dbraw/zinc/04/28/15/220042815.db2.gz FVAHXRRQXZYHAF-UHFFFAOYSA-N 2 2 326.444 3.297 10 0 EGAELP Cc1cnn(CCCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212792 220110038 /nfs/dbraw/zinc/11/00/38/220110038.db2.gz XIAVYNWPKVCIEW-GOSISDBHSA-N 2 2 327.476 3.191 10 0 EGAELP Cc1cnn(CCCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212792 220110040 /nfs/dbraw/zinc/11/00/40/220110040.db2.gz XIAVYNWPKVCIEW-GOSISDBHSA-N 2 2 327.476 3.191 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095340 217360815 /nfs/dbraw/zinc/36/08/15/217360815.db2.gz MZTVUKQTXCENGP-DYVFJYSZSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095340 217360819 /nfs/dbraw/zinc/36/08/19/217360819.db2.gz MZTVUKQTXCENGP-DYVFJYSZSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095340 217360821 /nfs/dbraw/zinc/36/08/21/217360821.db2.gz MZTVUKQTXCENGP-DYVFJYSZSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095340 217360824 /nfs/dbraw/zinc/36/08/24/217360824.db2.gz MZTVUKQTXCENGP-DYVFJYSZSA-N 2 2 337.895 3.249 10 0 EGAELP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377652197 169055177 /nfs/dbraw/zinc/05/51/77/169055177.db2.gz PPMXRSXDUZYPSY-FQEVSTJZSA-N 2 2 338.499 3.219 10 0 EGAELP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377652197 169055180 /nfs/dbraw/zinc/05/51/80/169055180.db2.gz PPMXRSXDUZYPSY-FQEVSTJZSA-N 2 2 338.499 3.219 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377652197 169055181 /nfs/dbraw/zinc/05/51/81/169055181.db2.gz PPMXRSXDUZYPSY-FQEVSTJZSA-N 3 2 338.499 3.219 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377652197 169055183 /nfs/dbraw/zinc/05/51/83/169055183.db2.gz PPMXRSXDUZYPSY-FQEVSTJZSA-N 3 2 338.499 3.219 10 0 EGAELP COc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000093644015 218237803 /nfs/dbraw/zinc/23/78/03/218237803.db2.gz MVGVNAGURPADMF-GHMZBOCLSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000093644015 218237804 /nfs/dbraw/zinc/23/78/04/218237804.db2.gz MVGVNAGURPADMF-GHMZBOCLSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000093644015 218237806 /nfs/dbraw/zinc/23/78/06/218237806.db2.gz MVGVNAGURPADMF-GHMZBOCLSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000093644015 218237807 /nfs/dbraw/zinc/23/78/07/218237807.db2.gz MVGVNAGURPADMF-GHMZBOCLSA-N 2 2 347.322 3.434 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000093644005 218238242 /nfs/dbraw/zinc/23/82/42/218238242.db2.gz PPVHYHAOIBEGBX-OCCSQVGLSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000093644005 218238243 /nfs/dbraw/zinc/23/82/43/218238243.db2.gz PPVHYHAOIBEGBX-OCCSQVGLSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644005 218238246 /nfs/dbraw/zinc/23/82/46/218238246.db2.gz PPVHYHAOIBEGBX-OCCSQVGLSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644005 218238249 /nfs/dbraw/zinc/23/82/49/218238249.db2.gz PPVHYHAOIBEGBX-OCCSQVGLSA-N 2 2 334.414 3.269 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000119016832 221223640 /nfs/dbraw/zinc/22/36/40/221223640.db2.gz DYLULTZTMRZNCT-ZDUSSCGKSA-N 2 2 333.457 3.131 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000119016832 221223642 /nfs/dbraw/zinc/22/36/42/221223642.db2.gz DYLULTZTMRZNCT-ZDUSSCGKSA-N 2 2 333.457 3.131 10 0 EGAELP C[N@@H+](Cc1nc2c(s1)CCC2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328631724 258028918 /nfs/dbraw/zinc/02/89/18/258028918.db2.gz KUKZNSCRULAFMU-KXBFYZLASA-N 2 2 342.512 3.152 10 0 EGAELP C[N@H+](Cc1nc2c(s1)CCC2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328631724 258028920 /nfs/dbraw/zinc/02/89/20/258028920.db2.gz KUKZNSCRULAFMU-KXBFYZLASA-N 2 2 342.512 3.152 10 0 EGAELP C[NH+](Cc1nc2c(s1)CCC2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328631724 258028921 /nfs/dbraw/zinc/02/89/21/258028921.db2.gz KUKZNSCRULAFMU-KXBFYZLASA-N 2 2 342.512 3.152 10 0 EGAELP C[NH+](Cc1nc2c(s1)CCC2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328631724 258028923 /nfs/dbraw/zinc/02/89/23/258028923.db2.gz KUKZNSCRULAFMU-KXBFYZLASA-N 2 2 342.512 3.152 10 0 EGAELP Cc1cnc(C[NH+](C)[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000241588122 258000856 /nfs/dbraw/zinc/00/08/56/258000856.db2.gz OZVFEFYLTCUFOV-LFUKPOHLSA-N 2 2 338.499 3.373 10 0 EGAELP Cc1cnc(C[NH+](C)[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000241588122 258000857 /nfs/dbraw/zinc/00/08/57/258000857.db2.gz OZVFEFYLTCUFOV-LFUKPOHLSA-N 2 2 338.499 3.373 10 0 EGAELP Cc1cnc(C[N@@H+](C)[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000241588122 258000859 /nfs/dbraw/zinc/00/08/59/258000859.db2.gz OZVFEFYLTCUFOV-LFUKPOHLSA-N 2 2 338.499 3.373 10 0 EGAELP Cc1cnc(C[N@H+](C)[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000241588122 258000860 /nfs/dbraw/zinc/00/08/60/258000860.db2.gz OZVFEFYLTCUFOV-LFUKPOHLSA-N 2 2 338.499 3.373 10 0 EGAELP Brc1cncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000236587523 258006073 /nfs/dbraw/zinc/00/60/73/258006073.db2.gz CTOKAAYPYXXEDD-ZDUSSCGKSA-N 2 2 347.260 3.173 10 0 EGAELP Brc1cncc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000236587523 258006074 /nfs/dbraw/zinc/00/60/74/258006074.db2.gz CTOKAAYPYXXEDD-ZDUSSCGKSA-N 2 2 347.260 3.173 10 0 EGAELP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361048 141107477 /nfs/dbraw/zinc/10/74/77/141107477.db2.gz LJPKZKZOCSOKDR-TZMCWYRMSA-N 2 2 331.489 3.320 10 0 EGAELP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361048 141107478 /nfs/dbraw/zinc/10/74/78/141107478.db2.gz LJPKZKZOCSOKDR-TZMCWYRMSA-N 2 2 331.489 3.320 10 0 EGAELP FC(F)Oc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000341265161 141147148 /nfs/dbraw/zinc/14/71/48/141147148.db2.gz KJNJGMIAFWNGFK-UHFFFAOYSA-N 2 2 330.338 3.159 10 0 EGAELP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172158927 144016219 /nfs/dbraw/zinc/01/62/19/144016219.db2.gz PRMHUVJSXMQFNQ-MRXNPFEDSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172158927 144016221 /nfs/dbraw/zinc/01/62/21/144016221.db2.gz PRMHUVJSXMQFNQ-MRXNPFEDSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1cc(C[NH+]2CCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)on1 ZINC000185256242 144109170 /nfs/dbraw/zinc/10/91/70/144109170.db2.gz XYDAGXXMIHDOEJ-UHFFFAOYSA-N 2 2 336.439 3.470 10 0 EGAELP Cc1ccc2ccccc2c1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000361621577 144338787 /nfs/dbraw/zinc/33/87/87/144338787.db2.gz WDVTYKJTAIDNBP-UHFFFAOYSA-N 2 2 334.467 3.200 10 0 EGAELP CCO[C@@H](C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000120724168 152295641 /nfs/dbraw/zinc/29/56/41/152295641.db2.gz JITSMTYEJWIOJX-AWEZNQCLSA-N 2 2 348.516 3.429 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000192007011 153237757 /nfs/dbraw/zinc/23/77/57/153237757.db2.gz SFTSBWOUWSOCMN-UHFFFAOYSA-N 3 2 349.482 3.369 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000192076882 153240636 /nfs/dbraw/zinc/24/06/36/153240636.db2.gz HBHRQRKYMLDNTA-NRFANRHFSA-N 2 2 349.434 3.460 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000192076882 153240641 /nfs/dbraw/zinc/24/06/41/153240641.db2.gz HBHRQRKYMLDNTA-NRFANRHFSA-N 2 2 349.434 3.460 10 0 EGAELP c1c[nH+]c([C@@H](NC2CC[NH+](CC3CCCC3)CC2)c2cccnc2)[nH]1 ZINC000195012193 153370691 /nfs/dbraw/zinc/37/06/91/153370691.db2.gz YEYAVAHXBHGTEZ-IBGZPJMESA-N 2 2 339.487 3.138 10 0 EGAELP CC[N@H+](CCCNC(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000337391086 154328641 /nfs/dbraw/zinc/32/86/41/154328641.db2.gz ZIIFMGTWGIOZFZ-GOSISDBHSA-N 2 2 346.519 3.077 10 0 EGAELP CC[N@@H+](CCCNC(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000337391086 154328643 /nfs/dbraw/zinc/32/86/43/154328643.db2.gz ZIIFMGTWGIOZFZ-GOSISDBHSA-N 2 2 346.519 3.077 10 0 EGAELP CC[NH+](CCCNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000337391086 154328644 /nfs/dbraw/zinc/32/86/44/154328644.db2.gz ZIIFMGTWGIOZFZ-GOSISDBHSA-N 2 2 346.519 3.077 10 0 EGAELP CC[NH+](CCCNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000337391086 154328646 /nfs/dbraw/zinc/32/86/46/154328646.db2.gz ZIIFMGTWGIOZFZ-GOSISDBHSA-N 2 2 346.519 3.077 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416973 154343535 /nfs/dbraw/zinc/34/35/35/154343535.db2.gz ZWEJJSQXYQUNSB-BRWVUGGUSA-N 2 2 334.508 3.148 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000348926970 156290144 /nfs/dbraw/zinc/29/01/44/156290144.db2.gz ZLIZWEARFPDDNI-HKUYNNGSSA-N 2 2 332.488 3.220 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000348926970 156290146 /nfs/dbraw/zinc/29/01/46/156290146.db2.gz ZLIZWEARFPDDNI-HKUYNNGSSA-N 2 2 332.488 3.220 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)o2)cc1 ZINC000365403560 157115666 /nfs/dbraw/zinc/11/56/66/157115666.db2.gz NYMPXVVGANLFBJ-MRXNPFEDSA-N 2 2 329.444 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)o2)cc1 ZINC000365403560 157115669 /nfs/dbraw/zinc/11/56/69/157115669.db2.gz NYMPXVVGANLFBJ-MRXNPFEDSA-N 2 2 329.444 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000123258031 162254142 /nfs/dbraw/zinc/25/41/42/162254142.db2.gz GUKYDRHXPKUWNZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000123258031 162254147 /nfs/dbraw/zinc/25/41/47/162254147.db2.gz GUKYDRHXPKUWNZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000123258031 162254150 /nfs/dbraw/zinc/25/41/50/162254150.db2.gz GUKYDRHXPKUWNZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000123258031 162254155 /nfs/dbraw/zinc/25/41/55/162254155.db2.gz GUKYDRHXPKUWNZ-ZBFHGGJFSA-N 2 2 329.444 3.265 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248436981 163005752 /nfs/dbraw/zinc/00/57/52/163005752.db2.gz SJSZDNWMORANQV-GJZGRUSLSA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248436981 163005753 /nfs/dbraw/zinc/00/57/53/163005753.db2.gz SJSZDNWMORANQV-GJZGRUSLSA-N 2 2 327.472 3.108 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C12CCOCC2 ZINC000248629365 163022803 /nfs/dbraw/zinc/02/28/03/163022803.db2.gz GJKUUULWXJOMRR-IJXRJRJASA-N 2 2 346.515 3.242 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000249034563 163051533 /nfs/dbraw/zinc/05/15/33/163051533.db2.gz MGHNKWFMYCZHJA-IRXDYDNUSA-N 2 2 346.381 3.235 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000249034563 163051536 /nfs/dbraw/zinc/05/15/36/163051536.db2.gz MGHNKWFMYCZHJA-IRXDYDNUSA-N 2 2 346.381 3.235 10 0 EGAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344129763 164110432 /nfs/dbraw/zinc/11/04/32/164110432.db2.gz OSHDJLLNQSLDST-VQTJNVASSA-N 2 2 349.563 3.221 10 0 EGAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344129763 164110434 /nfs/dbraw/zinc/11/04/34/164110434.db2.gz OSHDJLLNQSLDST-VQTJNVASSA-N 2 2 349.563 3.221 10 0 EGAELP COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346168171 164355044 /nfs/dbraw/zinc/35/50/44/164355044.db2.gz CCQBQLOHJYUUHH-GOSISDBHSA-N 2 2 343.452 3.108 10 0 EGAELP COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346168171 164355045 /nfs/dbraw/zinc/35/50/45/164355045.db2.gz CCQBQLOHJYUUHH-GOSISDBHSA-N 2 2 343.452 3.108 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346191338 164359528 /nfs/dbraw/zinc/35/95/28/164359528.db2.gz BBZASYFRDOVQAN-INIZCTEOSA-N 3 2 330.501 3.384 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346191338 164359530 /nfs/dbraw/zinc/35/95/30/164359530.db2.gz BBZASYFRDOVQAN-INIZCTEOSA-N 3 2 330.501 3.384 10 0 EGAELP Cc1cc(NCCCn2cc[nH+]c2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000359455701 167161332 /nfs/dbraw/zinc/16/13/32/167161332.db2.gz RFMBERGSPXMGMM-UHFFFAOYSA-N 2 2 332.354 3.265 10 0 EGAELP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)nnn1-c1ccccc1 ZINC000360499357 167342642 /nfs/dbraw/zinc/34/26/42/167342642.db2.gz GAMBBPSYHRCTNJ-HNNXBMFYSA-N 2 2 339.487 3.243 10 0 EGAELP Fc1ccc([C@@H](NC2CC([NH+]3CCCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000366436960 168121024 /nfs/dbraw/zinc/12/10/24/168121024.db2.gz WJUUTNUETVXDNY-DAWZGUTISA-N 2 2 328.435 3.245 10 0 EGAELP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367258192 168199292 /nfs/dbraw/zinc/19/92/92/168199292.db2.gz PBUPKRTUIYUXIB-SJORKVTESA-N 2 2 336.842 3.101 10 0 EGAELP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000122965008 222191324 /nfs/dbraw/zinc/19/13/24/222191324.db2.gz IBMZOYHVMONFKY-HNNXBMFYSA-N 2 2 329.492 3.141 10 0 EGAELP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000122965008 222191326 /nfs/dbraw/zinc/19/13/26/222191326.db2.gz IBMZOYHVMONFKY-HNNXBMFYSA-N 2 2 329.492 3.141 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000122935274 222185361 /nfs/dbraw/zinc/18/53/61/222185361.db2.gz DVEARYODIJYVIX-KRWDZBQOSA-N 2 2 336.443 3.068 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000122935274 222185364 /nfs/dbraw/zinc/18/53/64/222185364.db2.gz DVEARYODIJYVIX-KRWDZBQOSA-N 2 2 336.443 3.068 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@@H+]1C ZINC000123779996 222331660 /nfs/dbraw/zinc/33/16/60/222331660.db2.gz GJVDYUAFDIMKJK-YLJYHZDGSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@H+]1C ZINC000123779996 222331664 /nfs/dbraw/zinc/33/16/64/222331664.db2.gz GJVDYUAFDIMKJK-YLJYHZDGSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123779996 222331667 /nfs/dbraw/zinc/33/16/67/222331667.db2.gz GJVDYUAFDIMKJK-YLJYHZDGSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123779996 222331669 /nfs/dbraw/zinc/33/16/69/222331669.db2.gz GJVDYUAFDIMKJK-YLJYHZDGSA-N 2 2 343.515 3.227 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000178298824 265308227 /nfs/dbraw/zinc/30/82/27/265308227.db2.gz JQPKDTNDEZUXEP-KRWDZBQOSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000178298824 265308232 /nfs/dbraw/zinc/30/82/32/265308232.db2.gz JQPKDTNDEZUXEP-KRWDZBQOSA-N 2 2 337.427 3.215 10 0 EGAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989515 266397996 /nfs/dbraw/zinc/39/79/96/266397996.db2.gz GFHCCVOSBJNJME-IEBWSBKVSA-N 2 2 343.515 3.049 10 0 EGAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989515 266398000 /nfs/dbraw/zinc/39/80/00/266398000.db2.gz GFHCCVOSBJNJME-IEBWSBKVSA-N 2 2 343.515 3.049 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000268869625 274393366 /nfs/dbraw/zinc/39/33/66/274393366.db2.gz HIASWPPJHJOUDF-TYNCELHUSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CC[N@H+]1C ZINC000268869625 274393368 /nfs/dbraw/zinc/39/33/68/274393368.db2.gz HIASWPPJHJOUDF-TYNCELHUSA-N 2 2 339.277 3.345 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278795178 275275598 /nfs/dbraw/zinc/27/55/98/275275598.db2.gz XDYJSWBPKWAMHP-UHFFFAOYSA-N 2 2 342.439 3.451 10 0 EGAELP CCN(CCC[NH+]1CCCC1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000190974579 276123265 /nfs/dbraw/zinc/12/32/65/276123265.db2.gz RCVBJQSZWIHWRW-UHFFFAOYSA-N 2 2 325.460 3.159 10 0 EGAELP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075263530 307398499 /nfs/dbraw/zinc/39/84/99/307398499.db2.gz CYGYPXVZRPWDBP-INIZCTEOSA-N 2 2 348.450 3.425 10 0 EGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000414124779 309062363 /nfs/dbraw/zinc/06/23/63/309062363.db2.gz LOOVSRAAHKRMCV-JTQLQIEISA-N 2 2 326.213 3.215 10 0 EGAELP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414347062 309074248 /nfs/dbraw/zinc/07/42/48/309074248.db2.gz VKTFZLAEGJPOEM-QAPCUYQASA-N 2 2 336.907 3.445 10 0 EGAELP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000162815714 307916793 /nfs/dbraw/zinc/91/67/93/307916793.db2.gz XQUJILKVCVQSII-LJQANCHMSA-N 2 2 330.472 3.017 10 0 EGAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-c2cccnc2)cc1 ZINC000414372424 309076206 /nfs/dbraw/zinc/07/62/06/309076206.db2.gz XSEAIFVSSBUQJG-OAHLLOKOSA-N 2 2 335.455 3.399 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414834360 309104693 /nfs/dbraw/zinc/10/46/93/309104693.db2.gz QQHYMBZBRFIJGA-HNNXBMFYSA-N 2 2 335.245 3.247 10 0 EGAELP Cc1cc(NCC2(C[NH+](C)C)CCCC2)nc(-c2cccnc2)[nH+]1 ZINC000302162211 308731547 /nfs/dbraw/zinc/73/15/47/308731547.db2.gz PTRSZWWCXBFACG-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414907465 309108506 /nfs/dbraw/zinc/10/85/06/309108506.db2.gz AUBDRFQKDMTRFR-BXKDBHETSA-N 2 2 349.219 3.138 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cs2)cc1 ZINC000414947570 309110737 /nfs/dbraw/zinc/11/07/37/309110737.db2.gz WTKLXUWWCYBBHB-WMLDXEAASA-N 2 2 331.485 3.118 10 0 EGAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414965063 309111946 /nfs/dbraw/zinc/11/19/46/309111946.db2.gz YZUQHILLMBIYJS-SKDRFNHKSA-N 2 2 349.219 3.281 10 0 EGAELP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051742 309116559 /nfs/dbraw/zinc/11/65/59/309116559.db2.gz MLPGXWWQAKYJPF-GOEBONIOSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051742 309116560 /nfs/dbraw/zinc/11/65/60/309116560.db2.gz MLPGXWWQAKYJPF-GOEBONIOSA-N 2 2 338.879 3.321 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000422726631 309365292 /nfs/dbraw/zinc/36/52/92/309365292.db2.gz FQJXDDAVGDCPIJ-INIZCTEOSA-N 3 2 338.499 3.164 10 0 EGAELP [NH3+]CC1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422779275 309367870 /nfs/dbraw/zinc/36/78/70/309367870.db2.gz FRFSXTSCQTZTHC-UHFFFAOYSA-N 3 2 335.923 3.412 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000422836699 309371154 /nfs/dbraw/zinc/37/11/54/309371154.db2.gz RSYZAJLANUIASG-NJDAHSKKSA-N 3 2 338.499 3.332 10 0 EGAELP c1sc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1C1CCCCC1 ZINC000422909370 309375590 /nfs/dbraw/zinc/37/55/90/309375590.db2.gz FSOBSROEQMNGDA-IEBWSBKVSA-N 2 2 349.544 3.090 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422990505 309379743 /nfs/dbraw/zinc/37/97/43/309379743.db2.gz NQQVSFATODHRAL-MDNKFWRPSA-N 2 2 332.488 3.282 10 0 EGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097259 309385736 /nfs/dbraw/zinc/38/57/36/309385736.db2.gz QNUXHOLUCBBHMP-YLWZXWFESA-N 2 2 326.843 3.024 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C[C@@H](c2ccccc2)C1 ZINC000423188047 309389772 /nfs/dbraw/zinc/38/97/72/309389772.db2.gz QBSHHLMUKZTVNX-DXUGQKIESA-N 2 2 328.500 3.315 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423566264 309406461 /nfs/dbraw/zinc/40/64/61/309406461.db2.gz TXNKOHKPFKWXEQ-XHDPSFHLSA-N 2 2 327.241 3.307 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)C[C@H]2C1 ZINC000424304949 309437613 /nfs/dbraw/zinc/43/76/13/309437613.db2.gz RHEGAKCMDILTOL-XTKDNXAFSA-N 2 2 343.515 3.400 10 0 EGAELP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000425370562 309476737 /nfs/dbraw/zinc/47/67/37/309476737.db2.gz OOYGRTRBALFERY-OALUTQOASA-N 2 2 347.528 3.093 10 0 EGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427895745 309537694 /nfs/dbraw/zinc/53/76/94/309537694.db2.gz UHONKCDTXUXIJV-ZFWWWQNUSA-N 2 2 335.398 3.410 10 0 EGAELP CC[C@@H]([NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000447794381 309988502 /nfs/dbraw/zinc/98/85/02/309988502.db2.gz DICIBPUYONCKEC-GOSISDBHSA-N 2 2 332.488 3.220 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000449257352 310047985 /nfs/dbraw/zinc/04/79/85/310047985.db2.gz IKLWWFFYUQPNHN-NSHDSACASA-N 2 2 346.406 3.389 10 0 EGAELP CCC(CC)[C@H](C[NH2+][C@H](C)C1(OC)CCOCC1)[NH+]1CCCC1 ZINC000453094870 310257501 /nfs/dbraw/zinc/25/75/01/310257501.db2.gz UPKDQJGZNIEGNN-AEFFLSMTSA-N 2 2 326.525 3.061 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453318236 310270946 /nfs/dbraw/zinc/27/09/46/310270946.db2.gz LFMYWFNFAPDZPO-AQNXPRMDSA-N 2 2 338.499 3.436 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453318236 310270947 /nfs/dbraw/zinc/27/09/47/310270947.db2.gz LFMYWFNFAPDZPO-AQNXPRMDSA-N 2 2 338.499 3.436 10 0 EGAELP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000453397187 310274879 /nfs/dbraw/zinc/27/48/79/310274879.db2.gz VPZYJUKHLKRNBN-CRAIPNDOSA-N 2 2 328.460 3.022 10 0 EGAELP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000453397187 310274880 /nfs/dbraw/zinc/27/48/80/310274880.db2.gz VPZYJUKHLKRNBN-CRAIPNDOSA-N 2 2 328.460 3.022 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668795 310567615 /nfs/dbraw/zinc/56/76/15/310567615.db2.gz UDALYZNCFLWEQH-LLVKDONJSA-N 2 2 340.240 3.085 10 0 EGAELP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCOC1 ZINC000479480860 310875965 /nfs/dbraw/zinc/87/59/65/310875965.db2.gz TZXVDPCTLOETBU-MFNGEMCRSA-N 2 2 334.426 3.196 10 0 EGAELP Fc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000492174239 311224044 /nfs/dbraw/zinc/22/40/44/311224044.db2.gz ASHAIBYQSNUISJ-CQSZACIVSA-N 2 2 342.443 3.441 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490872 312285521 /nfs/dbraw/zinc/28/55/21/312285521.db2.gz UEKLRTGZMJYCLN-RPVQJOFSSA-N 2 2 346.862 3.049 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490872 312285523 /nfs/dbraw/zinc/28/55/23/312285523.db2.gz UEKLRTGZMJYCLN-RPVQJOFSSA-N 2 2 346.862 3.049 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000516187851 312313828 /nfs/dbraw/zinc/31/38/28/312313828.db2.gz KCGWEUCQVWCJFH-UHFFFAOYSA-N 2 2 347.286 3.073 10 0 EGAELP CCOc1c(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650570 312335318 /nfs/dbraw/zinc/33/53/18/312335318.db2.gz PVFJALLKGVJQDE-GOSISDBHSA-N 2 2 338.879 3.323 10 0 EGAELP CCOc1c(Cl)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650570 312335321 /nfs/dbraw/zinc/33/53/21/312335321.db2.gz PVFJALLKGVJQDE-GOSISDBHSA-N 2 2 338.879 3.323 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000518205835 312407574 /nfs/dbraw/zinc/40/75/74/312407574.db2.gz WLXHJTBFGXSSHJ-JYJNAYRXSA-N 2 2 332.492 3.088 10 0 EGAELP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1O ZINC000529670771 313383140 /nfs/dbraw/zinc/38/31/40/313383140.db2.gz WTXQXDTVTPCZAT-YJBOKZPZSA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1O ZINC000529670771 313383144 /nfs/dbraw/zinc/38/31/44/313383144.db2.gz WTXQXDTVTPCZAT-YJBOKZPZSA-N 2 2 332.488 3.328 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC000529671049 313383156 /nfs/dbraw/zinc/38/31/56/313383156.db2.gz XZDGVUAJVZOONR-GOSISDBHSA-N 2 2 330.472 3.438 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC000529671049 313383157 /nfs/dbraw/zinc/38/31/57/313383157.db2.gz XZDGVUAJVZOONR-GOSISDBHSA-N 2 2 330.472 3.438 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)[nH]1 ZINC000536573504 314125725 /nfs/dbraw/zinc/12/57/25/314125725.db2.gz XBFYKSYWCYUKDK-UHFFFAOYSA-N 2 2 335.411 3.372 10 0 EGAELP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000554051463 315295535 /nfs/dbraw/zinc/29/55/35/315295535.db2.gz YCLZLXLZPGNKCG-OALUTQOASA-N 2 2 346.515 3.312 10 0 EGAELP CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000554785017 315348913 /nfs/dbraw/zinc/34/89/13/315348913.db2.gz OHIGDZXAAMOVDR-HNNXBMFYSA-N 2 2 325.412 3.088 10 0 EGAELP CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000554785017 315348914 /nfs/dbraw/zinc/34/89/14/315348914.db2.gz OHIGDZXAAMOVDR-HNNXBMFYSA-N 2 2 325.412 3.088 10 0 EGAELP Cc1cc(C)c(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c(C)[nH+]1 ZINC000570184065 317020172 /nfs/dbraw/zinc/02/01/72/317020172.db2.gz NCVLRJUBBGWRGC-UHFFFAOYSA-N 2 2 342.487 3.282 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296186 317036154 /nfs/dbraw/zinc/03/61/54/317036154.db2.gz GHPQTRRKYUIMMZ-QGZVFWFLSA-N 2 2 336.483 3.483 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296186 317036156 /nfs/dbraw/zinc/03/61/56/317036156.db2.gz GHPQTRRKYUIMMZ-QGZVFWFLSA-N 2 2 336.483 3.483 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NCc1cccnc1N1CC[NH+](C)CC1 ZINC000572756086 317387762 /nfs/dbraw/zinc/38/77/62/317387762.db2.gz HOANCOCDPQIMOP-UHFFFAOYSA-N 2 2 347.466 3.302 10 0 EGAELP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151316686 454968092 /nfs/dbraw/zinc/96/80/92/454968092.db2.gz YBVFSEDYAWBAHC-DZGCQCFKSA-N 2 2 339.549 3.246 10 0 EGAELP CCOc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000581200839 325341226 /nfs/dbraw/zinc/34/12/26/325341226.db2.gz SUWTUBQCPPQCSK-UHFFFAOYSA-N 2 2 346.393 3.209 10 0 EGAELP C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656266 455219863 /nfs/dbraw/zinc/21/98/63/455219863.db2.gz ORWBBPZHHWZBLM-PQUAAJSLSA-N 2 2 340.471 3.218 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCCCCC1 ZINC000180664532 455221556 /nfs/dbraw/zinc/22/15/56/455221556.db2.gz CMRGVQXSQMXKOM-IRXDYDNUSA-N 2 2 340.471 3.314 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424274084 458600898 /nfs/dbraw/zinc/60/08/98/458600898.db2.gz VDZFQAQYKJNGGB-KBPBESRZSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424274084 458600908 /nfs/dbraw/zinc/60/09/08/458600908.db2.gz VDZFQAQYKJNGGB-KBPBESRZSA-N 2 2 326.868 3.110 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700526 458962327 /nfs/dbraw/zinc/96/23/27/458962327.db2.gz JJEJJKGPDCPNQC-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700526 458962333 /nfs/dbraw/zinc/96/23/33/458962333.db2.gz JJEJJKGPDCPNQC-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532239716 459052345 /nfs/dbraw/zinc/05/23/45/459052345.db2.gz WXAXSWQQZIIQHO-STQMWFEESA-N 2 2 343.284 3.451 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532239716 459052348 /nfs/dbraw/zinc/05/23/48/459052348.db2.gz WXAXSWQQZIIQHO-STQMWFEESA-N 2 2 343.284 3.451 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173380123 455276637 /nfs/dbraw/zinc/27/66/37/455276637.db2.gz QDMRNJSZUHNMGC-CZUORRHYSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173380123 455276643 /nfs/dbraw/zinc/27/66/43/455276643.db2.gz QDMRNJSZUHNMGC-CZUORRHYSA-N 2 2 341.293 3.211 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190444998 455319111 /nfs/dbraw/zinc/31/91/11/455319111.db2.gz QEIDDBUZONCSJO-CQSZACIVSA-N 2 2 343.500 3.077 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190444998 455319113 /nfs/dbraw/zinc/31/91/13/455319113.db2.gz QEIDDBUZONCSJO-CQSZACIVSA-N 2 2 343.500 3.077 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600712930 460574796 /nfs/dbraw/zinc/57/47/96/460574796.db2.gz ZPLNORRGAOZVTH-UKRRQHHQSA-N 2 2 332.444 3.016 10 0 EGAELP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000631835596 460577644 /nfs/dbraw/zinc/57/76/44/460577644.db2.gz VPEUREFCFAPJDC-SFHVURJKSA-N 2 2 325.456 3.364 10 0 EGAELP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000631835596 460577649 /nfs/dbraw/zinc/57/76/49/460577649.db2.gz VPEUREFCFAPJDC-SFHVURJKSA-N 2 2 325.456 3.364 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245758297 455374464 /nfs/dbraw/zinc/37/44/64/455374464.db2.gz ZUNNUZQFPHIKRC-AEFFLSMTSA-N 2 2 326.444 3.103 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245758297 455374468 /nfs/dbraw/zinc/37/44/68/455374468.db2.gz ZUNNUZQFPHIKRC-AEFFLSMTSA-N 2 2 326.444 3.103 10 0 EGAELP CCn1cc[nH+]c1CNc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000089310025 454135324 /nfs/dbraw/zinc/13/53/24/454135324.db2.gz PJZWLEKFVUKNPN-HZPDHXFCSA-N 2 2 328.460 3.124 10 0 EGAELP c1ccc(N2CCC([NH2+]CCc3cccc4cccnc43)CC2)[nH+]c1 ZINC000089883812 454224642 /nfs/dbraw/zinc/22/46/42/454224642.db2.gz VFUFBTGXWGUEBF-UHFFFAOYSA-N 2 2 332.451 3.431 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000090544948 454318693 /nfs/dbraw/zinc/31/86/93/454318693.db2.gz RHKRXTKXMARGLB-ZFMNYDKASA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000090544948 454318697 /nfs/dbraw/zinc/31/86/97/454318697.db2.gz RHKRXTKXMARGLB-ZFMNYDKASA-N 2 2 345.531 3.213 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1nc3cc(Cl)ccc3n1C)C2 ZINC000091315031 454426334 /nfs/dbraw/zinc/42/63/34/454426334.db2.gz PXSPASCOFRLKJU-JSGCOSHPSA-N 2 2 343.862 3.397 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623614418 460641367 /nfs/dbraw/zinc/64/13/67/460641367.db2.gz DXOCQWNNHWKCIR-QFBILLFUSA-N 2 2 329.488 3.400 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623614418 460641373 /nfs/dbraw/zinc/64/13/73/460641373.db2.gz DXOCQWNNHWKCIR-QFBILLFUSA-N 2 2 329.488 3.400 10 0 EGAELP COc1ccc2oc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)cc2c1 ZINC000123164162 454609067 /nfs/dbraw/zinc/60/90/67/454609067.db2.gz ALOWHUVOKVKQJL-UHFFFAOYSA-N 2 2 334.379 3.312 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000105896971 454666461 /nfs/dbraw/zinc/66/64/61/454666461.db2.gz WGKFJPXCRFVOCM-AWEZNQCLSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000105896971 454666465 /nfs/dbraw/zinc/66/64/65/454666465.db2.gz WGKFJPXCRFVOCM-AWEZNQCLSA-N 2 2 343.456 3.394 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000152945421 454745917 /nfs/dbraw/zinc/74/59/17/454745917.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000152945421 454745920 /nfs/dbraw/zinc/74/59/20/454745920.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000152945421 454745922 /nfs/dbraw/zinc/74/59/22/454745922.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000152945421 454745924 /nfs/dbraw/zinc/74/59/24/454745924.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 3 2 327.516 3.258 10 0 EGAELP C[N@H+](Cc1ccc2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000124613081 454753401 /nfs/dbraw/zinc/75/34/01/454753401.db2.gz NVGQOIPCVVFTIF-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP C[N@@H+](Cc1ccc2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000124613081 454753406 /nfs/dbraw/zinc/75/34/06/454753406.db2.gz NVGQOIPCVVFTIF-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000125173446 454801881 /nfs/dbraw/zinc/80/18/81/454801881.db2.gz ZZCMYGISPYUXIX-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000125173446 454801885 /nfs/dbraw/zinc/80/18/85/454801885.db2.gz ZZCMYGISPYUXIX-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100215 454823370 /nfs/dbraw/zinc/82/33/70/454823370.db2.gz OIXZUWNVRPGFPO-OAHLLOKOSA-N 2 2 339.361 3.489 10 0 EGAELP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100215 454823372 /nfs/dbraw/zinc/82/33/72/454823372.db2.gz OIXZUWNVRPGFPO-OAHLLOKOSA-N 2 2 339.361 3.489 10 0 EGAELP CCOc1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163595359 454857549 /nfs/dbraw/zinc/85/75/49/454857549.db2.gz FSVXOOSCVUIPNB-UHFFFAOYSA-N 2 2 346.394 3.221 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605235 454940506 /nfs/dbraw/zinc/94/05/06/454940506.db2.gz ZKYJSVSYVNXLMQ-CQSZACIVSA-N 2 2 348.410 3.112 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000151259716 454960028 /nfs/dbraw/zinc/96/00/28/454960028.db2.gz FJCUWMMYFIYTJF-KGLIPLIRSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)[nH+]1 ZINC000114717284 454972977 /nfs/dbraw/zinc/97/29/77/454972977.db2.gz UCMLKVNPRDILDY-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)[nH+]1 ZINC000114717284 454972980 /nfs/dbraw/zinc/97/29/80/454972980.db2.gz UCMLKVNPRDILDY-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP c1ccc2c(c1)NC[C@H]2CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000635017518 460657794 /nfs/dbraw/zinc/65/77/94/460657794.db2.gz DTLQCOYRPYQTKH-GOSISDBHSA-N 2 2 336.483 3.235 10 0 EGAELP C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)Cn1cc[nH+]c1 ZINC000156572641 455133997 /nfs/dbraw/zinc/13/39/97/455133997.db2.gz LPOAJNIECRQTEX-LLVKDONJSA-N 2 2 326.213 3.211 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156643431 455140629 /nfs/dbraw/zinc/14/06/29/455140629.db2.gz ITRKWHLYOUFHRZ-BQJIDLTASA-N 2 2 341.499 3.283 10 0 EGAELP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156643431 455140632 /nfs/dbraw/zinc/14/06/32/455140632.db2.gz ITRKWHLYOUFHRZ-BQJIDLTASA-N 2 2 341.499 3.283 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccs1 ZINC000180564758 455197831 /nfs/dbraw/zinc/19/78/31/455197831.db2.gz HVSFCPHMRDEXCF-ZIAGYGMSSA-N 2 2 331.489 3.290 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000180572452 455200197 /nfs/dbraw/zinc/20/01/97/455200197.db2.gz VUYMYSDLXRBDHK-UONOGXRCSA-N 2 2 331.489 3.208 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)cc(F)c2)nc[nH+]1 ZINC000180575142 455200667 /nfs/dbraw/zinc/20/06/67/455200667.db2.gz MNBVOOACFUCTLM-BLLLJJGKSA-N 2 2 347.413 3.116 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245431872 455296795 /nfs/dbraw/zinc/29/67/95/455296795.db2.gz OHYYGECNZJMSSM-APWZRJJASA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245431872 455296798 /nfs/dbraw/zinc/29/67/98/455296798.db2.gz OHYYGECNZJMSSM-APWZRJJASA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245431872 455296807 /nfs/dbraw/zinc/29/68/07/455296807.db2.gz OHYYGECNZJMSSM-APWZRJJASA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245431872 455296809 /nfs/dbraw/zinc/29/68/09/455296809.db2.gz OHYYGECNZJMSSM-APWZRJJASA-N 2 2 345.531 3.412 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648222 455347785 /nfs/dbraw/zinc/34/77/85/455347785.db2.gz JHJSDWUUCLUUSU-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648222 455347790 /nfs/dbraw/zinc/34/77/90/455347790.db2.gz JHJSDWUUCLUUSU-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648222 455347796 /nfs/dbraw/zinc/34/77/96/455347796.db2.gz JHJSDWUUCLUUSU-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648222 455347802 /nfs/dbraw/zinc/34/78/02/455347802.db2.gz JHJSDWUUCLUUSU-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Br)C1 ZINC000181527054 455350347 /nfs/dbraw/zinc/35/03/47/455350347.db2.gz WFTZXKLGKHTELS-STQMWFEESA-N 2 2 341.293 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Br)C1 ZINC000181527054 455350351 /nfs/dbraw/zinc/35/03/51/455350351.db2.gz WFTZXKLGKHTELS-STQMWFEESA-N 2 2 341.293 3.450 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729798 455366670 /nfs/dbraw/zinc/36/66/70/455366670.db2.gz JMZUPQWDZXHUDT-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729798 455366676 /nfs/dbraw/zinc/36/66/76/455366676.db2.gz JMZUPQWDZXHUDT-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729798 455366682 /nfs/dbraw/zinc/36/66/82/455366682.db2.gz JMZUPQWDZXHUDT-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729798 455366686 /nfs/dbraw/zinc/36/66/86/455366686.db2.gz JMZUPQWDZXHUDT-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270824 455461655 /nfs/dbraw/zinc/46/16/55/455461655.db2.gz ADSOOPNRNNHGPE-GHTZIAJQSA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270824 455461660 /nfs/dbraw/zinc/46/16/60/455461660.db2.gz ADSOOPNRNNHGPE-GHTZIAJQSA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270824 455461664 /nfs/dbraw/zinc/46/16/64/455461664.db2.gz ADSOOPNRNNHGPE-GHTZIAJQSA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270824 455461668 /nfs/dbraw/zinc/46/16/68/455461668.db2.gz ADSOOPNRNNHGPE-GHTZIAJQSA-N 2 2 336.483 3.321 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)[C@H](C)C1 ZINC000175725906 455488560 /nfs/dbraw/zinc/48/85/60/455488560.db2.gz PPIRHGFCQFVTCZ-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)[C@H](C)C1 ZINC000175725906 455488565 /nfs/dbraw/zinc/48/85/65/455488565.db2.gz PPIRHGFCQFVTCZ-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2)[C@H](C)C1 ZINC000175725906 455488569 /nfs/dbraw/zinc/48/85/69/455488569.db2.gz PPIRHGFCQFVTCZ-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2)[C@H](C)C1 ZINC000175725906 455488574 /nfs/dbraw/zinc/48/85/74/455488574.db2.gz PPIRHGFCQFVTCZ-IUODEOHRSA-N 2 2 326.282 3.006 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1nccs1 ZINC000185116942 455505232 /nfs/dbraw/zinc/50/52/32/455505232.db2.gz JRTPWLDPVFYRLN-CABCVRRESA-N 2 2 344.484 3.211 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000192018120 455543647 /nfs/dbraw/zinc/54/36/47/455543647.db2.gz LDERLTZCCNXVOO-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000192018120 455543651 /nfs/dbraw/zinc/54/36/51/455543651.db2.gz LDERLTZCCNXVOO-QGZVFWFLSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944373 455657913 /nfs/dbraw/zinc/65/79/13/455657913.db2.gz DILYSCCDZNZVTE-PKOBYXMFSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944373 455657916 /nfs/dbraw/zinc/65/79/16/455657916.db2.gz DILYSCCDZNZVTE-PKOBYXMFSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247944373 455657918 /nfs/dbraw/zinc/65/79/18/455657918.db2.gz DILYSCCDZNZVTE-PKOBYXMFSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247944373 455657921 /nfs/dbraw/zinc/65/79/21/455657921.db2.gz DILYSCCDZNZVTE-PKOBYXMFSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540294 460692902 /nfs/dbraw/zinc/69/29/02/460692902.db2.gz GGFPECGJFJTTQV-KNQAVFIVSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540294 460692905 /nfs/dbraw/zinc/69/29/05/460692905.db2.gz GGFPECGJFJTTQV-KNQAVFIVSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000606540294 460692908 /nfs/dbraw/zinc/69/29/08/460692908.db2.gz GGFPECGJFJTTQV-KNQAVFIVSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000606540294 460692911 /nfs/dbraw/zinc/69/29/11/460692911.db2.gz GGFPECGJFJTTQV-KNQAVFIVSA-N 2 2 340.511 3.351 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000250112900 455784477 /nfs/dbraw/zinc/78/44/77/455784477.db2.gz TZASRVPUKUYNEF-DNVCBOLYSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000250112900 455784480 /nfs/dbraw/zinc/78/44/80/455784480.db2.gz TZASRVPUKUYNEF-DNVCBOLYSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000253351279 455833385 /nfs/dbraw/zinc/83/33/85/455833385.db2.gz IYZOHWNCSARSJI-KDOFPFPSSA-N 2 2 331.485 3.324 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000253351279 455833388 /nfs/dbraw/zinc/83/33/88/455833388.db2.gz IYZOHWNCSARSJI-KDOFPFPSSA-N 2 2 331.485 3.324 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000606580564 460700194 /nfs/dbraw/zinc/70/01/94/460700194.db2.gz UHHDDQXFEWBVPG-UHFFFAOYSA-N 2 2 349.438 3.074 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000606580564 460700196 /nfs/dbraw/zinc/70/01/96/460700196.db2.gz UHHDDQXFEWBVPG-UHFFFAOYSA-N 2 2 349.438 3.074 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000296344135 455914138 /nfs/dbraw/zinc/91/41/38/455914138.db2.gz IOGMXWVJDZLYBW-QMTHXVAHSA-N 2 2 338.224 3.450 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195292785 455941534 /nfs/dbraw/zinc/94/15/34/455941534.db2.gz KSRZSKKYODMUNL-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195292785 455941536 /nfs/dbraw/zinc/94/15/36/455941536.db2.gz KSRZSKKYODMUNL-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000195292785 455941540 /nfs/dbraw/zinc/94/15/40/455941540.db2.gz KSRZSKKYODMUNL-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000623753695 460705005 /nfs/dbraw/zinc/70/50/05/460705005.db2.gz CIVRVDTYUHYTKE-PKOBYXMFSA-N 2 2 334.891 3.462 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271167616 456151208 /nfs/dbraw/zinc/15/12/08/456151208.db2.gz BVQQZXQLROIIRD-UHFFFAOYSA-N 2 2 343.381 3.458 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289853033 456156363 /nfs/dbraw/zinc/15/63/63/456156363.db2.gz PTZWINBAGXDXGZ-IBGZPJMESA-N 2 2 344.434 3.238 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000289853033 456156371 /nfs/dbraw/zinc/15/63/71/456156371.db2.gz PTZWINBAGXDXGZ-IBGZPJMESA-N 2 2 344.434 3.238 10 0 EGAELP CC1(C)Cc2cc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)ccc2O1 ZINC000236695520 456169792 /nfs/dbraw/zinc/16/97/92/456169792.db2.gz LCBCIIVIPLREGE-UHFFFAOYSA-N 2 2 334.423 3.271 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1n1cc[nH+]c1 ZINC000271244759 456189097 /nfs/dbraw/zinc/18/90/97/456189097.db2.gz GTCMUBGVXKOSFN-FVQBIDKESA-N 2 2 332.473 3.274 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1n1cc[nH+]c1 ZINC000271244759 456189100 /nfs/dbraw/zinc/18/91/00/456189100.db2.gz GTCMUBGVXKOSFN-FVQBIDKESA-N 2 2 332.473 3.274 10 0 EGAELP Cc1cn2ccc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620651575 460721647 /nfs/dbraw/zinc/72/16/47/460721647.db2.gz QNUKLEHMIQTYLH-UHFFFAOYSA-N 2 2 334.423 3.030 10 0 EGAELP Cc1cn2ccc(NC(=O)CC[N@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620651575 460721652 /nfs/dbraw/zinc/72/16/52/460721652.db2.gz QNUKLEHMIQTYLH-UHFFFAOYSA-N 2 2 334.423 3.030 10 0 EGAELP CSC1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCC1 ZINC000290322538 456290731 /nfs/dbraw/zinc/29/07/31/456290731.db2.gz AAVMEPTUKVZQQN-UHFFFAOYSA-N 2 2 334.533 3.310 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000298346352 456431074 /nfs/dbraw/zinc/43/10/74/456431074.db2.gz BROQMIDOKSQEQQ-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000298346352 456431078 /nfs/dbraw/zinc/43/10/78/456431078.db2.gz BROQMIDOKSQEQQ-ICSRJNTNSA-N 2 2 341.430 3.189 10 0 EGAELP CN(C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000298494343 456471621 /nfs/dbraw/zinc/47/16/21/456471621.db2.gz JRTIYZRYGNMRDS-CTNGQTDRSA-N 2 2 337.467 3.075 10 0 EGAELP CN(C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000298494343 456471624 /nfs/dbraw/zinc/47/16/24/456471624.db2.gz JRTIYZRYGNMRDS-CTNGQTDRSA-N 2 2 337.467 3.075 10 0 EGAELP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000348101045 456480632 /nfs/dbraw/zinc/48/06/32/456480632.db2.gz HLVOROXUFPPSNQ-PXNSSMCTSA-N 2 2 349.482 3.091 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777249 462263604 /nfs/dbraw/zinc/26/36/04/462263604.db2.gz OCUPSPKPSAEXKW-NVXWUHKLSA-N 2 2 338.442 3.037 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777249 462263608 /nfs/dbraw/zinc/26/36/08/462263608.db2.gz OCUPSPKPSAEXKW-NVXWUHKLSA-N 2 2 338.442 3.037 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203946 456557746 /nfs/dbraw/zinc/55/77/46/456557746.db2.gz CEYUEFWIJLWLMP-IAQYHMDHSA-N 2 2 336.277 3.013 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203946 456557753 /nfs/dbraw/zinc/55/77/53/456557753.db2.gz CEYUEFWIJLWLMP-IAQYHMDHSA-N 2 2 336.277 3.013 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000353227202 456572974 /nfs/dbraw/zinc/57/29/74/456572974.db2.gz AXQBUQHERPKOPP-HMXCVIKNSA-N 2 2 343.515 3.231 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1O ZINC000353390457 456668347 /nfs/dbraw/zinc/66/83/47/456668347.db2.gz URNILWVOKGRKFP-AWEZNQCLSA-N 2 2 327.428 3.115 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394585 456793152 /nfs/dbraw/zinc/79/31/52/456793152.db2.gz BPOJQZWBCCBPND-INIZCTEOSA-N 2 2 332.835 3.339 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338394585 456793160 /nfs/dbraw/zinc/79/31/60/456793160.db2.gz BPOJQZWBCCBPND-INIZCTEOSA-N 2 2 332.835 3.339 10 0 EGAELP CCOc1c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744505 456884206 /nfs/dbraw/zinc/88/42/06/456884206.db2.gz GHGXVIZMMJREQV-DOTOQJQBSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744505 456884210 /nfs/dbraw/zinc/88/42/10/456884210.db2.gz GHGXVIZMMJREQV-DOTOQJQBSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744505 456884213 /nfs/dbraw/zinc/88/42/13/456884213.db2.gz GHGXVIZMMJREQV-DOTOQJQBSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)nn1CC(C)C ZINC000353744505 456884217 /nfs/dbraw/zinc/88/42/17/456884217.db2.gz GHGXVIZMMJREQV-DOTOQJQBSA-N 2 2 336.524 3.161 10 0 EGAELP C[NH+](C)[C@]1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCSC1 ZINC000339068006 456925510 /nfs/dbraw/zinc/92/55/10/456925510.db2.gz OZUAXRNTLAQKGB-QRQLOZEOSA-N 2 2 334.529 3.181 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)OC(C)C ZINC000349352807 456950664 /nfs/dbraw/zinc/95/06/64/456950664.db2.gz IBPQIWSBUFCNFH-CVAIRZPRSA-N 2 2 332.488 3.234 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)OC(C)C ZINC000349352807 456950665 /nfs/dbraw/zinc/95/06/65/456950665.db2.gz IBPQIWSBUFCNFH-CVAIRZPRSA-N 2 2 332.488 3.234 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000339261772 457027198 /nfs/dbraw/zinc/02/71/98/457027198.db2.gz MGDGIFKBUSJXAR-GOSISDBHSA-N 2 2 348.450 3.493 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000339261772 457027203 /nfs/dbraw/zinc/02/72/03/457027203.db2.gz MGDGIFKBUSJXAR-GOSISDBHSA-N 2 2 348.450 3.493 10 0 EGAELP CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[nH]1 ZINC000362989855 457185814 /nfs/dbraw/zinc/18/58/14/457185814.db2.gz LKZDUCNIIPRZLO-OCCSQVGLSA-N 2 2 339.447 3.058 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342589146 457384386 /nfs/dbraw/zinc/38/43/86/457384386.db2.gz LTDKLZKHWMWMEB-HZPDHXFCSA-N 2 2 340.471 3.163 10 0 EGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374200459 457518933 /nfs/dbraw/zinc/51/89/33/457518933.db2.gz PWMGJDDNNNMCLH-SFHVURJKSA-N 2 2 342.443 3.015 10 0 EGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374200459 457518936 /nfs/dbraw/zinc/51/89/36/457518936.db2.gz PWMGJDDNNNMCLH-SFHVURJKSA-N 2 2 342.443 3.015 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201066 457520857 /nfs/dbraw/zinc/52/08/57/457520857.db2.gz SWKZSKDZPOCRKL-UHFFFAOYSA-N 2 2 332.835 3.190 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057729 457655614 /nfs/dbraw/zinc/65/56/14/457655614.db2.gz HZLTWOYFTBGXQZ-PKOBYXMFSA-N 2 2 328.500 3.354 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057729 457655619 /nfs/dbraw/zinc/65/56/19/457655619.db2.gz HZLTWOYFTBGXQZ-PKOBYXMFSA-N 2 2 328.500 3.354 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000361285545 457678739 /nfs/dbraw/zinc/67/87/39/457678739.db2.gz DIMXPJZYALGOCU-WBVHZDCISA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000361285545 457678744 /nfs/dbraw/zinc/67/87/44/457678744.db2.gz DIMXPJZYALGOCU-WBVHZDCISA-N 2 2 342.487 3.101 10 0 EGAELP Cc1cn2c([nH+]1)CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000374699538 457690527 /nfs/dbraw/zinc/69/05/27/457690527.db2.gz LRWIIKYYONHPDW-UHFFFAOYSA-N 2 2 326.488 3.165 10 0 EGAELP Cc1cn2c([nH+]1)CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000374699538 457690530 /nfs/dbraw/zinc/69/05/30/457690530.db2.gz LRWIIKYYONHPDW-UHFFFAOYSA-N 2 2 326.488 3.165 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000361352424 457702627 /nfs/dbraw/zinc/70/26/27/457702627.db2.gz DGBFELPVHPMVNO-MRXNPFEDSA-N 2 2 343.393 3.370 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292359 457915256 /nfs/dbraw/zinc/91/52/56/457915256.db2.gz VQAFYNXCIXRQRR-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292359 457915265 /nfs/dbraw/zinc/91/52/65/457915265.db2.gz VQAFYNXCIXRQRR-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H](C)C1 ZINC000358311334 457926651 /nfs/dbraw/zinc/92/66/51/457926651.db2.gz YTULHUUUEPLSKX-YLJYHZDGSA-N 2 2 348.535 3.225 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H](C)C1 ZINC000358311334 457926655 /nfs/dbraw/zinc/92/66/55/457926655.db2.gz YTULHUUUEPLSKX-YLJYHZDGSA-N 2 2 348.535 3.225 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C[NH+]1CCOCC1 ZINC000361890786 457935048 /nfs/dbraw/zinc/93/50/48/457935048.db2.gz GEMINHWGLPYDPO-QZTJIDSGSA-N 2 2 339.483 3.368 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398496 458152286 /nfs/dbraw/zinc/15/22/86/458152286.db2.gz RMADXKPISPANLY-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398496 458152290 /nfs/dbraw/zinc/15/22/90/458152290.db2.gz RMADXKPISPANLY-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398496 458152293 /nfs/dbraw/zinc/15/22/93/458152293.db2.gz RMADXKPISPANLY-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398496 458152297 /nfs/dbraw/zinc/15/22/97/458152297.db2.gz RMADXKPISPANLY-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000372131557 458204168 /nfs/dbraw/zinc/20/41/68/458204168.db2.gz HOZNQWDKVKXOLQ-UHFFFAOYSA-N 2 2 343.381 3.253 10 0 EGAELP CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000446891158 458241907 /nfs/dbraw/zinc/24/19/07/458241907.db2.gz UUUHMVRFMVVYKQ-GOSISDBHSA-N 2 2 347.484 3.345 10 0 EGAELP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000446891158 458241913 /nfs/dbraw/zinc/24/19/13/458241913.db2.gz UUUHMVRFMVVYKQ-GOSISDBHSA-N 2 2 347.484 3.345 10 0 EGAELP COc1cc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)n1 ZINC000447062311 458259671 /nfs/dbraw/zinc/25/96/71/458259671.db2.gz YYDRSCPTALLAOI-UHFFFAOYSA-N 2 2 341.455 3.454 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543919 458308447 /nfs/dbraw/zinc/30/84/47/458308447.db2.gz UBTUVTDLIWIWJC-MXEMCNAFSA-N 3 2 327.516 3.112 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447543919 458308452 /nfs/dbraw/zinc/30/84/52/458308452.db2.gz UBTUVTDLIWIWJC-MXEMCNAFSA-N 3 2 327.516 3.112 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000376595758 458348161 /nfs/dbraw/zinc/34/81/61/458348161.db2.gz QQKZUWACYDPBKR-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000376595758 458348165 /nfs/dbraw/zinc/34/81/65/458348165.db2.gz QQKZUWACYDPBKR-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794098 458390957 /nfs/dbraw/zinc/39/09/57/458390957.db2.gz LLSQJKSHSSBANK-OXJNMPFZSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794098 458390964 /nfs/dbraw/zinc/39/09/64/458390964.db2.gz LLSQJKSHSSBANK-OXJNMPFZSA-N 2 2 336.483 3.322 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000430234544 458425464 /nfs/dbraw/zinc/42/54/64/458425464.db2.gz ALMDBGOTNFIQIV-UHFFFAOYSA-N 2 2 349.438 3.255 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000459671351 458443134 /nfs/dbraw/zinc/44/31/34/458443134.db2.gz WQBFCNFUUUMQQT-UHFFFAOYSA-N 2 2 337.851 3.203 10 0 EGAELP [NH3+]C1(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423518240 458449989 /nfs/dbraw/zinc/44/99/89/458449989.db2.gz CCYADRJISGWSGA-UWWUERRMSA-N 2 2 336.483 3.242 10 0 EGAELP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1nc2ccccc2n1C ZINC000423522532 458451743 /nfs/dbraw/zinc/45/17/43/458451743.db2.gz HPJYBMIZYUIJQL-XMYZRKPFSA-N 2 2 338.499 3.378 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273259 458522434 /nfs/dbraw/zinc/52/24/34/458522434.db2.gz VNKNMABJPJXLLU-XJKSGUPXSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273259 458522440 /nfs/dbraw/zinc/52/24/40/458522440.db2.gz VNKNMABJPJXLLU-XJKSGUPXSA-N 2 2 340.920 3.313 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438096463 458532419 /nfs/dbraw/zinc/53/24/19/458532419.db2.gz JHWGDAFDSNVKFB-PZJWPPBQSA-N 2 2 338.499 3.048 10 0 EGAELP Cc1nc2ccc(C[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)cc2s1 ZINC000494322166 458658010 /nfs/dbraw/zinc/65/80/10/458658010.db2.gz FHASESBTZXGGCN-MRXNPFEDSA-N 2 2 333.501 3.051 10 0 EGAELP Cc1nc2ccc(C[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2s1 ZINC000494322166 458658016 /nfs/dbraw/zinc/65/80/16/458658016.db2.gz FHASESBTZXGGCN-MRXNPFEDSA-N 2 2 333.501 3.051 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530179222 458710054 /nfs/dbraw/zinc/71/00/54/458710054.db2.gz QZFODCTYRZDUMA-CYBMUJFWSA-N 2 2 329.669 3.477 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218305 458721688 /nfs/dbraw/zinc/72/16/88/458721688.db2.gz IPLXSDHNVFITNJ-GJZGRUSLSA-N 2 2 326.362 3.447 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236141 458726316 /nfs/dbraw/zinc/72/63/16/458726316.db2.gz LAZSZRZRXNASCG-RBUKOAKNSA-N 2 2 336.907 3.240 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236141 458726324 /nfs/dbraw/zinc/72/63/24/458726324.db2.gz LAZSZRZRXNASCG-RBUKOAKNSA-N 2 2 336.907 3.240 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242025 458727354 /nfs/dbraw/zinc/72/73/54/458727354.db2.gz GGJNKFKMHYLKNU-YADHBBJMSA-N 2 2 338.495 3.350 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242025 458727364 /nfs/dbraw/zinc/72/73/64/458727364.db2.gz GGJNKFKMHYLKNU-YADHBBJMSA-N 2 2 338.495 3.350 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242022 458727971 /nfs/dbraw/zinc/72/79/71/458727971.db2.gz GGJNKFKMHYLKNU-FCHUYYIVSA-N 2 2 338.495 3.350 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242022 458727978 /nfs/dbraw/zinc/72/79/78/458727978.db2.gz GGJNKFKMHYLKNU-FCHUYYIVSA-N 2 2 338.495 3.350 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441370128 458929449 /nfs/dbraw/zinc/92/94/49/458929449.db2.gz GLYWHOCIODIHPD-JENIJYKNSA-N 2 2 342.487 3.134 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)C(F)(F)F)CCCC1)c1ccccc1 ZINC000576862875 458937419 /nfs/dbraw/zinc/93/74/19/458937419.db2.gz GBVSGWWPJWOPSH-HIFRSBDPSA-N 2 2 330.394 3.163 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC=CCC2)cc1 ZINC000475491145 458947927 /nfs/dbraw/zinc/94/79/27/458947927.db2.gz HDGSWLCJQJGSQK-KRWDZBQOSA-N 2 2 329.488 3.379 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC=CCC2)cc1 ZINC000475491145 458947935 /nfs/dbraw/zinc/94/79/35/458947935.db2.gz HDGSWLCJQJGSQK-KRWDZBQOSA-N 2 2 329.488 3.379 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683416 458960586 /nfs/dbraw/zinc/96/05/86/458960586.db2.gz JSTGRJGEFHGDBB-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683416 458960595 /nfs/dbraw/zinc/96/05/95/458960595.db2.gz JSTGRJGEFHGDBB-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683416 458960602 /nfs/dbraw/zinc/96/06/02/458960602.db2.gz JSTGRJGEFHGDBB-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683416 458960609 /nfs/dbraw/zinc/96/06/09/458960609.db2.gz JSTGRJGEFHGDBB-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000519636423 458980041 /nfs/dbraw/zinc/98/00/41/458980041.db2.gz FPTILKLOVKLLRT-CQSZACIVSA-N 2 2 329.410 3.185 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442712303 459025454 /nfs/dbraw/zinc/02/54/54/459025454.db2.gz URJSJWIQBJRTOJ-MSOLQXFVSA-N 2 2 333.479 3.398 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000594493712 459058977 /nfs/dbraw/zinc/05/89/77/459058977.db2.gz ILUXIFLBXFFCOB-QRVBRYPASA-N 2 2 328.456 3.067 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000594493712 459058981 /nfs/dbraw/zinc/05/89/81/459058981.db2.gz ILUXIFLBXFFCOB-QRVBRYPASA-N 2 2 328.456 3.067 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000594611971 459112059 /nfs/dbraw/zinc/11/20/59/459112059.db2.gz RKOKLLJJYUREFD-AWEZNQCLSA-N 2 2 346.462 3.208 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851534 459177029 /nfs/dbraw/zinc/17/70/29/459177029.db2.gz OBPFZGYUQNYEQD-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851534 459177036 /nfs/dbraw/zinc/17/70/36/459177036.db2.gz OBPFZGYUQNYEQD-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578359731 459187430 /nfs/dbraw/zinc/18/74/30/459187430.db2.gz ZYSZKLXGNZWVNC-KKSFZXQISA-N 2 2 337.467 3.242 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578359731 459187434 /nfs/dbraw/zinc/18/74/34/459187434.db2.gz ZYSZKLXGNZWVNC-KKSFZXQISA-N 2 2 337.467 3.242 10 0 EGAELP CC1CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615851 459210006 /nfs/dbraw/zinc/21/00/06/459210006.db2.gz UANUXUCLEMEBHT-TZIWHRDSSA-N 2 2 329.532 3.219 10 0 EGAELP CC1CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615851 459210010 /nfs/dbraw/zinc/21/00/10/459210010.db2.gz UANUXUCLEMEBHT-TZIWHRDSSA-N 2 2 329.532 3.219 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000595018878 459218560 /nfs/dbraw/zinc/21/85/60/459218560.db2.gz UAFQWMVAPNFZOG-MRXNPFEDSA-N 2 2 347.503 3.004 10 0 EGAELP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819490 459232870 /nfs/dbraw/zinc/23/28/70/459232870.db2.gz POWRSGSQRJUJBZ-OALUTQOASA-N 2 2 344.499 3.414 10 0 EGAELP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819490 459232875 /nfs/dbraw/zinc/23/28/75/459232875.db2.gz POWRSGSQRJUJBZ-OALUTQOASA-N 2 2 344.499 3.414 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C)(C)C(F)(F)F)c2cc1C ZINC000568383345 459279299 /nfs/dbraw/zinc/27/92/99/459279299.db2.gz CLNPGLUSQLVEFZ-CYBMUJFWSA-N 2 2 343.393 3.192 10 0 EGAELP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1Cl ZINC000591081407 459307806 /nfs/dbraw/zinc/30/78/06/459307806.db2.gz BBLWNUDYOJXCBN-CQSZACIVSA-N 2 2 332.835 3.202 10 0 EGAELP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1Cl ZINC000591081407 459307811 /nfs/dbraw/zinc/30/78/11/459307811.db2.gz BBLWNUDYOJXCBN-CQSZACIVSA-N 2 2 332.835 3.202 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473950 459389960 /nfs/dbraw/zinc/38/99/60/459389960.db2.gz NHLJDDOWTPEHQA-PZJWPPBQSA-N 2 2 342.458 3.108 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473950 459389961 /nfs/dbraw/zinc/38/99/61/459389961.db2.gz NHLJDDOWTPEHQA-PZJWPPBQSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473950 459389964 /nfs/dbraw/zinc/38/99/64/459389964.db2.gz NHLJDDOWTPEHQA-PZJWPPBQSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473950 459389965 /nfs/dbraw/zinc/38/99/65/459389965.db2.gz NHLJDDOWTPEHQA-PZJWPPBQSA-N 2 2 342.458 3.108 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)co2)cc1F ZINC000582789432 459427720 /nfs/dbraw/zinc/42/77/20/459427720.db2.gz ZJXFWDWCDDYFGX-SFHVURJKSA-N 2 2 333.382 3.195 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)co2)cc1F ZINC000582789432 459427724 /nfs/dbraw/zinc/42/77/24/459427724.db2.gz ZJXFWDWCDDYFGX-SFHVURJKSA-N 2 2 333.382 3.195 10 0 EGAELP Cc1cc(Br)cn2cc(CC[NH2+]CC3(F)CC3)[nH+]c12 ZINC000525993752 459528194 /nfs/dbraw/zinc/52/81/94/459528194.db2.gz BTMMRQCUHAZUKC-UHFFFAOYSA-N 2 2 326.213 3.039 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526084428 459544854 /nfs/dbraw/zinc/54/48/54/459544854.db2.gz QPZVYALAVKZAJG-HXUWFJFHSA-N 2 2 338.499 3.382 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526084428 459544859 /nfs/dbraw/zinc/54/48/59/459544859.db2.gz QPZVYALAVKZAJG-HXUWFJFHSA-N 2 2 338.499 3.382 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526084428 459544869 /nfs/dbraw/zinc/54/48/69/459544869.db2.gz QPZVYALAVKZAJG-HXUWFJFHSA-N 2 2 338.499 3.382 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573121453 459629567 /nfs/dbraw/zinc/62/95/67/459629567.db2.gz DBRLSXSHIWXTOJ-RBBKRZOGSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573121453 459629575 /nfs/dbraw/zinc/62/95/75/459629575.db2.gz DBRLSXSHIWXTOJ-RBBKRZOGSA-N 2 2 349.478 3.442 10 0 EGAELP Cc1c[nH]c(-c2ccccc2NC(=O)CCN(C)c2cc[nH+]cc2)[nH+]1 ZINC000543714174 459687803 /nfs/dbraw/zinc/68/78/03/459687803.db2.gz LSFPEKAHVLWUIT-UHFFFAOYSA-N 2 2 335.411 3.245 10 0 EGAELP Clc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000592809844 459694388 /nfs/dbraw/zinc/69/43/88/459694388.db2.gz CVTHAJIVQJRWPH-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1cccc(-c2nnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000592809844 459694391 /nfs/dbraw/zinc/69/43/91/459694391.db2.gz CVTHAJIVQJRWPH-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409318 459730278 /nfs/dbraw/zinc/73/02/78/459730278.db2.gz BRSHGXKKXBRVBF-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409318 459730282 /nfs/dbraw/zinc/73/02/82/459730282.db2.gz BRSHGXKKXBRVBF-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409318 459730292 /nfs/dbraw/zinc/73/02/92/459730292.db2.gz BRSHGXKKXBRVBF-UXHICEINSA-N 3 2 327.516 3.115 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849975 459758527 /nfs/dbraw/zinc/75/85/27/459758527.db2.gz JPLZXCRNNABCCR-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849975 459758533 /nfs/dbraw/zinc/75/85/33/459758533.db2.gz JPLZXCRNNABCCR-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP C[S@@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779644 459801369 /nfs/dbraw/zinc/80/13/69/459801369.db2.gz HOKPWGSUKBAWSW-HOYKHHGWSA-N 2 2 346.540 3.074 10 0 EGAELP C[S@@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779644 459801373 /nfs/dbraw/zinc/80/13/73/459801373.db2.gz HOKPWGSUKBAWSW-HOYKHHGWSA-N 2 2 346.540 3.074 10 0 EGAELP CC(C)OC[C@@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000566118177 459808106 /nfs/dbraw/zinc/80/81/06/459808106.db2.gz XPJJHKJZDCDYEF-HKUYNNGSSA-N 2 2 334.504 3.026 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000625868594 460287918 /nfs/dbraw/zinc/28/79/18/460287918.db2.gz GNFTWUSSJRJVEX-WMLDXEAASA-N 2 2 341.459 3.222 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000623089375 460408875 /nfs/dbraw/zinc/40/88/75/460408875.db2.gz FHBTXAKJMSHEQP-GVDBMIGSSA-N 2 2 330.463 3.148 10 0 EGAELP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000623853434 460745183 /nfs/dbraw/zinc/74/51/83/460745183.db2.gz YGDSHVPJZOOTKU-KRWDZBQOSA-N 2 2 343.496 3.143 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000629523556 460794046 /nfs/dbraw/zinc/79/40/46/460794046.db2.gz GJAHOGILOMRKFP-OSAQELSMSA-N 2 2 343.393 3.153 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629536925 460798583 /nfs/dbraw/zinc/79/85/83/460798583.db2.gz GWADAPUXSBOSHP-ZTNFWEORSA-N 2 2 325.456 3.104 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C[NH2+]1 ZINC000629541750 460800730 /nfs/dbraw/zinc/80/07/30/460800730.db2.gz VCPSVTZQRIHNFF-RULNRJAQSA-N 2 2 327.241 3.306 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629538485 460801463 /nfs/dbraw/zinc/80/14/63/460801463.db2.gz MIHUEGWZPCQLIL-RLFYNMQTSA-N 2 2 332.492 3.351 10 0 EGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652411 460847005 /nfs/dbraw/zinc/84/70/05/460847005.db2.gz AHDUNSRZMZVPTJ-PGXISHIXSA-N 2 2 328.378 3.168 10 0 EGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652411 460847012 /nfs/dbraw/zinc/84/70/12/460847012.db2.gz AHDUNSRZMZVPTJ-PGXISHIXSA-N 2 2 328.378 3.168 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629660523 460853453 /nfs/dbraw/zinc/85/34/53/460853453.db2.gz VNGNINVHOZBBAZ-BLLLJJGKSA-N 2 2 332.879 3.373 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629659647 460853557 /nfs/dbraw/zinc/85/35/57/460853557.db2.gz DPMSIXOIARMPAN-UGSOOPFHSA-N 2 2 346.906 3.432 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000629664445 460855702 /nfs/dbraw/zinc/85/57/02/460855702.db2.gz JBYIUJZYZCMQMQ-BGYRXZFFSA-N 2 2 325.431 3.319 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000629664445 460855708 /nfs/dbraw/zinc/85/57/08/460855708.db2.gz JBYIUJZYZCMQMQ-BGYRXZFFSA-N 2 2 325.431 3.319 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000624256189 460932669 /nfs/dbraw/zinc/93/26/69/460932669.db2.gz FPVAQQACWYJUFK-QGZVFWFLSA-N 2 2 332.488 3.333 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)n1)C2 ZINC000624375616 460981530 /nfs/dbraw/zinc/98/15/30/460981530.db2.gz UTOPVBGIZQKLJM-RBUKOAKNSA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CCC[N@H+]4CCCC[C@H]34)n1)C2 ZINC000624375616 460981533 /nfs/dbraw/zinc/98/15/33/460981533.db2.gz UTOPVBGIZQKLJM-RBUKOAKNSA-N 2 2 349.482 3.426 10 0 EGAELP CCCC[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621331437 460991150 /nfs/dbraw/zinc/99/11/50/460991150.db2.gz ARWCFHYFXKAETL-UHFFFAOYSA-N 2 2 340.515 3.480 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313851 461033023 /nfs/dbraw/zinc/03/30/23/461033023.db2.gz OVHURUREDYGUOD-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313851 461033027 /nfs/dbraw/zinc/03/30/27/461033027.db2.gz OVHURUREDYGUOD-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000668109773 461107775 /nfs/dbraw/zinc/10/77/75/461107775.db2.gz MBZNHGGDPKWGFG-QGZVFWFLSA-N 2 2 327.472 3.021 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662282208 461166035 /nfs/dbraw/zinc/16/60/35/461166035.db2.gz NUSJWJSWRCLKKT-MJGOQNOKSA-N 2 2 330.859 3.202 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649587174 461197392 /nfs/dbraw/zinc/19/73/92/461197392.db2.gz CDIOMZJFFQSNCN-XLIONFOSSA-N 2 2 349.519 3.095 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649587174 461197401 /nfs/dbraw/zinc/19/74/01/461197401.db2.gz CDIOMZJFFQSNCN-XLIONFOSSA-N 2 2 349.519 3.095 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4n(n3)CCCC4)C2)n2c1CCCC2 ZINC000649600475 461208858 /nfs/dbraw/zinc/20/88/58/461208858.db2.gz JQLHAAOUNUPHMU-MRXNPFEDSA-N 2 2 339.487 3.132 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc4n(n3)CCCC4)C2)n2c1CCCC2 ZINC000649600475 461208866 /nfs/dbraw/zinc/20/88/66/461208866.db2.gz JQLHAAOUNUPHMU-MRXNPFEDSA-N 2 2 339.487 3.132 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000668432645 461280206 /nfs/dbraw/zinc/28/02/06/461280206.db2.gz WASHMHHBYHZJCB-FUHWJXTLSA-N 2 2 334.504 3.105 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000668432645 461280215 /nfs/dbraw/zinc/28/02/15/461280215.db2.gz WASHMHHBYHZJCB-FUHWJXTLSA-N 2 2 334.504 3.105 10 0 EGAELP CCCCc1[nH]c2ccc(NC(=O)c3cc(C(C)(C)[NH3+])no3)cc2[nH+]1 ZINC000662681196 461345427 /nfs/dbraw/zinc/34/54/27/461345427.db2.gz BPQBRVMNRYNHNG-UHFFFAOYSA-N 2 2 341.415 3.340 10 0 EGAELP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655768400 461433797 /nfs/dbraw/zinc/43/37/97/461433797.db2.gz YAAHQIANJBIDNU-YSIASYRMSA-N 2 2 344.499 3.075 10 0 EGAELP Cn1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000668785045 461434307 /nfs/dbraw/zinc/43/43/07/461434307.db2.gz LYOUOSMPZIILNU-IBGZPJMESA-N 2 2 348.535 3.010 10 0 EGAELP Cn1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000668785045 461434311 /nfs/dbraw/zinc/43/43/11/461434311.db2.gz LYOUOSMPZIILNU-IBGZPJMESA-N 2 2 348.535 3.010 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655789086 461447827 /nfs/dbraw/zinc/44/78/27/461447827.db2.gz VNBYWLPMSZKEBB-CVEARBPZSA-N 2 2 334.426 3.341 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c21 ZINC000642116136 461450497 /nfs/dbraw/zinc/45/04/97/461450497.db2.gz PDCSXFARCUPEAQ-LLVKDONJSA-N 2 2 336.374 3.357 10 0 EGAELP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@](C)(C(F)F)O1 ZINC000668822756 461452850 /nfs/dbraw/zinc/45/28/50/461452850.db2.gz ZWQBQULMIPWAJM-XHDPSFHLSA-N 2 2 327.400 3.178 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@](C)(C(F)F)O1 ZINC000668822756 461452854 /nfs/dbraw/zinc/45/28/54/461452854.db2.gz ZWQBQULMIPWAJM-XHDPSFHLSA-N 2 2 327.400 3.178 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208274 461470472 /nfs/dbraw/zinc/47/04/72/461470472.db2.gz VPWLCIPMYOHEOE-WBMJQRKESA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CC[C@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208274 461470479 /nfs/dbraw/zinc/47/04/79/461470479.db2.gz VPWLCIPMYOHEOE-WBMJQRKESA-N 2 2 339.418 3.171 10 0 EGAELP COc1cc(Cl)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000631125422 461572643 /nfs/dbraw/zinc/57/26/43/461572643.db2.gz JYCVZZGHANYDFZ-UHFFFAOYSA-N 2 2 338.879 3.464 10 0 EGAELP Clc1c(Br)cccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000631138930 461584522 /nfs/dbraw/zinc/58/45/22/461584522.db2.gz BMXASPIEAOPBEI-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1c(Br)cccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000631138930 461584530 /nfs/dbraw/zinc/58/45/30/461584530.db2.gz BMXASPIEAOPBEI-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000631172780 461611378 /nfs/dbraw/zinc/61/13/78/461611378.db2.gz RVTDVIFNBJFDFD-QGZVFWFLSA-N 2 2 331.504 3.126 10 0 EGAELP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000631172780 461611389 /nfs/dbraw/zinc/61/13/89/461611389.db2.gz RVTDVIFNBJFDFD-QGZVFWFLSA-N 2 2 331.504 3.126 10 0 EGAELP OCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C2CC3CC(C2)CC1C3 ZINC000666441861 461628679 /nfs/dbraw/zinc/62/86/79/461628679.db2.gz JBEPMCHXUNDFDG-UHFFFAOYSA-N 2 2 343.496 3.211 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497302 461672417 /nfs/dbraw/zinc/67/24/17/461672417.db2.gz DEUVWFLVQPLHMF-UHFFFAOYSA-N 2 2 344.890 3.043 10 0 EGAELP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497329 461673615 /nfs/dbraw/zinc/67/36/15/461673615.db2.gz DWFYWYVHURKBDZ-UHFFFAOYSA-N 2 2 325.437 3.398 10 0 EGAELP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000663504093 461676799 /nfs/dbraw/zinc/67/67/99/461676799.db2.gz VVKQKSSXPULGGS-OAHLLOKOSA-N 2 2 342.274 3.037 10 0 EGAELP Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000647479640 461724998 /nfs/dbraw/zinc/72/49/98/461724998.db2.gz OCMFUWHYFCFWAD-GXTWGEPZSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000647479640 461725003 /nfs/dbraw/zinc/72/50/03/461725003.db2.gz OCMFUWHYFCFWAD-GXTWGEPZSA-N 2 2 339.277 3.119 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480700 461727102 /nfs/dbraw/zinc/72/71/02/461727102.db2.gz XRXWTINEZDPMHE-GJZGRUSLSA-N 2 2 347.532 3.187 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480700 461727110 /nfs/dbraw/zinc/72/71/10/461727110.db2.gz XRXWTINEZDPMHE-GJZGRUSLSA-N 2 2 347.532 3.187 10 0 EGAELP c1cn2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479915 461728576 /nfs/dbraw/zinc/72/85/76/461728576.db2.gz YACWFWCATPXBOR-LSDHHAIUSA-N 2 2 330.501 3.237 10 0 EGAELP c1cn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479915 461728584 /nfs/dbraw/zinc/72/85/84/461728584.db2.gz YACWFWCATPXBOR-LSDHHAIUSA-N 2 2 330.501 3.237 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000663635583 461729955 /nfs/dbraw/zinc/72/99/55/461729955.db2.gz MCMOTVFWOQGZKH-CYBMUJFWSA-N 2 2 343.393 3.322 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402538 461733089 /nfs/dbraw/zinc/73/30/89/461733089.db2.gz NKTSVMQYMVMTIM-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402538 461733096 /nfs/dbraw/zinc/73/30/96/461733096.db2.gz NKTSVMQYMVMTIM-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccncc2)cc1 ZINC000656402538 461733101 /nfs/dbraw/zinc/73/31/01/461733101.db2.gz NKTSVMQYMVMTIM-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccncc2)cc1 ZINC000656402538 461733106 /nfs/dbraw/zinc/73/31/06/461733106.db2.gz NKTSVMQYMVMTIM-KJJMTIBFSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402536 461733706 /nfs/dbraw/zinc/73/37/06/461733706.db2.gz NKTSVMQYMVMTIM-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402536 461733711 /nfs/dbraw/zinc/73/37/11/461733711.db2.gz NKTSVMQYMVMTIM-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccncc2)cc1 ZINC000656402536 461733716 /nfs/dbraw/zinc/73/37/16/461733716.db2.gz NKTSVMQYMVMTIM-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccncc2)cc1 ZINC000656402536 461733721 /nfs/dbraw/zinc/73/37/21/461733721.db2.gz NKTSVMQYMVMTIM-CBPXPLCBSA-N 2 2 333.479 3.424 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)n2c1CCCC2 ZINC000660479070 461803007 /nfs/dbraw/zinc/80/30/07/461803007.db2.gz DVMGWWWHPKNWFE-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)n2c1CCCC2 ZINC000660479070 461803014 /nfs/dbraw/zinc/80/30/14/461803014.db2.gz DVMGWWWHPKNWFE-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000656701878 461849229 /nfs/dbraw/zinc/84/92/29/461849229.db2.gz FBKVHUATIAODNN-WOJBJXKFSA-N 2 2 326.484 3.206 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000656701878 461849233 /nfs/dbraw/zinc/84/92/33/461849233.db2.gz FBKVHUATIAODNN-WOJBJXKFSA-N 2 2 326.484 3.206 10 0 EGAELP CCc1cc(N2CCC3(C2)CC[NH+](C)CC3)nc(-c2ccncc2)[nH+]1 ZINC000647842774 461855715 /nfs/dbraw/zinc/85/57/15/461855715.db2.gz KCZDFKRNMBZROT-UHFFFAOYSA-N 2 2 337.471 3.023 10 0 EGAELP CC(C)[N@H+]1CCCC[C@H]1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000663922352 461871882 /nfs/dbraw/zinc/87/18/82/461871882.db2.gz RIAURYABZCFSGJ-CVEARBPZSA-N 2 2 330.476 3.092 10 0 EGAELP CC(C)[N@@H+]1CCCC[C@H]1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000663922352 461871888 /nfs/dbraw/zinc/87/18/88/461871888.db2.gz RIAURYABZCFSGJ-CVEARBPZSA-N 2 2 330.476 3.092 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901511 461876690 /nfs/dbraw/zinc/87/66/90/461876690.db2.gz PYBWLKXUFBPTNA-BZSNNMDCSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901511 461876696 /nfs/dbraw/zinc/87/66/96/461876696.db2.gz PYBWLKXUFBPTNA-BZSNNMDCSA-N 2 2 329.488 3.094 10 0 EGAELP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901003 461876931 /nfs/dbraw/zinc/87/69/31/461876931.db2.gz INNSGRSDNUYPEL-NIAPBTPMSA-N 2 2 347.547 3.020 10 0 EGAELP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901003 461876933 /nfs/dbraw/zinc/87/69/33/461876933.db2.gz INNSGRSDNUYPEL-NIAPBTPMSA-N 2 2 347.547 3.020 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903278 461878430 /nfs/dbraw/zinc/87/84/30/461878430.db2.gz IPMFGSQLHBNKCY-KDOFPFPSSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903278 461878435 /nfs/dbraw/zinc/87/84/35/461878435.db2.gz IPMFGSQLHBNKCY-KDOFPFPSSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903600 461879161 /nfs/dbraw/zinc/87/91/61/461879161.db2.gz MQXUUABGFOAOHJ-BBRMVZONSA-N 2 2 326.843 3.322 10 0 EGAELP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903600 461879166 /nfs/dbraw/zinc/87/91/66/461879166.db2.gz MQXUUABGFOAOHJ-BBRMVZONSA-N 2 2 326.843 3.322 10 0 EGAELP Nc1[nH+]cccc1COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000663959729 461888778 /nfs/dbraw/zinc/88/87/78/461888778.db2.gz PNLZRLGWZPOKPJ-UHFFFAOYSA-N 2 2 327.428 3.108 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000648010797 461939093 /nfs/dbraw/zinc/93/90/93/461939093.db2.gz TYOZBRBPSWSGKC-IBGZPJMESA-N 2 2 338.499 3.489 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000648010797 461939102 /nfs/dbraw/zinc/93/91/02/461939102.db2.gz TYOZBRBPSWSGKC-IBGZPJMESA-N 2 2 338.499 3.489 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3C[C@H]3c3ccccc3)c2cc1C ZINC000644637924 462017563 /nfs/dbraw/zinc/01/75/63/462017563.db2.gz YSIJELGVODLDEG-GBESFXJTSA-N 2 2 335.451 3.160 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311603 462036503 /nfs/dbraw/zinc/03/65/03/462036503.db2.gz PHGTYEQEIMPBRW-KRWDZBQOSA-N 2 2 338.499 3.351 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311603 462036510 /nfs/dbraw/zinc/03/65/10/462036510.db2.gz PHGTYEQEIMPBRW-KRWDZBQOSA-N 2 2 338.499 3.351 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000657369630 462077862 /nfs/dbraw/zinc/07/78/62/462077862.db2.gz ANNIKACVDXLYIT-HNNXBMFYSA-N 2 2 345.512 3.176 10 0 EGAELP C[C@H](CC[NH2+]Cc1cn(C2CCC2)nn1)[N@H+](C)Cc1ccccc1 ZINC000657381398 462084965 /nfs/dbraw/zinc/08/49/65/462084965.db2.gz AEJXECCFSRPCET-MRXNPFEDSA-N 2 2 327.476 3.003 10 0 EGAELP C[C@H](CC[NH2+]Cc1cn(C2CCC2)nn1)[N@@H+](C)Cc1ccccc1 ZINC000657381398 462084973 /nfs/dbraw/zinc/08/49/73/462084973.db2.gz AEJXECCFSRPCET-MRXNPFEDSA-N 2 2 327.476 3.003 10 0 EGAELP COc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000667488205 462108598 /nfs/dbraw/zinc/10/85/98/462108598.db2.gz XETBYYZOUUKIRY-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP COc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000667488205 462108604 /nfs/dbraw/zinc/10/86/04/462108604.db2.gz XETBYYZOUUKIRY-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP CCc1cccc2cc(C[NH+]3CCN(Cc4[nH+]ccn4C)CC3)oc21 ZINC000667600460 462168453 /nfs/dbraw/zinc/16/84/53/462168453.db2.gz WRCCXPCPAPCXPK-UHFFFAOYSA-N 2 2 338.455 3.047 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690297 462367552 /nfs/dbraw/zinc/36/75/52/462367552.db2.gz LMYQFZITRFFOAJ-CABCVRRESA-N 2 2 344.434 3.475 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690297 462367558 /nfs/dbraw/zinc/36/75/58/462367558.db2.gz LMYQFZITRFFOAJ-CABCVRRESA-N 2 2 344.434 3.475 10 0 EGAELP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665250287 462369360 /nfs/dbraw/zinc/36/93/60/462369360.db2.gz NCUKWQSMZGIBDR-IPHXSNPTSA-N 2 2 337.467 3.441 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661787153 462411573 /nfs/dbraw/zinc/41/15/73/462411573.db2.gz ZGBBRJBDOBSNKE-GHTZIAJQSA-N 2 2 349.482 3.415 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658293438 462460300 /nfs/dbraw/zinc/46/03/00/462460300.db2.gz HBWSUCCWLUNPLZ-QUCCMNQESA-N 2 2 344.499 3.360 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221980 462476989 /nfs/dbraw/zinc/47/69/89/462476989.db2.gz BJFBLBCXBGXQAO-MRXNPFEDSA-N 2 2 329.492 3.204 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221980 462476996 /nfs/dbraw/zinc/47/69/96/462476996.db2.gz BJFBLBCXBGXQAO-MRXNPFEDSA-N 2 2 329.492 3.204 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000652246026 462488490 /nfs/dbraw/zinc/48/84/90/462488490.db2.gz JUMXSHYKRVBPSW-CZAAIQMYSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000652246026 462488494 /nfs/dbraw/zinc/48/84/94/462488494.db2.gz JUMXSHYKRVBPSW-CZAAIQMYSA-N 2 2 328.500 3.302 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)[C@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594213 469588415 /nfs/dbraw/zinc/58/84/15/469588415.db2.gz MGZDMDZVEMSEEF-AEFFLSMTSA-N 2 2 342.487 3.075 10 0 EGAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000132915158 534408818 /nfs/dbraw/zinc/40/88/18/534408818.db2.gz QZYOSRNZDDSJEG-LSDHHAIUSA-N 2 2 343.393 3.280 10 0 EGAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000132914963 534411067 /nfs/dbraw/zinc/41/10/67/534411067.db2.gz QZYOSRNZDDSJEG-HUUCEWRRSA-N 2 2 343.393 3.280 10 0 EGAELP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181939440 534501481 /nfs/dbraw/zinc/50/14/81/534501481.db2.gz AZKJEASQPUWSPR-KRWDZBQOSA-N 2 2 338.386 3.410 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000164600395 534769273 /nfs/dbraw/zinc/76/92/73/534769273.db2.gz UKSIYZGVXDULKG-GHTZIAJQSA-N 3 2 340.515 3.472 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000164600395 534769287 /nfs/dbraw/zinc/76/92/87/534769287.db2.gz UKSIYZGVXDULKG-GHTZIAJQSA-N 3 2 340.515 3.472 10 0 EGAELP CC(=O)NC1CCC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152969347 526701161 /nfs/dbraw/zinc/70/11/61/526701161.db2.gz YQOLNKKUCMMGOF-CBNMVNINSA-N 2 2 343.515 3.078 10 0 EGAELP CC(=O)NC1CCC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152969347 526701166 /nfs/dbraw/zinc/70/11/66/526701166.db2.gz YQOLNKKUCMMGOF-CBNMVNINSA-N 2 2 343.515 3.078 10 0 EGAELP CC(C)CO[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000181475508 528141104 /nfs/dbraw/zinc/14/11/04/528141104.db2.gz VHBOCHJGPARNCC-IRXDYDNUSA-N 2 2 328.460 3.197 10 0 EGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000181283289 529107128 /nfs/dbraw/zinc/10/71/28/529107128.db2.gz XRNBPBNCEAYIOW-ZWOKBUDYSA-N 3 2 333.520 3.006 10 0 EGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000181283289 529107132 /nfs/dbraw/zinc/10/71/32/529107132.db2.gz XRNBPBNCEAYIOW-ZWOKBUDYSA-N 3 2 333.520 3.006 10 0 EGAELP CCOCc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188406171 547147634 /nfs/dbraw/zinc/14/76/34/547147634.db2.gz GEQXHPBACCMDTO-GOSISDBHSA-N 2 2 329.444 3.093 10 0 EGAELP CCOCc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188406171 547147635 /nfs/dbraw/zinc/14/76/35/547147635.db2.gz GEQXHPBACCMDTO-GOSISDBHSA-N 2 2 329.444 3.093 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188409031 547147660 /nfs/dbraw/zinc/14/76/60/547147660.db2.gz UIBFZKLJFVMSKS-AWEZNQCLSA-N 2 2 337.370 3.158 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188409031 547147662 /nfs/dbraw/zinc/14/76/62/547147662.db2.gz UIBFZKLJFVMSKS-AWEZNQCLSA-N 2 2 337.370 3.158 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000383697672 547821484 /nfs/dbraw/zinc/82/14/84/547821484.db2.gz RSJYZTDJYBVLNH-SOUVJXGZSA-N 2 2 343.862 3.035 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000383697672 547821486 /nfs/dbraw/zinc/82/14/86/547821486.db2.gz RSJYZTDJYBVLNH-SOUVJXGZSA-N 2 2 343.862 3.035 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414929499 547861855 /nfs/dbraw/zinc/86/18/55/547861855.db2.gz NZYSLBMIWZOJNT-ABAIWWIYSA-N 2 2 334.261 3.085 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000673618617 548582892 /nfs/dbraw/zinc/58/28/92/548582892.db2.gz VILYNCILPRYMSB-GOSISDBHSA-N 2 2 337.458 3.496 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674372976 548740022 /nfs/dbraw/zinc/74/00/22/548740022.db2.gz OJQQECMIILQZCT-LLVKDONJSA-N 2 2 329.429 3.462 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768385 548977618 /nfs/dbraw/zinc/97/76/18/548977618.db2.gz XBIPETABUZVJBT-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768385 548977622 /nfs/dbraw/zinc/97/76/22/548977622.db2.gz XBIPETABUZVJBT-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000676840355 549164970 /nfs/dbraw/zinc/16/49/70/549164970.db2.gz ZJEVIVSSOKKHNT-CQSZACIVSA-N 2 2 345.512 3.443 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3noc4c3CCCC4)CC2)c[nH+]1 ZINC000679952354 549796141 /nfs/dbraw/zinc/79/61/41/549796141.db2.gz HGSXHWSYHUOFLF-UHFFFAOYSA-N 2 2 328.460 3.442 10 0 EGAELP CCC(=O)N1CCC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000681699037 550028131 /nfs/dbraw/zinc/02/81/31/550028131.db2.gz QWJCLLBROVRIIO-OAQYLSRUSA-N 2 2 343.515 3.032 10 0 EGAELP CCC(=O)N1CCC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000681699037 550028132 /nfs/dbraw/zinc/02/81/32/550028132.db2.gz QWJCLLBROVRIIO-OAQYLSRUSA-N 2 2 343.515 3.032 10 0 EGAELP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)[NH+]2CCCC2)cc1 ZINC000684368138 550320481 /nfs/dbraw/zinc/32/04/81/550320481.db2.gz DZGPCDPIGTWLOV-IHPCNDPISA-N 2 2 332.488 3.379 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684572974 550344561 /nfs/dbraw/zinc/34/45/61/550344561.db2.gz ODINNJAMYPFYNW-CYBMUJFWSA-N 2 2 326.375 3.421 10 0 EGAELP Cc1cc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)ccc1F ZINC000685662156 550437170 /nfs/dbraw/zinc/43/71/70/550437170.db2.gz MNUHSGFYMMNMRG-OXQOHEQNSA-N 2 2 336.414 3.489 10 0 EGAELP Cc1cc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)ccc1F ZINC000685662156 550437174 /nfs/dbraw/zinc/43/71/74/550437174.db2.gz MNUHSGFYMMNMRG-OXQOHEQNSA-N 2 2 336.414 3.489 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686775 574766757 /nfs/dbraw/zinc/76/67/57/574766757.db2.gz XOOYTGLYNHLPLD-INIZCTEOSA-N 2 2 338.927 3.470 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686775 574766759 /nfs/dbraw/zinc/76/67/59/574766759.db2.gz XOOYTGLYNHLPLD-INIZCTEOSA-N 2 2 338.927 3.470 10 0 EGAELP CCn1c2ccccc2[nH+]c1CCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733188539 575318594 /nfs/dbraw/zinc/31/85/94/575318594.db2.gz HYBVUHWOXQROKD-UHFFFAOYSA-N 2 2 336.443 3.101 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000742388872 576777972 /nfs/dbraw/zinc/77/79/72/576777972.db2.gz SUENAGNKROOBLB-GOSISDBHSA-N 2 2 331.423 3.370 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432406 1298317209 /nfs/dbraw/zinc/31/72/09/1298317209.db2.gz AJSSHAAGYFRUSY-XHVZSJERSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432406 1298317218 /nfs/dbraw/zinc/31/72/18/1298317218.db2.gz AJSSHAAGYFRUSY-XHVZSJERSA-N 2 2 329.669 3.272 10 0 EGAELP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000169285330 1294369596 /nfs/dbraw/zinc/36/95/96/1294369596.db2.gz BGJQIUCTZPRYJC-UHFFFAOYSA-N 2 2 341.434 3.160 10 0 EGAELP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000872021561 1296662986 /nfs/dbraw/zinc/66/29/86/1296662986.db2.gz QNNGZSJGRBOHBO-DLBZAZTESA-N 2 2 344.421 3.116 10 0 EGAELP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000872021561 1296663002 /nfs/dbraw/zinc/66/30/02/1296663002.db2.gz QNNGZSJGRBOHBO-DLBZAZTESA-N 2 2 344.421 3.116 10 0 EGAELP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCOC1 ZINC000872056138 1296704713 /nfs/dbraw/zinc/70/47/13/1296704713.db2.gz OKYHLPAOQMUVLH-XLIONFOSSA-N 2 2 331.504 3.446 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)C[C@H]1C(F)(F)F ZINC000872149168 1296770330 /nfs/dbraw/zinc/77/03/30/1296770330.db2.gz MMSRZWSWDNLLCL-MWLCHTKSSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)C[C@H]1C(F)(F)F ZINC000872149168 1296770339 /nfs/dbraw/zinc/77/03/39/1296770339.db2.gz MMSRZWSWDNLLCL-MWLCHTKSSA-N 2 2 340.361 3.126 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398084629 1297713625 /nfs/dbraw/zinc/71/36/25/1297713625.db2.gz HTKQUKOFWGHIBA-BEFAXECRSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398084629 1297713632 /nfs/dbraw/zinc/71/36/32/1297713632.db2.gz HTKQUKOFWGHIBA-BEFAXECRSA-N 2 2 342.439 3.066 10 0 EGAELP O[C@]1(CNc2[nH+]ccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702588380 1298195487 /nfs/dbraw/zinc/19/54/87/1298195487.db2.gz RTQVIKZLWFOVKO-NRFANRHFSA-N 2 2 333.435 3.284 10 0 EGAELP O[C@]1(CNc2[nH+]ccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702588380 1298195494 /nfs/dbraw/zinc/19/54/94/1298195494.db2.gz RTQVIKZLWFOVKO-NRFANRHFSA-N 2 2 333.435 3.284 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3Cl)C[C@@H]12 ZINC000706449177 1298221233 /nfs/dbraw/zinc/22/12/33/1298221233.db2.gz CBGNUWRCLNOOJG-IRUJWGPZSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3Cl)C[C@@H]12 ZINC000706449177 1298221239 /nfs/dbraw/zinc/22/12/39/1298221239.db2.gz CBGNUWRCLNOOJG-IRUJWGPZSA-N 2 2 329.669 3.272 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345957 1299932264 /nfs/dbraw/zinc/93/22/64/1299932264.db2.gz YAZVMHZDJURCHC-QFBILLFUSA-N 2 2 341.455 3.251 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@H]1CCC12CCOCC2 ZINC000883346674 1302404560 /nfs/dbraw/zinc/40/45/60/1302404560.db2.gz FCHMTFAQAQPZLR-UXHICEINSA-N 2 2 341.499 3.342 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@H]1CCC12CCOCC2 ZINC000883346674 1302404566 /nfs/dbraw/zinc/40/45/66/1302404566.db2.gz FCHMTFAQAQPZLR-UXHICEINSA-N 2 2 341.499 3.342 10 0 EGAELP Cc1cccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)n1 ZINC000894184352 1306266536 /nfs/dbraw/zinc/26/65/36/1306266536.db2.gz XJOGBZYIRYTISQ-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP Cc1cc[nH+]c(N)c1CNc1ccc(C[NH+](C)C)c(Br)c1 ZINC000894532444 1308941164 /nfs/dbraw/zinc/94/11/64/1308941164.db2.gz KKMODJJPQFFFLF-UHFFFAOYSA-N 2 2 349.276 3.408 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000894779896 1309067090 /nfs/dbraw/zinc/06/70/90/1309067090.db2.gz RLXDBBHRCQVRBM-ZDUSSCGKSA-N 2 2 347.484 3.426 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000894779896 1309067092 /nfs/dbraw/zinc/06/70/92/1309067092.db2.gz RLXDBBHRCQVRBM-ZDUSSCGKSA-N 2 2 347.484 3.426 10 0 EGAELP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783398 1309069930 /nfs/dbraw/zinc/06/99/30/1309069930.db2.gz SZUBALMNONPXJR-ZFWWWQNUSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783398 1309069938 /nfs/dbraw/zinc/06/99/38/1309069938.db2.gz SZUBALMNONPXJR-ZFWWWQNUSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783398 1309069948 /nfs/dbraw/zinc/06/99/48/1309069948.db2.gz SZUBALMNONPXJR-ZFWWWQNUSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783398 1309069955 /nfs/dbraw/zinc/06/99/55/1309069955.db2.gz SZUBALMNONPXJR-ZFWWWQNUSA-N 2 2 338.517 3.475 10 0 EGAELP CO[C@@H](Cc1ccccc1)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111231 1309195159 /nfs/dbraw/zinc/19/51/59/1309195159.db2.gz CLBQNGMVNSMPSK-UFYCRDLUSA-N 2 2 339.483 3.416 10 0 EGAELP COc1cc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC000895113196 1309196238 /nfs/dbraw/zinc/19/62/38/1309196238.db2.gz VAARCBFPCNGPMX-KBAYOESNSA-N 2 2 340.471 3.193 10 0 EGAELP COC(=O)C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000895113192 1309196294 /nfs/dbraw/zinc/19/62/94/1309196294.db2.gz UWSSVQYGINKFQB-KFGODFMUSA-N 2 2 345.487 3.136 10 0 EGAELP Cc1[nH]c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000929667917 1328663393 /nfs/dbraw/zinc/66/33/93/1328663393.db2.gz DWBVSJUKVCNHTK-OAHLLOKOSA-N 2 2 327.350 3.043 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685458 1328668432 /nfs/dbraw/zinc/66/84/32/1328668432.db2.gz BGIZEVIMBOLZSP-JYJNAYRXSA-N 2 2 334.426 3.437 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685458 1328668437 /nfs/dbraw/zinc/66/84/37/1328668437.db2.gz BGIZEVIMBOLZSP-JYJNAYRXSA-N 2 2 334.426 3.437 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Br)cc1F ZINC000858132298 1328690205 /nfs/dbraw/zinc/69/02/05/1328690205.db2.gz ZFLAIETTZYXVRZ-GFCCVEGCSA-N 2 2 329.257 3.328 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000858132298 1328690208 /nfs/dbraw/zinc/69/02/08/1328690208.db2.gz ZFLAIETTZYXVRZ-GFCCVEGCSA-N 2 2 329.257 3.328 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cnc1Br ZINC000929842860 1328718158 /nfs/dbraw/zinc/71/81/58/1328718158.db2.gz DSZFOQVHVFFBIE-CABCVRRESA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000929842860 1328718163 /nfs/dbraw/zinc/71/81/63/1328718163.db2.gz DSZFOQVHVFFBIE-CABCVRRESA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842860 1328718166 /nfs/dbraw/zinc/71/81/66/1328718166.db2.gz DSZFOQVHVFFBIE-CABCVRRESA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842860 1328718170 /nfs/dbraw/zinc/71/81/70/1328718170.db2.gz DSZFOQVHVFFBIE-CABCVRRESA-N 2 2 338.293 3.069 10 0 EGAELP C[N@H+](CCOC1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929979953 1328755679 /nfs/dbraw/zinc/75/56/79/1328755679.db2.gz CMIWIBSFLISDDN-UHFFFAOYSA-N 2 2 348.556 3.495 10 0 EGAELP C[N@@H+](CCOC1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929979953 1328755684 /nfs/dbraw/zinc/75/56/84/1328755684.db2.gz CMIWIBSFLISDDN-UHFFFAOYSA-N 2 2 348.556 3.495 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921670407 1322376037 /nfs/dbraw/zinc/37/60/37/1322376037.db2.gz FLYQDRFAWMFKGV-MRXNPFEDSA-N 2 2 346.906 3.280 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000921670407 1322376043 /nfs/dbraw/zinc/37/60/43/1322376043.db2.gz FLYQDRFAWMFKGV-MRXNPFEDSA-N 2 2 346.906 3.280 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCOCC1 ZINC000922749420 1322608666 /nfs/dbraw/zinc/60/86/66/1322608666.db2.gz OYCYMXYFMROZQC-IBGZPJMESA-N 2 2 346.515 3.215 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCOCC1 ZINC000922749420 1322608671 /nfs/dbraw/zinc/60/86/71/1322608671.db2.gz OYCYMXYFMROZQC-IBGZPJMESA-N 2 2 346.515 3.215 10 0 EGAELP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922990496 1322670598 /nfs/dbraw/zinc/67/05/98/1322670598.db2.gz MYKSOEJLURGOPO-MSOLQXFVSA-N 2 2 325.437 3.072 10 0 EGAELP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508367 1322765286 /nfs/dbraw/zinc/76/52/86/1322765286.db2.gz UXWMNGCSRXLELI-RHSMWYFYSA-N 2 2 336.501 3.064 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c[nH+]1 ZINC000924626763 1323081908 /nfs/dbraw/zinc/08/19/08/1323081908.db2.gz XOKZZFAOXRZZSK-UXHICEINSA-N 2 2 325.456 3.226 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924659201 1323098773 /nfs/dbraw/zinc/09/87/73/1323098773.db2.gz CVWANLZHLHAJTG-XSYGEPLQSA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924659201 1323098781 /nfs/dbraw/zinc/09/87/81/1323098781.db2.gz CVWANLZHLHAJTG-XSYGEPLQSA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)n(C)n1 ZINC000924925602 1323216588 /nfs/dbraw/zinc/21/65/88/1323216588.db2.gz HZGWENDIIXYNKJ-PKOBYXMFSA-N 2 2 341.503 3.317 10 0 EGAELP C[NH+]1C[C@@]2(C)C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931314328 1329091694 /nfs/dbraw/zinc/09/16/94/1329091694.db2.gz LUSVGQSNBRIWMI-ULQDDVLXSA-N 2 2 342.405 3.012 10 0 EGAELP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC000931707849 1329168072 /nfs/dbraw/zinc/16/80/72/1329168072.db2.gz URAGAJUPULGNBJ-UXHICEINSA-N 2 2 349.434 3.226 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000931751917 1329177117 /nfs/dbraw/zinc/17/71/17/1329177117.db2.gz FAECCDVWTOMJFK-MRXNPFEDSA-N 2 2 330.472 3.161 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000925731222 1325273538 /nfs/dbraw/zinc/27/35/38/1325273538.db2.gz SPAHQVDTQPXPAI-NQIIRXRSSA-N 2 2 343.515 3.446 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)n(C)n1 ZINC000926764022 1327705590 /nfs/dbraw/zinc/70/55/90/1327705590.db2.gz ZPHJWXFDOULRQL-HQRMLTQVSA-N 2 2 330.520 3.046 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)n(C)n1 ZINC000926764022 1327705597 /nfs/dbraw/zinc/70/55/97/1327705597.db2.gz ZPHJWXFDOULRQL-HQRMLTQVSA-N 2 2 330.520 3.046 10 0 EGAELP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103917 1327864511 /nfs/dbraw/zinc/86/45/11/1327864511.db2.gz GUQCYJICRBKHOC-YJBOKZPZSA-N 2 2 334.529 3.182 10 0 EGAELP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927103917 1327864514 /nfs/dbraw/zinc/86/45/14/1327864514.db2.gz GUQCYJICRBKHOC-YJBOKZPZSA-N 2 2 334.529 3.182 10 0 EGAELP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H]1C[NH+](C)C ZINC000866012224 1329759069 /nfs/dbraw/zinc/75/90/69/1329759069.db2.gz USDCYJYZMUHSEJ-HUUCEWRRSA-N 3 2 346.906 3.064 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(c4ccccc4)C3)cc2)c[nH+]1 ZINC000931906220 1329769591 /nfs/dbraw/zinc/76/95/91/1329769591.db2.gz UIFFDVBHZAEDFB-IRLDBZIGSA-N 2 2 345.446 3.272 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(c4ccccc4)C3)cc2)c[nH+]1 ZINC000931906220 1329769592 /nfs/dbraw/zinc/76/95/92/1329769592.db2.gz UIFFDVBHZAEDFB-IRLDBZIGSA-N 2 2 345.446 3.272 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866255686 1330086138 /nfs/dbraw/zinc/08/61/38/1330086138.db2.gz BZUQGQUWGKJSDV-FXAWDEMLSA-N 2 2 341.499 3.256 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866255686 1330086140 /nfs/dbraw/zinc/08/61/40/1330086140.db2.gz BZUQGQUWGKJSDV-FXAWDEMLSA-N 2 2 341.499 3.256 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706184 1330143389 /nfs/dbraw/zinc/14/33/89/1330143389.db2.gz GDAURVBPGVYFOS-IBGZPJMESA-N 2 2 332.467 3.392 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706184 1330143392 /nfs/dbraw/zinc/14/33/92/1330143392.db2.gz GDAURVBPGVYFOS-IBGZPJMESA-N 2 2 332.467 3.392 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358042 1387351121 /nfs/dbraw/zinc/35/11/21/1387351121.db2.gz QVHKAYHUUZJGKB-QZTJIDSGSA-N 2 2 349.906 3.077 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358042 1387351127 /nfs/dbraw/zinc/35/11/27/1387351127.db2.gz QVHKAYHUUZJGKB-QZTJIDSGSA-N 2 2 349.906 3.077 10 0 EGAELP C[NH+](C)[C@H](CNc1nc2ccccc2n2c[nH+]cc12)Cc1ccccc1 ZINC001184500708 1387475492 /nfs/dbraw/zinc/47/54/92/1387475492.db2.gz MOTOCAQRNDSJSZ-KRWDZBQOSA-N 2 2 345.450 3.467 10 0 EGAELP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001324067530 1387526316 /nfs/dbraw/zinc/52/63/16/1387526316.db2.gz KAXYTXSLSBDBNM-HOCLYGCPSA-N 2 2 328.460 3.192 10 0 EGAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001324482636 1387640874 /nfs/dbraw/zinc/64/08/74/1387640874.db2.gz LQTBCMLNSSQCPX-QGZVFWFLSA-N 2 2 342.487 3.259 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899098 1388072009 /nfs/dbraw/zinc/07/20/09/1388072009.db2.gz KGVCJIPZFAAZAK-XOIGSVRCSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899098 1388072013 /nfs/dbraw/zinc/07/20/13/1388072013.db2.gz KGVCJIPZFAAZAK-XOIGSVRCSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899098 1388072020 /nfs/dbraw/zinc/07/20/20/1388072020.db2.gz KGVCJIPZFAAZAK-XOIGSVRCSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899098 1388072026 /nfs/dbraw/zinc/07/20/26/1388072026.db2.gz KGVCJIPZFAAZAK-XOIGSVRCSA-N 2 2 344.503 3.154 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917725 1388080696 /nfs/dbraw/zinc/08/06/96/1388080696.db2.gz MQFOKPRDEULGFK-CZHQAMEJSA-N 2 2 344.503 3.085 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917725 1388080700 /nfs/dbraw/zinc/08/07/00/1388080700.db2.gz MQFOKPRDEULGFK-CZHQAMEJSA-N 2 2 344.503 3.085 10 0 EGAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001129231639 1373363191 /nfs/dbraw/zinc/36/31/91/1373363191.db2.gz ZKIDNGQXHCINQQ-KRWDZBQOSA-N 2 2 326.444 3.112 10 0 EGAELP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001129231639 1373363197 /nfs/dbraw/zinc/36/31/97/1373363197.db2.gz ZKIDNGQXHCINQQ-KRWDZBQOSA-N 2 2 326.444 3.112 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155663 1388409407 /nfs/dbraw/zinc/40/94/07/1388409407.db2.gz HILXAYYBBOIZLT-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155663 1388409412 /nfs/dbraw/zinc/40/94/12/1388409412.db2.gz HILXAYYBBOIZLT-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265708058 1377163057 /nfs/dbraw/zinc/16/30/57/1377163057.db2.gz JGCZHLMEMKTCLC-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001265708058 1377163059 /nfs/dbraw/zinc/16/30/59/1377163059.db2.gz JGCZHLMEMKTCLC-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265977402 1377174872 /nfs/dbraw/zinc/17/48/72/1377174872.db2.gz ZIFLWYJXJDTHMB-BDUNBXCCSA-N 2 2 340.471 3.051 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001266898143 1377401249 /nfs/dbraw/zinc/40/12/49/1377401249.db2.gz SQAZNIAOZXDEJA-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001266898143 1377401251 /nfs/dbraw/zinc/40/12/51/1377401251.db2.gz SQAZNIAOZXDEJA-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001284308368 1379696282 /nfs/dbraw/zinc/69/62/82/1379696282.db2.gz ACUMPIJJCIMILR-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001169226159 1384124958 /nfs/dbraw/zinc/12/49/58/1384124958.db2.gz QYPHJZSOUYMGKJ-KRWDZBQOSA-N 2 2 335.492 3.278 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001169226159 1384124960 /nfs/dbraw/zinc/12/49/60/1384124960.db2.gz QYPHJZSOUYMGKJ-KRWDZBQOSA-N 2 2 335.492 3.278 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001169781696 1384185704 /nfs/dbraw/zinc/18/57/04/1384185704.db2.gz UFDLDWJIBOSQRN-SFHVURJKSA-N 2 2 346.471 3.354 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001316770784 1384569600 /nfs/dbraw/zinc/56/96/00/1384569600.db2.gz HLJLAIJJKJJFBJ-QGZVFWFLSA-N 2 2 348.535 3.484 10 0 EGAELP O=C(NC[C@H]([NH2+]CCCC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001317018079 1384782917 /nfs/dbraw/zinc/78/29/17/1384782917.db2.gz DCKFNBTVAUVIIZ-KRWDZBQOSA-N 2 2 340.471 3.013 10 0 EGAELP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001317195578 1384969856 /nfs/dbraw/zinc/96/98/56/1384969856.db2.gz QJPAFVPCJORSQT-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001317393461 1385111998 /nfs/dbraw/zinc/11/19/98/1385111998.db2.gz RWNTWQQOTNMBJF-AWEZNQCLSA-N 2 2 330.476 3.177 10 0 EGAELP Cc1cccn2cc(CC(=O)N(C)CC[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001317638853 1385368249 /nfs/dbraw/zinc/36/82/49/1385368249.db2.gz DYLVAIMSVARPOB-UHFFFAOYSA-N 2 2 344.503 3.060 10 0 EGAELP C[C@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001317678430 1385386040 /nfs/dbraw/zinc/38/60/40/1385386040.db2.gz FCQPIGSGFCZHDH-INIZCTEOSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1cccc(Cl)c1 ZINC001318228751 1385632924 /nfs/dbraw/zinc/63/29/24/1385632924.db2.gz PVLABINRKIRMHF-WBAXXEDZSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1cccc(Cl)c1 ZINC001318228751 1385632929 /nfs/dbraw/zinc/63/29/29/1385632929.db2.gz PVLABINRKIRMHF-WBAXXEDZSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001318228751 1385632934 /nfs/dbraw/zinc/63/29/34/1385632934.db2.gz PVLABINRKIRMHF-WBAXXEDZSA-N 2 2 349.906 3.026 10 0 EGAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001318228751 1385632940 /nfs/dbraw/zinc/63/29/40/1385632940.db2.gz PVLABINRKIRMHF-WBAXXEDZSA-N 2 2 349.906 3.026 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411683 1385678415 /nfs/dbraw/zinc/67/84/15/1385678415.db2.gz DXQRVDCRGBJRBI-KEGWNNHHSA-N 2 2 340.471 3.456 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411683 1385678417 /nfs/dbraw/zinc/67/84/17/1385678417.db2.gz DXQRVDCRGBJRBI-KEGWNNHHSA-N 2 2 340.471 3.456 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318413082 1385679086 /nfs/dbraw/zinc/67/90/86/1385679086.db2.gz LVUKLOFWCDATBN-GFOMBABLSA-N 2 2 346.519 3.206 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318413082 1385679092 /nfs/dbraw/zinc/67/90/92/1385679092.db2.gz LVUKLOFWCDATBN-GFOMBABLSA-N 2 2 346.519 3.206 10 0 EGAELP C[C@@H](CC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1)n1cc[nH+]c1 ZINC001318656573 1385821119 /nfs/dbraw/zinc/82/11/19/1385821119.db2.gz VQDJVOUBQODGDP-INIZCTEOSA-N 2 2 346.519 3.289 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318804715 1385857696 /nfs/dbraw/zinc/85/76/96/1385857696.db2.gz LMVGCQDYGVJLMO-AEFFLSMTSA-N 2 2 348.535 3.191 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001318959032 1385897894 /nfs/dbraw/zinc/89/78/94/1385897894.db2.gz KSLNGOSTRJJHQT-FHWLQOOXSA-N 2 2 346.519 3.454 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001319217098 1386009736 /nfs/dbraw/zinc/00/97/36/1386009736.db2.gz JHKPYPPPDWOJBT-ZDUSSCGKSA-N 2 2 331.504 3.399 10 0 EGAELP CC/C=C/CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001319921373 1386392387 /nfs/dbraw/zinc/39/23/87/1386392387.db2.gz FOMFMCLSJYTQQX-QWNKOJSDSA-N 2 2 328.460 3.263 10 0 EGAELP CC/C=C/CC[NH2+]C[C@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001698647105 1406296008 /nfs/dbraw/zinc/29/60/08/1406296008.db2.gz VPVPRMLFLJGANQ-SGSXCFNPSA-N 2 2 340.471 3.179 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001320170394 1386546598 /nfs/dbraw/zinc/54/65/98/1386546598.db2.gz IAUVAYXGKHRFCZ-SJLPKXTDSA-N 2 2 348.535 3.054 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001320464412 1386616191 /nfs/dbraw/zinc/61/61/91/1386616191.db2.gz NZCZQWVMZMOLTA-INIZCTEOSA-N 2 2 348.535 3.381 10 0 EGAELP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322345068 1387165336 /nfs/dbraw/zinc/16/53/36/1387165336.db2.gz JWCBPBOEOBCVJV-HKUYNNGSSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001322567976 1387206668 /nfs/dbraw/zinc/20/66/68/1387206668.db2.gz BGVCZFOBYMFAMC-HNNXBMFYSA-N 2 2 336.439 3.376 10 0 EGAELP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001329255512 1389036362 /nfs/dbraw/zinc/03/63/62/1389036362.db2.gz FHFWAAYKPZDKHU-MUYFXNHWSA-N 2 2 348.535 3.384 10 0 EGAELP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001329255512 1389036368 /nfs/dbraw/zinc/03/63/68/1389036368.db2.gz FHFWAAYKPZDKHU-MUYFXNHWSA-N 2 2 348.535 3.384 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001329256234 1389037315 /nfs/dbraw/zinc/03/73/15/1389037315.db2.gz ZZHBSJPTFXLBGO-AOCRQIFASA-N 2 2 332.492 3.160 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001698714331 1406356823 /nfs/dbraw/zinc/35/68/23/1406356823.db2.gz HJLSMBPELYWBRF-IYARVYRRSA-N 2 2 346.519 3.248 10 0 EGAELP CC[C@H](C)C[NH2+][C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001329742353 1389215776 /nfs/dbraw/zinc/21/57/76/1389215776.db2.gz MYJOCZHYNVEBSW-DLBZAZTESA-N 2 2 344.503 3.457 10 0 EGAELP CC[N@@H+](Cc1c(C)ccnc1N)CC1CCN(c2cccc[nH+]2)CC1 ZINC001338236024 1389597637 /nfs/dbraw/zinc/59/76/37/1389597637.db2.gz XPFVOTAFMFCAFY-UHFFFAOYSA-N 2 2 339.487 3.106 10 0 EGAELP CC[N@H+](Cc1c(C)ccnc1N)CC1CCN(c2cccc[nH+]2)CC1 ZINC001338236024 1389597646 /nfs/dbraw/zinc/59/76/46/1389597646.db2.gz XPFVOTAFMFCAFY-UHFFFAOYSA-N 2 2 339.487 3.106 10 0 EGAELP Cc1cccc([C@H](C)[NH2+][C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001331223902 1389660298 /nfs/dbraw/zinc/66/02/98/1389660298.db2.gz KODCVCGGBBHFSO-QFBILLFUSA-N 2 2 342.487 3.142 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001698755246 1406408027 /nfs/dbraw/zinc/40/80/27/1406408027.db2.gz MSZKMBCXGOHDKP-INIZCTEOSA-N 2 2 348.535 3.239 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001331992210 1389937437 /nfs/dbraw/zinc/93/74/37/1389937437.db2.gz RHJMCHYLLBNTBP-QAPCUYQASA-N 2 2 342.487 3.416 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001332221559 1390054717 /nfs/dbraw/zinc/05/47/17/1390054717.db2.gz YXQJDKZTBYKPII-IIFCEKJISA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001332221559 1390054721 /nfs/dbraw/zinc/05/47/21/1390054721.db2.gz YXQJDKZTBYKPII-IIFCEKJISA-N 2 2 346.519 3.068 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332271551 1390072124 /nfs/dbraw/zinc/07/21/24/1390072124.db2.gz KLWBUVIRDNPJEM-ZWKOTPCHSA-N 2 2 344.503 3.107 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332271551 1390072131 /nfs/dbraw/zinc/07/21/31/1390072131.db2.gz KLWBUVIRDNPJEM-ZWKOTPCHSA-N 2 2 344.503 3.107 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]C/C=C\Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332821883 1390193470 /nfs/dbraw/zinc/19/34/70/1390193470.db2.gz AACCNNQLZMZYNE-VOKGJARPSA-N 2 2 334.851 3.050 10 0 EGAELP Oc1cccc2sc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc21 ZINC001333735059 1390387763 /nfs/dbraw/zinc/38/77/63/1390387763.db2.gz WTWUMHQAUABVJG-UHFFFAOYSA-N 2 2 346.496 3.340 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059505 1390636698 /nfs/dbraw/zinc/63/66/98/1390636698.db2.gz GZMZVGYXYBATQP-GZKSLDRRSA-N 2 2 332.532 3.434 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059505 1390636700 /nfs/dbraw/zinc/63/67/00/1390636700.db2.gz GZMZVGYXYBATQP-GZKSLDRRSA-N 2 2 332.532 3.434 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059505 1390636702 /nfs/dbraw/zinc/63/67/02/1390636702.db2.gz GZMZVGYXYBATQP-GZKSLDRRSA-N 2 2 332.532 3.434 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059505 1390636705 /nfs/dbraw/zinc/63/67/05/1390636705.db2.gz GZMZVGYXYBATQP-GZKSLDRRSA-N 2 2 332.532 3.434 10 0 EGAELP C[C@@H](CC(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001479248758 1392199563 /nfs/dbraw/zinc/19/95/63/1392199563.db2.gz CIBZMYOIUMANIT-PKOBYXMFSA-N 2 2 344.503 3.257 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001479694231 1392325280 /nfs/dbraw/zinc/32/52/80/1392325280.db2.gz NPYDZDFOSVPTJY-FUHWJXTLSA-N 2 2 348.535 3.304 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001479696243 1392326817 /nfs/dbraw/zinc/32/68/17/1392326817.db2.gz VIRFQRTYRPYART-LJQANCHMSA-N 2 2 348.535 3.460 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480373520 1392716026 /nfs/dbraw/zinc/71/60/26/1392716026.db2.gz QMOFBQWFPFMLNM-OALUTQOASA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480373520 1392716029 /nfs/dbraw/zinc/71/60/29/1392716029.db2.gz QMOFBQWFPFMLNM-OALUTQOASA-N 2 2 346.519 3.165 10 0 EGAELP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480733410 1392897185 /nfs/dbraw/zinc/89/71/85/1392897185.db2.gz YZMAMWCSIASKKB-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480733410 1392897190 /nfs/dbraw/zinc/89/71/90/1392897190.db2.gz YZMAMWCSIASKKB-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480733410 1392897192 /nfs/dbraw/zinc/89/71/92/1392897192.db2.gz YZMAMWCSIASKKB-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480733410 1392897196 /nfs/dbraw/zinc/89/71/96/1392897196.db2.gz YZMAMWCSIASKKB-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1 ZINC001480795215 1392938468 /nfs/dbraw/zinc/93/84/68/1392938468.db2.gz PDCKEYCTPVJXKJ-GJZGRUSLSA-N 2 2 348.878 3.172 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113307 1393123061 /nfs/dbraw/zinc/12/30/61/1393123061.db2.gz RVKKEVOQJJUPRL-MJGOQNOKSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113307 1393123062 /nfs/dbraw/zinc/12/30/62/1393123062.db2.gz RVKKEVOQJJUPRL-MJGOQNOKSA-N 2 2 344.503 3.163 10 0 EGAELP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001481140089 1393131353 /nfs/dbraw/zinc/13/13/53/1393131353.db2.gz RUPBQWGFUREGAV-UHFFFAOYSA-N 2 2 330.476 3.441 10 0 EGAELP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001481140089 1393131354 /nfs/dbraw/zinc/13/13/54/1393131354.db2.gz RUPBQWGFUREGAV-UHFFFAOYSA-N 2 2 330.476 3.441 10 0 EGAELP CC[C@H]([NH2+]CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001481246224 1393153027 /nfs/dbraw/zinc/15/30/27/1393153027.db2.gz QCUUXDPLVBKTOI-SFHVURJKSA-N 2 2 342.487 3.126 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481334297 1393165985 /nfs/dbraw/zinc/16/59/85/1393165985.db2.gz WMYILRFWAWSACC-INIZCTEOSA-N 2 2 340.471 3.131 10 0 EGAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001698900248 1406633461 /nfs/dbraw/zinc/63/34/61/1406633461.db2.gz HVBRISWLXWTLQI-MSOLQXFVSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)c[nH+]1 ZINC001698901428 1406634745 /nfs/dbraw/zinc/63/47/45/1406634745.db2.gz WKFQLDHODGPYBU-RDJZCZTQSA-N 2 2 348.535 3.189 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698937186 1406677383 /nfs/dbraw/zinc/67/73/83/1406677383.db2.gz IQTMYSCNNWJPHG-NVXWUHKLSA-N 2 2 334.508 3.058 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C2CC[NH+](CCCC(C)C)CC2)c[nH+]1 ZINC001490410741 1394218261 /nfs/dbraw/zinc/21/82/61/1394218261.db2.gz AJJOBMPDBYOPMW-UHFFFAOYSA-N 2 2 348.535 3.286 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437734 1394291657 /nfs/dbraw/zinc/29/16/57/1394291657.db2.gz HZRPVLZIMUAOBB-MOPGFXCFSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437734 1394291660 /nfs/dbraw/zinc/29/16/60/1394291660.db2.gz HZRPVLZIMUAOBB-MOPGFXCFSA-N 2 2 346.519 3.099 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481497929 1394343182 /nfs/dbraw/zinc/34/31/82/1394343182.db2.gz KXWBLQPHVQNCAG-FUHWJXTLSA-N 2 2 334.508 3.051 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481497929 1394343185 /nfs/dbraw/zinc/34/31/85/1394343185.db2.gz KXWBLQPHVQNCAG-FUHWJXTLSA-N 2 2 334.508 3.051 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[NH2+]CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001491163105 1394455264 /nfs/dbraw/zinc/45/52/64/1394455264.db2.gz DMOITYLLBFAZER-PBHICJAKSA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001481730907 1394480317 /nfs/dbraw/zinc/48/03/17/1394480317.db2.gz MKLLYTOBDJZDFE-RTBURBONSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001481730907 1394480320 /nfs/dbraw/zinc/48/03/20/1394480320.db2.gz MKLLYTOBDJZDFE-RTBURBONSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001482244828 1394842374 /nfs/dbraw/zinc/84/23/74/1394842374.db2.gz IVKKDKDFMRYJJE-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482282871 1394865262 /nfs/dbraw/zinc/86/52/62/1394865262.db2.gz AOSCUSREALXZDF-HNNXBMFYSA-N 2 2 330.476 3.273 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482461561 1395019548 /nfs/dbraw/zinc/01/95/48/1395019548.db2.gz OXSDESOOQARKAS-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482461560 1395019629 /nfs/dbraw/zinc/01/96/29/1395019629.db2.gz OXSDESOOQARKAS-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484525523 1395416108 /nfs/dbraw/zinc/41/61/08/1395416108.db2.gz HOVWVECILWWISE-HPFMTEOYSA-N 2 2 346.519 3.111 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001484529866 1395417446 /nfs/dbraw/zinc/41/74/46/1395417446.db2.gz OFRMZWSEMKZFBD-MRXNPFEDSA-N 2 2 342.487 3.212 10 0 EGAELP Cc1cccn2cc(CC(=O)N(C)CC[N@@H+](C)CCCC(C)C)[nH+]c12 ZINC001698999241 1406802833 /nfs/dbraw/zinc/80/28/33/1406802833.db2.gz GCAKCNINDAFLEL-UHFFFAOYSA-N 2 2 344.503 3.012 10 0 EGAELP Cc1cccn2cc(CC(=O)N(C)CC[N@H+](C)CCCC(C)C)[nH+]c12 ZINC001698999241 1406802834 /nfs/dbraw/zinc/80/28/34/1406802834.db2.gz GCAKCNINDAFLEL-UHFFFAOYSA-N 2 2 344.503 3.012 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001491875452 1396299066 /nfs/dbraw/zinc/29/90/66/1396299066.db2.gz AKRBKHQHCQATDA-ZWKOTPCHSA-N 2 2 347.503 3.086 10 0 EGAELP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1Cl ZINC001492090302 1396303654 /nfs/dbraw/zinc/30/36/54/1396303654.db2.gz RENBJLVTHMTLFC-CABCVRRESA-N 2 2 348.878 3.172 10 0 EGAELP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001689050215 1396844451 /nfs/dbraw/zinc/84/44/51/1396844451.db2.gz WFFTVFSMFMQUJW-QFBILLFUSA-N 2 2 340.471 3.113 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001689091685 1396896530 /nfs/dbraw/zinc/89/65/30/1396896530.db2.gz NHBACZBMQQZGCX-BZZMCLGOSA-N 2 2 346.519 3.166 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001689091685 1396896538 /nfs/dbraw/zinc/89/65/38/1396896538.db2.gz NHBACZBMQQZGCX-BZZMCLGOSA-N 2 2 346.519 3.166 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001690349585 1404487829 /nfs/dbraw/zinc/48/78/29/1404487829.db2.gz FIZJHRCDNUXAKB-FEFURNDJSA-N 2 2 338.455 3.079 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCCC(F)(F)F ZINC001690590762 1404642782 /nfs/dbraw/zinc/64/27/82/1404642782.db2.gz GFZKDZPSEAEQQM-LLVKDONJSA-N 2 2 342.365 3.003 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788118 1404734782 /nfs/dbraw/zinc/73/47/82/1404734782.db2.gz OAUHYRUMSHJCHK-ROUUACIJSA-N 2 2 346.519 3.248 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001690950368 1404859662 /nfs/dbraw/zinc/85/96/62/1404859662.db2.gz WATHERZQZTUBEE-GOSISDBHSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001690950368 1404859667 /nfs/dbraw/zinc/85/96/67/1404859667.db2.gz WATHERZQZTUBEE-GOSISDBHSA-N 2 2 346.519 3.099 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691086625 1405020044 /nfs/dbraw/zinc/02/00/44/1405020044.db2.gz VCTDSVPDIAUUPY-QGZUEGPWSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691086625 1405020045 /nfs/dbraw/zinc/02/00/45/1405020045.db2.gz VCTDSVPDIAUUPY-QGZUEGPWSA-N 2 2 326.444 3.113 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691625319 1405363531 /nfs/dbraw/zinc/36/35/31/1405363531.db2.gz GCKVLVKHKOAXHL-IAGOWNOFSA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691632110 1405369216 /nfs/dbraw/zinc/36/92/16/1405369216.db2.gz GDUCPKIOCREBQZ-QZTJIDSGSA-N 2 2 334.508 3.385 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001691682247 1405417181 /nfs/dbraw/zinc/41/71/81/1405417181.db2.gz GZUMBSLWRKMYOZ-DLBZAZTESA-N 2 2 332.492 3.017 10 0 EGAELP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691787262 1405496634 /nfs/dbraw/zinc/49/66/34/1405496634.db2.gz JXXUWXPHKGFRIG-HOCLYGCPSA-N 2 2 346.450 3.238 10 0 EGAELP C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691787262 1405496636 /nfs/dbraw/zinc/49/66/36/1405496636.db2.gz JXXUWXPHKGFRIG-HOCLYGCPSA-N 2 2 346.450 3.238 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001691833765 1405547249 /nfs/dbraw/zinc/54/72/49/1405547249.db2.gz MKCPMUMYDRIKLB-RYQLBKOJSA-N 2 2 346.519 3.090 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001691833765 1405547251 /nfs/dbraw/zinc/54/72/51/1405547251.db2.gz MKCPMUMYDRIKLB-RYQLBKOJSA-N 2 2 346.519 3.090 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001691833765 1405547257 /nfs/dbraw/zinc/54/72/57/1405547257.db2.gz MKCPMUMYDRIKLB-RYQLBKOJSA-N 2 2 346.519 3.090 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001691833765 1405547260 /nfs/dbraw/zinc/54/72/60/1405547260.db2.gz MKCPMUMYDRIKLB-RYQLBKOJSA-N 2 2 346.519 3.090 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069973 1428317967 /nfs/dbraw/zinc/31/79/67/1428317967.db2.gz CSYVPHYTAVJJCB-OAHLLOKOSA-N 2 2 342.487 3.393 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069973 1428317973 /nfs/dbraw/zinc/31/79/73/1428317973.db2.gz CSYVPHYTAVJJCB-OAHLLOKOSA-N 2 2 342.487 3.393 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001732072721 1428322599 /nfs/dbraw/zinc/32/25/99/1428322599.db2.gz UJCLRMUYFKBTDH-OALUTQOASA-N 2 2 346.519 3.051 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001732072721 1428322602 /nfs/dbraw/zinc/32/26/02/1428322602.db2.gz UJCLRMUYFKBTDH-OALUTQOASA-N 2 2 346.519 3.051 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185081 1428433687 /nfs/dbraw/zinc/43/36/87/1428433687.db2.gz KHTYTBRTUSQLPF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185081 1428433688 /nfs/dbraw/zinc/43/36/88/1428433688.db2.gz KHTYTBRTUSQLPF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185081 1428433689 /nfs/dbraw/zinc/43/36/89/1428433689.db2.gz KHTYTBRTUSQLPF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185081 1428433690 /nfs/dbraw/zinc/43/36/90/1428433690.db2.gz KHTYTBRTUSQLPF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001732312873 1428525129 /nfs/dbraw/zinc/52/51/29/1428525129.db2.gz HJZBCVNEGKRZNQ-QAQDUYKDSA-N 2 2 348.535 3.196 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732427428 1428576480 /nfs/dbraw/zinc/57/64/80/1428576480.db2.gz SANAHYBEVAQXNV-CQSZACIVSA-N 2 2 328.460 3.193 10 0 EGAELP C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001732427934 1428576829 /nfs/dbraw/zinc/57/68/29/1428576829.db2.gz CMDAMPVQHSYQGH-AQFXKWCLSA-N 2 2 342.487 3.211 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]C/C=C\Cl)CC(C)C)ccn12 ZINC001732457757 1428590710 /nfs/dbraw/zinc/59/07/10/1428590710.db2.gz CBJZTTDBHBBSRP-LEXSJLIMSA-N 2 2 348.878 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)CC(C)C)ccn12 ZINC001732457755 1428590739 /nfs/dbraw/zinc/59/07/39/1428590739.db2.gz CBJZTTDBHBBSRP-DQOPKJQZSA-N 2 2 348.878 3.129 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010719 1413452082 /nfs/dbraw/zinc/45/20/82/1413452082.db2.gz JPBXVYZFOHUATH-RWQQGDIJSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010719 1413452085 /nfs/dbraw/zinc/45/20/85/1413452085.db2.gz JPBXVYZFOHUATH-RWQQGDIJSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010719 1413452090 /nfs/dbraw/zinc/45/20/90/1413452090.db2.gz JPBXVYZFOHUATH-RWQQGDIJSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010719 1413452095 /nfs/dbraw/zinc/45/20/95/1413452095.db2.gz JPBXVYZFOHUATH-RWQQGDIJSA-N 2 2 344.503 3.159 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001700099836 1413517182 /nfs/dbraw/zinc/51/71/82/1413517182.db2.gz QXZRIYJDQCQAOL-MRXNPFEDSA-N 2 2 342.487 3.286 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001700219109 1413664158 /nfs/dbraw/zinc/66/41/58/1413664158.db2.gz CBFVVTDRVLZHBV-UHFFFAOYSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001700282483 1413728149 /nfs/dbraw/zinc/72/81/49/1413728149.db2.gz DMBIJBLUJWGUGV-UHFFFAOYSA-N 2 2 347.503 3.184 10 0 EGAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700375640 1413903190 /nfs/dbraw/zinc/90/31/90/1413903190.db2.gz IOYBDRBYWQDLCP-ARJAWSKDSA-N 2 2 326.444 3.017 10 0 EGAELP CC[C@@H](F)C[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001700502334 1414150624 /nfs/dbraw/zinc/15/06/24/1414150624.db2.gz RBKVCPKDCPRZAN-HZPDHXFCSA-N 2 2 348.466 3.387 10 0 EGAELP CCC[NH2+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001700514238 1414165072 /nfs/dbraw/zinc/16/50/72/1414165072.db2.gz NXUMWNJEVNGQCA-UHFFFAOYSA-N 2 2 340.471 3.305 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700977506 1414614026 /nfs/dbraw/zinc/61/40/26/1414614026.db2.gz SDBKCMGERHWNDB-UHFFFAOYSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700977506 1414614030 /nfs/dbraw/zinc/61/40/30/1414614030.db2.gz SDBKCMGERHWNDB-UHFFFAOYSA-N 2 2 328.460 3.145 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001732626717 1428889836 /nfs/dbraw/zinc/88/98/36/1428889836.db2.gz IXAUIRRLRYSYRF-RBUKOAKNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732706556 1428918459 /nfs/dbraw/zinc/91/84/59/1428918459.db2.gz PGVNTMCCXTWCRJ-CABCVRRESA-N 2 2 330.476 3.343 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CCC1CC1 ZINC001707176550 1417229678 /nfs/dbraw/zinc/22/96/78/1417229678.db2.gz SWWYGOXHKKVIEL-DNVCBOLYSA-N 2 2 346.519 3.058 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001707447075 1417351134 /nfs/dbraw/zinc/35/11/34/1417351134.db2.gz XPHZMMNDNWNJPI-DLBZAZTESA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001713004942 1417559467 /nfs/dbraw/zinc/55/94/67/1417559467.db2.gz YYJDSXOXOHACFJ-IEBWSBKVSA-N 2 2 348.535 3.148 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001713004944 1417559686 /nfs/dbraw/zinc/55/96/86/1417559686.db2.gz YYJDSXOXOHACFJ-PKOBYXMFSA-N 2 2 348.535 3.148 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)C)CC[C@H]21 ZINC001713184851 1417760823 /nfs/dbraw/zinc/76/08/23/1417760823.db2.gz RRMVZUBUHQEZEH-IEBWSBKVSA-N 2 2 346.519 3.010 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC(C)C)CC[C@H]21 ZINC001713184851 1417760826 /nfs/dbraw/zinc/76/08/26/1417760826.db2.gz RRMVZUBUHQEZEH-IEBWSBKVSA-N 2 2 346.519 3.010 10 0 EGAELP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713252527 1417845229 /nfs/dbraw/zinc/84/52/29/1417845229.db2.gz BBCMRIIVSNPZQE-GOSISDBHSA-N 2 2 348.535 3.478 10 0 EGAELP CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713252527 1417845233 /nfs/dbraw/zinc/84/52/33/1417845233.db2.gz BBCMRIIVSNPZQE-GOSISDBHSA-N 2 2 348.535 3.478 10 0 EGAELP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001713265014 1417872845 /nfs/dbraw/zinc/87/28/45/1417872845.db2.gz OMJMZLYOFHNNTI-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001713277711 1417900851 /nfs/dbraw/zinc/90/08/51/1417900851.db2.gz LPHJUAOGNJCOFN-FUHWJXTLSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001713277711 1417900853 /nfs/dbraw/zinc/90/08/53/1417900853.db2.gz LPHJUAOGNJCOFN-FUHWJXTLSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001713290085 1417917201 /nfs/dbraw/zinc/91/72/01/1417917201.db2.gz HHYNPSXVKMMWDJ-FAEJEUNOSA-N 2 2 346.519 3.186 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001713290085 1417917205 /nfs/dbraw/zinc/91/72/05/1417917205.db2.gz HHYNPSXVKMMWDJ-FAEJEUNOSA-N 2 2 346.519 3.186 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733076728 1429231223 /nfs/dbraw/zinc/23/12/23/1429231223.db2.gz HKQULGPACKMCGW-RDJZCZTQSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713440005 1418073314 /nfs/dbraw/zinc/07/33/14/1418073314.db2.gz ZCAYIFDFZPACMT-MSOLQXFVSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713440005 1418073320 /nfs/dbraw/zinc/07/33/20/1418073320.db2.gz ZCAYIFDFZPACMT-MSOLQXFVSA-N 2 2 332.492 3.161 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+]3CCCC(C)C)ccn12 ZINC001713506303 1418227846 /nfs/dbraw/zinc/22/78/46/1418227846.db2.gz SEHGCYGHFMOESY-GOSISDBHSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3CCCC(C)C)ccn12 ZINC001713506303 1418227851 /nfs/dbraw/zinc/22/78/51/1418227851.db2.gz SEHGCYGHFMOESY-GOSISDBHSA-N 2 2 342.487 3.273 10 0 EGAELP CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001713717458 1418484800 /nfs/dbraw/zinc/48/48/00/1418484800.db2.gz LXAIDYDFDICPLV-MOPGFXCFSA-N 2 2 346.519 3.193 10 0 EGAELP CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001713717458 1418484801 /nfs/dbraw/zinc/48/48/01/1418484801.db2.gz LXAIDYDFDICPLV-MOPGFXCFSA-N 2 2 346.519 3.193 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713732741 1418522171 /nfs/dbraw/zinc/52/21/71/1418522171.db2.gz NINAOFCRAIKPTK-REMYHPOOSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713732741 1418522174 /nfs/dbraw/zinc/52/21/74/1418522174.db2.gz NINAOFCRAIKPTK-REMYHPOOSA-N 2 2 340.471 3.132 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714044729 1418838179 /nfs/dbraw/zinc/83/81/79/1418838179.db2.gz UNUPZGUVDKAAKX-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714044729 1418838183 /nfs/dbraw/zinc/83/81/83/1418838183.db2.gz 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/nfs/dbraw/zinc/81/48/06/1424814806.db2.gz YIGXDCBWYPHMEO-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001724325551 1424814810 /nfs/dbraw/zinc/81/48/10/1424814810.db2.gz YIGXDCBWYPHMEO-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724551248 1424908020 /nfs/dbraw/zinc/90/80/20/1424908020.db2.gz ADXDVJQRZHENQQ-PWHGLLLSSA-N 2 2 346.519 3.260 10 0 EGAELP CCC(=CC(=O)NCC[NH+]1CCC([NH2+]CCC(C)(C)C)CC1)CC ZINC001733580340 1429784328 /nfs/dbraw/zinc/78/43/28/1429784328.db2.gz ZECJGUZTRNOURL-UHFFFAOYSA-N 2 2 337.552 3.339 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724735354 1425088931 /nfs/dbraw/zinc/08/89/31/1425088931.db2.gz XVEVYUYJYDAYNA-IAGOWNOFSA-N 2 2 348.535 3.198 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001724755181 1425125445 /nfs/dbraw/zinc/12/54/45/1425125445.db2.gz YYPXVNVSVZZCEZ-IYARVYRRSA-N 2 2 346.519 3.187 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001724834580 1425181651 /nfs/dbraw/zinc/18/16/51/1425181651.db2.gz MBUOLVBWMYUFMA-GOSISDBHSA-N 2 2 342.487 3.417 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001724834580 1425181652 /nfs/dbraw/zinc/18/16/52/1425181652.db2.gz MBUOLVBWMYUFMA-GOSISDBHSA-N 2 2 342.487 3.417 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724970650 1425369975 /nfs/dbraw/zinc/36/99/75/1425369975.db2.gz MYQSHAUSDFFGGY-LLHDCHNASA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724970650 1425369978 /nfs/dbraw/zinc/36/99/78/1425369978.db2.gz MYQSHAUSDFFGGY-LLHDCHNASA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724970650 1425369980 /nfs/dbraw/zinc/36/99/80/1425369980.db2.gz MYQSHAUSDFFGGY-LLHDCHNASA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724970650 1425369983 /nfs/dbraw/zinc/36/99/83/1425369983.db2.gz MYQSHAUSDFFGGY-LLHDCHNASA-N 2 2 346.519 3.161 10 0 EGAELP CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001725143939 1425623951 /nfs/dbraw/zinc/62/39/51/1425623951.db2.gz XMBPOUAFDWKLTC-HNNXBMFYSA-N 2 2 336.524 3.047 10 0 EGAELP C[C@@H](CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001725147872 1425630932 /nfs/dbraw/zinc/63/09/32/1425630932.db2.gz BBLKZJSNELWJHM-HNNXBMFYSA-N 2 2 348.516 3.170 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725242520 1425850710 /nfs/dbraw/zinc/85/07/10/1425850710.db2.gz OUCGIPCMFDAOKP-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725242520 1425850721 /nfs/dbraw/zinc/85/07/21/1425850721.db2.gz OUCGIPCMFDAOKP-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725242520 1425850726 /nfs/dbraw/zinc/85/07/26/1425850726.db2.gz OUCGIPCMFDAOKP-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725242520 1425850730 /nfs/dbraw/zinc/85/07/30/1425850730.db2.gz OUCGIPCMFDAOKP-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CCCC[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725420538 1426068977 /nfs/dbraw/zinc/06/89/77/1426068977.db2.gz OCVMQLLZALDUHR-SFHVURJKSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725420538 1426068981 /nfs/dbraw/zinc/06/89/81/1426068981.db2.gz OCVMQLLZALDUHR-SFHVURJKSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001725606861 1426264144 /nfs/dbraw/zinc/26/41/44/1426264144.db2.gz IZUBAECBPWXNRR-PXNSSMCTSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001725606861 1426264148 /nfs/dbraw/zinc/26/41/48/1426264148.db2.gz IZUBAECBPWXNRR-PXNSSMCTSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725766002 1426449039 /nfs/dbraw/zinc/44/90/39/1426449039.db2.gz CECIVUYIARUIEC-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725774075 1426458056 /nfs/dbraw/zinc/45/80/56/1426458056.db2.gz CECIVUYIARUIEC-SJORKVTESA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001731270687 1427217662 /nfs/dbraw/zinc/21/76/62/1427217662.db2.gz XPTIMUFKESQQGO-QGZVFWFLSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001731270687 1427217664 /nfs/dbraw/zinc/21/76/64/1427217664.db2.gz XPTIMUFKESQQGO-QGZVFWFLSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001731384143 1427325450 /nfs/dbraw/zinc/32/54/50/1427325450.db2.gz AIBULTIBUZBKDO-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001731385399 1427329766 /nfs/dbraw/zinc/32/97/66/1427329766.db2.gz BCLDHHNSVCALPS-QZTJIDSGSA-N 2 2 344.503 3.016 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001731385399 1427329767 /nfs/dbraw/zinc/32/97/67/1427329767.db2.gz BCLDHHNSVCALPS-QZTJIDSGSA-N 2 2 344.503 3.016 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731549379 1427566865 /nfs/dbraw/zinc/56/68/65/1427566865.db2.gz SUTIHXVLIIDTLA-HNNXBMFYSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731597911 1427640672 /nfs/dbraw/zinc/64/06/72/1427640672.db2.gz FFEDIRVUFNTWAM-RDJZCZTQSA-N 2 2 334.508 3.001 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC(C)C)c[nH+]1 ZINC001733933066 1437746687 /nfs/dbraw/zinc/74/66/87/1437746687.db2.gz SJBVRRAZJUSRRV-GOSISDBHSA-N 2 2 348.535 3.286 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC(C)C)c[nH+]1 ZINC001733933066 1437746688 /nfs/dbraw/zinc/74/66/88/1437746688.db2.gz SJBVRRAZJUSRRV-GOSISDBHSA-N 2 2 348.535 3.286 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001734553906 1438152350 /nfs/dbraw/zinc/15/23/50/1438152350.db2.gz LLBRHDWWTHZBKN-MRXNPFEDSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001734553906 1438152351 /nfs/dbraw/zinc/15/23/51/1438152351.db2.gz LLBRHDWWTHZBKN-MRXNPFEDSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001734553906 1438152353 /nfs/dbraw/zinc/15/23/53/1438152353.db2.gz LLBRHDWWTHZBKN-MRXNPFEDSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001734553906 1438152356 /nfs/dbraw/zinc/15/23/56/1438152356.db2.gz LLBRHDWWTHZBKN-MRXNPFEDSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001734565650 1438161407 /nfs/dbraw/zinc/16/14/07/1438161407.db2.gz ZJWYIUNTHZSXCD-IRXDYDNUSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530119 168369070 /nfs/dbraw/zinc/36/90/70/168369070.db2.gz ISIQGYPORBNCQG-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530119 168369072 /nfs/dbraw/zinc/36/90/72/168369072.db2.gz ISIQGYPORBNCQG-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530119 168369076 /nfs/dbraw/zinc/36/90/76/168369076.db2.gz ISIQGYPORBNCQG-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000178324832 232136641 /nfs/dbraw/zinc/13/66/41/232136641.db2.gz NPIAPIIUWICMEN-OAHLLOKOSA-N 2 2 335.249 3.014 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Br)cn1 ZINC000178324832 232136644 /nfs/dbraw/zinc/13/66/44/232136644.db2.gz NPIAPIIUWICMEN-OAHLLOKOSA-N 2 2 335.249 3.014 10 0 EGAELP CCOc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039279941 213232384 /nfs/dbraw/zinc/23/23/84/213232384.db2.gz YMEGHBVNUSFIKI-UHFFFAOYSA-N 2 2 338.249 3.224 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000129383181 223050281 /nfs/dbraw/zinc/05/02/81/223050281.db2.gz AVDFOHGDPBDEIO-AUUYWEPGSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000129383181 223050283 /nfs/dbraw/zinc/05/02/83/223050283.db2.gz AVDFOHGDPBDEIO-AUUYWEPGSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129857545 223098722 /nfs/dbraw/zinc/09/87/22/223098722.db2.gz IFJGYOACTYKONB-KVSKMBFKSA-N 2 2 340.471 3.410 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129857545 223098725 /nfs/dbraw/zinc/09/87/25/223098725.db2.gz IFJGYOACTYKONB-KVSKMBFKSA-N 2 2 340.471 3.410 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000377683082 169059003 /nfs/dbraw/zinc/05/90/03/169059003.db2.gz STOLLAJPDFQNRJ-GOSISDBHSA-N 2 2 348.393 3.245 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341695661 285030507 /nfs/dbraw/zinc/03/05/07/285030507.db2.gz BTHFBTKINDOICA-WBVHZDCISA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341695661 285030510 /nfs/dbraw/zinc/03/05/10/285030510.db2.gz BTHFBTKINDOICA-WBVHZDCISA-N 2 2 338.879 3.254 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCO1 ZINC000328644547 258022658 /nfs/dbraw/zinc/02/26/58/258022658.db2.gz RUPPMRLOLIPHEA-UJFKTDLFSA-N 2 2 331.382 3.351 10 0 EGAELP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328641246 258023604 /nfs/dbraw/zinc/02/36/04/258023604.db2.gz QNAWDSPZJUHLJJ-IMFGXOCKSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328641246 258023605 /nfs/dbraw/zinc/02/36/05/258023605.db2.gz QNAWDSPZJUHLJJ-IMFGXOCKSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328641246 258023607 /nfs/dbraw/zinc/02/36/07/258023607.db2.gz QNAWDSPZJUHLJJ-IMFGXOCKSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328641246 258023609 /nfs/dbraw/zinc/02/36/09/258023609.db2.gz QNAWDSPZJUHLJJ-IMFGXOCKSA-N 2 2 326.488 3.496 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696541 141025307 /nfs/dbraw/zinc/02/53/07/141025307.db2.gz MQGGTLCUMIKFJS-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696541 141025312 /nfs/dbraw/zinc/02/53/12/141025312.db2.gz MQGGTLCUMIKFJS-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696541 141025315 /nfs/dbraw/zinc/02/53/15/141025315.db2.gz MQGGTLCUMIKFJS-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246696541 141025321 /nfs/dbraw/zinc/02/53/21/141025321.db2.gz MQGGTLCUMIKFJS-RDTXWAMCSA-N 2 2 346.425 3.067 10 0 EGAELP FC(F)(F)c1ccccc1[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184012349 144084089 /nfs/dbraw/zinc/08/40/89/144084089.db2.gz OISXCOOUFUJKSQ-MRXNPFEDSA-N 2 2 339.361 3.366 10 0 EGAELP FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184012349 144084090 /nfs/dbraw/zinc/08/40/90/144084090.db2.gz OISXCOOUFUJKSQ-MRXNPFEDSA-N 2 2 339.361 3.366 10 0 EGAELP COCCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000187164603 144153437 /nfs/dbraw/zinc/15/34/37/144153437.db2.gz LSFDCPFXCSIZDN-LJQANCHMSA-N 2 2 338.536 3.018 10 0 EGAELP COCCC1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000187164603 144153438 /nfs/dbraw/zinc/15/34/38/144153438.db2.gz LSFDCPFXCSIZDN-LJQANCHMSA-N 2 2 338.536 3.018 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351768237 144303878 /nfs/dbraw/zinc/30/38/78/144303878.db2.gz WRJBWGPMYWGPDH-KBXCAEBGSA-N 2 2 329.444 3.419 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000351775977 144305043 /nfs/dbraw/zinc/30/50/43/144305043.db2.gz WWKMQSOTDAXZKG-UZLBHIALSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000351775977 144305045 /nfs/dbraw/zinc/30/50/45/144305045.db2.gz WWKMQSOTDAXZKG-UZLBHIALSA-N 2 2 335.455 3.367 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000121363182 152345855 /nfs/dbraw/zinc/34/58/55/152345855.db2.gz RQFFHHZRUHGETD-OAHLLOKOSA-N 2 2 341.455 3.418 10 0 EGAELP CN(c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1)C1CC1 ZINC000121398625 152348548 /nfs/dbraw/zinc/34/85/48/152348548.db2.gz GMIHCDGXWWJZGP-UHFFFAOYSA-N 2 2 334.533 3.050 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110264 153242893 /nfs/dbraw/zinc/24/28/93/153242893.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 3 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110264 153242896 /nfs/dbraw/zinc/24/28/96/153242896.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110264 153242900 /nfs/dbraw/zinc/24/29/00/153242900.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110264 153242905 /nfs/dbraw/zinc/24/29/05/153242905.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000338276584 163203063 /nfs/dbraw/zinc/20/30/63/163203063.db2.gz BODUGZWQZZBRFQ-HNNXBMFYSA-N 2 2 345.409 3.285 10 0 EGAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000338276584 163203065 /nfs/dbraw/zinc/20/30/65/163203065.db2.gz BODUGZWQZZBRFQ-HNNXBMFYSA-N 2 2 345.409 3.285 10 0 EGAELP CO[C@@H](C)c1nc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000344325605 164156738 /nfs/dbraw/zinc/15/67/38/164156738.db2.gz ICJZEEVSVFLZPC-NSHDSACASA-N 2 2 334.470 3.388 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346159804 164352574 /nfs/dbraw/zinc/35/25/74/164352574.db2.gz DCOFQKXUOFCUJN-OAHLLOKOSA-N 2 2 333.457 3.240 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346159804 164352576 /nfs/dbraw/zinc/35/25/76/164352576.db2.gz DCOFQKXUOFCUJN-OAHLLOKOSA-N 2 2 333.457 3.240 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000346163260 164354508 /nfs/dbraw/zinc/35/45/08/164354508.db2.gz FTTUIGGRGNNZJL-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000346163260 164354510 /nfs/dbraw/zinc/35/45/10/164354510.db2.gz FTTUIGGRGNNZJL-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP Cc1noc([C@@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000346169308 164355892 /nfs/dbraw/zinc/35/58/92/164355892.db2.gz JBIJNJCOJFSOKE-CYBMUJFWSA-N 2 2 329.429 3.005 10 0 EGAELP Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000346169308 164355893 /nfs/dbraw/zinc/35/58/93/164355893.db2.gz JBIJNJCOJFSOKE-CYBMUJFWSA-N 2 2 329.429 3.005 10 0 EGAELP CCSCC[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000355755177 166299163 /nfs/dbraw/zinc/29/91/63/166299163.db2.gz NOAHEMWGPRUNNY-UHFFFAOYSA-N 2 2 341.952 3.195 10 0 EGAELP COCc1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000359114639 167070978 /nfs/dbraw/zinc/07/09/78/167070978.db2.gz FJUCGQUIJZNCGB-UHFFFAOYSA-N 2 2 325.522 3.424 10 0 EGAELP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000359794177 167233787 /nfs/dbraw/zinc/23/37/87/167233787.db2.gz BRLMOUJJLXRWSW-HNNXBMFYSA-N 2 2 341.484 3.358 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000122039425 222000743 /nfs/dbraw/zinc/00/07/43/222000743.db2.gz QNMGFKCCZCXTRC-FQEVSTJZSA-N 2 2 347.466 3.118 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000122039425 222000748 /nfs/dbraw/zinc/00/07/48/222000748.db2.gz QNMGFKCCZCXTRC-FQEVSTJZSA-N 2 2 347.466 3.118 10 0 EGAELP COc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123594446 222301951 /nfs/dbraw/zinc/30/19/51/222301951.db2.gz KTZKCXJAULILKA-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123594446 222301954 /nfs/dbraw/zinc/30/19/54/222301954.db2.gz KTZKCXJAULILKA-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123594446 222301956 /nfs/dbraw/zinc/30/19/56/222301956.db2.gz KTZKCXJAULILKA-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123594446 222301958 /nfs/dbraw/zinc/30/19/58/222301958.db2.gz KTZKCXJAULILKA-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP Cc1[nH+]c2ccccc2c(NCC(C)(C)[NH+]2CCS(=O)CC2)c1C ZINC000273331695 267022106 /nfs/dbraw/zinc/02/21/06/267022106.db2.gz MAFGJZPZWBKWOC-UHFFFAOYSA-N 2 2 345.512 3.106 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)[nH]1 ZINC000274270490 267209952 /nfs/dbraw/zinc/20/99/52/267209952.db2.gz ANIANOFLRKEOHR-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229760 298143540 /nfs/dbraw/zinc/14/35/40/298143540.db2.gz OEWFJYKEBFDQGK-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229760 298143546 /nfs/dbraw/zinc/14/35/46/298143546.db2.gz OEWFJYKEBFDQGK-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401178 308002081 /nfs/dbraw/zinc/00/20/81/308002081.db2.gz LONHLQTYEODROP-SUMWQHHRSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401178 308002083 /nfs/dbraw/zinc/00/20/83/308002083.db2.gz LONHLQTYEODROP-SUMWQHHRSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401178 308002085 /nfs/dbraw/zinc/00/20/85/308002085.db2.gz LONHLQTYEODROP-SUMWQHHRSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401178 308002087 /nfs/dbraw/zinc/00/20/87/308002087.db2.gz LONHLQTYEODROP-SUMWQHHRSA-N 2 2 338.879 3.289 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000294619882 308238702 /nfs/dbraw/zinc/23/87/02/308238702.db2.gz OQBMXNABNGWPGW-MGPUTAFESA-N 2 2 339.414 3.266 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000294877997 308266978 /nfs/dbraw/zinc/26/69/78/308266978.db2.gz XDIRKUWHOFEPCU-CQSZACIVSA-N 2 2 338.224 3.452 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068737 308287625 /nfs/dbraw/zinc/28/76/25/308287625.db2.gz ZVEXDKWEAPYCPP-XJKSGUPXSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068737 308287626 /nfs/dbraw/zinc/28/76/26/308287626.db2.gz ZVEXDKWEAPYCPP-XJKSGUPXSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068737 308287628 /nfs/dbraw/zinc/28/76/28/308287628.db2.gz ZVEXDKWEAPYCPP-XJKSGUPXSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068737 308287629 /nfs/dbraw/zinc/28/76/29/308287629.db2.gz ZVEXDKWEAPYCPP-XJKSGUPXSA-N 2 2 338.879 3.289 10 0 EGAELP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000414835343 309104674 /nfs/dbraw/zinc/10/46/74/309104674.db2.gz RPIKDZRCUSSWAO-INIZCTEOSA-N 2 2 332.831 3.291 10 0 EGAELP Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c(C)[nH+]1 ZINC000301436406 308700222 /nfs/dbraw/zinc/70/02/22/308700222.db2.gz JXFPJTWPHSWNJD-BETUJISGSA-N 2 2 341.459 3.023 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1Br ZINC000313269666 308764995 /nfs/dbraw/zinc/76/49/95/308764995.db2.gz ZMKWUHWOWROCLD-LLVKDONJSA-N 2 2 338.249 3.085 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCc3sccc32)nc[nH+]1 ZINC000329105018 308777921 /nfs/dbraw/zinc/77/79/21/308777921.db2.gz CWWOCINZJSEPFJ-ZFWWWQNUSA-N 2 2 343.500 3.216 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000413063866 309014266 /nfs/dbraw/zinc/01/42/66/309014266.db2.gz RTAHQURDBQEFEZ-GJZGRUSLSA-N 2 2 346.272 3.458 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000413063866 309014267 /nfs/dbraw/zinc/01/42/67/309014267.db2.gz RTAHQURDBQEFEZ-GJZGRUSLSA-N 2 2 346.272 3.458 10 0 EGAELP C[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000415016704 309114427 /nfs/dbraw/zinc/11/44/27/309114427.db2.gz ONSABCWLNAJICD-VHSXEESVSA-N 2 2 340.290 3.398 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072389 309118321 /nfs/dbraw/zinc/11/83/21/309118321.db2.gz YBVVICRRFWHKHS-AWEZNQCLSA-N 2 2 327.266 3.065 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372475 309284845 /nfs/dbraw/zinc/28/48/45/309284845.db2.gz MJQYUCDCQWMHAW-HFSMHLIXSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372475 309284846 /nfs/dbraw/zinc/28/48/46/309284846.db2.gz MJQYUCDCQWMHAW-HFSMHLIXSA-N 2 2 343.515 3.108 10 0 EGAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420377209 309285026 /nfs/dbraw/zinc/28/50/26/309285026.db2.gz PMOGUJDJTNVEAV-JOCHJYFZSA-N 2 2 349.478 3.368 10 0 EGAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420377209 309285027 /nfs/dbraw/zinc/28/50/27/309285027.db2.gz PMOGUJDJTNVEAV-JOCHJYFZSA-N 2 2 349.478 3.368 10 0 EGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000420977190 309305245 /nfs/dbraw/zinc/30/52/45/309305245.db2.gz RTRNRDOJLQORLM-UHFFFAOYSA-N 2 2 344.499 3.054 10 0 EGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000420977190 309305246 /nfs/dbraw/zinc/30/52/46/309305246.db2.gz RTRNRDOJLQORLM-UHFFFAOYSA-N 2 2 344.499 3.054 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](O)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422705144 309364067 /nfs/dbraw/zinc/36/40/67/309364067.db2.gz QYQCHCZYESQRNT-ZCNNSNEGSA-N 2 2 332.488 3.019 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422756153 309366756 /nfs/dbraw/zinc/36/67/56/309366756.db2.gz GIWPDQVKDJCOHM-VQTJNVASSA-N 2 2 328.431 3.460 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422782890 309368042 /nfs/dbraw/zinc/36/80/42/309368042.db2.gz NPUORUFFEIQFQS-WCIQWLHISA-N 2 2 344.499 3.426 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422791651 309368446 /nfs/dbraw/zinc/36/84/46/309368446.db2.gz WJHTXRZVJPJWMD-WOJBJXKFSA-N 3 2 342.487 3.063 10 0 EGAELP Clc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422910329 309375770 /nfs/dbraw/zinc/37/57/70/309375770.db2.gz QIWYVMARNMIADA-MSOLQXFVSA-N 2 2 334.891 3.118 10 0 EGAELP CCCC(O)(CCC)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422981584 309379314 /nfs/dbraw/zinc/37/93/14/309379314.db2.gz SZOJZZSISGHUNX-OALUTQOASA-N 2 2 334.504 3.409 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422983439 309379529 /nfs/dbraw/zinc/37/95/29/309379529.db2.gz ZMYSKYSPVQNKSP-HSALFYBXSA-N 2 2 334.504 3.265 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423071981 309384462 /nfs/dbraw/zinc/38/44/62/309384462.db2.gz IKCWTVNSORXBDS-PCCBWWKXSA-N 2 2 346.515 3.409 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423230652 309391323 /nfs/dbraw/zinc/39/13/23/309391323.db2.gz DYRFMCANKPCYRW-GXTWGEPZSA-N 2 2 325.250 3.004 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1Cl ZINC000423234542 309391907 /nfs/dbraw/zinc/39/19/07/309391907.db2.gz PYLJDSNXCXQTDH-LBPRGKRZSA-N 2 2 334.826 3.457 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000423245789 309392144 /nfs/dbraw/zinc/39/21/44/309392144.db2.gz JMAIIPQLXWBXKO-AABGKKOBSA-N 2 2 338.451 3.458 10 0 EGAELP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423272091 309393316 /nfs/dbraw/zinc/39/33/16/309393316.db2.gz YJTIMFXELUHASZ-SCLBCKFNSA-N 2 2 347.894 3.479 10 0 EGAELP CS[C@@H]1CC[C@@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000425353894 309475442 /nfs/dbraw/zinc/47/54/42/309475442.db2.gz NKXKMGZHOIDXQZ-RYQLBKOJSA-N 2 2 334.529 3.370 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449015593 310029331 /nfs/dbraw/zinc/02/93/31/310029331.db2.gz FJALSBVHDLZGNY-INIZCTEOSA-N 2 2 325.460 3.327 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449015593 310029332 /nfs/dbraw/zinc/02/93/32/310029332.db2.gz FJALSBVHDLZGNY-INIZCTEOSA-N 2 2 325.460 3.327 10 0 EGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449102730 310037107 /nfs/dbraw/zinc/03/71/07/310037107.db2.gz LEWGYENQRDYTNA-YGRLFVJLSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449102730 310037108 /nfs/dbraw/zinc/03/71/08/310037108.db2.gz LEWGYENQRDYTNA-YGRLFVJLSA-N 2 2 327.241 3.259 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398363 310058755 /nfs/dbraw/zinc/05/87/55/310058755.db2.gz YAOMEQYGXRUDFV-VQTJNVASSA-N 2 2 332.463 3.198 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398363 310058756 /nfs/dbraw/zinc/05/87/56/310058756.db2.gz YAOMEQYGXRUDFV-VQTJNVASSA-N 2 2 332.463 3.198 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428023 310178114 /nfs/dbraw/zinc/17/81/14/310178114.db2.gz KDEZERIHOJSMKY-GOSISDBHSA-N 2 2 337.414 3.217 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428023 310178115 /nfs/dbraw/zinc/17/81/15/310178115.db2.gz KDEZERIHOJSMKY-GOSISDBHSA-N 2 2 337.414 3.217 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000453078142 310256505 /nfs/dbraw/zinc/25/65/05/310256505.db2.gz BPWJWCYRAACESR-QUCCMNQESA-N 2 2 346.515 3.306 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000453078140 310256542 /nfs/dbraw/zinc/25/65/42/310256542.db2.gz BPWJWCYRAACESR-AZUAARDMSA-N 2 2 346.515 3.306 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cnn[nH]2)cc1 ZINC000453122629 310259351 /nfs/dbraw/zinc/25/93/51/310259351.db2.gz ONLQIALKPGBLID-IBGZPJMESA-N 2 2 345.466 3.279 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cn[nH]n2)cc1 ZINC000453122629 310259352 /nfs/dbraw/zinc/25/93/52/310259352.db2.gz ONLQIALKPGBLID-IBGZPJMESA-N 2 2 345.466 3.279 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2c[nH]nn2)cc1 ZINC000453122629 310259353 /nfs/dbraw/zinc/25/93/53/310259353.db2.gz ONLQIALKPGBLID-IBGZPJMESA-N 2 2 345.466 3.279 10 0 EGAELP COC1([C@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000453229190 310265530 /nfs/dbraw/zinc/26/55/30/310265530.db2.gz WKQCFRFODYZDJG-SFHVURJKSA-N 2 2 338.536 3.206 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)(F)F ZINC000453259768 310267354 /nfs/dbraw/zinc/26/73/54/310267354.db2.gz IMBSMXLBFDROOC-KBPBESRZSA-N 2 2 346.393 3.083 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c(Br)c1 ZINC000459668826 310567458 /nfs/dbraw/zinc/56/74/58/310567458.db2.gz UHQOSNPZBJAQAC-LLVKDONJSA-N 2 2 338.249 3.085 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516613 311260188 /nfs/dbraw/zinc/26/01/88/311260188.db2.gz VRZCGMOGLWRPDF-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516613 311260189 /nfs/dbraw/zinc/26/01/89/311260189.db2.gz VRZCGMOGLWRPDF-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291246 312181594 /nfs/dbraw/zinc/18/15/94/312181594.db2.gz GMAAQPQCDVSAOB-PZJWPPBQSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291246 312181596 /nfs/dbraw/zinc/18/15/96/312181596.db2.gz GMAAQPQCDVSAOB-PZJWPPBQSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291246 312181598 /nfs/dbraw/zinc/18/15/98/312181598.db2.gz GMAAQPQCDVSAOB-PZJWPPBQSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291246 312181599 /nfs/dbraw/zinc/18/15/99/312181599.db2.gz GMAAQPQCDVSAOB-PZJWPPBQSA-N 2 2 344.499 3.172 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557886 312189021 /nfs/dbraw/zinc/18/90/21/312189021.db2.gz ZMXHHQJRCGCHDT-NWDGAFQWSA-N 2 2 343.334 3.472 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557886 312189023 /nfs/dbraw/zinc/18/90/23/312189023.db2.gz ZMXHHQJRCGCHDT-NWDGAFQWSA-N 2 2 343.334 3.472 10 0 EGAELP CCOc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)cc1OC ZINC000527636273 312894167 /nfs/dbraw/zinc/89/41/67/312894167.db2.gz SJLQOYWAFLZOTN-UHFFFAOYSA-N 2 2 338.467 3.443 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OCC(C)C ZINC000530177140 313490623 /nfs/dbraw/zinc/49/06/23/313490623.db2.gz HDQFAINJVOOEHQ-IBGZPJMESA-N 2 2 332.488 3.494 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)[nH+]1 ZINC000535747050 314067353 /nfs/dbraw/zinc/06/73/53/314067353.db2.gz OREBLQVMYPZKDF-UHFFFAOYSA-N 2 2 335.411 3.372 10 0 EGAELP c1nc(-c2ccccn2)sc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000537624729 314197493 /nfs/dbraw/zinc/19/74/93/314197493.db2.gz SUSYWGXOTZGYPD-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083053 314295159 /nfs/dbraw/zinc/29/51/59/314295159.db2.gz FVMKLVDQEAECCV-WBMJQRKESA-N 2 2 346.862 3.005 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083053 314295162 /nfs/dbraw/zinc/29/51/62/314295162.db2.gz FVMKLVDQEAECCV-WBMJQRKESA-N 2 2 346.862 3.005 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000571932029 317267581 /nfs/dbraw/zinc/26/75/81/317267581.db2.gz STOWFFBTCXGRKR-LSDHHAIUSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000571932029 317267584 /nfs/dbraw/zinc/26/75/84/317267584.db2.gz STOWFFBTCXGRKR-LSDHHAIUSA-N 2 2 346.272 3.177 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(F)(F)F)c(C)c1 ZINC000572475813 317344283 /nfs/dbraw/zinc/34/42/83/317344283.db2.gz UZIQJNOEWYFFKI-GOEBONIOSA-N 2 2 341.377 3.144 10 0 EGAELP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645310 323244526 /nfs/dbraw/zinc/24/45/26/323244526.db2.gz JZOIEXDIVDKPSH-QZTJIDSGSA-N 2 2 346.519 3.146 10 0 EGAELP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645310 323244529 /nfs/dbraw/zinc/24/45/29/323244529.db2.gz JZOIEXDIVDKPSH-QZTJIDSGSA-N 2 2 346.519 3.146 10 0 EGAELP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCC2 ZINC000181479971 323486221 /nfs/dbraw/zinc/48/62/21/323486221.db2.gz VGBTUYULQDYBRF-OALUTQOASA-N 2 2 325.456 3.369 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350644563 324110855 /nfs/dbraw/zinc/11/08/55/324110855.db2.gz OLCHPGQNVYVEBY-OAHLLOKOSA-N 2 2 325.416 3.163 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350644563 324110857 /nfs/dbraw/zinc/11/08/57/324110857.db2.gz OLCHPGQNVYVEBY-OAHLLOKOSA-N 2 2 325.416 3.163 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000389282297 324278680 /nfs/dbraw/zinc/27/86/80/324278680.db2.gz UXBNPBBXUZPNPT-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000389282297 324278684 /nfs/dbraw/zinc/27/86/84/324278684.db2.gz UXBNPBBXUZPNPT-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000576513552 324628593 /nfs/dbraw/zinc/62/85/93/324628593.db2.gz JRUSPKOTILOUJO-UHFFFAOYSA-N 2 2 343.446 3.455 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579592345 325132543 /nfs/dbraw/zinc/13/25/43/325132543.db2.gz QCOWGFONFIHWKO-DLBZAZTESA-N 2 2 328.485 3.312 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579592345 325132546 /nfs/dbraw/zinc/13/25/46/325132546.db2.gz QCOWGFONFIHWKO-DLBZAZTESA-N 2 2 328.485 3.312 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@@H](C)C1 ZINC000580008664 325188469 /nfs/dbraw/zinc/18/84/69/325188469.db2.gz VHCLZCVAMPTSED-DOTOQJQBSA-N 2 2 337.508 3.199 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@@H](C)C1 ZINC000580008664 325188473 /nfs/dbraw/zinc/18/84/73/325188473.db2.gz VHCLZCVAMPTSED-DOTOQJQBSA-N 2 2 337.508 3.199 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580892265 325306325 /nfs/dbraw/zinc/30/63/25/325306325.db2.gz BUGHSMZHSXZFOW-HXUWFJFHSA-N 2 2 329.488 3.132 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580892265 325306326 /nfs/dbraw/zinc/30/63/26/325306326.db2.gz BUGHSMZHSXZFOW-HXUWFJFHSA-N 2 2 329.488 3.132 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1C ZINC000581082580 325328806 /nfs/dbraw/zinc/32/88/06/325328806.db2.gz LBJZVVCJLJZLSH-IAGOWNOFSA-N 2 2 336.842 3.056 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000173345619 455270107 /nfs/dbraw/zinc/27/01/07/455270107.db2.gz VBBDAHYXQJPXTG-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1cccs1 ZINC000631886265 460589963 /nfs/dbraw/zinc/58/99/63/460589963.db2.gz GNIOAJQPDCTMKJ-IIDMSEBBSA-N 2 2 349.544 3.025 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1cccs1 ZINC000631886265 460589971 /nfs/dbraw/zinc/58/99/71/460589971.db2.gz GNIOAJQPDCTMKJ-IIDMSEBBSA-N 2 2 349.544 3.025 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886554 460589620 /nfs/dbraw/zinc/58/96/20/460589620.db2.gz KBAUPDCOFRGLAN-SJLPKXTDSA-N 2 2 329.488 3.131 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886554 460589627 /nfs/dbraw/zinc/58/96/27/460589627.db2.gz KBAUPDCOFRGLAN-SJLPKXTDSA-N 2 2 329.488 3.131 10 0 EGAELP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc21 ZINC000181782013 455382345 /nfs/dbraw/zinc/38/23/45/455382345.db2.gz ATTYCUKVLIDRIY-HOTGVXAUSA-N 2 2 346.471 3.450 10 0 EGAELP CCOc1cc2c(cc1C[NH2+]C[C@@H]1CCCn3cc[nH+]c31)O[C@@H](C)C2 ZINC000084805226 454011127 /nfs/dbraw/zinc/01/11/27/454011127.db2.gz HJPOGPKEYGCBHO-GJZGRUSLSA-N 2 2 341.455 3.272 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1-c1ccccn1 ZINC000089545055 454161060 /nfs/dbraw/zinc/16/10/60/454161060.db2.gz LJIPTNIFQQHQIE-HNNXBMFYSA-N 2 2 346.438 3.117 10 0 EGAELP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000089668856 454175823 /nfs/dbraw/zinc/17/58/23/454175823.db2.gz NIXVCQJPVHRSFA-FQEVSTJZSA-N 2 2 325.456 3.023 10 0 EGAELP Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078456045 454255700 /nfs/dbraw/zinc/25/57/00/454255700.db2.gz ZQCWXIXMMQFMNA-KRWDZBQOSA-N 2 2 325.460 3.158 10 0 EGAELP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078456045 454255707 /nfs/dbraw/zinc/25/57/07/454255707.db2.gz ZQCWXIXMMQFMNA-KRWDZBQOSA-N 2 2 325.460 3.158 10 0 EGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000120315972 454285877 /nfs/dbraw/zinc/28/58/77/454285877.db2.gz RDUNBRGSXLGMRB-KBPBESRZSA-N 2 2 340.899 3.018 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218392 454406910 /nfs/dbraw/zinc/40/69/10/454406910.db2.gz HHQPQNIUBHPDLP-QFBILLFUSA-N 2 2 342.487 3.196 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218392 454406912 /nfs/dbraw/zinc/40/69/12/454406912.db2.gz HHQPQNIUBHPDLP-QFBILLFUSA-N 2 2 342.487 3.196 10 0 EGAELP C[NH+](C)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000134982556 454620410 /nfs/dbraw/zinc/62/04/10/454620410.db2.gz AUMHHZLUJYNIAO-UHFFFAOYSA-N 2 2 344.286 3.348 10 0 EGAELP Cc1ccc(C)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000105862973 454662278 /nfs/dbraw/zinc/66/22/78/454662278.db2.gz UASLBRZSWBAVNI-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1ccc(C)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000105862973 454662283 /nfs/dbraw/zinc/66/22/83/454662283.db2.gz UASLBRZSWBAVNI-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139871659 454813099 /nfs/dbraw/zinc/81/30/99/454813099.db2.gz LAQLZOSJJYJNLF-MJGOQNOKSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139871659 454813102 /nfs/dbraw/zinc/81/31/02/454813102.db2.gz LAQLZOSJJYJNLF-MJGOQNOKSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139871659 454813103 /nfs/dbraw/zinc/81/31/03/454813103.db2.gz LAQLZOSJJYJNLF-MJGOQNOKSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139871659 454813106 /nfs/dbraw/zinc/81/31/06/454813106.db2.gz LAQLZOSJJYJNLF-MJGOQNOKSA-N 2 2 329.488 3.165 10 0 EGAELP Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)nc(-c2ccncc2)[nH+]1 ZINC000140924251 454825209 /nfs/dbraw/zinc/82/52/09/454825209.db2.gz OFPGTIALPKIBGW-UHFFFAOYSA-N 2 2 345.450 3.317 10 0 EGAELP Cc1cc(NCC[N@H+]2CCc3ccccc3C2)nc(-c2ccncc2)[nH+]1 ZINC000140924251 454825213 /nfs/dbraw/zinc/82/52/13/454825213.db2.gz OFPGTIALPKIBGW-UHFFFAOYSA-N 2 2 345.450 3.317 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000177142340 454827590 /nfs/dbraw/zinc/82/75/90/454827590.db2.gz VHQSAVRXNBHYRV-HNNXBMFYSA-N 2 2 345.443 3.225 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000177142340 454827593 /nfs/dbraw/zinc/82/75/93/454827593.db2.gz VHQSAVRXNBHYRV-HNNXBMFYSA-N 2 2 345.443 3.225 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000163349038 454841533 /nfs/dbraw/zinc/84/15/33/454841533.db2.gz JYSRVPMJSKZSJA-ZIAGYGMSSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000163349038 454841537 /nfs/dbraw/zinc/84/15/37/454841537.db2.gz JYSRVPMJSKZSJA-ZIAGYGMSSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000163376041 454842995 /nfs/dbraw/zinc/84/29/95/454842995.db2.gz JMUZUEBMKTXSPZ-KGLIPLIRSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000163376041 454842998 /nfs/dbraw/zinc/84/29/98/454842998.db2.gz JMUZUEBMKTXSPZ-KGLIPLIRSA-N 2 2 330.394 3.467 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409371 454845329 /nfs/dbraw/zinc/84/53/29/454845329.db2.gz FHIPRSZMJVMUCH-ZBFHGGJFSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409371 454845334 /nfs/dbraw/zinc/84/53/34/454845334.db2.gz FHIPRSZMJVMUCH-ZBFHGGJFSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409250 454845521 /nfs/dbraw/zinc/84/55/21/454845521.db2.gz FHIPRSZMJVMUCH-GOEBONIOSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409250 454845527 /nfs/dbraw/zinc/84/55/27/454845527.db2.gz FHIPRSZMJVMUCH-GOEBONIOSA-N 2 2 342.430 3.440 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000163437253 454847547 /nfs/dbraw/zinc/84/75/47/454847547.db2.gz IPAPABQIJAOBNH-JSGCOSHPSA-N 2 2 346.393 3.189 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000163437253 454847551 /nfs/dbraw/zinc/84/75/51/454847551.db2.gz IPAPABQIJAOBNH-JSGCOSHPSA-N 2 2 346.393 3.189 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150794513 454893849 /nfs/dbraw/zinc/89/38/49/454893849.db2.gz DVBCSQNWJBCQHA-HZPDHXFCSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150794513 454893850 /nfs/dbraw/zinc/89/38/50/454893850.db2.gz DVBCSQNWJBCQHA-HZPDHXFCSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(I)cc1 ZINC000154623554 454913340 /nfs/dbraw/zinc/91/33/40/454913340.db2.gz NWRVJPBCCRZICG-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(I)cc1 ZINC000154623554 454913335 /nfs/dbraw/zinc/91/33/35/454913335.db2.gz NWRVJPBCCRZICG-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000151267682 454961611 /nfs/dbraw/zinc/96/16/11/454961611.db2.gz VVXCOHLZHJCWQK-JSGCOSHPSA-N 2 2 331.287 3.491 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747625 454972089 /nfs/dbraw/zinc/97/20/89/454972089.db2.gz GSIHWWOWXWFBEA-OAHLLOKOSA-N 2 2 341.434 3.365 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(O)c1 ZINC000178757824 454973909 /nfs/dbraw/zinc/97/39/09/454973909.db2.gz MWGWLUDBIFLJLN-GUXCAODWSA-N 2 2 325.456 3.348 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(O)c1 ZINC000178757824 454973913 /nfs/dbraw/zinc/97/39/13/454973913.db2.gz MWGWLUDBIFLJLN-GUXCAODWSA-N 2 2 325.456 3.348 10 0 EGAELP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152107703 455073986 /nfs/dbraw/zinc/07/39/86/455073986.db2.gz IEBAIXLSYWFLDD-NRFANRHFSA-N 2 2 335.451 3.279 10 0 EGAELP c1ccc(N2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000156246850 455097182 /nfs/dbraw/zinc/09/71/82/455097182.db2.gz XSNKSWMOSKGABD-UHFFFAOYSA-N 2 2 336.483 3.309 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129654808 455120390 /nfs/dbraw/zinc/12/03/90/455120390.db2.gz HOVWNMZFYVOKJM-QZTJIDSGSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129654808 455120395 /nfs/dbraw/zinc/12/03/95/455120395.db2.gz HOVWNMZFYVOKJM-QZTJIDSGSA-N 2 2 334.508 3.195 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(Cl)nc2ccccn21 ZINC000180121656 455135394 /nfs/dbraw/zinc/13/53/94/455135394.db2.gz DGAAPAKREOEFLE-CQSZACIVSA-N 2 2 329.835 3.157 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(Cl)nc2ccccn21 ZINC000180121656 455135398 /nfs/dbraw/zinc/13/53/98/455135398.db2.gz DGAAPAKREOEFLE-CQSZACIVSA-N 2 2 329.835 3.157 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424177 455293903 /nfs/dbraw/zinc/29/39/03/455293903.db2.gz JYJCIAWYBGWFDV-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424177 455293907 /nfs/dbraw/zinc/29/39/07/455293907.db2.gz JYJCIAWYBGWFDV-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424177 455293913 /nfs/dbraw/zinc/29/39/13/455293913.db2.gz JYJCIAWYBGWFDV-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424177 455293917 /nfs/dbraw/zinc/29/39/17/455293917.db2.gz JYJCIAWYBGWFDV-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299376 455294624 /nfs/dbraw/zinc/29/46/24/455294624.db2.gz JBUHXKIVWGLWKL-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299376 455294630 /nfs/dbraw/zinc/29/46/30/455294630.db2.gz JBUHXKIVWGLWKL-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299376 455294632 /nfs/dbraw/zinc/29/46/32/455294632.db2.gz JBUHXKIVWGLWKL-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299376 455294639 /nfs/dbraw/zinc/29/46/39/455294639.db2.gz JBUHXKIVWGLWKL-KDOFPFPSSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000245425366 455295802 /nfs/dbraw/zinc/29/58/02/455295802.db2.gz KQMIGJZGFBLYFS-LNLFQRSKSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000245425366 455295804 /nfs/dbraw/zinc/29/58/04/455295804.db2.gz KQMIGJZGFBLYFS-LNLFQRSKSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000245425366 455295806 /nfs/dbraw/zinc/29/58/06/455295806.db2.gz KQMIGJZGFBLYFS-LNLFQRSKSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000245425366 455295813 /nfs/dbraw/zinc/29/58/13/455295813.db2.gz KQMIGJZGFBLYFS-LNLFQRSKSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442008 455300066 /nfs/dbraw/zinc/30/00/66/455300066.db2.gz VWPQTSZMZGRLJS-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442008 455300072 /nfs/dbraw/zinc/30/00/72/455300072.db2.gz VWPQTSZMZGRLJS-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442008 455300073 /nfs/dbraw/zinc/30/00/73/455300073.db2.gz VWPQTSZMZGRLJS-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442008 455300078 /nfs/dbraw/zinc/30/00/78/455300078.db2.gz VWPQTSZMZGRLJS-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442799 455301340 /nfs/dbraw/zinc/30/13/40/455301340.db2.gz WPDKAJFLJCLWIJ-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442799 455301343 /nfs/dbraw/zinc/30/13/43/455301343.db2.gz WPDKAJFLJCLWIJ-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442799 455301346 /nfs/dbraw/zinc/30/13/46/455301346.db2.gz WPDKAJFLJCLWIJ-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442799 455301349 /nfs/dbraw/zinc/30/13/49/455301349.db2.gz WPDKAJFLJCLWIJ-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000190464152 455324082 /nfs/dbraw/zinc/32/40/82/455324082.db2.gz HWAZRBRHAISMFQ-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000190464152 455324087 /nfs/dbraw/zinc/32/40/87/455324087.db2.gz HWAZRBRHAISMFQ-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000190464152 455324093 /nfs/dbraw/zinc/32/40/93/455324093.db2.gz HWAZRBRHAISMFQ-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000190464152 455324097 /nfs/dbraw/zinc/32/40/97/455324097.db2.gz HWAZRBRHAISMFQ-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000158860613 455333942 /nfs/dbraw/zinc/33/39/42/455333942.db2.gz KAGDSNCLACJAJC-MRXNPFEDSA-N 2 2 345.535 3.169 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000158860613 455333947 /nfs/dbraw/zinc/33/39/47/455333947.db2.gz KAGDSNCLACJAJC-MRXNPFEDSA-N 2 2 345.535 3.169 10 0 EGAELP c1cn(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867472 455388089 /nfs/dbraw/zinc/38/80/89/455388089.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867472 455388093 /nfs/dbraw/zinc/38/80/93/455388093.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867472 455388097 /nfs/dbraw/zinc/38/80/97/455388097.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867472 455388100 /nfs/dbraw/zinc/38/81/00/455388100.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 3 2 338.499 3.260 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)cc[nH+]1 ZINC000184766488 455444790 /nfs/dbraw/zinc/44/47/90/455444790.db2.gz VGVLBDSYGOAHTE-UHFFFAOYSA-N 2 2 345.450 3.169 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885111 455469063 /nfs/dbraw/zinc/46/90/63/455469063.db2.gz ZWANVPKOYYGIFJ-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885111 455469065 /nfs/dbraw/zinc/46/90/65/455469065.db2.gz ZWANVPKOYYGIFJ-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885111 455469067 /nfs/dbraw/zinc/46/90/67/455469067.db2.gz ZWANVPKOYYGIFJ-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885111 455469070 /nfs/dbraw/zinc/46/90/70/455469070.db2.gz ZWANVPKOYYGIFJ-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP Cc1ccccc1CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175905463 455514239 /nfs/dbraw/zinc/51/42/39/455514239.db2.gz RBSINJULKPPSHG-UHFFFAOYSA-N 2 2 340.515 3.221 10 0 EGAELP Cc1ccccc1CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175905463 455514242 /nfs/dbraw/zinc/51/42/42/455514242.db2.gz RBSINJULKPPSHG-UHFFFAOYSA-N 2 2 340.515 3.221 10 0 EGAELP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000247442571 455600497 /nfs/dbraw/zinc/60/04/97/455600497.db2.gz XFNJFUKXUBUXFE-CABCVRRESA-N 2 2 331.464 3.161 10 0 EGAELP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000247442571 455600498 /nfs/dbraw/zinc/60/04/98/455600498.db2.gz XFNJFUKXUBUXFE-CABCVRRESA-N 2 2 331.464 3.161 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000192448240 455619004 /nfs/dbraw/zinc/61/90/04/455619004.db2.gz CUFRCMFVLSVPOR-GZNCHQMQSA-N 2 2 344.499 3.363 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000192448240 455619006 /nfs/dbraw/zinc/61/90/06/455619006.db2.gz CUFRCMFVLSVPOR-GZNCHQMQSA-N 2 2 344.499 3.363 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000247740596 455642324 /nfs/dbraw/zinc/64/23/24/455642324.db2.gz VXVMCYVYWOAYCM-PBHICJAKSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000247740596 455642328 /nfs/dbraw/zinc/64/23/28/455642328.db2.gz VXVMCYVYWOAYCM-PBHICJAKSA-N 2 2 346.862 3.367 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000247881368 455652473 /nfs/dbraw/zinc/65/24/73/455652473.db2.gz BVDHWVLNGUWNBH-UXPWSPDFSA-N 2 2 337.467 3.405 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000247881368 455652478 /nfs/dbraw/zinc/65/24/78/455652478.db2.gz BVDHWVLNGUWNBH-UXPWSPDFSA-N 2 2 337.467 3.405 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573724 455689393 /nfs/dbraw/zinc/68/93/93/455689393.db2.gz ZBCUEEQQHWYEGS-FXAWDEMLSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573724 455689398 /nfs/dbraw/zinc/68/93/98/455689398.db2.gz ZBCUEEQQHWYEGS-FXAWDEMLSA-N 2 2 338.499 3.148 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1cccs1 ZINC000249649834 455766270 /nfs/dbraw/zinc/76/62/70/455766270.db2.gz USBPFLUTOCMIHE-RHSMWYFYSA-N 2 2 347.532 3.267 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1cccs1 ZINC000249649834 455766274 /nfs/dbraw/zinc/76/62/74/455766274.db2.gz USBPFLUTOCMIHE-RHSMWYFYSA-N 2 2 347.532 3.267 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000606580306 460699519 /nfs/dbraw/zinc/69/95/19/460699519.db2.gz IZDPTLRDPYWRNE-UHFFFAOYSA-N 2 2 341.459 3.064 10 0 EGAELP c1c[nH]c([C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2cccnc2)n1 ZINC000194967897 455906485 /nfs/dbraw/zinc/90/64/85/455906485.db2.gz SABFWRBMAKIJTO-HXUWFJFHSA-N 2 2 347.466 3.280 10 0 EGAELP c1c[nH+]c([C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2cccnc2)[nH]1 ZINC000194967897 455906495 /nfs/dbraw/zinc/90/64/95/455906495.db2.gz SABFWRBMAKIJTO-HXUWFJFHSA-N 2 2 347.466 3.280 10 0 EGAELP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)CC(C)C ZINC000620615782 460706318 /nfs/dbraw/zinc/70/63/18/460706318.db2.gz MXWMAKUHFLNVFZ-GOSISDBHSA-N 2 2 341.503 3.437 10 0 EGAELP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262703085 456054952 /nfs/dbraw/zinc/05/49/52/456054952.db2.gz KAZULGDWSIMPAU-KSSFIOAISA-N 2 2 337.895 3.063 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000236950017 456207546 /nfs/dbraw/zinc/20/75/46/456207546.db2.gz UFNDASLVUCNAFY-CVEARBPZSA-N 2 2 326.444 3.416 10 0 EGAELP C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000275751154 456303274 /nfs/dbraw/zinc/30/32/74/456303274.db2.gz QGMYRKNVKXNTEE-SFHVURJKSA-N 2 2 337.471 3.240 10 0 EGAELP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000275751154 456303282 /nfs/dbraw/zinc/30/32/82/456303282.db2.gz QGMYRKNVKXNTEE-SFHVURJKSA-N 2 2 337.471 3.240 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048551 456399410 /nfs/dbraw/zinc/39/94/10/456399410.db2.gz LXWNAMCKJFBBGO-APWZRJJASA-N 2 2 343.446 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048551 456399419 /nfs/dbraw/zinc/39/94/19/456399419.db2.gz LXWNAMCKJFBBGO-APWZRJJASA-N 2 2 343.446 3.272 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352964103 456425743 /nfs/dbraw/zinc/42/57/43/456425743.db2.gz AVTNMPDBKXCGQU-BPQTVZERSA-N 2 2 337.458 3.028 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352964103 456425749 /nfs/dbraw/zinc/42/57/49/456425749.db2.gz AVTNMPDBKXCGQU-BPQTVZERSA-N 2 2 337.458 3.028 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281969 456506473 /nfs/dbraw/zinc/50/64/73/456506473.db2.gz ABWDJRFDMCZMRY-XYPHTWIQSA-N 2 2 339.886 3.156 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281969 456506481 /nfs/dbraw/zinc/50/64/81/456506481.db2.gz ABWDJRFDMCZMRY-XYPHTWIQSA-N 2 2 339.886 3.156 10 0 EGAELP OC[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1c1ccccc1 ZINC000353254150 456589492 /nfs/dbraw/zinc/58/94/92/456589492.db2.gz VADPPYOOTWPXOH-RBUKOAKNSA-N 2 2 339.464 3.190 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889483 456610432 /nfs/dbraw/zinc/61/04/32/456610432.db2.gz HLYVSJINABGWOQ-SJORKVTESA-N 2 2 337.533 3.122 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889483 456610438 /nfs/dbraw/zinc/61/04/38/456610438.db2.gz HLYVSJINABGWOQ-SJORKVTESA-N 2 2 337.533 3.122 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000325087511 456677616 /nfs/dbraw/zinc/67/76/16/456677616.db2.gz IYSHUIDOSZMNRG-CABCVRRESA-N 2 2 346.500 3.337 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000325087511 456677625 /nfs/dbraw/zinc/67/76/25/456677625.db2.gz IYSHUIDOSZMNRG-CABCVRRESA-N 2 2 346.500 3.337 10 0 EGAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328622914 456722158 /nfs/dbraw/zinc/72/21/58/456722158.db2.gz BPMQILDVCGUYCC-KRWDZBQOSA-N 2 2 325.460 3.009 10 0 EGAELP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000291803663 456763630 /nfs/dbraw/zinc/76/36/30/456763630.db2.gz ZOFPIQXPMKAZMV-MRXNPFEDSA-N 2 2 344.503 3.439 10 0 EGAELP Cc1nc(N2CC[NH+](CCc3ccc4ccccc4c3)CC2)cc[nH+]1 ZINC000353572479 456772367 /nfs/dbraw/zinc/77/23/67/456772367.db2.gz RZSYNVXMWNYFBT-UHFFFAOYSA-N 2 2 332.451 3.303 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353630791 456815127 /nfs/dbraw/zinc/81/51/27/456815127.db2.gz NUNPEVNTAUVDEY-JSGCOSHPSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353630791 456815132 /nfs/dbraw/zinc/81/51/32/456815132.db2.gz NUNPEVNTAUVDEY-JSGCOSHPSA-N 2 2 332.245 3.307 10 0 EGAELP CCC[N@H+](C)[C@@H](C[NH2+][C@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660100 456837782 /nfs/dbraw/zinc/83/77/82/456837782.db2.gz LIMAISLKRYXVLO-MSOLQXFVSA-N 2 2 349.910 3.383 10 0 EGAELP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660100 456837788 /nfs/dbraw/zinc/83/77/88/456837788.db2.gz LIMAISLKRYXVLO-MSOLQXFVSA-N 2 2 349.910 3.383 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000338637743 456848686 /nfs/dbraw/zinc/84/86/86/456848686.db2.gz OWWSACUZQIPPAU-LEWJYISDSA-N 2 2 345.531 3.295 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@H+](Cc2ccccc2)C1 ZINC000338957327 456877116 /nfs/dbraw/zinc/87/71/16/456877116.db2.gz YYCGRIJLPRVIRY-YVWKXTFCSA-N 2 2 338.499 3.298 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@@H+](Cc2ccccc2)C1 ZINC000338957327 456877121 /nfs/dbraw/zinc/87/71/21/456877121.db2.gz YYCGRIJLPRVIRY-YVWKXTFCSA-N 2 2 338.499 3.298 10 0 EGAELP C[NH+](C)[C@]1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCSC1 ZINC000339068008 456925576 /nfs/dbraw/zinc/92/55/76/456925576.db2.gz OZUAXRNTLAQKGB-WDSOQIARSA-N 2 2 334.529 3.181 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2nccn21 ZINC000345347755 456975698 /nfs/dbraw/zinc/97/56/98/456975698.db2.gz FFNFGTZKXCDAQE-RUGGUXRKSA-N 2 2 336.483 3.389 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2nccn21 ZINC000345347755 456975703 /nfs/dbraw/zinc/97/57/03/456975703.db2.gz FFNFGTZKXCDAQE-RUGGUXRKSA-N 2 2 336.483 3.389 10 0 EGAELP Cc1cccn2c(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH+]c12 ZINC000349820010 457065392 /nfs/dbraw/zinc/06/53/92/457065392.db2.gz RWRFLZCDDRYXSS-IBGZPJMESA-N 2 2 334.467 3.349 10 0 EGAELP Cc1cccn2c(CN(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH+]c12 ZINC000349820010 457065397 /nfs/dbraw/zinc/06/53/97/457065397.db2.gz RWRFLZCDDRYXSS-IBGZPJMESA-N 2 2 334.467 3.349 10 0 EGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000339362055 457068439 /nfs/dbraw/zinc/06/84/39/457068439.db2.gz QKJOLOYGLXLRRX-KRWDZBQOSA-N 2 2 337.552 3.077 10 0 EGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000339362055 457068442 /nfs/dbraw/zinc/06/84/42/457068442.db2.gz QKJOLOYGLXLRRX-KRWDZBQOSA-N 2 2 337.552 3.077 10 0 EGAELP CCc1cccc(F)c1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000354126707 457080029 /nfs/dbraw/zinc/08/00/29/457080029.db2.gz YANMGFQCRSWZMQ-UHFFFAOYSA-N 2 2 328.435 3.147 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433228 457115020 /nfs/dbraw/zinc/11/50/20/457115020.db2.gz CTKOEFFNTVWYMD-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433228 457115024 /nfs/dbraw/zinc/11/50/24/457115024.db2.gz CTKOEFFNTVWYMD-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433228 457115030 /nfs/dbraw/zinc/11/50/30/457115030.db2.gz CTKOEFFNTVWYMD-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433228 457115037 /nfs/dbraw/zinc/11/50/37/457115037.db2.gz CTKOEFFNTVWYMD-BEFAXECRSA-N 2 2 326.444 3.215 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226873 457143278 /nfs/dbraw/zinc/14/32/78/457143278.db2.gz XSHMQISLDMNCNQ-ZBFHGGJFSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226873 457143287 /nfs/dbraw/zinc/14/32/87/457143287.db2.gz XSHMQISLDMNCNQ-ZBFHGGJFSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354226873 457143290 /nfs/dbraw/zinc/14/32/90/457143290.db2.gz XSHMQISLDMNCNQ-ZBFHGGJFSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354226873 457143297 /nfs/dbraw/zinc/14/32/97/457143297.db2.gz XSHMQISLDMNCNQ-ZBFHGGJFSA-N 2 2 332.467 3.500 10 0 EGAELP Cc1cc[nH+]c(N2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)c1 ZINC000350483547 457183554 /nfs/dbraw/zinc/18/35/54/457183554.db2.gz UXPQGONGGUQTBU-UHFFFAOYSA-N 2 2 347.466 3.113 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991695 457191550 /nfs/dbraw/zinc/19/15/50/457191550.db2.gz HPZQPLGKAODIQB-KKUMJFAQSA-N 2 2 345.878 3.198 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991695 457191555 /nfs/dbraw/zinc/19/15/55/457191555.db2.gz HPZQPLGKAODIQB-KKUMJFAQSA-N 2 2 345.878 3.198 10 0 EGAELP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000356877200 457193154 /nfs/dbraw/zinc/19/31/54/457193154.db2.gz SDJIRFSGLATWDF-QGZVFWFLSA-N 2 2 339.483 3.327 10 0 EGAELP CC[C@@H]1C[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965337 457247782 /nfs/dbraw/zinc/24/77/82/457247782.db2.gz KMSWIQDBEGELNP-GHTZIAJQSA-N 2 2 345.531 3.226 10 0 EGAELP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965337 457247788 /nfs/dbraw/zinc/24/77/88/457247788.db2.gz KMSWIQDBEGELNP-GHTZIAJQSA-N 2 2 345.531 3.226 10 0 EGAELP C[N@H+](C[C@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352115947 457338929 /nfs/dbraw/zinc/33/89/29/457338929.db2.gz QFRWHDJZWGAVBZ-KRWDZBQOSA-N 2 2 340.870 3.056 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352115947 457338932 /nfs/dbraw/zinc/33/89/32/457338932.db2.gz QFRWHDJZWGAVBZ-KRWDZBQOSA-N 2 2 340.870 3.056 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360841480 457378750 /nfs/dbraw/zinc/37/87/50/457378750.db2.gz RXWHMTYBNKYSJY-GOEBONIOSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360841480 457378759 /nfs/dbraw/zinc/37/87/59/457378759.db2.gz RXWHMTYBNKYSJY-GOEBONIOSA-N 2 2 344.421 3.337 10 0 EGAELP CN(C)c1[nH+]cc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1C ZINC000425328040 457500196 /nfs/dbraw/zinc/50/01/96/457500196.db2.gz QVVBJSAQWGDAFP-UHFFFAOYSA-N 2 2 337.471 3.347 10 0 EGAELP Fc1ccccc1-n1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000364232814 457537637 /nfs/dbraw/zinc/53/76/37/457537637.db2.gz BCPLGKSIOWUASB-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000361232412 457659413 /nfs/dbraw/zinc/65/94/13/457659413.db2.gz OAILSXRCXLUDPE-IBGZPJMESA-N 2 2 349.434 3.453 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000361232412 457659415 /nfs/dbraw/zinc/65/94/15/457659415.db2.gz OAILSXRCXLUDPE-IBGZPJMESA-N 2 2 349.434 3.453 10 0 EGAELP COC(=O)[C@H]1CCC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361281960 457677756 /nfs/dbraw/zinc/67/77/56/457677756.db2.gz RBZMKQYFEQFCFT-KRWDZBQOSA-N 2 2 343.471 3.400 10 0 EGAELP COC(=O)[C@H]1CCC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361281960 457677759 /nfs/dbraw/zinc/67/77/59/457677759.db2.gz RBZMKQYFEQFCFT-KRWDZBQOSA-N 2 2 343.471 3.400 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000361380417 457712252 /nfs/dbraw/zinc/71/22/52/457712252.db2.gz XVFZKTNETVXQEA-UPCLLVRISA-N 2 2 347.528 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000361380417 457712253 /nfs/dbraw/zinc/71/22/53/457712253.db2.gz XVFZKTNETVXQEA-UPCLLVRISA-N 2 2 347.528 3.215 10 0 EGAELP COC(=O)[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000361395100 457716581 /nfs/dbraw/zinc/71/65/81/457716581.db2.gz LJSQKLGKILYYLT-GOSISDBHSA-N 2 2 329.444 3.056 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000358062610 457761683 /nfs/dbraw/zinc/76/16/83/457761683.db2.gz NNGISNYHIMLMRC-CQSZACIVSA-N 2 2 347.894 3.444 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](=O)C(C)(C)C ZINC000371211972 457828903 /nfs/dbraw/zinc/82/89/03/457828903.db2.gz FSROEQJFPBAQQQ-WLENULPWSA-N 2 2 336.545 3.034 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](=O)C(C)(C)C ZINC000371211972 457828909 /nfs/dbraw/zinc/82/89/09/457828909.db2.gz FSROEQJFPBAQQQ-WLENULPWSA-N 2 2 336.545 3.034 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000433785600 457884936 /nfs/dbraw/zinc/88/49/36/457884936.db2.gz SLBUVMFFTLUEPP-CZUORRHYSA-N 2 2 341.484 3.245 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000433785600 457884942 /nfs/dbraw/zinc/88/49/42/457884942.db2.gz SLBUVMFFTLUEPP-CZUORRHYSA-N 2 2 341.484 3.245 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298906 457918760 /nfs/dbraw/zinc/91/87/60/457918760.db2.gz MMKDPHQWOVAPAJ-JXFKEZNVSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298906 457918769 /nfs/dbraw/zinc/91/87/69/457918769.db2.gz MMKDPHQWOVAPAJ-JXFKEZNVSA-N 2 2 334.467 3.124 10 0 EGAELP OCCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000358309216 457924394 /nfs/dbraw/zinc/92/43/94/457924394.db2.gz WURXQWYGKWXPEO-UHFFFAOYSA-N 2 2 336.907 3.447 10 0 EGAELP C[NH+](CC1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC1CCOCC1 ZINC000362183520 458040879 /nfs/dbraw/zinc/04/08/79/458040879.db2.gz SCRQQBFUPIYZOT-BGYRXZFFSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](CC1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CCOCC1 ZINC000362183520 458040886 /nfs/dbraw/zinc/04/08/86/458040886.db2.gz SCRQQBFUPIYZOT-BGYRXZFFSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](CC1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)CC1CCOCC1 ZINC000362183520 458040893 /nfs/dbraw/zinc/04/08/93/458040893.db2.gz SCRQQBFUPIYZOT-BGYRXZFFSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](CC1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)CC1CCOCC1 ZINC000362183520 458040900 /nfs/dbraw/zinc/04/09/00/458040900.db2.gz SCRQQBFUPIYZOT-BGYRXZFFSA-N 2 2 338.536 3.014 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427897923 458047660 /nfs/dbraw/zinc/04/76/60/458047660.db2.gz ZHQFVEPZTXTUQW-QMMLZNLJSA-N 2 2 327.516 3.113 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427897923 458047667 /nfs/dbraw/zinc/04/76/67/458047667.db2.gz ZHQFVEPZTXTUQW-QMMLZNLJSA-N 2 2 327.516 3.113 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427897915 458048414 /nfs/dbraw/zinc/04/84/14/458048414.db2.gz ZHQFVEPZTXTUQW-DUXKGJEZSA-N 2 2 327.516 3.113 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427897915 458048420 /nfs/dbraw/zinc/04/84/20/458048420.db2.gz ZHQFVEPZTXTUQW-DUXKGJEZSA-N 2 2 327.516 3.113 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435001841 458077995 /nfs/dbraw/zinc/07/79/95/458077995.db2.gz WOJHNYBCAIUQIE-HNNXBMFYSA-N 2 2 340.471 3.029 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000445817954 458093720 /nfs/dbraw/zinc/09/37/20/458093720.db2.gz HVFJEYWKABIUSK-PKOBYXMFSA-N 2 2 326.488 3.236 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000445817954 458093728 /nfs/dbraw/zinc/09/37/28/458093728.db2.gz HVFJEYWKABIUSK-PKOBYXMFSA-N 2 2 326.488 3.236 10 0 EGAELP CC(C)(C)c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000428290468 458113671 /nfs/dbraw/zinc/11/36/71/458113671.db2.gz XWCYATIXDMZIDT-IBGZPJMESA-N 2 2 330.516 3.181 10 0 EGAELP CC(C)(C)c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000428290468 458113677 /nfs/dbraw/zinc/11/36/77/458113677.db2.gz XWCYATIXDMZIDT-IBGZPJMESA-N 2 2 330.516 3.181 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739555 458183618 /nfs/dbraw/zinc/18/36/18/458183618.db2.gz BPNHIWAJDHIMLC-JJXUHFIVSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739555 458183621 /nfs/dbraw/zinc/18/36/21/458183621.db2.gz BPNHIWAJDHIMLC-JJXUHFIVSA-N 2 2 336.483 3.322 10 0 EGAELP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959735 458242545 /nfs/dbraw/zinc/24/25/45/458242545.db2.gz GVCVPNYXCWFADB-HOTGVXAUSA-N 2 2 325.460 3.258 10 0 EGAELP Cc1cnc([C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959735 458242551 /nfs/dbraw/zinc/24/25/51/458242551.db2.gz GVCVPNYXCWFADB-HOTGVXAUSA-N 2 2 325.460 3.258 10 0 EGAELP Cn1c[nH+]cc1CC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000459406046 458360709 /nfs/dbraw/zinc/36/07/09/458360709.db2.gz TVIWDZBIUSIWBS-UHFFFAOYSA-N 2 2 339.270 3.092 10 0 EGAELP [NH3+]C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512117 458447717 /nfs/dbraw/zinc/44/77/17/458447717.db2.gz UODMSAMUIJMLPS-WOZUAGRISA-N 3 2 327.516 3.289 10 0 EGAELP [NH3+]C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512117 458447718 /nfs/dbraw/zinc/44/77/18/458447718.db2.gz UODMSAMUIJMLPS-WOZUAGRISA-N 3 2 327.516 3.289 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322601 458856776 /nfs/dbraw/zinc/85/67/76/458856776.db2.gz UCAYDAOSBSVVOA-ZWKOTPCHSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322601 458856781 /nfs/dbraw/zinc/85/67/81/458856781.db2.gz UCAYDAOSBSVVOA-ZWKOTPCHSA-N 2 2 349.438 3.210 10 0 EGAELP C[NH+]1CCC(CNC(=O)C(C)(C)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000556359676 458952570 /nfs/dbraw/zinc/95/25/70/458952570.db2.gz UXSWDCPGOCPGBS-UHFFFAOYSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000577152977 458987350 /nfs/dbraw/zinc/98/73/50/458987350.db2.gz TZIWPQSQZOCWBC-OXQOHEQNSA-N 2 2 341.499 3.290 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000577152977 458987352 /nfs/dbraw/zinc/98/73/52/458987352.db2.gz TZIWPQSQZOCWBC-OXQOHEQNSA-N 2 2 341.499 3.290 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000577626917 459064691 /nfs/dbraw/zinc/06/46/91/459064691.db2.gz YVCHFAMYCVRIHA-INIZCTEOSA-N 2 2 337.533 3.028 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000577626917 459064699 /nfs/dbraw/zinc/06/46/99/459064699.db2.gz YVCHFAMYCVRIHA-INIZCTEOSA-N 2 2 337.533 3.028 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000595056188 459231073 /nfs/dbraw/zinc/23/10/73/459231073.db2.gz CKHRYOWWPMZPGY-FUHWJXTLSA-N 2 2 330.472 3.313 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000595056188 459231078 /nfs/dbraw/zinc/23/10/78/459231078.db2.gz CKHRYOWWPMZPGY-FUHWJXTLSA-N 2 2 330.472 3.313 10 0 EGAELP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000568238181 459255457 /nfs/dbraw/zinc/25/54/57/459255457.db2.gz OYTDNWMTLFLVME-QGZVFWFLSA-N 2 2 338.411 3.236 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559751867 459275851 /nfs/dbraw/zinc/27/58/51/459275851.db2.gz CWSDWXHOPMUIDL-IEBWSBKVSA-N 2 2 336.907 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559751867 459275855 /nfs/dbraw/zinc/27/58/55/459275855.db2.gz CWSDWXHOPMUIDL-IEBWSBKVSA-N 2 2 336.907 3.362 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc[nH+]cc2C)c(C)c1 ZINC000534325937 459313955 /nfs/dbraw/zinc/31/39/55/459313955.db2.gz BLISVTMSNHKXMR-IBGZPJMESA-N 2 2 349.438 3.188 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000560405135 459339779 /nfs/dbraw/zinc/33/97/79/459339779.db2.gz PCAHULWDUBZDAT-ZIAGYGMSSA-N 2 2 344.484 3.231 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC000560405135 459339782 /nfs/dbraw/zinc/33/97/82/459339782.db2.gz PCAHULWDUBZDAT-ZIAGYGMSSA-N 2 2 344.484 3.231 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)C2 ZINC000582341267 459348647 /nfs/dbraw/zinc/34/86/47/459348647.db2.gz MMURYQWPDKDLGR-OAHLLOKOSA-N 2 2 338.480 3.299 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)CC2 ZINC000582341267 459348653 /nfs/dbraw/zinc/34/86/53/459348653.db2.gz MMURYQWPDKDLGR-OAHLLOKOSA-N 2 2 338.480 3.299 10 0 EGAELP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1C ZINC000483192118 459349997 /nfs/dbraw/zinc/34/99/97/459349997.db2.gz CIBXBNFMZXQILY-FQEVSTJZSA-N 2 2 330.516 3.383 10 0 EGAELP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1C ZINC000483192118 459349999 /nfs/dbraw/zinc/34/99/99/459349999.db2.gz CIBXBNFMZXQILY-FQEVSTJZSA-N 2 2 330.516 3.383 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473949 459389238 /nfs/dbraw/zinc/38/92/38/459389238.db2.gz NHLJDDOWTPEHQA-FPOVZHCZSA-N 2 2 342.458 3.108 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473949 459389241 /nfs/dbraw/zinc/38/92/41/459389241.db2.gz NHLJDDOWTPEHQA-FPOVZHCZSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473949 459389247 /nfs/dbraw/zinc/38/92/47/459389247.db2.gz NHLJDDOWTPEHQA-FPOVZHCZSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000591473949 459389252 /nfs/dbraw/zinc/38/92/52/459389252.db2.gz NHLJDDOWTPEHQA-FPOVZHCZSA-N 2 2 342.458 3.108 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000484288537 459411912 /nfs/dbraw/zinc/41/19/12/459411912.db2.gz AVSZNOLGHQFXAE-CTNGQTDRSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000484288537 459411920 /nfs/dbraw/zinc/41/19/20/459411920.db2.gz AVSZNOLGHQFXAE-CTNGQTDRSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000484288537 459411924 /nfs/dbraw/zinc/41/19/24/459411924.db2.gz AVSZNOLGHQFXAE-CTNGQTDRSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000484288537 459411933 /nfs/dbraw/zinc/41/19/33/459411933.db2.gz AVSZNOLGHQFXAE-CTNGQTDRSA-N 2 2 344.499 3.111 10 0 EGAELP CC(C)(C)c1nnc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000541384695 459451424 /nfs/dbraw/zinc/45/14/24/459451424.db2.gz VZQMKHLQLDJGMG-UHFFFAOYSA-N 2 2 333.486 3.373 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866836 459457194 /nfs/dbraw/zinc/45/71/94/459457194.db2.gz GZPYUHQOWQTBBG-KRWDZBQOSA-N 2 2 338.411 3.384 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866836 459457199 /nfs/dbraw/zinc/45/71/99/459457199.db2.gz GZPYUHQOWQTBBG-KRWDZBQOSA-N 2 2 338.411 3.384 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000596073839 459509591 /nfs/dbraw/zinc/50/95/91/459509591.db2.gz BROYWRRYFTVMQI-UHFFFAOYSA-N 2 2 339.439 3.005 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000583363876 459526293 /nfs/dbraw/zinc/52/62/93/459526293.db2.gz FFCGDSPPSWBKNZ-CZAAIQMYSA-N 2 2 342.458 3.154 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000583363876 459526297 /nfs/dbraw/zinc/52/62/97/459526297.db2.gz FFCGDSPPSWBKNZ-CZAAIQMYSA-N 2 2 342.458 3.154 10 0 EGAELP Cn1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)n1 ZINC000542670646 459580572 /nfs/dbraw/zinc/58/05/72/459580572.db2.gz MWJBDBFXDITGLY-QGZVFWFLSA-N 2 2 329.835 3.039 10 0 EGAELP C[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC000543447526 459657850 /nfs/dbraw/zinc/65/78/50/459657850.db2.gz NJJRXNHRJYBYQF-IBGZPJMESA-N 2 2 338.495 3.487 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)[nH]1 ZINC000573707172 459722123 /nfs/dbraw/zinc/72/21/23/459722123.db2.gz BRZQCGHRRHEQNF-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP Clc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000563136207 459723216 /nfs/dbraw/zinc/72/32/16/459723216.db2.gz KYHNOQYWJSJYES-GOSISDBHSA-N 2 2 336.863 3.077 10 0 EGAELP Clc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000563136207 459723220 /nfs/dbraw/zinc/72/32/20/459723220.db2.gz KYHNOQYWJSJYES-GOSISDBHSA-N 2 2 336.863 3.077 10 0 EGAELP COc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000527781254 459733764 /nfs/dbraw/zinc/73/37/64/459733764.db2.gz KZHGRIVYLSOGKQ-UHFFFAOYSA-N 2 2 340.402 3.440 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000563217562 459741590 /nfs/dbraw/zinc/74/15/90/459741590.db2.gz NPRXMMQODWRGEM-GJZGRUSLSA-N 2 2 337.427 3.206 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(Cl)cc2)n1 ZINC000544571018 459768894 /nfs/dbraw/zinc/76/88/94/459768894.db2.gz WCSJWYUOHZTUAD-SFHVURJKSA-N 2 2 343.862 3.429 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C(=O)OC(C)(C)C ZINC000574158186 459785819 /nfs/dbraw/zinc/78/58/19/459785819.db2.gz LZFCTEYRXLHUQG-HOCLYGCPSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C(=O)OC(C)(C)C ZINC000574158186 459785824 /nfs/dbraw/zinc/78/58/24/459785824.db2.gz LZFCTEYRXLHUQG-HOCLYGCPSA-N 2 2 329.444 3.134 10 0 EGAELP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528001550 459792057 /nfs/dbraw/zinc/79/20/57/459792057.db2.gz HBNWYFANHBVZRD-RXVVDRJESA-N 2 2 349.478 3.068 10 0 EGAELP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528001550 459792062 /nfs/dbraw/zinc/79/20/62/459792062.db2.gz HBNWYFANHBVZRD-RXVVDRJESA-N 2 2 349.478 3.068 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c(C)n2n1 ZINC000528007785 459794493 /nfs/dbraw/zinc/79/44/93/459794493.db2.gz CHXHJCLYSDXXDY-WMLDXEAASA-N 2 2 327.476 3.014 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c(C)n2n1 ZINC000528007785 459794497 /nfs/dbraw/zinc/79/44/97/459794497.db2.gz CHXHJCLYSDXXDY-WMLDXEAASA-N 2 2 327.476 3.014 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717506 460022823 /nfs/dbraw/zinc/02/28/23/460022823.db2.gz GNWFIYCNSNMUKQ-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717506 460022826 /nfs/dbraw/zinc/02/28/26/460022826.db2.gz GNWFIYCNSNMUKQ-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717506 460022828 /nfs/dbraw/zinc/02/28/28/460022828.db2.gz GNWFIYCNSNMUKQ-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)[C@H](C)C1 ZINC000621717506 460022830 /nfs/dbraw/zinc/02/28/30/460022830.db2.gz GNWFIYCNSNMUKQ-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621724394 460028826 /nfs/dbraw/zinc/02/88/26/460028826.db2.gz HWIYZRXQJOSRPH-LJQANCHMSA-N 2 2 326.488 3.042 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621724394 460028834 /nfs/dbraw/zinc/02/88/34/460028834.db2.gz HWIYZRXQJOSRPH-LJQANCHMSA-N 2 2 326.488 3.042 10 0 EGAELP Fc1ccc(Br)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576754974 460206544 /nfs/dbraw/zinc/20/65/44/460206544.db2.gz AEJGOKHBBHVCTP-OAHLLOKOSA-N 2 2 327.241 3.164 10 0 EGAELP Fc1ccc(Br)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576754974 460206548 /nfs/dbraw/zinc/20/65/48/460206548.db2.gz AEJGOKHBBHVCTP-OAHLLOKOSA-N 2 2 327.241 3.164 10 0 EGAELP CC[N@H+](Cc1nnc(C)n1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062301 460358498 /nfs/dbraw/zinc/35/84/98/460358498.db2.gz OGIHZQAOHHREAE-UHFFFAOYSA-N 2 2 327.476 3.005 10 0 EGAELP CC[N@@H+](Cc1nnc(C)n1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062301 460358501 /nfs/dbraw/zinc/35/85/01/460358501.db2.gz OGIHZQAOHHREAE-UHFFFAOYSA-N 2 2 327.476 3.005 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000629525797 460795810 /nfs/dbraw/zinc/79/58/10/460795810.db2.gz CBHBOCARKAPJAW-RRFJBIMHSA-N 2 2 327.241 3.306 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056014 460839385 /nfs/dbraw/zinc/83/93/85/460839385.db2.gz VAUHXEHRCLCHSY-YJBOKZPZSA-N 2 2 347.466 3.336 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056014 460839392 /nfs/dbraw/zinc/83/93/92/460839392.db2.gz VAUHXEHRCLCHSY-YJBOKZPZSA-N 2 2 347.466 3.336 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@H]1C(F)(F)F ZINC000629656402 460851403 /nfs/dbraw/zinc/85/14/03/460851403.db2.gz OGTVGKVRALZTBQ-DZGCQCFKSA-N 2 2 338.377 3.036 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@H]1C(F)(F)F ZINC000629656402 460851411 /nfs/dbraw/zinc/85/14/11/460851411.db2.gz OGTVGKVRALZTBQ-DZGCQCFKSA-N 2 2 338.377 3.036 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629660524 460853865 /nfs/dbraw/zinc/85/38/65/460853865.db2.gz VNGNINVHOZBBAZ-LRDDRELGSA-N 2 2 332.879 3.373 10 0 EGAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000624189331 460902725 /nfs/dbraw/zinc/90/27/25/460902725.db2.gz FFLOKCPMVHCUEI-CRAIPNDOSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000624189331 460902731 /nfs/dbraw/zinc/90/27/31/460902731.db2.gz FFLOKCPMVHCUEI-CRAIPNDOSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC1CC1 ZINC000628254154 461064055 /nfs/dbraw/zinc/06/40/55/461064055.db2.gz OXSJYUZZZAVPCJ-GOSISDBHSA-N 2 2 340.423 3.285 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC1CC1 ZINC000628254154 461064058 /nfs/dbraw/zinc/06/40/58/461064058.db2.gz OXSJYUZZZAVPCJ-GOSISDBHSA-N 2 2 340.423 3.285 10 0 EGAELP Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc(C2CC2)[nH+]1 ZINC000624703463 461096495 /nfs/dbraw/zinc/09/64/95/461096495.db2.gz JOMGHKNUKNZJMP-UHFFFAOYSA-N 2 2 347.466 3.466 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229908 461129732 /nfs/dbraw/zinc/12/97/32/461129732.db2.gz ZSMYMVPBBFNWOC-INIZCTEOSA-N 2 2 339.361 3.334 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229908 461129743 /nfs/dbraw/zinc/12/97/43/461129743.db2.gz ZSMYMVPBBFNWOC-INIZCTEOSA-N 2 2 339.361 3.334 10 0 EGAELP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000662247999 461141380 /nfs/dbraw/zinc/14/13/80/461141380.db2.gz QNJOVSAPFCCQRS-GFCCVEGCSA-N 2 2 334.689 3.303 10 0 EGAELP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000662247999 461141390 /nfs/dbraw/zinc/14/13/90/461141390.db2.gz QNJOVSAPFCCQRS-GFCCVEGCSA-N 2 2 334.689 3.303 10 0 EGAELP Fc1cccc([C@@H]2COCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662312702 461184890 /nfs/dbraw/zinc/18/48/90/461184890.db2.gz ZCISMVSZOYLMTQ-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1cccc([C@@H]2COCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662312702 461184897 /nfs/dbraw/zinc/18/48/97/461184897.db2.gz ZCISMVSZOYLMTQ-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315400 461187598 /nfs/dbraw/zinc/18/75/98/461187598.db2.gz FCBSABDBEUXPER-SFHVURJKSA-N 2 2 343.471 3.193 10 0 EGAELP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315400 461187602 /nfs/dbraw/zinc/18/76/02/461187602.db2.gz FCBSABDBEUXPER-SFHVURJKSA-N 2 2 343.471 3.193 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000662318185 461189468 /nfs/dbraw/zinc/18/94/68/461189468.db2.gz XGFXVXXSSHIUAO-IBGZPJMESA-N 2 2 346.515 3.357 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000662318185 461189475 /nfs/dbraw/zinc/18/94/75/461189475.db2.gz XGFXVXXSSHIUAO-IBGZPJMESA-N 2 2 346.515 3.357 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000662323893 461192158 /nfs/dbraw/zinc/19/21/58/461192158.db2.gz TWJIJFHSRZFSSF-SFHVURJKSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000662323893 461192171 /nfs/dbraw/zinc/19/21/71/461192171.db2.gz TWJIJFHSRZFSSF-SFHVURJKSA-N 2 2 347.890 3.431 10 0 EGAELP Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000652593052 461283229 /nfs/dbraw/zinc/28/32/29/461283229.db2.gz HCFNUAZXCAGQDI-OAHLLOKOSA-N 2 2 345.491 3.019 10 0 EGAELP Clc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)s1 ZINC000655722820 461392035 /nfs/dbraw/zinc/39/20/35/461392035.db2.gz CYQDYJTYJWKTGD-LBPRGKRZSA-N 2 2 335.300 3.398 10 0 EGAELP Cc1ccc(-c2ncc(C[NH2+]CCc3cn(C)c[nH+]3)s2)cc1C ZINC000655780682 461443319 /nfs/dbraw/zinc/44/33/19/461443319.db2.gz CHOCMFYQKPOTPL-UHFFFAOYSA-N 2 2 326.469 3.493 10 0 EGAELP c1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n(CC2CCC2)n1 ZINC000631040436 461491224 /nfs/dbraw/zinc/49/12/24/461491224.db2.gz QCWOXJQPNNONHL-UHFFFAOYSA-N 2 2 335.455 3.218 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631057254 461511786 /nfs/dbraw/zinc/51/17/86/461511786.db2.gz SQKDJUKNMYTFDK-NSHDSACASA-N 2 2 346.700 3.319 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631057254 461511796 /nfs/dbraw/zinc/51/17/96/461511796.db2.gz SQKDJUKNMYTFDK-NSHDSACASA-N 2 2 346.700 3.319 10 0 EGAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631144801 461587533 /nfs/dbraw/zinc/58/75/33/461587533.db2.gz RWHRPYDOPIMIRT-HUUCEWRRSA-N 2 2 326.444 3.069 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000647289305 461615214 /nfs/dbraw/zinc/61/52/14/461615214.db2.gz NHEVTUWISOUAQZ-LMMKCTJWSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000647289305 461615219 /nfs/dbraw/zinc/61/52/19/461615219.db2.gz NHEVTUWISOUAQZ-LMMKCTJWSA-N 2 2 348.535 3.007 10 0 EGAELP CC1=CC[C@](C)(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000669252732 461617184 /nfs/dbraw/zinc/61/71/84/461617184.db2.gz PHYGQFCRFDPOOG-FQEVSTJZSA-N 2 2 347.547 3.189 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@H]([NH2+]C(C)C)C3)c2cc1OC ZINC000663488811 461669930 /nfs/dbraw/zinc/66/99/30/461669930.db2.gz YRUBNMKUCFXURU-HNNXBMFYSA-N 2 2 329.444 3.219 10 0 EGAELP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2ccccc2)cc1OC ZINC000663497133 461673552 /nfs/dbraw/zinc/67/35/52/461673552.db2.gz CJDCOFVQUTZGSD-UHFFFAOYSA-N 2 2 338.451 3.212 10 0 EGAELP Fc1cccc(COc2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)c1 ZINC000663502861 461675132 /nfs/dbraw/zinc/67/51/32/461675132.db2.gz YISPKAFRQRXMMH-UHFFFAOYSA-N 2 2 326.415 3.246 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480478 461726935 /nfs/dbraw/zinc/72/69/35/461726935.db2.gz OWSNTNSFAIJLCM-GUYCJALGSA-N 2 2 346.425 3.319 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480478 461726943 /nfs/dbraw/zinc/72/69/43/461726943.db2.gz OWSNTNSFAIJLCM-GUYCJALGSA-N 2 2 346.425 3.319 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479852 461727895 /nfs/dbraw/zinc/72/78/95/461727895.db2.gz WOLFUODWHBCIJU-ZFWWWQNUSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479852 461727905 /nfs/dbraw/zinc/72/79/05/461727905.db2.gz WOLFUODWHBCIJU-ZFWWWQNUSA-N 2 2 332.879 3.191 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480989 461730640 /nfs/dbraw/zinc/73/06/40/461730640.db2.gz MWSCPXVFWAXGTE-HIFRSBDPSA-N 2 2 340.414 3.261 10 0 EGAELP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480989 461730645 /nfs/dbraw/zinc/73/06/45/461730645.db2.gz MWSCPXVFWAXGTE-HIFRSBDPSA-N 2 2 340.414 3.261 10 0 EGAELP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000639164380 461774568 /nfs/dbraw/zinc/77/45/68/461774568.db2.gz QRYRSDAVBWHCTN-XIBWBMNSSA-N 2 2 347.547 3.185 10 0 EGAELP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000639164380 461774574 /nfs/dbraw/zinc/77/45/74/461774574.db2.gz QRYRSDAVBWHCTN-XIBWBMNSSA-N 2 2 347.547 3.185 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000660534995 461837529 /nfs/dbraw/zinc/83/75/29/461837529.db2.gz ISKJMKBOTDXFGN-VQIMIIECSA-N 2 2 340.458 3.249 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000660534995 461837535 /nfs/dbraw/zinc/83/75/35/461837535.db2.gz ISKJMKBOTDXFGN-VQIMIIECSA-N 2 2 340.458 3.249 10 0 EGAELP Cc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000639329051 461864068 /nfs/dbraw/zinc/86/40/68/461864068.db2.gz KKUGRNHEOPPLBM-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000639329051 461864075 /nfs/dbraw/zinc/86/40/75/461864075.db2.gz KKUGRNHEOPPLBM-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647903267 461878640 /nfs/dbraw/zinc/87/86/40/461878640.db2.gz IFCLLQRXTUZPCH-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647903267 461878644 /nfs/dbraw/zinc/87/86/44/461878644.db2.gz IFCLLQRXTUZPCH-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903545 461878827 /nfs/dbraw/zinc/87/88/27/461878827.db2.gz LOENCLJLPULJCR-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903545 461878832 /nfs/dbraw/zinc/87/88/32/461878832.db2.gz LOENCLJLPULJCR-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP c1cn(Cc2ccccc2)c(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)[nH+]1 ZINC000656792729 461903740 /nfs/dbraw/zinc/90/37/40/461903740.db2.gz NFAJXXJMHRKIHN-FQEVSTJZSA-N 2 2 348.450 3.204 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957077 461908268 /nfs/dbraw/zinc/90/82/68/461908268.db2.gz LQOWFEMWECMWRJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957077 461908272 /nfs/dbraw/zinc/90/82/72/461908272.db2.gz LQOWFEMWECMWRJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP CC(C)Cn1nccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031558 461951315 /nfs/dbraw/zinc/95/13/15/461951315.db2.gz VXVXILLSPJXERP-KRWDZBQOSA-N 2 2 341.503 3.452 10 0 EGAELP CC(C)Cn1nccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031558 461951320 /nfs/dbraw/zinc/95/13/20/461951320.db2.gz VXVXILLSPJXERP-KRWDZBQOSA-N 2 2 341.503 3.452 10 0 EGAELP C[N@H+](CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657297788 462026406 /nfs/dbraw/zinc/02/64/06/462026406.db2.gz KZHSWWVVSFXMGF-UHFFFAOYSA-N 3 2 327.476 3.012 10 0 EGAELP C[N@@H+](CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657297788 462026407 /nfs/dbraw/zinc/02/64/07/462026407.db2.gz KZHSWWVVSFXMGF-UHFFFAOYSA-N 3 2 327.476 3.012 10 0 EGAELP C[C@@H](C[NH2+]Cc1c(F)cncc1Br)C[NH+]1CCCCC1 ZINC000657316382 462040997 /nfs/dbraw/zinc/04/09/97/462040997.db2.gz FAOUZAWTMBAKAZ-LBPRGKRZSA-N 2 2 344.272 3.195 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644736181 462055146 /nfs/dbraw/zinc/05/51/46/462055146.db2.gz HUXAGKJIJOJNPC-XLIONFOSSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644736181 462055150 /nfs/dbraw/zinc/05/51/50/462055150.db2.gz HUXAGKJIJOJNPC-XLIONFOSSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)n1C ZINC000657477440 462147812 /nfs/dbraw/zinc/14/78/12/462147812.db2.gz LNTZTFCTHLWLJW-UHFFFAOYSA-N 2 2 325.334 3.406 10 0 EGAELP COc1ccccc1CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667586278 462160024 /nfs/dbraw/zinc/16/00/24/462160024.db2.gz LNFQINXQBVWNNX-UHFFFAOYSA-N 2 2 325.456 3.293 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527368 462167032 /nfs/dbraw/zinc/16/70/32/462167032.db2.gz UHRNAYXCDPTHEN-IBGZPJMESA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527368 462167039 /nfs/dbraw/zinc/16/70/39/462167039.db2.gz UHRNAYXCDPTHEN-IBGZPJMESA-N 2 2 326.488 3.452 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc(F)cc2)n1 ZINC000657526902 462168499 /nfs/dbraw/zinc/16/84/99/462168499.db2.gz PFHNKPAGAGDBLH-QGZVFWFLSA-N 2 2 330.451 3.189 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2ccc(F)cc2)n1 ZINC000657526902 462168512 /nfs/dbraw/zinc/16/85/12/462168512.db2.gz PFHNKPAGAGDBLH-QGZVFWFLSA-N 2 2 330.451 3.189 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667618243 462176719 /nfs/dbraw/zinc/17/67/19/462176719.db2.gz QRYDAVWILPOVDE-YLJYHZDGSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667618243 462176721 /nfs/dbraw/zinc/17/67/21/462176721.db2.gz QRYDAVWILPOVDE-YLJYHZDGSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618243 462176726 /nfs/dbraw/zinc/17/67/26/462176726.db2.gz QRYDAVWILPOVDE-YLJYHZDGSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618243 462176730 /nfs/dbraw/zinc/17/67/30/462176730.db2.gz QRYDAVWILPOVDE-YLJYHZDGSA-N 2 2 338.499 3.314 10 0 EGAELP COCc1cnc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000657650171 462215918 /nfs/dbraw/zinc/21/59/18/462215918.db2.gz ZHXSTJXRYWZQRH-INIZCTEOSA-N 2 2 342.468 3.097 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@H](COC)CC2CCOCC2)[NH+](C)C)cc1 ZINC000657814553 462281142 /nfs/dbraw/zinc/28/11/42/462281142.db2.gz AWWPNYJIYJSIMO-LEWJYISDSA-N 2 2 348.531 3.273 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000657858581 462298720 /nfs/dbraw/zinc/29/87/20/462298720.db2.gz IVFVERBVBHVWOF-VQTJNVASSA-N 2 2 334.504 3.019 10 0 EGAELP C([NH2+][C@@H]1CCCSCC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000657902517 462312669 /nfs/dbraw/zinc/31/26/69/462312669.db2.gz MWVBAJMJYQGJFJ-QGZVFWFLSA-N 2 2 326.550 3.144 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C(F)F ZINC000657951841 462327368 /nfs/dbraw/zinc/32/73/68/462327368.db2.gz CPJCTZIWEZPVTI-OCCSQVGLSA-N 2 2 326.435 3.314 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621231 462332982 /nfs/dbraw/zinc/33/29/82/462332982.db2.gz MNJWMURQQBLDRO-IGOJGBNBSA-N 2 2 329.488 3.464 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621231 462332990 /nfs/dbraw/zinc/33/29/90/462332990.db2.gz MNJWMURQQBLDRO-IGOJGBNBSA-N 2 2 329.488 3.464 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000657984252 462337254 /nfs/dbraw/zinc/33/72/54/462337254.db2.gz DBCUAGIWELVNII-CUWPLCDZSA-N 2 2 348.531 3.408 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000658002033 462344225 /nfs/dbraw/zinc/34/42/25/462344225.db2.gz FYZNDZVNZGIYQG-UYAOXDASSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000658002033 462344228 /nfs/dbraw/zinc/34/42/28/462344228.db2.gz FYZNDZVNZGIYQG-UYAOXDASSA-N 2 2 338.536 3.205 10 0 EGAELP c1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984714 462360544 /nfs/dbraw/zinc/36/05/44/462360544.db2.gz AAFRKAMERMNFOP-LJQANCHMSA-N 2 2 326.444 3.048 10 0 EGAELP c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984714 462360548 /nfs/dbraw/zinc/36/05/48/462360548.db2.gz AAFRKAMERMNFOP-LJQANCHMSA-N 2 2 326.444 3.048 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057641 462362411 /nfs/dbraw/zinc/36/24/11/462362411.db2.gz PMPVEHHDXYWGGM-LPHOPBHVSA-N 2 2 326.488 3.455 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057641 462362417 /nfs/dbraw/zinc/36/24/17/462362417.db2.gz PMPVEHHDXYWGGM-LPHOPBHVSA-N 2 2 326.488 3.455 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000665252565 462370310 /nfs/dbraw/zinc/37/03/10/462370310.db2.gz SRSHLGISNAPJMY-PWIZWCRZSA-N 2 2 347.466 3.064 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000665254929 462370704 /nfs/dbraw/zinc/37/07/04/462370704.db2.gz CQPAQHWCGOLYAL-GKCIPKSASA-N 2 2 343.446 3.416 10 0 EGAELP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C12CCC2 ZINC000665256163 462371639 /nfs/dbraw/zinc/37/16/39/462371639.db2.gz QNQJXNUEFLLXNR-ZRNYENFQSA-N 2 2 344.499 3.078 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000665255698 462371774 /nfs/dbraw/zinc/37/17/74/462371774.db2.gz ZODDOXDEBQSZBT-FZDIXFNVSA-N 2 2 340.471 3.023 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661704049 462373345 /nfs/dbraw/zinc/37/33/45/462373345.db2.gz NIPOKUGWUCKQAD-YLJYHZDGSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661704049 462373349 /nfs/dbraw/zinc/37/33/49/462373349.db2.gz NIPOKUGWUCKQAD-YLJYHZDGSA-N 2 2 327.472 3.483 10 0 EGAELP Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668105371 462422945 /nfs/dbraw/zinc/42/29/45/462422945.db2.gz XHEMLHLNEFBGAG-MRXNPFEDSA-N 2 2 339.487 3.210 10 0 EGAELP Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668105371 462422951 /nfs/dbraw/zinc/42/29/51/462422951.db2.gz XHEMLHLNEFBGAG-MRXNPFEDSA-N 2 2 339.487 3.210 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203688 462470309 /nfs/dbraw/zinc/47/03/09/462470309.db2.gz UZABJTHNHVHFFQ-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203688 462470315 /nfs/dbraw/zinc/47/03/15/462470315.db2.gz UZABJTHNHVHFFQ-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000181283272 529090021 /nfs/dbraw/zinc/09/00/21/529090021.db2.gz XRNBPBNCEAYIOW-UWVAXJGDSA-N 3 2 333.520 3.006 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000181283272 529090022 /nfs/dbraw/zinc/09/00/22/529090022.db2.gz XRNBPBNCEAYIOW-UWVAXJGDSA-N 3 2 333.520 3.006 10 0 EGAELP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131094601 546802110 /nfs/dbraw/zinc/80/21/10/546802110.db2.gz SKELEBAHGPAXTF-LJQANCHMSA-N 2 2 330.520 3.236 10 0 EGAELP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131094601 546802114 /nfs/dbraw/zinc/80/21/14/546802114.db2.gz SKELEBAHGPAXTF-LJQANCHMSA-N 2 2 330.520 3.236 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206016 547804102 /nfs/dbraw/zinc/80/41/02/547804102.db2.gz BSASQPCQDJNLHF-AWEZNQCLSA-N 2 2 337.427 3.324 10 0 EGAELP COc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)[nH+]c1 ZINC000676201532 549053964 /nfs/dbraw/zinc/05/39/64/549053964.db2.gz XUVKBZRVVPFVFN-UHFFFAOYSA-N 2 2 340.471 3.233 10 0 EGAELP CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677306638 549245650 /nfs/dbraw/zinc/24/56/50/549245650.db2.gz ONBOYRHWRDTYKL-PKOBYXMFSA-N 2 2 349.563 3.220 10 0 EGAELP CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677306638 549245653 /nfs/dbraw/zinc/24/56/53/549245653.db2.gz ONBOYRHWRDTYKL-PKOBYXMFSA-N 2 2 349.563 3.220 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000678078042 549392163 /nfs/dbraw/zinc/39/21/63/549392163.db2.gz FWTUGVMLCWNLDV-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000678078042 549392166 /nfs/dbraw/zinc/39/21/66/549392166.db2.gz FWTUGVMLCWNLDV-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCCO1 ZINC000678597263 549528552 /nfs/dbraw/zinc/52/85/52/549528552.db2.gz DTENQHYPRULIHI-IBGZPJMESA-N 2 2 331.504 3.231 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000680346286 549853420 /nfs/dbraw/zinc/85/34/20/549853420.db2.gz IRRYEHFVHQUNEP-WBVHZDCISA-N 2 2 344.421 3.334 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000680346286 549853422 /nfs/dbraw/zinc/85/34/22/549853422.db2.gz IRRYEHFVHQUNEP-WBVHZDCISA-N 2 2 344.421 3.334 10 0 EGAELP FC(F)Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629787 550434777 /nfs/dbraw/zinc/43/47/77/550434777.db2.gz ZIFATZRJABDBKP-VIFPVBQESA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685629787 550434779 /nfs/dbraw/zinc/43/47/79/550434779.db2.gz ZIFATZRJABDBKP-VIFPVBQESA-N 2 2 327.762 3.312 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335482 576315105 /nfs/dbraw/zinc/31/51/05/576315105.db2.gz QOSZFDWGGTUZNO-RBUKOAKNSA-N 2 2 337.552 3.412 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335482 576315109 /nfs/dbraw/zinc/31/51/09/576315109.db2.gz QOSZFDWGGTUZNO-RBUKOAKNSA-N 2 2 337.552 3.412 10 0 EGAELP CC(C)OC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000872118064 1296743339 /nfs/dbraw/zinc/74/33/39/1296743339.db2.gz ZFKGIUHKJWCHNE-MJGOQNOKSA-N 2 2 331.504 3.229 10 0 EGAELP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000872118064 1296743352 /nfs/dbraw/zinc/74/33/52/1296743352.db2.gz ZFKGIUHKJWCHNE-MJGOQNOKSA-N 2 2 331.504 3.229 10 0 EGAELP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000872118062 1296743394 /nfs/dbraw/zinc/74/33/94/1296743394.db2.gz ZFKGIUHKJWCHNE-IEBWSBKVSA-N 2 2 331.504 3.229 10 0 EGAELP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000872118062 1296743405 /nfs/dbraw/zinc/74/34/05/1296743405.db2.gz ZFKGIUHKJWCHNE-IEBWSBKVSA-N 2 2 331.504 3.229 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000872147925 1296766673 /nfs/dbraw/zinc/76/66/73/1296766673.db2.gz LVIOZGNYZVULSV-HOCLYGCPSA-N 2 2 342.405 3.383 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000872147925 1296766680 /nfs/dbraw/zinc/76/66/80/1296766680.db2.gz LVIOZGNYZVULSV-HOCLYGCPSA-N 2 2 342.405 3.383 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883347633 1302406237 /nfs/dbraw/zinc/40/62/37/1302406237.db2.gz WFLKUURTGMYDAX-UYAOXDASSA-N 2 2 341.499 3.485 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883347633 1302406240 /nfs/dbraw/zinc/40/62/40/1302406240.db2.gz WFLKUURTGMYDAX-UYAOXDASSA-N 2 2 341.499 3.485 10 0 EGAELP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000893028251 1305667985 /nfs/dbraw/zinc/66/79/85/1305667985.db2.gz ZSUQHEGBCXJSBD-LPHOPBHVSA-N 2 2 340.471 3.207 10 0 EGAELP Cc1cc[nH+]c(N)c1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000894116991 1306228390 /nfs/dbraw/zinc/22/83/90/1306228390.db2.gz IQALSJUNLCFLJC-HZPDHXFCSA-N 2 2 340.471 3.194 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2C(F)(F)F)CC1 ZINC000894150991 1306247555 /nfs/dbraw/zinc/24/75/55/1306247555.db2.gz VKYPTLHKMNWYOM-UHFFFAOYSA-N 2 2 344.377 3.066 10 0 EGAELP CCOC(=O)CC(C)(C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112200 1309196122 /nfs/dbraw/zinc/19/61/22/1309196122.db2.gz OAXUUYKUGZFHRM-WKILWMFISA-N 2 2 333.476 3.137 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2ccc3oc(=O)oc3c2)c2cccc[nH+]2)CC1 ZINC000895117810 1309198222 /nfs/dbraw/zinc/19/82/22/1309198222.db2.gz XHSOTPUFSOEJSI-SHTZXODSSA-N 2 2 339.395 3.058 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccsc1 ZINC000895714483 1309484801 /nfs/dbraw/zinc/48/48/01/1309484801.db2.gz DMQGCZNTIUBULM-MRXNPFEDSA-N 2 2 348.516 3.187 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3cnn(CC4CCC4)c3)c2)c[nH+]1 ZINC000897431594 1310336045 /nfs/dbraw/zinc/33/60/45/1310336045.db2.gz HAVQJYNCNRYXJC-UHFFFAOYSA-N 2 2 327.457 3.220 10 0 EGAELP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719016 1328677295 /nfs/dbraw/zinc/67/72/95/1328677295.db2.gz LNZQOZSPNOOXIR-IRXDYDNUSA-N 2 2 330.472 3.019 10 0 EGAELP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719016 1328677297 /nfs/dbraw/zinc/67/72/97/1328677297.db2.gz LNZQOZSPNOOXIR-IRXDYDNUSA-N 2 2 330.472 3.019 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnc(F)c3)CC2)cc1 ZINC000858146441 1328695374 /nfs/dbraw/zinc/69/53/74/1328695374.db2.gz DBBJFHJXQHYCAM-UHFFFAOYSA-N 2 2 328.435 3.045 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000929990955 1328758081 /nfs/dbraw/zinc/75/80/81/1328758081.db2.gz DCLMGGBCFOUWJJ-OAHLLOKOSA-N 2 2 348.491 3.379 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000929990955 1328758083 /nfs/dbraw/zinc/75/80/83/1328758083.db2.gz DCLMGGBCFOUWJJ-OAHLLOKOSA-N 2 2 348.491 3.379 10 0 EGAELP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061161 1328775054 /nfs/dbraw/zinc/77/50/54/1328775054.db2.gz ONSHHHZXYQYJMB-SYNHAJSKSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061161 1328775058 /nfs/dbraw/zinc/77/50/58/1328775058.db2.gz ONSHHHZXYQYJMB-SYNHAJSKSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061161 1328775062 /nfs/dbraw/zinc/77/50/62/1328775062.db2.gz ONSHHHZXYQYJMB-SYNHAJSKSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061161 1328775068 /nfs/dbraw/zinc/77/50/68/1328775068.db2.gz ONSHHHZXYQYJMB-SYNHAJSKSA-N 2 2 342.483 3.160 10 0 EGAELP CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000858504396 1328782311 /nfs/dbraw/zinc/78/23/11/1328782311.db2.gz QORHCMIBLSDTKR-RHSMWYFYSA-N 2 2 325.412 3.175 10 0 EGAELP Cc1cc(N2CCC([NH2+]Cc3nc(C(C)(C)C)co3)CC2)nc(C)[nH+]1 ZINC000921817222 1322403931 /nfs/dbraw/zinc/40/39/31/1322403931.db2.gz JWDZMNCEOZRJTP-UHFFFAOYSA-N 2 2 343.475 3.138 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924666334 1323102412 /nfs/dbraw/zinc/10/24/12/1323102412.db2.gz AHNKLSLWXLJRAL-CAIZAGQASA-N 2 2 332.536 3.150 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924666334 1323102416 /nfs/dbraw/zinc/10/24/16/1323102416.db2.gz AHNKLSLWXLJRAL-CAIZAGQASA-N 2 2 332.536 3.150 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925089123 1323276670 /nfs/dbraw/zinc/27/66/70/1323276670.db2.gz NKCPKBKIOKHUDS-SLFFLAALSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925089123 1323276680 /nfs/dbraw/zinc/27/66/80/1323276680.db2.gz NKCPKBKIOKHUDS-SLFFLAALSA-N 2 2 332.488 3.114 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319742 1329092706 /nfs/dbraw/zinc/09/27/06/1329092706.db2.gz YTUUBRKPNOSWSH-PMACEKPBSA-N 2 2 325.456 3.424 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533431 1325195102 /nfs/dbraw/zinc/19/51/02/1325195102.db2.gz BBAPWELBWVRDSI-MDNKFWRPSA-N 3 2 329.532 3.393 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533431 1325195108 /nfs/dbraw/zinc/19/51/08/1325195108.db2.gz BBAPWELBWVRDSI-MDNKFWRPSA-N 3 2 329.532 3.393 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774945 1325295801 /nfs/dbraw/zinc/29/58/01/1325295801.db2.gz APADKILXBXMRIZ-CZUORRHYSA-N 3 2 334.414 3.076 10 0 EGAELP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774945 1325295810 /nfs/dbraw/zinc/29/58/10/1325295810.db2.gz APADKILXBXMRIZ-CZUORRHYSA-N 2 2 334.414 3.076 10 0 EGAELP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccns1 ZINC000925907240 1325353356 /nfs/dbraw/zinc/35/33/56/1325353356.db2.gz ZJXLBGZPCGRCSZ-ZDUSSCGKSA-N 2 2 331.489 3.242 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)cc(F)c1 ZINC000925937271 1325363797 /nfs/dbraw/zinc/36/37/97/1325363797.db2.gz RTDACVIHEPVSFI-DYVFJYSZSA-N 2 2 344.434 3.240 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926484655 1325571951 /nfs/dbraw/zinc/57/19/51/1325571951.db2.gz DBKCSAIIZFVKRJ-JKSUJKDBSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926484655 1325571959 /nfs/dbraw/zinc/57/19/59/1325571959.db2.gz DBKCSAIIZFVKRJ-JKSUJKDBSA-N 2 2 327.394 3.249 10 0 EGAELP c1cn(C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c2ccccc2)c[nH+]1 ZINC000926866434 1327747211 /nfs/dbraw/zinc/74/72/11/1327747211.db2.gz WLYCSYDZQAPZBN-NMLBUPMWSA-N 2 2 325.456 3.419 10 0 EGAELP COC1([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCC1 ZINC000926961137 1327798853 /nfs/dbraw/zinc/79/88/53/1327798853.db2.gz WLELYHAJUFLNFD-GOSISDBHSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCC1 ZINC000926961137 1327798859 /nfs/dbraw/zinc/79/88/59/1327798859.db2.gz WLELYHAJUFLNFD-GOSISDBHSA-N 2 2 346.515 3.215 10 0 EGAELP Cc1c(F)nccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000862354416 1329477379 /nfs/dbraw/zinc/47/73/79/1329477379.db2.gz VRFPTTQNYGECQY-INIZCTEOSA-N 2 2 328.435 3.442 10 0 EGAELP Cc1c(F)nccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000862354416 1329477381 /nfs/dbraw/zinc/47/73/81/1329477381.db2.gz VRFPTTQNYGECQY-INIZCTEOSA-N 2 2 328.435 3.442 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866255688 1330085889 /nfs/dbraw/zinc/08/58/89/1330085889.db2.gz BZUQGQUWGKJSDV-XLIONFOSSA-N 2 2 341.499 3.256 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866255688 1330085891 /nfs/dbraw/zinc/08/58/91/1330085891.db2.gz BZUQGQUWGKJSDV-XLIONFOSSA-N 2 2 341.499 3.256 10 0 EGAELP C[C@H](CCc1cccnc1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000866323209 1330096176 /nfs/dbraw/zinc/09/61/76/1330096176.db2.gz FNSZOQXYGDJAEV-APWZRJJASA-N 2 2 339.487 3.050 10 0 EGAELP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)nc1 ZINC000866560410 1330126631 /nfs/dbraw/zinc/12/66/31/1330126631.db2.gz ODLFRFHLVPTWNT-FQEVSTJZSA-N 2 2 342.531 3.437 10 0 EGAELP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)nc1 ZINC000866560410 1330126632 /nfs/dbraw/zinc/12/66/32/1330126632.db2.gz ODLFRFHLVPTWNT-FQEVSTJZSA-N 2 2 342.531 3.437 10 0 EGAELP CC(C)=CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323708601 1387426164 /nfs/dbraw/zinc/42/61/64/1387426164.db2.gz JLHGZQIXAVCTEN-UHFFFAOYSA-N 2 2 346.519 3.450 10 0 EGAELP CC(C)=CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323708601 1387426167 /nfs/dbraw/zinc/42/61/67/1387426167.db2.gz JLHGZQIXAVCTEN-UHFFFAOYSA-N 2 2 346.519 3.450 10 0 EGAELP CC(C)=CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323708601 1387426171 /nfs/dbraw/zinc/42/61/71/1387426171.db2.gz JLHGZQIXAVCTEN-UHFFFAOYSA-N 2 2 346.519 3.450 10 0 EGAELP CC(C)=CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323708601 1387426172 /nfs/dbraw/zinc/42/61/72/1387426172.db2.gz JLHGZQIXAVCTEN-UHFFFAOYSA-N 2 2 346.519 3.450 10 0 EGAELP c1cn(C[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)c2ccccc2)c[nH+]1 ZINC001197274785 1368777202 /nfs/dbraw/zinc/77/72/02/1368777202.db2.gz PEKAUAYGLYJRLM-RBUKOAKNSA-N 2 2 341.455 3.290 10 0 EGAELP CC1([NH+]2CCCCC2)CC[NH+](CCOCCOc2ccccc2)CC1 ZINC001197582591 1368844702 /nfs/dbraw/zinc/84/47/02/1368844702.db2.gz URZXNHAISMZELJ-UHFFFAOYSA-N 2 2 346.515 3.422 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001325544793 1387999813 /nfs/dbraw/zinc/99/98/13/1387999813.db2.gz VDOPTTYWOVLWIQ-SJORKVTESA-N 2 2 342.487 3.212 10 0 EGAELP Cc1nc2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2o1 ZINC001116870179 1370991447 /nfs/dbraw/zinc/99/14/47/1370991447.db2.gz OCJNZAZWZKAGSD-UHFFFAOYSA-N 2 2 333.351 3.278 10 0 EGAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001129231640 1373363111 /nfs/dbraw/zinc/36/31/11/1373363111.db2.gz ZKIDNGQXHCINQQ-QGZVFWFLSA-N 2 2 326.444 3.112 10 0 EGAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001129231640 1373363116 /nfs/dbraw/zinc/36/31/16/1373363116.db2.gz ZKIDNGQXHCINQQ-QGZVFWFLSA-N 2 2 326.444 3.112 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)n1cc[nH+]c1 ZINC001326712871 1388287234 /nfs/dbraw/zinc/28/72/34/1388287234.db2.gz FKPXJEMJWNQNBF-RTBURBONSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265708061 1377162912 /nfs/dbraw/zinc/16/29/12/1377162912.db2.gz JGCZHLMEMKTCLC-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001265708061 1377162915 /nfs/dbraw/zinc/16/29/15/1377162915.db2.gz JGCZHLMEMKTCLC-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001272049513 1377655712 /nfs/dbraw/zinc/65/57/12/1377655712.db2.gz RASGAYGBUSMNDJ-UHFFFAOYSA-N 2 2 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ZINC001692332844 1405952017 /nfs/dbraw/zinc/95/20/17/1405952017.db2.gz GSBPRSWRIZFYRA-SFHVURJKSA-N 2 2 346.519 3.283 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001692334378 1405954558 /nfs/dbraw/zinc/95/45/58/1405954558.db2.gz UGWKPILOYUTLHQ-PYTPGESOSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@H]2CC[N@@H+](CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001732054898 1428298014 /nfs/dbraw/zinc/29/80/14/1428298014.db2.gz KTPYWBMTMDIORC-PBHICJAKSA-N 2 2 335.467 3.197 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@H]2CC[N@H+](CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001732054898 1428298017 /nfs/dbraw/zinc/29/80/17/1428298017.db2.gz KTPYWBMTMDIORC-PBHICJAKSA-N 2 2 335.467 3.197 10 0 EGAELP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001732144592 1428389106 /nfs/dbraw/zinc/38/91/06/1428389106.db2.gz JFBJYDXONBBGPC-FHWLQOOXSA-N 2 2 346.519 3.336 10 0 EGAELP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001732144592 1428389110 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GQKSLEYBNDQSSB-HKUYNNGSSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732510968 1428630531 /nfs/dbraw/zinc/63/05/31/1428630531.db2.gz NBMQZHCENKSGMX-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001699262811 1412602931 /nfs/dbraw/zinc/60/29/31/1412602931.db2.gz VJIPWZGDQLBECT-OGZRUICASA-N 2 2 342.487 3.201 10 0 EGAELP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699464045 1412825281 /nfs/dbraw/zinc/82/52/81/1412825281.db2.gz MMTPRQFXKUCESA-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699464045 1412825284 /nfs/dbraw/zinc/82/52/84/1412825284.db2.gz MMTPRQFXKUCESA-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001699537442 1412912040 /nfs/dbraw/zinc/91/20/40/1412912040.db2.gz IGHBDELXXSDJJV-HOTGVXAUSA-N 2 2 346.450 3.173 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001699941430 1413385123 /nfs/dbraw/zinc/38/51/23/1413385123.db2.gz NMNFAOPHXBVOIV-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010716 1413452117 /nfs/dbraw/zinc/45/21/17/1413452117.db2.gz JPBXVYZFOHUATH-PSBWJHGTSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010716 1413452121 /nfs/dbraw/zinc/45/21/21/1413452121.db2.gz JPBXVYZFOHUATH-PSBWJHGTSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010716 1413452124 /nfs/dbraw/zinc/45/21/24/1413452124.db2.gz JPBXVYZFOHUATH-PSBWJHGTSA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010716 1413452126 /nfs/dbraw/zinc/45/21/26/1413452126.db2.gz JPBXVYZFOHUATH-PSBWJHGTSA-N 2 2 344.503 3.159 10 0 EGAELP CC(C)CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732550132 1428730739 /nfs/dbraw/zinc/73/07/39/1428730739.db2.gz GRUCCZVRJRBVQN-GOSISDBHSA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732550132 1428730747 /nfs/dbraw/zinc/73/07/47/1428730747.db2.gz GRUCCZVRJRBVQN-GOSISDBHSA-N 2 2 348.535 3.441 10 0 EGAELP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001700476970 1414106070 /nfs/dbraw/zinc/10/60/70/1414106070.db2.gz NZLCJKNCSWRLQT-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001700476970 1414106073 /nfs/dbraw/zinc/10/60/73/1414106073.db2.gz NZLCJKNCSWRLQT-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001700478149 1414109443 /nfs/dbraw/zinc/10/94/43/1414109443.db2.gz UWUCAHDWNKTRKZ-SJORKVTESA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001700478149 1414109448 /nfs/dbraw/zinc/10/94/48/1414109448.db2.gz UWUCAHDWNKTRKZ-SJORKVTESA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001700730082 1414392863 /nfs/dbraw/zinc/39/28/63/1414392863.db2.gz IUBBPPSXLCRANT-APWZRJJASA-N 2 2 346.519 3.241 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866930 1414518943 /nfs/dbraw/zinc/51/89/43/1414518943.db2.gz OWNJSYCORAKRTA-AZUAARDMSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866930 1414518945 /nfs/dbraw/zinc/51/89/45/1414518945.db2.gz OWNJSYCORAKRTA-AZUAARDMSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866930 1414518946 /nfs/dbraw/zinc/51/89/46/1414518946.db2.gz OWNJSYCORAKRTA-AZUAARDMSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866930 1414518948 /nfs/dbraw/zinc/51/89/48/1414518948.db2.gz OWNJSYCORAKRTA-AZUAARDMSA-N 2 2 344.503 3.036 10 0 EGAELP CC(C)(C)CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001700920232 1414572604 /nfs/dbraw/zinc/57/26/04/1414572604.db2.gz VOWPLYRWVUCUSY-INIZCTEOSA-N 2 2 342.487 3.211 10 0 EGAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001701006312 1414662269 /nfs/dbraw/zinc/66/22/69/1414662269.db2.gz DECXIODYVFAFOD-QGZVFWFLSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001701013224 1414674603 /nfs/dbraw/zinc/67/46/03/1414674603.db2.gz GYORUDYHYCFKQG-ROUUACIJSA-N 2 2 348.535 3.172 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001732699286 1428915892 /nfs/dbraw/zinc/91/58/92/1428915892.db2.gz QTWSQLCULVLHCG-SJORKVTESA-N 2 2 342.487 3.205 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001732699286 1428915896 /nfs/dbraw/zinc/91/58/96/1428915896.db2.gz QTWSQLCULVLHCG-SJORKVTESA-N 2 2 342.487 3.205 10 0 EGAELP CCN(CC[NH2+]CCCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732782955 1428967673 /nfs/dbraw/zinc/96/76/73/1428967673.db2.gz SOFINOYOWWHFSM-UHFFFAOYSA-N 2 2 328.460 3.195 10 0 EGAELP CCN(CC[NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001732798976 1428979483 /nfs/dbraw/zinc/97/94/83/1428979483.db2.gz WETIWGPQZBEMRA-UHFFFAOYSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001707242474 1417262023 /nfs/dbraw/zinc/26/20/23/1417262023.db2.gz DJMGVLVBQAMZTN-QZTJIDSGSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001712974812 1417527743 /nfs/dbraw/zinc/52/77/43/1417527743.db2.gz HZWPNGGTIUEOFK-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001712974812 1417527747 /nfs/dbraw/zinc/52/77/47/1417527747.db2.gz HZWPNGGTIUEOFK-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001712975241 1417528520 /nfs/dbraw/zinc/52/85/20/1417528520.db2.gz VBYXXHVDXCJURL-HZPDHXFCSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001712975241 1417528523 /nfs/dbraw/zinc/52/85/23/1417528523.db2.gz VBYXXHVDXCJURL-HZPDHXFCSA-N 2 2 346.450 3.173 10 0 EGAELP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712999490 1417552301 /nfs/dbraw/zinc/55/23/01/1417552301.db2.gz MSOATZXAPXKQDE-HOTGVXAUSA-N 2 2 328.460 3.107 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084726 1417630650 /nfs/dbraw/zinc/63/06/50/1417630650.db2.gz WSBPUYZGXQFOIM-AWFCHZOYSA-N 2 2 326.444 3.113 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084726 1417630652 /nfs/dbraw/zinc/63/06/52/1417630652.db2.gz WSBPUYZGXQFOIM-AWFCHZOYSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713097634 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342.487 3.033 10 0 EGAELP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001715418182 1420111957 /nfs/dbraw/zinc/11/19/57/1420111957.db2.gz SCUCNQKFQOMDLF-QFBILLFUSA-N 2 2 340.471 3.113 10 0 EGAELP C[C@H](CC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001715877120 1420379675 /nfs/dbraw/zinc/37/96/75/1420379675.db2.gz MGKYHWBBHANFBJ-VGOKWCNXSA-N 2 2 346.519 3.313 10 0 EGAELP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001716874400 1421000961 /nfs/dbraw/zinc/00/09/61/1421000961.db2.gz CKRUQINMDPEMAD-YLJYHZDGSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001716876647 1421002262 /nfs/dbraw/zinc/00/22/62/1421002262.db2.gz SUHKXBNTMVRXOP-XLIONFOSSA-N 2 2 348.535 3.489 10 0 EGAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001717010742 1421076548 /nfs/dbraw/zinc/07/65/48/1421076548.db2.gz OFPMYINKZJPEGG-OTWHNJEPSA-N 2 2 346.519 3.051 10 0 EGAELP 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CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001725595370 1426251208 /nfs/dbraw/zinc/25/12/08/1426251208.db2.gz SMVSKIAVDCBTQS-CVEARBPZSA-N 2 2 328.460 3.107 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)[C@H]2C)c[nH+]1 ZINC001725640033 1426316686 /nfs/dbraw/zinc/31/66/86/1426316686.db2.gz WQJKQVVCRFELOZ-ZWKOTPCHSA-N 2 2 348.535 3.332 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCCC(C)C)[C@H]2C)c[nH+]1 ZINC001725640033 1426316688 /nfs/dbraw/zinc/31/66/88/1426316688.db2.gz WQJKQVVCRFELOZ-ZWKOTPCHSA-N 2 2 348.535 3.332 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@H](C)c1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733641 1426406991 /nfs/dbraw/zinc/40/69/91/1426406991.db2.gz RCYOZEQXFHXVRU-OAHLLOKOSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@H](C)c1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733641 1426406995 /nfs/dbraw/zinc/40/69/95/1426406995.db2.gz RCYOZEQXFHXVRU-OAHLLOKOSA-N 2 2 346.450 3.021 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001731267490 1427214767 /nfs/dbraw/zinc/21/47/67/1427214767.db2.gz JRBIFTDCBDSXCO-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001731267490 1427214768 /nfs/dbraw/zinc/21/47/68/1427214768.db2.gz JRBIFTDCBDSXCO-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731543404 1427557337 /nfs/dbraw/zinc/55/73/37/1427557337.db2.gz LHIFQUHLXSINFZ-WYIDIVSCSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731543404 1427557349 /nfs/dbraw/zinc/55/73/49/1427557349.db2.gz LHIFQUHLXSINFZ-WYIDIVSCSA-N 2 2 332.492 3.161 10 0 EGAELP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC2(CC2)CC1 ZINC001731873715 1428134509 /nfs/dbraw/zinc/13/45/09/1428134509.db2.gz OAQVKIGTLCFMTH-UHFFFAOYSA-N 2 2 346.519 3.059 10 0 EGAELP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC2(CC2)CC1 ZINC001731873715 1428134511 /nfs/dbraw/zinc/13/45/11/1428134511.db2.gz OAQVKIGTLCFMTH-UHFFFAOYSA-N 2 2 346.519 3.059 10 0 EGAELP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731923976 1428172067 /nfs/dbraw/zinc/17/20/67/1428172067.db2.gz RURJVCNSCFUSBR-UHFFFAOYSA-N 2 2 336.439 3.042 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](C)CC(C)C ZINC001733598299 1429798040 /nfs/dbraw/zinc/79/80/40/1429798040.db2.gz GLQHATOQWJGLGG-LZQZEXGQSA-N 2 2 346.519 3.008 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](C)CC(C)C ZINC001733598299 1429798043 /nfs/dbraw/zinc/79/80/43/1429798043.db2.gz GLQHATOQWJGLGG-LZQZEXGQSA-N 2 2 346.519 3.008 10 0 EGAELP CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733687864 1429903506 /nfs/dbraw/zinc/90/35/06/1429903506.db2.gz VVNNHJKYMOZGEI-FVQBIDKESA-N 2 2 346.450 3.189 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001733760310 1429974584 /nfs/dbraw/zinc/97/45/84/1429974584.db2.gz JWERRSZPFBBWHD-GOSISDBHSA-N 2 2 347.503 3.184 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001733760310 1429974586 /nfs/dbraw/zinc/97/45/86/1429974586.db2.gz JWERRSZPFBBWHD-GOSISDBHSA-N 2 2 347.503 3.184 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733764571 1429985147 /nfs/dbraw/zinc/98/51/47/1429985147.db2.gz JKNMOIWRQNBHFG-INIZCTEOSA-N 2 2 328.460 3.109 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733764571 1429985149 /nfs/dbraw/zinc/98/51/49/1429985149.db2.gz JKNMOIWRQNBHFG-INIZCTEOSA-N 2 2 328.460 3.109 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCC1)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001733980187 1437777591 /nfs/dbraw/zinc/77/75/91/1437777591.db2.gz CBCIACQMCHOIMZ-CABCVRRESA-N 2 2 328.460 3.011 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001734477626 1438126015 /nfs/dbraw/zinc/12/60/15/1438126015.db2.gz QSULVUOCZXBLDR-ATEGUMQPSA-N 2 2 335.879 3.247 10 0 EGAELP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001734498354 1438133460 /nfs/dbraw/zinc/13/34/60/1438133460.db2.gz YLUAIBWOHPMQOS-WMLDXEAASA-N 2 2 342.487 3.129 10 0 EGAELP CCC[NH+]1CCC(C2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001734607641 1438186602 /nfs/dbraw/zinc/18/66/02/1438186602.db2.gz ZIFUFKHUQPXFHV-SFHVURJKSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001750927195 1440111260 /nfs/dbraw/zinc/11/12/60/1440111260.db2.gz KWFQTWVQFNTVIB-SFHVURJKSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001750927195 1440111261 /nfs/dbraw/zinc/11/12/61/1440111261.db2.gz KWFQTWVQFNTVIB-SFHVURJKSA-N 2 2 348.535 3.102 10 0 EGAELP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1OCc1ccccc1 ZINC000368101910 168311423 /nfs/dbraw/zinc/31/14/23/168311423.db2.gz WFUUMQQGCJOSNR-IPELMVKDSA-N 2 2 325.456 3.241 10 0 EGAELP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1OCc1ccccc1 ZINC000368101910 168311424 /nfs/dbraw/zinc/31/14/24/168311424.db2.gz WFUUMQQGCJOSNR-IPELMVKDSA-N 2 2 325.456 3.241 10 0 EGAELP c1[nH]c2c([nH+]1)CC[N@@H+](Cc1cnc(SCc3ccccc3)nc1)C2 ZINC000097604207 219041070 /nfs/dbraw/zinc/04/10/70/219041070.db2.gz YPSAZPKYPYNSRL-UHFFFAOYSA-N 2 2 337.452 3.050 10 0 EGAELP c1[nH]c2c([nH+]1)CC[N@H+](Cc1cnc(SCc3ccccc3)nc1)C2 ZINC000097604207 219041073 /nfs/dbraw/zinc/04/10/73/219041073.db2.gz YPSAZPKYPYNSRL-UHFFFAOYSA-N 2 2 337.452 3.050 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000368232077 168328658 /nfs/dbraw/zinc/32/86/58/168328658.db2.gz ZKOZADHSZONPMT-CYBMUJFWSA-N 2 2 341.846 3.111 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1Cl ZINC000368232077 168328659 /nfs/dbraw/zinc/32/86/59/168328659.db2.gz ZKOZADHSZONPMT-CYBMUJFWSA-N 2 2 341.846 3.111 10 0 EGAELP Cn1c2ccccc2nc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000066971172 215099715 /nfs/dbraw/zinc/09/97/15/215099715.db2.gz KCHITULPVRNFNS-UHFFFAOYSA-N 2 2 334.467 3.111 10 0 EGAELP Cn1c2ccccc2nc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000066971172 215099717 /nfs/dbraw/zinc/09/97/17/215099717.db2.gz KCHITULPVRNFNS-UHFFFAOYSA-N 2 2 334.467 3.111 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181070748 234078346 /nfs/dbraw/zinc/07/83/46/234078346.db2.gz DOIATUDGXOEXIN-UHFFFAOYSA-N 2 2 332.473 3.179 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181070748 234078349 /nfs/dbraw/zinc/07/83/49/234078349.db2.gz DOIATUDGXOEXIN-UHFFFAOYSA-N 2 2 332.473 3.179 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377789700 169071894 /nfs/dbraw/zinc/07/18/94/169071894.db2.gz YSVLLHGNDMKJAJ-SNVBAGLBSA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377789700 169071895 /nfs/dbraw/zinc/07/18/95/169071895.db2.gz YSVLLHGNDMKJAJ-SNVBAGLBSA-N 2 2 327.762 3.312 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000091960466 218094949 /nfs/dbraw/zinc/09/49/49/218094949.db2.gz CMXBDOBLJSVYNC-OXQOHEQNSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000091960466 218094951 /nfs/dbraw/zinc/09/49/51/218094951.db2.gz CMXBDOBLJSVYNC-OXQOHEQNSA-N 2 2 335.455 3.460 10 0 EGAELP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000092062326 218111220 /nfs/dbraw/zinc/11/12/20/218111220.db2.gz YFWYDXFNAOKYRA-OAHLLOKOSA-N 2 2 343.475 3.190 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236195 /nfs/dbraw/zinc/23/61/95/218236195.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236196 /nfs/dbraw/zinc/23/61/96/218236196.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236197 /nfs/dbraw/zinc/23/61/97/218236197.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236198 /nfs/dbraw/zinc/23/61/98/218236198.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236201 /nfs/dbraw/zinc/23/62/01/218236201.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639147 218236202 /nfs/dbraw/zinc/23/62/02/218236202.db2.gz HQFRSXMORBTZLG-UZLBHIALSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236916 /nfs/dbraw/zinc/23/69/16/218236916.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236919 /nfs/dbraw/zinc/23/69/19/218236919.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236921 /nfs/dbraw/zinc/23/69/21/218236921.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236924 /nfs/dbraw/zinc/23/69/24/218236924.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236926 /nfs/dbraw/zinc/23/69/26/218236926.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000093639150 218236928 /nfs/dbraw/zinc/23/69/28/218236928.db2.gz HQFRSXMORBTZLG-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1c(C)nn(C)c1C ZINC000095420484 218360810 /nfs/dbraw/zinc/36/08/10/218360810.db2.gz NWDASMPYPVIIDC-LJQANCHMSA-N 2 2 341.503 3.137 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000112632152 220361638 /nfs/dbraw/zinc/36/16/38/220361638.db2.gz BVURXOHHJRKGNG-KRWDZBQOSA-N 2 2 337.423 3.184 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000112632152 220361644 /nfs/dbraw/zinc/36/16/44/220361644.db2.gz BVURXOHHJRKGNG-KRWDZBQOSA-N 2 2 337.423 3.184 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000119016713 221224014 /nfs/dbraw/zinc/22/40/14/221224014.db2.gz DYLULTZTMRZNCT-CYBMUJFWSA-N 2 2 333.457 3.131 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000119016713 221224016 /nfs/dbraw/zinc/22/40/16/221224016.db2.gz DYLULTZTMRZNCT-CYBMUJFWSA-N 2 2 333.457 3.131 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622031 258035201 /nfs/dbraw/zinc/03/52/01/258035201.db2.gz AWZJZJKLRFYXFH-YLJYHZDGSA-N 3 2 346.519 3.027 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccccc3)[C@@H](C)C2)s1 ZINC000328587897 258045199 /nfs/dbraw/zinc/04/51/99/258045199.db2.gz IKCHMIHMERJZCH-HNAYVOBHSA-N 2 2 329.513 3.494 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccccc3)[C@@H](C)C2)s1 ZINC000328587897 258045201 /nfs/dbraw/zinc/04/52/01/258045201.db2.gz IKCHMIHMERJZCH-HNAYVOBHSA-N 2 2 329.513 3.494 10 0 EGAELP C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910439 533347041 /nfs/dbraw/zinc/34/70/41/533347041.db2.gz CIUDVRZSEVWVFA-OAHLLOKOSA-N 2 2 328.460 3.075 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246914896 141043370 /nfs/dbraw/zinc/04/33/70/141043370.db2.gz FUSDIRXXBPTWFB-XFQAVAEZSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246914896 141043372 /nfs/dbraw/zinc/04/33/72/141043372.db2.gz FUSDIRXXBPTWFB-XFQAVAEZSA-N 2 2 340.515 3.078 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000356255711 141329785 /nfs/dbraw/zinc/32/97/85/141329785.db2.gz ALHYIWWVPKCLJL-HOTGVXAUSA-N 2 2 349.494 3.198 10 0 EGAELP CC[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000172754613 144027469 /nfs/dbraw/zinc/02/74/69/144027469.db2.gz QWCLOTDBKGJQEE-SFHVURJKSA-N 2 2 337.552 3.125 10 0 EGAELP CO[C@@H](C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000175198423 144059441 /nfs/dbraw/zinc/05/94/41/144059441.db2.gz GHCQJNKYSHDZJV-ZDUSSCGKSA-N 2 2 334.489 3.039 10 0 EGAELP Cc1nc(N2CC[NH+](CCCSCc3ccccc3)CC2)cc[nH+]1 ZINC000183770093 144079521 /nfs/dbraw/zinc/07/95/21/144079521.db2.gz HEEFPIOWXYXAFQ-UHFFFAOYSA-N 2 2 342.512 3.231 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)cc[nH+]1 ZINC000184768526 144098676 /nfs/dbraw/zinc/09/86/76/144098676.db2.gz MLXAGGUKFUYIJZ-UHFFFAOYSA-N 2 2 334.423 3.367 10 0 EGAELP C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000187298831 144156846 /nfs/dbraw/zinc/15/68/46/144156846.db2.gz OGGUPHAYAGJDGV-GUYCJALGSA-N 2 2 333.382 3.317 10 0 EGAELP C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000187298831 144156847 /nfs/dbraw/zinc/15/68/47/144156847.db2.gz OGGUPHAYAGJDGV-GUYCJALGSA-N 2 2 333.382 3.317 10 0 EGAELP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](CC)C(=O)OCC ZINC000361656030 144344574 /nfs/dbraw/zinc/34/45/74/144344574.db2.gz RNKVSFANWMKIRZ-GOSISDBHSA-N 2 2 344.459 3.129 10 0 EGAELP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](CC)C(=O)OCC ZINC000361656030 144344575 /nfs/dbraw/zinc/34/45/75/144344575.db2.gz RNKVSFANWMKIRZ-GOSISDBHSA-N 2 2 344.459 3.129 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000118842206 152155836 /nfs/dbraw/zinc/15/58/36/152155836.db2.gz VIXXMPSZGXPGLQ-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000118842206 152155841 /nfs/dbraw/zinc/15/58/41/152155841.db2.gz VIXXMPSZGXPGLQ-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000118842206 152155847 /nfs/dbraw/zinc/15/58/47/152155847.db2.gz VIXXMPSZGXPGLQ-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000118842206 152155856 /nfs/dbraw/zinc/15/58/56/152155856.db2.gz VIXXMPSZGXPGLQ-HNNXBMFYSA-N 2 2 329.444 3.124 10 0 EGAELP CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000122954167 152431805 /nfs/dbraw/zinc/43/18/05/152431805.db2.gz YYPAUEDQZIVDIW-SFHVURJKSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071711 154139150 /nfs/dbraw/zinc/13/91/50/154139150.db2.gz ACKOZLLJAXITGS-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310071711 154139155 /nfs/dbraw/zinc/13/91/55/154139155.db2.gz ACKOZLLJAXITGS-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310071711 154139158 /nfs/dbraw/zinc/13/91/58/154139158.db2.gz ACKOZLLJAXITGS-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500211 154385818 /nfs/dbraw/zinc/38/58/18/154385818.db2.gz VFHIHDZFOIJMKV-BBWFWOEESA-N 2 2 346.519 3.092 10 0 EGAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500211 154385822 /nfs/dbraw/zinc/38/58/22/154385822.db2.gz VFHIHDZFOIJMKV-BBWFWOEESA-N 2 2 346.519 3.092 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500213 154385838 /nfs/dbraw/zinc/38/58/38/154385838.db2.gz VFHIHDZFOIJMKV-ULQDDVLXSA-N 2 2 346.519 3.092 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500213 154385842 /nfs/dbraw/zinc/38/58/42/154385842.db2.gz VFHIHDZFOIJMKV-ULQDDVLXSA-N 2 2 346.519 3.092 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352611655 156381469 /nfs/dbraw/zinc/38/14/69/156381469.db2.gz JEWHBFBVIBKQQU-PKOBYXMFSA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352611655 156381472 /nfs/dbraw/zinc/38/14/72/156381472.db2.gz JEWHBFBVIBKQQU-PKOBYXMFSA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@H+](C[C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365508080 157151293 /nfs/dbraw/zinc/15/12/93/157151293.db2.gz NPNGLZODPSNRKU-QGZVFWFLSA-N 2 2 346.519 3.236 10 0 EGAELP CC[N@@H+](C[C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365508080 157151295 /nfs/dbraw/zinc/15/12/95/157151295.db2.gz NPNGLZODPSNRKU-QGZVFWFLSA-N 2 2 346.519 3.236 10 0 EGAELP c1csc(-c2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)no2)c1 ZINC000365759251 157223612 /nfs/dbraw/zinc/22/36/12/157223612.db2.gz GTKUMBKQTUNJES-OAHLLOKOSA-N 2 2 327.409 3.451 10 0 EGAELP c1csc(-c2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)no2)c1 ZINC000365759251 157223616 /nfs/dbraw/zinc/22/36/16/157223616.db2.gz GTKUMBKQTUNJES-OAHLLOKOSA-N 2 2 327.409 3.451 10 0 EGAELP CCOc1c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643691 162019450 /nfs/dbraw/zinc/01/94/50/162019450.db2.gz GHGXVIZMMJREQV-NVXWUHKLSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643691 162019453 /nfs/dbraw/zinc/01/94/53/162019453.db2.gz GHGXVIZMMJREQV-NVXWUHKLSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643691 162019457 /nfs/dbraw/zinc/01/94/57/162019457.db2.gz GHGXVIZMMJREQV-NVXWUHKLSA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643691 162019460 /nfs/dbraw/zinc/01/94/60/162019460.db2.gz GHGXVIZMMJREQV-NVXWUHKLSA-N 2 2 336.524 3.161 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000113253435 162207136 /nfs/dbraw/zinc/20/71/36/162207136.db2.gz XVMOIBLBOJSDMV-UHFFFAOYSA-N 2 2 346.478 3.405 10 0 EGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000125186804 162266265 /nfs/dbraw/zinc/26/62/65/162266265.db2.gz WKXRJCVROODCEZ-QGZVFWFLSA-N 2 2 349.563 3.268 10 0 EGAELP CCS[C@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000128908707 162339916 /nfs/dbraw/zinc/33/99/16/162339916.db2.gz DQRSMISAMVGEQC-CYBMUJFWSA-N 2 2 349.504 3.072 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2n1CCCC2 ZINC000131036005 162387979 /nfs/dbraw/zinc/38/79/79/162387979.db2.gz DKGCRXNVKALBNA-GJZGRUSLSA-N 2 2 336.443 3.212 10 0 EGAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354806540 166037416 /nfs/dbraw/zinc/03/74/16/166037416.db2.gz LTPHTGLNGPYKCV-CVEARBPZSA-N 2 2 348.535 3.265 10 0 EGAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354806540 166037418 /nfs/dbraw/zinc/03/74/18/166037418.db2.gz LTPHTGLNGPYKCV-CVEARBPZSA-N 2 2 348.535 3.265 10 0 EGAELP CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346150004 164350421 /nfs/dbraw/zinc/35/04/21/164350421.db2.gz LXRWQUHBCYDCIC-UHFFFAOYSA-N 2 2 346.500 3.013 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H]1CCCO1 ZINC000346541424 164393350 /nfs/dbraw/zinc/39/33/50/164393350.db2.gz DXXJRTVINBXBNJ-JVSBHGNQSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H]1CCCO1 ZINC000346541424 164393352 /nfs/dbraw/zinc/39/33/52/164393352.db2.gz DXXJRTVINBXBNJ-JVSBHGNQSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@H]1CCCO1)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCO1 ZINC000346541424 164393354 /nfs/dbraw/zinc/39/33/54/164393354.db2.gz DXXJRTVINBXBNJ-JVSBHGNQSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@H]1CCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346541424 164393356 /nfs/dbraw/zinc/39/33/56/164393356.db2.gz DXXJRTVINBXBNJ-JVSBHGNQSA-N 2 2 338.536 3.299 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353387256 165748404 /nfs/dbraw/zinc/74/84/04/165748404.db2.gz NYUSDGZGPGPNEE-DLBZAZTESA-N 2 2 347.532 3.181 10 0 EGAELP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000359036625 167046292 /nfs/dbraw/zinc/04/62/92/167046292.db2.gz MHBNDDXQEATNJC-QGLTVNCISA-N 2 2 344.425 3.184 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000194211414 266097684 /nfs/dbraw/zinc/09/76/84/266097684.db2.gz FDUXKPOSLVAVPE-SFHVURJKSA-N 2 2 349.563 3.269 10 0 EGAELP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000274243985 267205520 /nfs/dbraw/zinc/20/55/20/267205520.db2.gz RQPIIQHNQNARDD-UHFFFAOYSA-N 2 2 347.422 3.115 10 0 EGAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211325 275187497 /nfs/dbraw/zinc/18/74/97/275187497.db2.gz NMMCQYSKAXIFDN-INIZCTEOSA-N 2 2 340.427 3.480 10 0 EGAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211325 275187498 /nfs/dbraw/zinc/18/74/98/275187498.db2.gz NMMCQYSKAXIFDN-INIZCTEOSA-N 2 2 340.427 3.480 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@H](C)c2ccccc2)nc[nH+]1 ZINC000246434103 307975092 /nfs/dbraw/zinc/97/50/92/307975092.db2.gz OCOFRZZWBRNLDA-XYJFISCASA-N 2 2 339.487 3.269 10 0 EGAELP COc1c(C)c[nH+]c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c1C ZINC000295170584 308299152 /nfs/dbraw/zinc/29/91/52/308299152.db2.gz OIXTZMQCZMJJEC-UHFFFAOYSA-N 2 2 329.444 3.359 10 0 EGAELP CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414737906 309098191 /nfs/dbraw/zinc/09/81/91/309098191.db2.gz DRXGWXHBZAETMS-IBGZPJMESA-N 2 2 345.531 3.377 10 0 EGAELP CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414737906 309098192 /nfs/dbraw/zinc/09/81/92/309098192.db2.gz DRXGWXHBZAETMS-IBGZPJMESA-N 2 2 345.531 3.377 10 0 EGAELP FC(F)(F)c1cc[nH+]c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000301831840 308717361 /nfs/dbraw/zinc/71/73/61/308717361.db2.gz SURSWABSOMXCRR-HNNXBMFYSA-N 2 2 343.393 3.182 10 0 EGAELP Cc1cccc(NC[C@H]2CCN(c3nc(C4CC4)[nH+]c4c3CCC4)C2)[nH+]1 ZINC000328876234 308775493 /nfs/dbraw/zinc/77/54/93/308775493.db2.gz ZRPYOABKPFHPCD-OAHLLOKOSA-N 2 2 349.482 3.485 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]2)o1 ZINC000414854222 309105593 /nfs/dbraw/zinc/10/55/93/309105593.db2.gz YUTCDRUUVVJURA-QGZVFWFLSA-N 2 2 336.439 3.282 10 0 EGAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415017280 309114541 /nfs/dbraw/zinc/11/45/41/309114541.db2.gz PJVSGFOKYONUFO-CHWSQXEVSA-N 2 2 331.847 3.418 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040028 309115967 /nfs/dbraw/zinc/11/59/67/309115967.db2.gz JOZFACAOUDAMRQ-LRDDRELGSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040028 309115968 /nfs/dbraw/zinc/11/59/68/309115968.db2.gz JOZFACAOUDAMRQ-LRDDRELGSA-N 2 2 339.277 3.119 10 0 EGAELP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCC[NH3+])CC2 ZINC000420326768 309282437 /nfs/dbraw/zinc/28/24/37/309282437.db2.gz XQBIHMJQTNEIGM-GOSISDBHSA-N 2 2 332.469 3.062 10 0 EGAELP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCC[NH3+])CC2 ZINC000420326768 309282438 /nfs/dbraw/zinc/28/24/38/309282438.db2.gz XQBIHMJQTNEIGM-GOSISDBHSA-N 2 2 332.469 3.062 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372954 309284944 /nfs/dbraw/zinc/28/49/44/309284944.db2.gz MPXRNRIZFXMYBD-FXAWDEMLSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372954 309284945 /nfs/dbraw/zinc/28/49/45/309284945.db2.gz MPXRNRIZFXMYBD-FXAWDEMLSA-N 2 2 329.488 3.014 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391490 309285866 /nfs/dbraw/zinc/28/58/66/309285866.db2.gz ILKIQCGAGQLQSE-MAUKXSAKSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391490 309285867 /nfs/dbraw/zinc/28/58/67/309285867.db2.gz ILKIQCGAGQLQSE-MAUKXSAKSA-N 2 2 342.512 3.273 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422729810 309365491 /nfs/dbraw/zinc/36/54/91/309365491.db2.gz COUHOEUOCWYNPS-ACRUOGEOSA-N 2 2 340.467 3.466 10 0 EGAELP c1ccc(C(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422749699 309366398 /nfs/dbraw/zinc/36/63/98/309366398.db2.gz ANVONZIINFXDEZ-FGZHOGPDSA-N 2 2 336.479 3.175 10 0 EGAELP c1ccc(C(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422749700 309366496 /nfs/dbraw/zinc/36/64/96/309366496.db2.gz ANVONZIINFXDEZ-VXKWHMMOSA-N 2 2 336.479 3.175 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422791648 309368423 /nfs/dbraw/zinc/36/84/23/309368423.db2.gz WJHTXRZVJPJWMD-UXHICEINSA-N 3 2 342.487 3.063 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000422836702 309371118 /nfs/dbraw/zinc/37/11/18/309371118.db2.gz RSYZAJLANUIASG-QHAWAJNXSA-N 3 2 338.499 3.332 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422860611 309372386 /nfs/dbraw/zinc/37/23/86/309372386.db2.gz IJUZATQLJUBJFA-JENIJYKNSA-N 2 2 332.488 3.031 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422888862 309374466 /nfs/dbraw/zinc/37/44/66/309374466.db2.gz DUIIYRXSGDWKCQ-IFXJQAMLSA-N 2 2 341.430 3.166 10 0 EGAELP Clc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422910331 309375710 /nfs/dbraw/zinc/37/57/10/309375710.db2.gz QIWYVMARNMIADA-ROUUACIJSA-N 2 2 334.891 3.118 10 0 EGAELP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422999643 309380119 /nfs/dbraw/zinc/38/01/19/309380119.db2.gz FOAQSCBCTNUHAI-RTBURBONSA-N 2 2 332.488 3.285 10 0 EGAELP CCOC1CC(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000423067940 309384074 /nfs/dbraw/zinc/38/40/74/309384074.db2.gz IVELYTHPVIQCKF-YIGDWTTGSA-N 2 2 332.488 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423104123 309386109 /nfs/dbraw/zinc/38/61/09/309386109.db2.gz GRCMPVQGWOQAJV-GJZGRUSLSA-N 2 2 328.378 3.420 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137458 309387935 /nfs/dbraw/zinc/38/79/35/309387935.db2.gz QZYZASBKSRSSRJ-SFTDATJTSA-N 3 2 345.531 3.344 10 0 EGAELP COCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423167567 309389008 /nfs/dbraw/zinc/38/90/08/309389008.db2.gz SJPZBAULXCLXAN-MOPGFXCFSA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423176501 309389184 /nfs/dbraw/zinc/38/91/84/309389184.db2.gz GDBGVFKUKXXDGA-WOJBJXKFSA-N 2 2 339.483 3.451 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423230653 309391449 /nfs/dbraw/zinc/39/14/49/309391449.db2.gz DYRFMCANKPCYRW-JSGCOSHPSA-N 2 2 325.250 3.004 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423234735 309391881 /nfs/dbraw/zinc/39/18/81/309391881.db2.gz FZIVRINCZFSCHP-CJNGLKHVSA-N 2 2 330.428 3.063 10 0 EGAELP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1Br ZINC000423301620 309394561 /nfs/dbraw/zinc/39/45/61/309394561.db2.gz IBGQONZPNVUTDJ-QMMMGPOBSA-N 2 2 348.082 3.082 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC000449249134 310047347 /nfs/dbraw/zinc/04/73/47/310047347.db2.gz KSCMEFMENJVLHW-FXAWDEMLSA-N 2 2 342.483 3.388 10 0 EGAELP Cc1ccc(CCC[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c[nH+]1 ZINC000449422684 310060782 /nfs/dbraw/zinc/06/07/82/310060782.db2.gz NEAJNRLBXFLDEM-WOJBJXKFSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1ccc(CCC[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c[nH+]1 ZINC000449422684 310060783 /nfs/dbraw/zinc/06/07/83/310060783.db2.gz NEAJNRLBXFLDEM-WOJBJXKFSA-N 2 2 328.431 3.123 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000449389141 310058272 /nfs/dbraw/zinc/05/82/72/310058272.db2.gz RJVQZIUAUNATQQ-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000449389141 310058273 /nfs/dbraw/zinc/05/82/73/310058273.db2.gz RJVQZIUAUNATQQ-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397601 310058739 /nfs/dbraw/zinc/05/87/39/310058739.db2.gz QWKTXJNSARSWEV-YOEHRIQHSA-N 2 2 344.421 3.245 10 0 EGAELP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397601 310058740 /nfs/dbraw/zinc/05/87/40/310058740.db2.gz QWKTXJNSARSWEV-YOEHRIQHSA-N 2 2 344.421 3.245 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397811 310058948 /nfs/dbraw/zinc/05/89/48/310058948.db2.gz RQONKOCQEIWOHQ-WDSOQIARSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397811 310058949 /nfs/dbraw/zinc/05/89/49/310058949.db2.gz RQONKOCQEIWOHQ-WDSOQIARSA-N 2 2 336.907 3.413 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398361 310058960 /nfs/dbraw/zinc/05/89/60/310058960.db2.gz YAOMEQYGXRUDFV-PMACEKPBSA-N 2 2 332.463 3.198 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398361 310058961 /nfs/dbraw/zinc/05/89/61/310058961.db2.gz YAOMEQYGXRUDFV-PMACEKPBSA-N 2 2 332.463 3.198 10 0 EGAELP CCC[C@H](O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450570991 310130620 /nfs/dbraw/zinc/13/06/20/310130620.db2.gz QSGWLBKBGJGBPM-SFHVURJKSA-N 2 2 348.535 3.360 10 0 EGAELP CCC[C@H](O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450570991 310130621 /nfs/dbraw/zinc/13/06/21/310130621.db2.gz QSGWLBKBGJGBPM-SFHVURJKSA-N 2 2 348.535 3.360 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C)C[NH+]1CCCC1 ZINC000453061970 310255399 /nfs/dbraw/zinc/25/53/99/310255399.db2.gz OHVOFVIEVZQMTO-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000453244420 310266432 /nfs/dbraw/zinc/26/64/32/310266432.db2.gz DNEFXXLVMMQUHZ-MDASCCDHSA-N 2 2 345.874 3.300 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCO1 ZINC000453244420 310266433 /nfs/dbraw/zinc/26/64/33/310266433.db2.gz DNEFXXLVMMQUHZ-MDASCCDHSA-N 2 2 345.874 3.300 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263474 310267731 /nfs/dbraw/zinc/26/77/31/310267731.db2.gz LTHDKECOQHBKQW-DOTOQJQBSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)F)cc1 ZINC000453263474 310267732 /nfs/dbraw/zinc/26/77/32/310267732.db2.gz LTHDKECOQHBKQW-DOTOQJQBSA-N 2 2 342.430 3.176 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000453311681 310270455 /nfs/dbraw/zinc/27/04/55/310270455.db2.gz BBPVHAGPOUKXJR-QCFAMHMHSA-N 2 2 345.531 3.333 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000453311681 310270456 /nfs/dbraw/zinc/27/04/56/310270456.db2.gz BBPVHAGPOUKXJR-QCFAMHMHSA-N 2 2 345.531 3.333 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453318238 310270880 /nfs/dbraw/zinc/27/08/80/310270880.db2.gz LFMYWFNFAPDZPO-XUVXKRRUSA-N 2 2 338.499 3.436 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453318238 310270881 /nfs/dbraw/zinc/27/08/81/310270881.db2.gz LFMYWFNFAPDZPO-XUVXKRRUSA-N 2 2 338.499 3.436 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccnc3c(Br)cccc23)c1 ZINC000459658044 310566839 /nfs/dbraw/zinc/56/68/39/310566839.db2.gz ISQYTEFYROZGMB-UHFFFAOYSA-N 2 2 345.244 3.063 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055336 311162462 /nfs/dbraw/zinc/16/24/62/311162462.db2.gz FVRDIQJBRLRASZ-MSOLQXFVSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055336 311162463 /nfs/dbraw/zinc/16/24/63/311162463.db2.gz FVRDIQJBRLRASZ-MSOLQXFVSA-N 2 2 337.552 3.268 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359461 /nfs/dbraw/zinc/35/94/61/312359461.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359463 /nfs/dbraw/zinc/35/94/63/312359463.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359464 /nfs/dbraw/zinc/35/94/64/312359464.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359466 /nfs/dbraw/zinc/35/94/66/312359466.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])on1 ZINC000517356190 312376046 /nfs/dbraw/zinc/37/60/46/312376046.db2.gz HISSGYGWWFRITO-DLBZAZTESA-N 2 2 337.423 3.473 10 0 EGAELP CC1(C)Cc2cccc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)c2O1 ZINC000528727463 313157622 /nfs/dbraw/zinc/15/76/22/313157622.db2.gz QYMWNFAOOCLLFT-UHFFFAOYSA-N 2 2 344.499 3.087 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529675744 313384408 /nfs/dbraw/zinc/38/44/08/313384408.db2.gz IPMCBBMTQJPTRT-YDIMBITNSA-N 2 2 348.556 3.130 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529675744 313384410 /nfs/dbraw/zinc/38/44/10/313384410.db2.gz IPMCBBMTQJPTRT-YDIMBITNSA-N 2 2 348.556 3.130 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529675744 313384415 /nfs/dbraw/zinc/38/44/15/313384415.db2.gz IPMCBBMTQJPTRT-YDIMBITNSA-N 2 2 348.556 3.130 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529675744 313384418 /nfs/dbraw/zinc/38/44/18/313384418.db2.gz IPMCBBMTQJPTRT-YDIMBITNSA-N 2 2 348.556 3.130 10 0 EGAELP CCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536695754 314139400 /nfs/dbraw/zinc/13/94/00/314139400.db2.gz CSMCCYPQIZZTKD-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536695754 314139405 /nfs/dbraw/zinc/13/94/05/314139405.db2.gz CSMCCYPQIZZTKD-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000536695754 314139407 /nfs/dbraw/zinc/13/94/07/314139407.db2.gz CSMCCYPQIZZTKD-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000536695754 314139411 /nfs/dbraw/zinc/13/94/11/314139411.db2.gz CSMCCYPQIZZTKD-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944587 314218837 /nfs/dbraw/zinc/21/88/37/314218837.db2.gz HIWNOICIMMWGSR-WZPWBUNQSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944587 314218838 /nfs/dbraw/zinc/21/88/38/314218838.db2.gz HIWNOICIMMWGSR-WZPWBUNQSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944587 314218842 /nfs/dbraw/zinc/21/88/42/314218842.db2.gz HIWNOICIMMWGSR-WZPWBUNQSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537944587 314218845 /nfs/dbraw/zinc/21/88/45/314218845.db2.gz HIWNOICIMMWGSR-WZPWBUNQSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083050 314295307 /nfs/dbraw/zinc/29/53/07/314295307.db2.gz FVMKLVDQEAECCV-MLGOLLRUSA-N 2 2 346.862 3.005 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083050 314295312 /nfs/dbraw/zinc/29/53/12/314295312.db2.gz FVMKLVDQEAECCV-MLGOLLRUSA-N 2 2 346.862 3.005 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806665 314340545 /nfs/dbraw/zinc/34/05/45/314340545.db2.gz WYXNDXQHTPBYDF-YOEHRIQHSA-N 2 2 335.455 3.011 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806665 314340550 /nfs/dbraw/zinc/34/05/50/314340550.db2.gz WYXNDXQHTPBYDF-YOEHRIQHSA-N 2 2 335.455 3.011 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936593 315111246 /nfs/dbraw/zinc/11/12/46/315111246.db2.gz NCOUYANSRUQBIG-HZMBPMFUSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936593 315111248 /nfs/dbraw/zinc/11/12/48/315111248.db2.gz NCOUYANSRUQBIG-HZMBPMFUSA-N 2 2 331.685 3.185 10 0 EGAELP COC(=O)c1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000561970817 315791219 /nfs/dbraw/zinc/79/12/19/315791219.db2.gz TULXCLJRIBNMJJ-UHFFFAOYSA-N 2 2 335.407 3.257 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)o1 ZINC000564404682 316147329 /nfs/dbraw/zinc/14/73/29/316147329.db2.gz UZORWQTZCKRBSM-UHFFFAOYSA-N 2 2 344.411 3.121 10 0 EGAELP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565193736 316287921 /nfs/dbraw/zinc/28/79/21/316287921.db2.gz ADTQKQNTQCVKLE-CQSZACIVSA-N 2 2 325.412 3.463 10 0 EGAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565193736 316287923 /nfs/dbraw/zinc/28/79/23/316287923.db2.gz ADTQKQNTQCVKLE-CQSZACIVSA-N 2 2 325.412 3.463 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296178 317036485 /nfs/dbraw/zinc/03/64/85/317036485.db2.gz GHPQTRRKYUIMMZ-KRWDZBQOSA-N 2 2 336.483 3.483 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296178 317036489 /nfs/dbraw/zinc/03/64/89/317036489.db2.gz GHPQTRRKYUIMMZ-KRWDZBQOSA-N 2 2 336.483 3.483 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000574501596 317605422 /nfs/dbraw/zinc/60/54/22/317605422.db2.gz QVYVAXTWSBVXHQ-XKGZKEIXSA-N 2 2 347.466 3.411 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000177357750 323339415 /nfs/dbraw/zinc/33/94/15/323339415.db2.gz GRURDSNXXPEWFT-KBPBESRZSA-N 2 2 341.293 3.068 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558243 324279669 /nfs/dbraw/zinc/27/96/69/324279669.db2.gz SMOHXUHWGSDGNK-HIFRSBDPSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558243 324279673 /nfs/dbraw/zinc/27/96/73/324279673.db2.gz SMOHXUHWGSDGNK-HIFRSBDPSA-N 2 2 339.277 3.347 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579592347 325132447 /nfs/dbraw/zinc/13/24/47/325132447.db2.gz QCOWGFONFIHWKO-IRXDYDNUSA-N 2 2 328.485 3.312 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579592347 325132450 /nfs/dbraw/zinc/13/24/50/325132450.db2.gz QCOWGFONFIHWKO-IRXDYDNUSA-N 2 2 328.485 3.312 10 0 EGAELP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000580075064 325199779 /nfs/dbraw/zinc/19/97/79/325199779.db2.gz SZIRONKKTPYFCC-HNNXBMFYSA-N 2 2 327.241 3.164 10 0 EGAELP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000580075064 325199783 /nfs/dbraw/zinc/19/97/83/325199783.db2.gz SZIRONKKTPYFCC-HNNXBMFYSA-N 2 2 327.241 3.164 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000581662560 325380582 /nfs/dbraw/zinc/38/05/82/325380582.db2.gz ODMFLCPIHJQGKS-SFHVURJKSA-N 2 2 328.456 3.085 10 0 EGAELP C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656280 455219381 /nfs/dbraw/zinc/21/93/81/455219381.db2.gz ORWBBPZHHWZBLM-UPTPFMHGSA-N 2 2 340.471 3.218 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655619 455219648 /nfs/dbraw/zinc/21/96/48/455219648.db2.gz ULYKGGWXNGANCC-FUHWJXTLSA-N 2 2 340.471 3.314 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655658 455219810 /nfs/dbraw/zinc/21/98/10/455219810.db2.gz ULYKGGWXNGANCC-SJLPKXTDSA-N 2 2 340.471 3.314 10 0 EGAELP Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180657884 455220979 /nfs/dbraw/zinc/22/09/79/455220979.db2.gz NCVWBXLDNBGFHL-INIZCTEOSA-N 2 2 334.423 3.470 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663367 455221224 /nfs/dbraw/zinc/22/12/24/455221224.db2.gz SDTKGBQJUPHXEB-BBWFWOEESA-N 2 2 340.471 3.312 10 0 EGAELP COc1cc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000370728773 457708321 /nfs/dbraw/zinc/70/83/21/457708321.db2.gz DCGNYVMPKNGTPU-SNVBAGLBSA-N 2 2 326.227 3.372 10 0 EGAELP COc1cc(Cl)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000370728773 457708326 /nfs/dbraw/zinc/70/83/26/457708326.db2.gz DCGNYVMPKNGTPU-SNVBAGLBSA-N 2 2 326.227 3.372 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004363 458252639 /nfs/dbraw/zinc/25/26/39/458252639.db2.gz LIJXTHYDDXEMET-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004363 458252646 /nfs/dbraw/zinc/25/26/46/458252646.db2.gz LIJXTHYDDXEMET-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004363 458252655 /nfs/dbraw/zinc/25/26/55/458252655.db2.gz LIJXTHYDDXEMET-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004363 458252661 /nfs/dbraw/zinc/25/26/61/458252661.db2.gz LIJXTHYDDXEMET-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917947 455253747 /nfs/dbraw/zinc/25/37/47/455253747.db2.gz IAFCVGQQAMDWCN-IAGOWNOFSA-N 2 2 342.487 3.416 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623445896 460554252 /nfs/dbraw/zinc/55/42/52/460554252.db2.gz IVFBRPNLUMSHSA-XHDPSFHLSA-N 2 2 346.368 3.339 10 0 EGAELP Cc1cc(F)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190475032 455326983 /nfs/dbraw/zinc/32/69/83/455326983.db2.gz ZUISIBRTKWOYGW-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190475032 455326986 /nfs/dbraw/zinc/32/69/86/455326986.db2.gz ZUISIBRTKWOYGW-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475032 455326991 /nfs/dbraw/zinc/32/69/91/455326991.db2.gz ZUISIBRTKWOYGW-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475032 455326995 /nfs/dbraw/zinc/32/69/95/455326995.db2.gz ZUISIBRTKWOYGW-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822781 460572808 /nfs/dbraw/zinc/57/28/08/460572808.db2.gz OIKGIKYZPLJFQC-QFBILLFUSA-N 2 2 341.455 3.314 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822781 460572816 /nfs/dbraw/zinc/57/28/16/460572816.db2.gz OIKGIKYZPLJFQC-QFBILLFUSA-N 2 2 341.455 3.314 10 0 EGAELP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000265475453 455331592 /nfs/dbraw/zinc/33/15/92/455331592.db2.gz JDJPKCMCMRIFQR-ZDUSSCGKSA-N 2 2 346.862 3.120 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000245577615 455334356 /nfs/dbraw/zinc/33/43/56/455334356.db2.gz FRMVRXQPFXQJKG-FRQROOTJSA-N 2 2 340.870 3.487 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000245577615 455334361 /nfs/dbraw/zinc/33/43/61/455334361.db2.gz FRMVRXQPFXQJKG-FRQROOTJSA-N 2 2 340.870 3.487 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265508188 455336691 /nfs/dbraw/zinc/33/66/91/455336691.db2.gz QQASSMGLYGVWPK-AWEZNQCLSA-N 2 2 326.444 3.179 10 0 EGAELP CCCCCOc1cc(Cl)cc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000075252516 453873302 /nfs/dbraw/zinc/87/33/02/453873302.db2.gz YDVACOIRJULMDQ-UHFFFAOYSA-N 2 2 337.855 3.095 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081482 455422493 /nfs/dbraw/zinc/42/24/93/455422493.db2.gz HWZCQSSPXWQXMS-KBXCAEBGSA-N 2 2 328.435 3.132 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081482 455422497 /nfs/dbraw/zinc/42/24/97/455422497.db2.gz HWZCQSSPXWQXMS-KBXCAEBGSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081482 455422500 /nfs/dbraw/zinc/42/25/00/455422500.db2.gz HWZCQSSPXWQXMS-KBXCAEBGSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081482 455422505 /nfs/dbraw/zinc/42/25/05/455422505.db2.gz HWZCQSSPXWQXMS-KBXCAEBGSA-N 2 2 328.435 3.132 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071912028 454254520 /nfs/dbraw/zinc/25/45/20/454254520.db2.gz WCCYKKQJSGFNHF-CQSZACIVSA-N 2 2 340.870 3.412 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071912028 454254522 /nfs/dbraw/zinc/25/45/22/454254522.db2.gz WCCYKKQJSGFNHF-CQSZACIVSA-N 2 2 340.870 3.412 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000122945899 454585294 /nfs/dbraw/zinc/58/52/94/454585294.db2.gz BOSZYFOUBABWIG-WAIKUNEKSA-N 2 2 331.485 3.020 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000122945899 454585296 /nfs/dbraw/zinc/58/52/96/454585296.db2.gz BOSZYFOUBABWIG-WAIKUNEKSA-N 2 2 331.485 3.020 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134870780 454600356 /nfs/dbraw/zinc/60/03/56/454600356.db2.gz YANPHYROKPOWDW-DYVFJYSZSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134870780 454600359 /nfs/dbraw/zinc/60/03/59/454600359.db2.gz YANPHYROKPOWDW-DYVFJYSZSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134870780 454600362 /nfs/dbraw/zinc/60/03/62/454600362.db2.gz YANPHYROKPOWDW-DYVFJYSZSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134870780 454600367 /nfs/dbraw/zinc/60/03/67/454600367.db2.gz YANPHYROKPOWDW-DYVFJYSZSA-N 2 2 329.419 3.416 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134931786 454611567 /nfs/dbraw/zinc/61/15/67/454611567.db2.gz UQTPKRYRKKEHQX-ZMSDIMECSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134931786 454611570 /nfs/dbraw/zinc/61/15/70/454611570.db2.gz UQTPKRYRKKEHQX-ZMSDIMECSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134931786 454611572 /nfs/dbraw/zinc/61/15/72/454611572.db2.gz UQTPKRYRKKEHQX-ZMSDIMECSA-N 2 2 332.492 3.422 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000105897586 454666795 /nfs/dbraw/zinc/66/67/95/454666795.db2.gz KDTHQPIEVZNYBK-PBHICJAKSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000105897586 454666797 /nfs/dbraw/zinc/66/67/97/454666797.db2.gz KDTHQPIEVZNYBK-PBHICJAKSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000105904163 454668658 /nfs/dbraw/zinc/66/86/58/454668658.db2.gz JMIIOALKBUQVIM-KRWDZBQOSA-N 2 2 326.444 3.111 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000105904163 454668663 /nfs/dbraw/zinc/66/86/63/454668663.db2.gz JMIIOALKBUQVIM-KRWDZBQOSA-N 2 2 326.444 3.111 10 0 EGAELP Cc1nc2[nH]ccc2c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081019293 454672956 /nfs/dbraw/zinc/67/29/56/454672956.db2.gz LPIHPZFPVMSOHV-QGZVFWFLSA-N 2 2 335.455 3.225 10 0 EGAELP Cc1nc2[nH]ccc2c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081019293 454672961 /nfs/dbraw/zinc/67/29/61/454672961.db2.gz LPIHPZFPVMSOHV-QGZVFWFLSA-N 2 2 335.455 3.225 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095077 454684995 /nfs/dbraw/zinc/68/49/95/454684995.db2.gz WQOOBZASDMYVRL-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095077 454685001 /nfs/dbraw/zinc/68/50/01/454685001.db2.gz WQOOBZASDMYVRL-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095077 454685005 /nfs/dbraw/zinc/68/50/05/454685005.db2.gz WQOOBZASDMYVRL-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000081095077 454685009 /nfs/dbraw/zinc/68/50/09/454685009.db2.gz WQOOBZASDMYVRL-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1 ZINC000106215697 454686358 /nfs/dbraw/zinc/68/63/58/454686358.db2.gz WBMOYFHRKPZKCW-ZWKOTPCHSA-N 2 2 348.535 3.413 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1 ZINC000106215697 454686362 /nfs/dbraw/zinc/68/63/62/454686362.db2.gz WBMOYFHRKPZKCW-ZWKOTPCHSA-N 2 2 348.535 3.413 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000153274460 454776664 /nfs/dbraw/zinc/77/66/64/454776664.db2.gz HWEQWFGPVXWTRT-ZBFHGGJFSA-N 2 2 342.430 3.297 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000162960098 454812455 /nfs/dbraw/zinc/81/24/55/454812455.db2.gz GHNNYPIAODQYLT-LPHOPBHVSA-N 2 2 341.455 3.305 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000162960098 454812459 /nfs/dbraw/zinc/81/24/59/454812459.db2.gz GHNNYPIAODQYLT-LPHOPBHVSA-N 2 2 341.455 3.305 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000163333997 454840304 /nfs/dbraw/zinc/84/03/04/454840304.db2.gz KUUXGGCTTIXORO-GUTXKFCHSA-N 2 2 326.531 3.374 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000163333997 454840308 /nfs/dbraw/zinc/84/03/08/454840308.db2.gz KUUXGGCTTIXORO-GUTXKFCHSA-N 2 2 326.531 3.374 10 0 EGAELP Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC000126038690 454865263 /nfs/dbraw/zinc/86/52/63/454865263.db2.gz YHSYVULKLWKQDL-IRXDYDNUSA-N 2 2 338.411 3.087 10 0 EGAELP CCCCC[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154433780 454896280 /nfs/dbraw/zinc/89/62/80/454896280.db2.gz GAXLDYHFOPQPAM-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCC[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154433780 454896284 /nfs/dbraw/zinc/89/62/84/454896284.db2.gz GAXLDYHFOPQPAM-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000170645418 454948773 /nfs/dbraw/zinc/94/87/73/454948773.db2.gz IIIMAYRIUQBBOV-QGZVFWFLSA-N 2 2 337.427 3.018 10 0 EGAELP Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000170645418 454948776 /nfs/dbraw/zinc/94/87/76/454948776.db2.gz IIIMAYRIUQBBOV-QGZVFWFLSA-N 2 2 337.427 3.018 10 0 EGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000127291260 454952182 /nfs/dbraw/zinc/95/21/82/454952182.db2.gz OHISJJLOEOQMQZ-UXHICEINSA-N 2 2 328.500 3.385 10 0 EGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000127291260 454952187 /nfs/dbraw/zinc/95/21/87/454952187.db2.gz OHISJJLOEOQMQZ-UXHICEINSA-N 2 2 328.500 3.385 10 0 EGAELP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C ZINC000178389868 454953834 /nfs/dbraw/zinc/95/38/34/454953834.db2.gz ZPCGBPLOHNUQSD-QGZVFWFLSA-N 2 2 347.551 3.415 10 0 EGAELP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C ZINC000178389868 454953838 /nfs/dbraw/zinc/95/38/38/454953838.db2.gz ZPCGBPLOHNUQSD-QGZVFWFLSA-N 2 2 347.551 3.415 10 0 EGAELP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151279012 454963134 /nfs/dbraw/zinc/96/31/34/454963134.db2.gz XLPNUTAXGUSQNO-HOCLYGCPSA-N 2 2 340.895 3.236 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000178745659 454971773 /nfs/dbraw/zinc/97/17/73/454971773.db2.gz VROPEDREKDXRGD-QGZVFWFLSA-N 2 2 337.423 3.271 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000178745659 454971776 /nfs/dbraw/zinc/97/17/76/454971776.db2.gz VROPEDREKDXRGD-QGZVFWFLSA-N 2 2 337.423 3.271 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000151439667 454984793 /nfs/dbraw/zinc/98/47/93/454984793.db2.gz OLVJYYYCXYEEIK-TZMCWYRMSA-N 2 2 335.477 3.053 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000151439667 454984794 /nfs/dbraw/zinc/98/47/94/454984794.db2.gz OLVJYYYCXYEEIK-TZMCWYRMSA-N 2 2 335.477 3.053 10 0 EGAELP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000151478061 454990565 /nfs/dbraw/zinc/99/05/65/454990565.db2.gz BLQIYZFJFDWFMU-LBPRGKRZSA-N 2 2 327.457 3.445 10 0 EGAELP CCCc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000170942139 455003686 /nfs/dbraw/zinc/00/36/86/455003686.db2.gz IDNAPFXSDZZMFB-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP CCCc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000170942139 455003687 /nfs/dbraw/zinc/00/36/87/455003687.db2.gz IDNAPFXSDZZMFB-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000115384160 455012987 /nfs/dbraw/zinc/01/29/87/455012987.db2.gz MJRGUBDUDXXORT-INIZCTEOSA-N 2 2 325.412 3.006 10 0 EGAELP Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000115384160 455012989 /nfs/dbraw/zinc/01/29/89/455012989.db2.gz MJRGUBDUDXXORT-INIZCTEOSA-N 2 2 325.412 3.006 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156643293 455140834 /nfs/dbraw/zinc/14/08/34/455140834.db2.gz ITRKWHLYOUFHRZ-ZGGTZUKQSA-N 2 2 341.499 3.283 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156643293 455140838 /nfs/dbraw/zinc/14/08/38/455140838.db2.gz ITRKWHLYOUFHRZ-ZGGTZUKQSA-N 2 2 341.499 3.283 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000156663642 455142222 /nfs/dbraw/zinc/14/22/22/455142222.db2.gz SZYNUYXDYYKIAZ-KRWDZBQOSA-N 2 2 341.455 3.426 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000156663642 455142225 /nfs/dbraw/zinc/14/22/25/455142225.db2.gz SZYNUYXDYYKIAZ-KRWDZBQOSA-N 2 2 341.455 3.426 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414264 455292126 /nfs/dbraw/zinc/29/21/26/455292126.db2.gz CDNACYNJBGNFLG-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414264 455292129 /nfs/dbraw/zinc/29/21/29/455292129.db2.gz CDNACYNJBGNFLG-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414264 455292130 /nfs/dbraw/zinc/29/21/30/455292130.db2.gz CDNACYNJBGNFLG-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414264 455292135 /nfs/dbraw/zinc/29/21/35/455292135.db2.gz CDNACYNJBGNFLG-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245425638 455295982 /nfs/dbraw/zinc/29/59/82/455295982.db2.gz KUPUHBCITXLRBW-PBHICJAKSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245425638 455295990 /nfs/dbraw/zinc/29/59/90/455295990.db2.gz KUPUHBCITXLRBW-PBHICJAKSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245425638 455295999 /nfs/dbraw/zinc/29/59/99/455295999.db2.gz KUPUHBCITXLRBW-PBHICJAKSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245425638 455296007 /nfs/dbraw/zinc/29/60/07/455296007.db2.gz KUPUHBCITXLRBW-PBHICJAKSA-N 2 2 332.467 3.357 10 0 EGAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478498 455328407 /nfs/dbraw/zinc/32/84/07/455328407.db2.gz HNWVZYOUENFLTR-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478498 455328413 /nfs/dbraw/zinc/32/84/13/455328413.db2.gz HNWVZYOUENFLTR-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478498 455328419 /nfs/dbraw/zinc/32/84/19/455328419.db2.gz HNWVZYOUENFLTR-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652288 455348272 /nfs/dbraw/zinc/34/82/72/455348272.db2.gz HRXULKUUOPCHLP-HZPDHXFCSA-N 2 2 340.254 3.170 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652288 455348274 /nfs/dbraw/zinc/34/82/74/455348274.db2.gz HRXULKUUOPCHLP-HZPDHXFCSA-N 2 2 340.254 3.170 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000181987595 455410888 /nfs/dbraw/zinc/41/08/88/455410888.db2.gz VSFIDEKTVKESIG-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000185204619 455520777 /nfs/dbraw/zinc/52/07/77/455520777.db2.gz ZIFJVMQVAFUTCN-SJLPKXTDSA-N 2 2 334.504 3.361 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247013059 455543437 /nfs/dbraw/zinc/54/34/37/455543437.db2.gz XNXJQVKCOYGOBY-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247013059 455543442 /nfs/dbraw/zinc/54/34/42/455543442.db2.gz XNXJQVKCOYGOBY-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247013059 455543447 /nfs/dbraw/zinc/54/34/47/455543447.db2.gz XNXJQVKCOYGOBY-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247013059 455543453 /nfs/dbraw/zinc/54/34/53/455543453.db2.gz XNXJQVKCOYGOBY-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000247042194 455550297 /nfs/dbraw/zinc/55/02/97/455550297.db2.gz MUAJAQQQITXQFU-WFASDCNBSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047142 455550842 /nfs/dbraw/zinc/55/08/42/455550842.db2.gz OBGLYQDHVFGZLS-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047142 455550845 /nfs/dbraw/zinc/55/08/45/455550845.db2.gz OBGLYQDHVFGZLS-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047142 455550847 /nfs/dbraw/zinc/55/08/47/455550847.db2.gz OBGLYQDHVFGZLS-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047142 455550850 /nfs/dbraw/zinc/55/08/50/455550850.db2.gz OBGLYQDHVFGZLS-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230219 455603238 /nfs/dbraw/zinc/60/32/38/455603238.db2.gz VSRRYYWGCQVNOZ-UZLBHIALSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230219 455603242 /nfs/dbraw/zinc/60/32/42/455603242.db2.gz VSRRYYWGCQVNOZ-UZLBHIALSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292230219 455603247 /nfs/dbraw/zinc/60/32/47/455603247.db2.gz VSRRYYWGCQVNOZ-UZLBHIALSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292230219 455603251 /nfs/dbraw/zinc/60/32/51/455603251.db2.gz VSRRYYWGCQVNOZ-UZLBHIALSA-N 2 2 329.488 3.166 10 0 EGAELP c1cn(Cc2ccccc2)nc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000284260539 455659658 /nfs/dbraw/zinc/65/96/58/455659658.db2.gz GGSTXLNYACCQDM-UHFFFAOYSA-N 2 2 347.466 3.085 10 0 EGAELP CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000192839737 455703344 /nfs/dbraw/zinc/70/33/44/455703344.db2.gz HKQPGXQUHORACN-MRXNPFEDSA-N 2 2 340.471 3.170 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186443429 455770562 /nfs/dbraw/zinc/77/05/62/455770562.db2.gz PQDYOELGQWNSNU-DFQSSKMNSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186443429 455770567 /nfs/dbraw/zinc/77/05/67/455770567.db2.gz PQDYOELGQWNSNU-DFQSSKMNSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000250125540 455785371 /nfs/dbraw/zinc/78/53/71/455785371.db2.gz WBZRGKPOKBLMTM-QHAWAJNXSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000250125540 455785377 /nfs/dbraw/zinc/78/53/77/455785377.db2.gz WBZRGKPOKBLMTM-QHAWAJNXSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252664181 455826015 /nfs/dbraw/zinc/82/60/15/455826015.db2.gz UWTWSCSYNBLAGQ-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252664181 455826023 /nfs/dbraw/zinc/82/60/23/455826023.db2.gz UWTWSCSYNBLAGQ-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)ccc2[nH+]1 ZINC000606569999 460698462 /nfs/dbraw/zinc/69/84/62/460698462.db2.gz LYJIPEDBYUSOML-HUUCEWRRSA-N 2 2 329.448 3.027 10 0 EGAELP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000261687771 455928595 /nfs/dbraw/zinc/92/85/95/455928595.db2.gz KKOBSGFPTBGVJM-SFHVURJKSA-N 2 2 342.443 3.219 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515947 455976109 /nfs/dbraw/zinc/97/61/09/455976109.db2.gz BZXRNPBRAIAPSZ-ZIAGYGMSSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515947 455976112 /nfs/dbraw/zinc/97/61/12/455976112.db2.gz BZXRNPBRAIAPSZ-ZIAGYGMSSA-N 2 2 329.448 3.257 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000195515968 455977451 /nfs/dbraw/zinc/97/74/51/455977451.db2.gz QQQCGYFAKUZWCL-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000195515968 455977456 /nfs/dbraw/zinc/97/74/56/455977456.db2.gz QQQCGYFAKUZWCL-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000270695839 456017526 /nfs/dbraw/zinc/01/75/26/456017526.db2.gz HCYFMFDANSXNHH-CABCVRRESA-N 2 2 329.354 3.093 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000270695839 456017528 /nfs/dbraw/zinc/01/75/28/456017528.db2.gz HCYFMFDANSXNHH-CABCVRRESA-N 2 2 329.354 3.093 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)cn1 ZINC000297071261 456109426 /nfs/dbraw/zinc/10/94/26/456109426.db2.gz ZNFWCTNMHAEFNB-ZDUSSCGKSA-N 2 2 332.398 3.272 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)cn1 ZINC000297071261 456109432 /nfs/dbraw/zinc/10/94/32/456109432.db2.gz ZNFWCTNMHAEFNB-ZDUSSCGKSA-N 2 2 332.398 3.272 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000297296157 456176082 /nfs/dbraw/zinc/17/60/82/456176082.db2.gz AZVDTZXPVZEGAA-LJQANCHMSA-N 2 2 341.480 3.260 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000297296157 456176089 /nfs/dbraw/zinc/17/60/89/456176089.db2.gz AZVDTZXPVZEGAA-LJQANCHMSA-N 2 2 341.480 3.260 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115042 456231694 /nfs/dbraw/zinc/23/16/94/456231694.db2.gz FBIQCQSSTATGNH-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115042 456231700 /nfs/dbraw/zinc/23/17/00/456231700.db2.gz FBIQCQSSTATGNH-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115042 456231708 /nfs/dbraw/zinc/23/17/08/456231708.db2.gz FBIQCQSSTATGNH-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115042 456231715 /nfs/dbraw/zinc/23/17/15/456231715.db2.gz FBIQCQSSTATGNH-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP Nc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]c2ccccc12 ZINC000301898875 456246519 /nfs/dbraw/zinc/24/65/19/456246519.db2.gz XHQGHQNNMDFSIQ-MRXNPFEDSA-N 2 2 339.487 3.304 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795795 456316941 /nfs/dbraw/zinc/31/69/41/456316941.db2.gz FPHYQODFICDYAD-IBGZPJMESA-N 2 2 344.499 3.402 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795795 456316950 /nfs/dbraw/zinc/31/69/50/456316950.db2.gz FPHYQODFICDYAD-IBGZPJMESA-N 2 2 344.499 3.402 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281902641 456353891 /nfs/dbraw/zinc/35/38/91/456353891.db2.gz BQKZBOMBIAYLKV-OAHLLOKOSA-N 2 2 326.444 3.003 10 0 EGAELP COc1cc(C)nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282222968 456447326 /nfs/dbraw/zinc/44/73/26/456447326.db2.gz YUBNWZFMOYVCSU-INIZCTEOSA-N 2 2 340.471 3.311 10 0 EGAELP COc1cc(C)nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282222968 456447333 /nfs/dbraw/zinc/44/73/33/456447333.db2.gz YUBNWZFMOYVCSU-INIZCTEOSA-N 2 2 340.471 3.311 10 0 EGAELP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000348074548 456458066 /nfs/dbraw/zinc/45/80/66/456458066.db2.gz MCRRHZJBZPHQIS-HOTGVXAUSA-N 2 2 339.361 3.131 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348320042 456620521 /nfs/dbraw/zinc/62/05/21/456620521.db2.gz QGQKMCKXWTWARU-ZIAGYGMSSA-N 2 2 335.411 3.150 10 0 EGAELP Cn1cnc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282822157 456635926 /nfs/dbraw/zinc/63/59/26/456635926.db2.gz UDZVPHUOZRDXDJ-KRWDZBQOSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1cnc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282822157 456635935 /nfs/dbraw/zinc/63/59/35/456635935.db2.gz UDZVPHUOZRDXDJ-KRWDZBQOSA-N 2 2 349.482 3.486 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350849 456637865 /nfs/dbraw/zinc/63/78/65/456637865.db2.gz XXEQRZGJHKSELT-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350849 456637870 /nfs/dbraw/zinc/63/78/70/456637870.db2.gz XXEQRZGJHKSELT-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000348349404 456641140 /nfs/dbraw/zinc/64/11/40/456641140.db2.gz KRXMMWIKKLTWSR-FXAWDEMLSA-N 2 2 337.467 3.102 10 0 EGAELP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236331 456663731 /nfs/dbraw/zinc/66/37/31/456663731.db2.gz WUJBXTIHQSNBDQ-YJBOKZPZSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236331 456663734 /nfs/dbraw/zinc/66/37/34/456663734.db2.gz WUJBXTIHQSNBDQ-YJBOKZPZSA-N 2 2 329.419 3.445 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207298 456663779 /nfs/dbraw/zinc/66/37/79/456663779.db2.gz OMMAKQJNPPUZIC-ROUUACIJSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207298 456663782 /nfs/dbraw/zinc/66/37/82/456663782.db2.gz OMMAKQJNPPUZIC-ROUUACIJSA-N 2 2 329.488 3.014 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1O ZINC000353390458 456668122 /nfs/dbraw/zinc/66/81/22/456668122.db2.gz URNILWVOKGRKFP-CQSZACIVSA-N 2 2 327.428 3.115 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000324603196 456671223 /nfs/dbraw/zinc/67/12/23/456671223.db2.gz IGRBWXANSBQMKD-WBVHZDCISA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000324603196 456671226 /nfs/dbraw/zinc/67/12/26/456671226.db2.gz IGRBWXANSBQMKD-WBVHZDCISA-N 2 2 326.444 3.009 10 0 EGAELP COc1ccc(CC[C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1O ZINC000277206618 456723284 /nfs/dbraw/zinc/72/32/84/456723284.db2.gz KJWHYBMWELFNFM-OAHLLOKOSA-N 2 2 339.439 3.202 10 0 EGAELP COc1ccc(CC[C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1O ZINC000277206615 456723993 /nfs/dbraw/zinc/72/39/93/456723993.db2.gz KJWHYBMWELFNFM-HNNXBMFYSA-N 2 2 339.439 3.202 10 0 EGAELP Cc1cc(Br)cc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000343585489 456725591 /nfs/dbraw/zinc/72/55/91/456725591.db2.gz XSMSOASAWQRVBV-UHFFFAOYSA-N 2 2 334.261 3.402 10 0 EGAELP Cc1cc(Br)cc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000343585489 456725596 /nfs/dbraw/zinc/72/55/96/456725596.db2.gz XSMSOASAWQRVBV-UHFFFAOYSA-N 2 2 334.261 3.402 10 0 EGAELP Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)nc(-c2cccnc2)[nH+]1 ZINC000301120139 456801427 /nfs/dbraw/zinc/80/14/27/456801427.db2.gz RBTAGCWGAFYKBR-LJQANCHMSA-N 2 2 347.466 3.432 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042305 456837906 /nfs/dbraw/zinc/83/79/06/456837906.db2.gz APCNKSYOPDIVFP-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042305 456837908 /nfs/dbraw/zinc/83/79/08/456837908.db2.gz APCNKSYOPDIVFP-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042305 456837912 /nfs/dbraw/zinc/83/79/12/456837912.db2.gz APCNKSYOPDIVFP-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292042305 456837914 /nfs/dbraw/zinc/83/79/14/456837914.db2.gz APCNKSYOPDIVFP-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000345062237 456913034 /nfs/dbraw/zinc/91/30/34/456913034.db2.gz IWGWRFYEENWPRK-MRXNPFEDSA-N 2 2 327.476 3.049 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCCC1 ZINC000353973446 456985205 /nfs/dbraw/zinc/98/52/05/456985205.db2.gz PZMOZZQUAJCDNR-BPIHKTFHSA-N 2 2 335.536 3.019 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCCC1 ZINC000353973446 456985208 /nfs/dbraw/zinc/98/52/08/456985208.db2.gz PZMOZZQUAJCDNR-BPIHKTFHSA-N 2 2 335.536 3.019 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028421 /nfs/dbraw/zinc/02/84/21/457028421.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 2 2 326.488 3.349 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028424 /nfs/dbraw/zinc/02/84/24/457028424.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028429 /nfs/dbraw/zinc/02/84/29/457028429.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028435 /nfs/dbraw/zinc/02/84/35/457028435.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 2 2 326.488 3.349 10 0 EGAELP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[nH]1 ZINC000362989856 457185888 /nfs/dbraw/zinc/18/58/88/457185888.db2.gz LKZDUCNIIPRZLO-TZMCWYRMSA-N 2 2 339.447 3.058 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354418221 457208802 /nfs/dbraw/zinc/20/88/02/457208802.db2.gz QCWWNSGKSXUWSU-OAQYLSRUSA-N 2 2 342.458 3.115 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354418221 457208809 /nfs/dbraw/zinc/20/88/09/457208809.db2.gz QCWWNSGKSXUWSU-OAQYLSRUSA-N 2 2 342.458 3.115 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342589141 457384061 /nfs/dbraw/zinc/38/40/61/457384061.db2.gz LTDKLZKHWMWMEB-CVEARBPZSA-N 2 2 340.471 3.163 10 0 EGAELP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000373895645 457389952 /nfs/dbraw/zinc/38/99/52/457389952.db2.gz AVZUATWLJMODAY-UZLBHIALSA-N 2 2 325.456 3.416 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011626 457511419 /nfs/dbraw/zinc/51/14/19/457511419.db2.gz FUMWHKJKDPNPPN-ZFWWWQNUSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011626 457511425 /nfs/dbraw/zinc/51/14/25/457511425.db2.gz FUMWHKJKDPNPPN-ZFWWWQNUSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012970 457511797 /nfs/dbraw/zinc/51/17/97/457511797.db2.gz LMHWJAZNXXPLAD-ZFWWWQNUSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012970 457511801 /nfs/dbraw/zinc/51/18/01/457511801.db2.gz LMHWJAZNXXPLAD-ZFWWWQNUSA-N 2 2 346.393 3.347 10 0 EGAELP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000425370565 457523951 /nfs/dbraw/zinc/52/39/51/457523951.db2.gz OOYGRTRBALFERY-RBUKOAKNSA-N 2 2 347.528 3.093 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000433063666 457656668 /nfs/dbraw/zinc/65/66/68/457656668.db2.gz YPHUURVSMLXKBE-IEBWSBKVSA-N 2 2 328.500 3.182 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000433063666 457656674 /nfs/dbraw/zinc/65/66/74/457656674.db2.gz YPHUURVSMLXKBE-IEBWSBKVSA-N 2 2 328.500 3.182 10 0 EGAELP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370483471 457659062 /nfs/dbraw/zinc/65/90/62/457659062.db2.gz JWWGHUUXCGGGAI-FQEVSTJZSA-N 2 2 335.451 3.346 10 0 EGAELP CCC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)CC(=O)N(C)C ZINC000361286687 457679117 /nfs/dbraw/zinc/67/91/17/457679117.db2.gz ICQQHDJPLBFDKI-UHFFFAOYSA-N 2 2 344.503 3.315 10 0 EGAELP CCC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)CC(=O)N(C)C ZINC000361286687 457679120 /nfs/dbraw/zinc/67/91/20/457679120.db2.gz ICQQHDJPLBFDKI-UHFFFAOYSA-N 2 2 344.503 3.315 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000361325728 457694132 /nfs/dbraw/zinc/69/41/32/457694132.db2.gz UVRQQAINFDXPGR-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000361325728 457694134 /nfs/dbraw/zinc/69/41/34/457694134.db2.gz UVRQQAINFDXPGR-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000361373248 457710140 /nfs/dbraw/zinc/71/01/40/457710140.db2.gz BMRXJZOAWJTTAG-OAHLLOKOSA-N 2 2 338.459 3.183 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000361373248 457710143 /nfs/dbraw/zinc/71/01/43/457710143.db2.gz BMRXJZOAWJTTAG-OAHLLOKOSA-N 2 2 338.459 3.183 10 0 EGAELP COC[C@@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000361378795 457711795 /nfs/dbraw/zinc/71/17/95/457711795.db2.gz SKUKNQWOVWYHRQ-UYAOXDASSA-N 2 2 345.487 3.299 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000361380419 457712025 /nfs/dbraw/zinc/71/20/25/457712025.db2.gz XVFZKTNETVXQEA-VOIUYBSRSA-N 2 2 347.528 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000361380419 457712028 /nfs/dbraw/zinc/71/20/28/457712028.db2.gz XVFZKTNETVXQEA-VOIUYBSRSA-N 2 2 347.528 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000361397942 457718625 /nfs/dbraw/zinc/71/86/25/457718625.db2.gz ZMQQANZREOEFIT-GYCJOSAFSA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000361397942 457718629 /nfs/dbraw/zinc/71/86/29/457718629.db2.gz ZMQQANZREOEFIT-GYCJOSAFSA-N 2 2 347.528 3.358 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000361464198 457740282 /nfs/dbraw/zinc/74/02/82/457740282.db2.gz PPPVRRDVKMQKNI-FXAWDEMLSA-N 2 2 331.504 3.088 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000361464198 457740284 /nfs/dbraw/zinc/74/02/84/457740284.db2.gz PPPVRRDVKMQKNI-FXAWDEMLSA-N 2 2 331.504 3.088 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000358173260 457834542 /nfs/dbraw/zinc/83/45/42/457834542.db2.gz VJQZDDKQODQNBD-UHFFFAOYSA-N 2 2 337.467 3.402 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000358173260 457834547 /nfs/dbraw/zinc/83/45/47/457834547.db2.gz VJQZDDKQODQNBD-UHFFFAOYSA-N 2 2 337.467 3.402 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@H](C)C1 ZINC000361805572 457873047 /nfs/dbraw/zinc/87/30/47/457873047.db2.gz VSYWVZYVVGNZLB-SJORKVTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@H](C)C1 ZINC000361805572 457873055 /nfs/dbraw/zinc/87/30/55/457873055.db2.gz VSYWVZYVVGNZLB-SJORKVTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000361805572 457873062 /nfs/dbraw/zinc/87/30/62/457873062.db2.gz VSYWVZYVVGNZLB-SJORKVTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000361805572 457873071 /nfs/dbraw/zinc/87/30/71/457873071.db2.gz VSYWVZYVVGNZLB-SJORKVTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@@H](C)C1 ZINC000361805571 457873781 /nfs/dbraw/zinc/87/37/81/457873781.db2.gz VSYWVZYVVGNZLB-IRXDYDNUSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@@H](C)C1 ZINC000361805571 457873785 /nfs/dbraw/zinc/87/37/85/457873785.db2.gz VSYWVZYVVGNZLB-IRXDYDNUSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000361805571 457873789 /nfs/dbraw/zinc/87/37/89/457873789.db2.gz VSYWVZYVVGNZLB-IRXDYDNUSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000361805571 457873790 /nfs/dbraw/zinc/87/37/90/457873790.db2.gz VSYWVZYVVGNZLB-IRXDYDNUSA-N 2 2 344.503 3.098 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cn3)CC2)c[nH+]1 ZINC000371736240 458054538 /nfs/dbraw/zinc/05/45/38/458054538.db2.gz WGFZVXHVMNSHAH-UHFFFAOYSA-N 2 2 344.846 3.257 10 0 EGAELP COCC[C@@H]([NH2+]Cc1c[nH+]cn1Cc1ccccc1)c1ccco1 ZINC000445770048 458086259 /nfs/dbraw/zinc/08/62/59/458086259.db2.gz YFPQMROLSUUVOW-GOSISDBHSA-N 2 2 325.412 3.392 10 0 EGAELP O[C@@H]([C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973879 458253003 /nfs/dbraw/zinc/25/30/03/458253003.db2.gz FTPNUYMCGNQIHW-FZMZJTMJSA-N 2 2 345.390 3.069 10 0 EGAELP O[C@@H]([C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973879 458253006 /nfs/dbraw/zinc/25/30/06/458253006.db2.gz FTPNUYMCGNQIHW-FZMZJTMJSA-N 2 2 345.390 3.069 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000429550736 458343648 /nfs/dbraw/zinc/34/36/48/458343648.db2.gz YBILCQZUMRHKJV-IEBWSBKVSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000429550736 458343654 /nfs/dbraw/zinc/34/36/54/458343654.db2.gz YBILCQZUMRHKJV-IEBWSBKVSA-N 2 2 347.478 3.046 10 0 EGAELP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439617 458370935 /nfs/dbraw/zinc/37/09/35/458370935.db2.gz KMWCYKCSGDOTCF-RBUKOAKNSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439617 458370938 /nfs/dbraw/zinc/37/09/38/458370938.db2.gz KMWCYKCSGDOTCF-RBUKOAKNSA-N 2 2 333.907 3.302 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026020 458379499 /nfs/dbraw/zinc/37/94/99/458379499.db2.gz QUHKOOIJGAZTKE-ITBHCLRTSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026020 458379502 /nfs/dbraw/zinc/37/95/02/458379502.db2.gz QUHKOOIJGAZTKE-ITBHCLRTSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026020 458379506 /nfs/dbraw/zinc/37/95/06/458379506.db2.gz QUHKOOIJGAZTKE-ITBHCLRTSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026020 458379510 /nfs/dbraw/zinc/37/95/10/458379510.db2.gz QUHKOOIJGAZTKE-ITBHCLRTSA-N 3 2 339.527 3.398 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c[nH+]1 ZINC000459704547 458453000 /nfs/dbraw/zinc/45/30/00/458453000.db2.gz PTFDMIJVDRLISU-DOTOQJQBSA-N 2 2 332.469 3.247 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000437990670 458518663 /nfs/dbraw/zinc/51/86/63/458518663.db2.gz FZXUPSHATQSWPA-FPOVZHCZSA-N 2 2 336.483 3.417 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000377799636 458532476 /nfs/dbraw/zinc/53/24/76/458532476.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000377799636 458532481 /nfs/dbraw/zinc/53/24/81/458532481.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799636 458532484 /nfs/dbraw/zinc/53/24/84/458532484.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000377799636 458532487 /nfs/dbraw/zinc/53/24/87/458532487.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 3 2 336.483 3.052 10 0 EGAELP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000424199819 458582723 /nfs/dbraw/zinc/58/27/23/458582723.db2.gz QIFJQGFEHLIFPM-VQTJNVASSA-N 2 2 325.431 3.273 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424259689 458596286 /nfs/dbraw/zinc/59/62/86/458596286.db2.gz APFABIVWPDMMJU-MSOLQXFVSA-N 2 2 345.512 3.127 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424259689 458596292 /nfs/dbraw/zinc/59/62/92/458596292.db2.gz APFABIVWPDMMJU-MSOLQXFVSA-N 2 2 345.512 3.127 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233328 458686813 /nfs/dbraw/zinc/68/68/13/458686813.db2.gz IWEHCHVVYYTSLO-NSHGMRRFSA-N 2 2 345.531 3.143 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233328 458686818 /nfs/dbraw/zinc/68/68/18/458686818.db2.gz IWEHCHVVYYTSLO-NSHGMRRFSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233328 458686824 /nfs/dbraw/zinc/68/68/24/458686824.db2.gz IWEHCHVVYYTSLO-NSHGMRRFSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233328 458686832 /nfs/dbraw/zinc/68/68/32/458686832.db2.gz IWEHCHVVYYTSLO-NSHGMRRFSA-N 2 2 345.531 3.143 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218204 458719217 /nfs/dbraw/zinc/71/92/17/458719217.db2.gz VTEMVMCXLNJHLE-ZYHUDNBSSA-N 2 2 327.291 3.372 10 0 EGAELP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000494918868 458765255 /nfs/dbraw/zinc/76/52/55/458765255.db2.gz CIQITIXENREQBH-RTBURBONSA-N 2 2 343.515 3.106 10 0 EGAELP CC[NH+]1CCC(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000530582911 458794517 /nfs/dbraw/zinc/79/45/17/458794517.db2.gz NQSCFPKDAJIUKO-UHFFFAOYSA-N 2 2 340.471 3.033 10 0 EGAELP CC(C)C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258880 458872236 /nfs/dbraw/zinc/87/22/36/458872236.db2.gz MGSCXSBKMHFCNS-PZJWPPBQSA-N 2 2 330.516 3.470 10 0 EGAELP CC(C)C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258880 458872244 /nfs/dbraw/zinc/87/22/44/458872244.db2.gz MGSCXSBKMHFCNS-PZJWPPBQSA-N 2 2 330.516 3.470 10 0 EGAELP CCN(CC)C(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441369588 458930075 /nfs/dbraw/zinc/93/00/75/458930075.db2.gz FBIWIPKRWQAFMP-PKOBYXMFSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700524 458962363 /nfs/dbraw/zinc/96/23/63/458962363.db2.gz JJEJJKGPDCPNQC-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700524 458962368 /nfs/dbraw/zinc/96/23/68/458962368.db2.gz JJEJJKGPDCPNQC-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000556858277 459023498 /nfs/dbraw/zinc/02/34/98/459023498.db2.gz JTHPJSKRKPXWMB-CVEARBPZSA-N 2 2 334.504 3.407 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000556858277 459023502 /nfs/dbraw/zinc/02/35/02/459023502.db2.gz JTHPJSKRKPXWMB-CVEARBPZSA-N 2 2 334.504 3.407 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226832 459049331 /nfs/dbraw/zinc/04/93/31/459049331.db2.gz XGTMCIWFOSBULX-ATZDWAIDSA-N 2 2 335.923 3.234 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226832 459049335 /nfs/dbraw/zinc/04/93/35/459049335.db2.gz XGTMCIWFOSBULX-ATZDWAIDSA-N 2 2 335.923 3.234 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000594611973 459112167 /nfs/dbraw/zinc/11/21/67/459112167.db2.gz RKOKLLJJYUREFD-CQSZACIVSA-N 2 2 346.462 3.208 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567735328 459157599 /nfs/dbraw/zinc/15/75/99/459157599.db2.gz FSBPPEZOLWIRKE-IBGZPJMESA-N 2 2 341.430 3.021 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567735328 459157605 /nfs/dbraw/zinc/15/76/05/459157605.db2.gz FSBPPEZOLWIRKE-IBGZPJMESA-N 2 2 341.430 3.021 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146122 459185658 /nfs/dbraw/zinc/18/56/58/459185658.db2.gz VWZPZRLPZWRYLC-AZUAARDMSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146122 459185660 /nfs/dbraw/zinc/18/56/60/459185660.db2.gz VWZPZRLPZWRYLC-AZUAARDMSA-N 3 2 329.532 3.361 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559751868 459275749 /nfs/dbraw/zinc/27/57/49/459275749.db2.gz CWSDWXHOPMUIDL-MJGOQNOKSA-N 2 2 336.907 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559751868 459275757 /nfs/dbraw/zinc/27/57/57/459275757.db2.gz CWSDWXHOPMUIDL-MJGOQNOKSA-N 2 2 336.907 3.362 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561047275 459414545 /nfs/dbraw/zinc/41/45/45/459414545.db2.gz YFKWVZZDUAUARN-IUHNQTRMSA-N 2 2 339.886 3.154 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561047275 459414547 /nfs/dbraw/zinc/41/45/47/459414547.db2.gz YFKWVZZDUAUARN-IUHNQTRMSA-N 2 2 339.886 3.154 10 0 EGAELP COc1ccc([C@H](CNc2nc(C)[nH+]cc2C)[NH+]2CCCCC2)cc1 ZINC000562121691 459514343 /nfs/dbraw/zinc/51/43/43/459514343.db2.gz HMOBUXXTUOZAAJ-IBGZPJMESA-N 2 2 340.471 3.163 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCC(C)(F)F)c2cc1C ZINC000572870248 459588815 /nfs/dbraw/zinc/58/88/15/459588815.db2.gz IFJSDLFGWUMXHO-AWEZNQCLSA-N 2 2 325.403 3.039 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000592525471 459625958 /nfs/dbraw/zinc/62/59/58/459625958.db2.gz MHSUXRDWYXNZDR-HXUWFJFHSA-N 2 2 336.520 3.353 10 0 EGAELP CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1nc(C2CC2)no1 ZINC000563269238 459751463 /nfs/dbraw/zinc/75/14/63/459751463.db2.gz LNKRKYHKSNRTCA-QGZVFWFLSA-N 2 2 326.444 3.080 10 0 EGAELP Cc1[nH+]ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1Br ZINC000574579838 459836439 /nfs/dbraw/zinc/83/64/39/459836439.db2.gz JMBMJTUSPZLFDD-UHFFFAOYSA-N 2 2 343.228 3.372 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000599065856 460148578 /nfs/dbraw/zinc/14/85/78/460148578.db2.gz RZNIAFLBTNRTTB-RNIPGJKVSA-N 2 2 336.520 3.351 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000599065856 460148584 /nfs/dbraw/zinc/14/85/84/460148584.db2.gz RZNIAFLBTNRTTB-RNIPGJKVSA-N 2 2 336.520 3.351 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448849 460177717 /nfs/dbraw/zinc/17/77/17/460177717.db2.gz UMIBYYFGMMRACH-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448849 460177725 /nfs/dbraw/zinc/17/77/25/460177725.db2.gz UMIBYYFGMMRACH-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448849 460177732 /nfs/dbraw/zinc/17/77/32/460177732.db2.gz UMIBYYFGMMRACH-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448849 460177738 /nfs/dbraw/zinc/17/77/38/460177738.db2.gz UMIBYYFGMMRACH-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576754973 460205912 /nfs/dbraw/zinc/20/59/12/460205912.db2.gz AEJGOKHBBHVCTP-HNNXBMFYSA-N 2 2 327.241 3.164 10 0 EGAELP Fc1ccc(Br)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576754973 460205917 /nfs/dbraw/zinc/20/59/17/460205917.db2.gz AEJGOKHBBHVCTP-HNNXBMFYSA-N 2 2 327.241 3.164 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000623853138 460745287 /nfs/dbraw/zinc/74/52/87/460745287.db2.gz NRMGJJHLKGVEQG-NSHDSACASA-N 2 2 335.801 3.370 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629393853 460748206 /nfs/dbraw/zinc/74/82/06/460748206.db2.gz CSQMEGORQQRILA-TZMCWYRMSA-N 2 2 326.868 3.368 10 0 EGAELP c1cn([C@@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)c[nH+]1 ZINC000623936666 460786577 /nfs/dbraw/zinc/78/65/77/460786577.db2.gz FRLUXQNXKIGLNF-GOSISDBHSA-N 2 2 346.438 3.035 10 0 EGAELP COc1ncc(Br)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629523617 460794971 /nfs/dbraw/zinc/79/49/71/460794971.db2.gz IWRJEVBIQRLEGI-LSDHHAIUSA-N 2 2 348.244 3.087 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537539 460799722 /nfs/dbraw/zinc/79/97/22/460799722.db2.gz HYCYWGFQCCLWJF-RQSWOZRGSA-N 3 2 327.516 3.160 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537539 460799723 /nfs/dbraw/zinc/79/97/23/460799723.db2.gz HYCYWGFQCCLWJF-RQSWOZRGSA-N 3 2 327.516 3.160 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000629654865 460849690 /nfs/dbraw/zinc/84/96/90/460849690.db2.gz SUFWWYITNQHDLH-RBUKOAKNSA-N 2 2 346.906 3.432 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C[NH2+]1 ZINC000629660550 460854095 /nfs/dbraw/zinc/85/40/95/460854095.db2.gz VTKZKXYYUCDLNC-RDJZCZTQSA-N 2 2 339.487 3.290 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188934 460902653 /nfs/dbraw/zinc/90/26/53/460902653.db2.gz MGTAKCOYQOELEV-QFBILLFUSA-N 2 2 329.488 3.035 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188934 460902659 /nfs/dbraw/zinc/90/26/59/460902659.db2.gz MGTAKCOYQOELEV-QFBILLFUSA-N 2 2 329.488 3.035 10 0 EGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189099 460903196 /nfs/dbraw/zinc/90/31/96/460903196.db2.gz YKLZUAINOXJFHB-QUCCMNQESA-N 2 2 334.479 3.380 10 0 EGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189099 460903204 /nfs/dbraw/zinc/90/32/04/460903204.db2.gz YKLZUAINOXJFHB-QUCCMNQESA-N 2 2 334.479 3.380 10 0 EGAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189571 460904073 /nfs/dbraw/zinc/90/40/73/460904073.db2.gz SHQSFIHBNULTDO-NVXWUHKLSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189571 460904079 /nfs/dbraw/zinc/90/40/79/460904079.db2.gz SHQSFIHBNULTDO-NVXWUHKLSA-N 2 2 345.487 3.019 10 0 EGAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nc(C(=O)OC)co2)c1 ZINC000601931049 460950055 /nfs/dbraw/zinc/95/00/55/460950055.db2.gz INKCIRUUILBYEP-AWEZNQCLSA-N 2 2 345.443 3.154 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000608076379 460977416 /nfs/dbraw/zinc/97/74/16/460977416.db2.gz ZWSHDWGJUQOOPH-GOSISDBHSA-N 2 2 337.471 3.445 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000608072941 460977680 /nfs/dbraw/zinc/97/76/80/460977680.db2.gz MRLLUVRLSJGKRK-SFHVURJKSA-N 2 2 331.423 3.141 10 0 EGAELP Cc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000608094085 460985845 /nfs/dbraw/zinc/98/58/45/460985845.db2.gz BTVSQIOVEHLSCK-KRWDZBQOSA-N 2 2 333.439 3.214 10 0 EGAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257236 461147351 /nfs/dbraw/zinc/14/73/51/461147351.db2.gz BNVXFSXMAJILNW-RBUKOAKNSA-N 2 2 348.849 3.489 10 0 EGAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257236 461147360 /nfs/dbraw/zinc/14/73/60/461147360.db2.gz BNVXFSXMAJILNW-RBUKOAKNSA-N 2 2 348.849 3.489 10 0 EGAELP COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668180688 461163575 /nfs/dbraw/zinc/16/35/75/461163575.db2.gz ZYVYYZHODCMOPD-UHFFFAOYSA-N 2 2 346.434 3.323 10 0 EGAELP COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668180688 461163582 /nfs/dbraw/zinc/16/35/82/461163582.db2.gz ZYVYYZHODCMOPD-UHFFFAOYSA-N 2 2 346.434 3.323 10 0 EGAELP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662307632 461181009 /nfs/dbraw/zinc/18/10/09/461181009.db2.gz OOAIFPVYYJYVSQ-FQWCMUAHSA-N 2 2 335.451 3.423 10 0 EGAELP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662307632 461181018 /nfs/dbraw/zinc/18/10/18/461181018.db2.gz OOAIFPVYYJYVSQ-FQWCMUAHSA-N 2 2 335.451 3.423 10 0 EGAELP c1coc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655698358 461369847 /nfs/dbraw/zinc/36/98/47/461369847.db2.gz VFAJSEKLCAYOGX-UYAOXDASSA-N 2 2 326.440 3.212 10 0 EGAELP C[N@@H+]1CCCC12CCN(c1[nH+]cnc3[nH]c4cc(F)ccc4c31)CC2 ZINC000642221846 461475402 /nfs/dbraw/zinc/47/54/02/461475402.db2.gz JNMLSBJJIUIJCN-UHFFFAOYSA-N 2 2 339.418 3.315 10 0 EGAELP C[N@H+]1CCCC12CCN(c1[nH+]cnc3[nH]c4cc(F)ccc4c31)CC2 ZINC000642221846 461475407 /nfs/dbraw/zinc/47/54/07/461475407.db2.gz JNMLSBJJIUIJCN-UHFFFAOYSA-N 2 2 339.418 3.315 10 0 EGAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631030560 461483094 /nfs/dbraw/zinc/48/30/94/461483094.db2.gz VPFDZFUIPBDMOI-UHFFFAOYSA-N 2 2 334.689 3.175 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n(CC2CCC2)n1 ZINC000631056757 461509573 /nfs/dbraw/zinc/50/95/73/461509573.db2.gz RCNSTVWWYIWBFL-UHFFFAOYSA-N 2 2 330.520 3.427 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CC[C@H](C[NH+]4CCCC4)C3)n2)C1 ZINC000656127876 461609519 /nfs/dbraw/zinc/60/95/19/461609519.db2.gz GCUMPAAYFTURPY-QGZVFWFLSA-N 2 2 343.519 3.025 10 0 EGAELP C[N@@H+]1CCC[C@@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@@H]21 ZINC000656147366 461624548 /nfs/dbraw/zinc/62/45/48/461624548.db2.gz OEELVZBUTUIPFJ-SJORKVTESA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CCC[C@@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@@H]21 ZINC000656147366 461624553 /nfs/dbraw/zinc/62/45/53/461624553.db2.gz OEELVZBUTUIPFJ-SJORKVTESA-N 2 2 343.519 3.024 10 0 EGAELP Cc1[nH+]ccn1CCCN(C)c1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656149325 461625428 /nfs/dbraw/zinc/62/54/28/461625428.db2.gz KBJFXTZHCAESNT-UHFFFAOYSA-N 2 2 342.491 3.134 10 0 EGAELP C[NH+](C)CCCC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631187559 461627054 /nfs/dbraw/zinc/62/70/54/461627054.db2.gz KUYIZKIRSIRLRH-UHFFFAOYSA-N 2 2 327.476 3.394 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CCN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)C2)C1 ZINC000656191111 461640054 /nfs/dbraw/zinc/64/00/54/461640054.db2.gz CIYRJIIGCFEUEE-HXUWFJFHSA-N 2 2 343.519 3.025 10 0 EGAELP C[N@H+]1CCC[C@@]2(CCN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)C2)C1 ZINC000656191111 461640059 /nfs/dbraw/zinc/64/00/59/461640059.db2.gz CIYRJIIGCFEUEE-HXUWFJFHSA-N 2 2 343.519 3.025 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cc2n(n1)CCCC2 ZINC000647343858 461648437 /nfs/dbraw/zinc/64/84/37/461648437.db2.gz DOKNTOKWXPAZMM-HQRMLTQVSA-N 2 2 338.499 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc2n(n1)CCCC2 ZINC000647343858 461648444 /nfs/dbraw/zinc/64/84/44/461648444.db2.gz DOKNTOKWXPAZMM-HQRMLTQVSA-N 2 2 338.499 3.215 10 0 EGAELP Fc1ccc(COc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)cc1 ZINC000663498617 461673294 /nfs/dbraw/zinc/67/32/94/461673294.db2.gz RCYDTKCSECMDKH-UHFFFAOYSA-N 2 2 326.415 3.246 10 0 EGAELP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCn4nccc43)CC2)cc1 ZINC000631298465 461699720 /nfs/dbraw/zinc/69/97/20/461699720.db2.gz KSSNHUNBFPCEAJ-LJQANCHMSA-N 2 2 342.462 3.154 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480990 461729903 /nfs/dbraw/zinc/72/99/03/461729903.db2.gz MWSCPXVFWAXGTE-UKRRQHHQSA-N 2 2 340.414 3.261 10 0 EGAELP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480990 461729912 /nfs/dbraw/zinc/72/99/12/461729912.db2.gz MWSCPXVFWAXGTE-UKRRQHHQSA-N 2 2 340.414 3.261 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400155 461754097 /nfs/dbraw/zinc/75/40/97/461754097.db2.gz IKQNJJVEWFJFKZ-MRXNPFEDSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400155 461754102 /nfs/dbraw/zinc/75/41/02/461754102.db2.gz IKQNJJVEWFJFKZ-MRXNPFEDSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400155 461754109 /nfs/dbraw/zinc/75/41/09/461754109.db2.gz IKQNJJVEWFJFKZ-MRXNPFEDSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400155 461754116 /nfs/dbraw/zinc/75/41/16/461754116.db2.gz IKQNJJVEWFJFKZ-MRXNPFEDSA-N 2 2 332.410 3.142 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)[nH]1 ZINC000669694698 461768575 /nfs/dbraw/zinc/76/85/75/461768575.db2.gz ZONCBTXQZCBHBX-MRXNPFEDSA-N 2 2 340.471 3.227 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)[nH]1 ZINC000669694698 461768584 /nfs/dbraw/zinc/76/85/84/461768584.db2.gz ZONCBTXQZCBHBX-MRXNPFEDSA-N 2 2 340.471 3.227 10 0 EGAELP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614779 461773725 /nfs/dbraw/zinc/77/37/25/461773725.db2.gz JQUCJIZGSDDPCZ-WOJBJXKFSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614779 461773733 /nfs/dbraw/zinc/77/37/33/461773733.db2.gz JQUCJIZGSDDPCZ-WOJBJXKFSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614779 461773741 /nfs/dbraw/zinc/77/37/41/461773741.db2.gz JQUCJIZGSDDPCZ-WOJBJXKFSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614779 461773747 /nfs/dbraw/zinc/77/37/47/461773747.db2.gz JQUCJIZGSDDPCZ-WOJBJXKFSA-N 2 2 328.500 3.156 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)n2c1CCCC2 ZINC000660479073 461802831 /nfs/dbraw/zinc/80/28/31/461802831.db2.gz DVMGWWWHPKNWFE-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)n2c1CCCC2 ZINC000660479073 461802838 /nfs/dbraw/zinc/80/28/38/461802838.db2.gz DVMGWWWHPKNWFE-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000660481582 461804264 /nfs/dbraw/zinc/80/42/64/461804264.db2.gz RQJBQVRYPXWIOG-CYBMUJFWSA-N 2 2 332.473 3.064 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000660481582 461804270 /nfs/dbraw/zinc/80/42/70/461804270.db2.gz RQJBQVRYPXWIOG-CYBMUJFWSA-N 2 2 332.473 3.064 10 0 EGAELP COc1cc2cc[nH+]c(N(C)CC3([NH+](C)C)CCC3)c2cc1OC ZINC000663834368 461830066 /nfs/dbraw/zinc/83/00/66/461830066.db2.gz CGWNQNJDLIRLCN-UHFFFAOYSA-N 2 2 329.444 3.173 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000660534992 461837951 /nfs/dbraw/zinc/83/79/51/461837951.db2.gz ISKJMKBOTDXFGN-APWZRJJASA-N 2 2 340.458 3.249 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000660534992 461837957 /nfs/dbraw/zinc/83/79/57/461837957.db2.gz ISKJMKBOTDXFGN-APWZRJJASA-N 2 2 340.458 3.249 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899568 461874915 /nfs/dbraw/zinc/87/49/15/461874915.db2.gz POJSXWKAWNPYAI-ZCNNSNEGSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899568 461874921 /nfs/dbraw/zinc/87/49/21/461874921.db2.gz POJSXWKAWNPYAI-ZCNNSNEGSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903546 461878961 /nfs/dbraw/zinc/87/89/61/461878961.db2.gz LOENCLJLPULJCR-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903546 461878968 /nfs/dbraw/zinc/87/89/68/461878968.db2.gz LOENCLJLPULJCR-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP CC[N@@H+]1CC[C@H]2OCC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660639455 461896142 /nfs/dbraw/zinc/89/61/42/461896142.db2.gz GLBKBJQHTAIUME-AYWYSENESA-N 2 2 328.500 3.365 10 0 EGAELP CC[N@H+]1CC[C@H]2OCC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660639455 461896147 /nfs/dbraw/zinc/89/61/47/461896147.db2.gz GLBKBJQHTAIUME-AYWYSENESA-N 2 2 328.500 3.365 10 0 EGAELP CC[NH+]1CC[C@H]2OCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660639455 461896150 /nfs/dbraw/zinc/89/61/50/461896150.db2.gz GLBKBJQHTAIUME-AYWYSENESA-N 2 2 328.500 3.365 10 0 EGAELP CC[NH+]1CC[C@H]2OCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660639455 461896157 /nfs/dbraw/zinc/89/61/57/461896157.db2.gz GLBKBJQHTAIUME-AYWYSENESA-N 2 2 328.500 3.365 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788695 461896981 /nfs/dbraw/zinc/89/69/81/461896981.db2.gz DTSAXOBDWAVOLZ-NHCUHLMSSA-N 2 2 332.451 3.108 10 0 EGAELP OCC1([C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)CC=CC1 ZINC000648069156 461966562 /nfs/dbraw/zinc/96/65/62/461966562.db2.gz RTZLKSRVWYREBP-FQEVSTJZSA-N 2 2 333.435 3.494 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000657296036 462025678 /nfs/dbraw/zinc/02/56/78/462025678.db2.gz ONZGXXJESOCZJJ-UHFFFAOYSA-N 2 2 340.393 3.051 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000657296036 462025686 /nfs/dbraw/zinc/02/56/86/462025686.db2.gz ONZGXXJESOCZJJ-UHFFFAOYSA-N 2 2 340.393 3.051 10 0 EGAELP c1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)n(-c2cc[nH+]cc2)n1 ZINC000657315942 462039363 /nfs/dbraw/zinc/03/93/63/462039363.db2.gz VDOGZHZKBYIRPK-UHFFFAOYSA-N 2 2 349.438 3.274 10 0 EGAELP CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357378 462068089 /nfs/dbraw/zinc/06/80/89/462068089.db2.gz NAPRXCUSTVXRHE-QGZVFWFLSA-N 2 2 341.503 3.258 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000644832745 462096193 /nfs/dbraw/zinc/09/61/93/462096193.db2.gz SZVXYZPLETVPTG-KRWDZBQOSA-N 2 2 349.438 3.186 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000644832745 462096200 /nfs/dbraw/zinc/09/62/00/462096200.db2.gz SZVXYZPLETVPTG-KRWDZBQOSA-N 2 2 349.438 3.186 10 0 EGAELP O=C(c1ccccc1)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667492604 462111583 /nfs/dbraw/zinc/11/15/83/462111583.db2.gz OMFDBCKVWWUPKP-UHFFFAOYSA-N 2 2 346.434 3.362 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc(Cl)c1OC ZINC000657523419 462165206 /nfs/dbraw/zinc/16/52/06/462165206.db2.gz HZNKQWPEGXKIOH-ZDUSSCGKSA-N 2 2 326.868 3.320 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc(Cl)c1OC ZINC000657523419 462165214 /nfs/dbraw/zinc/16/52/14/462165214.db2.gz HZNKQWPEGXKIOH-ZDUSSCGKSA-N 2 2 326.868 3.320 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523032 462165603 /nfs/dbraw/zinc/16/56/03/462165603.db2.gz CNAKABWSQLIAAA-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523032 462165609 /nfs/dbraw/zinc/16/56/09/462165609.db2.gz CNAKABWSQLIAAA-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc(F)cc2)n1 ZINC000657526901 462166812 /nfs/dbraw/zinc/16/68/12/462166812.db2.gz PFHNKPAGAGDBLH-KRWDZBQOSA-N 2 2 330.451 3.189 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2ccc(F)cc2)n1 ZINC000657526901 462166818 /nfs/dbraw/zinc/16/68/18/462166818.db2.gz PFHNKPAGAGDBLH-KRWDZBQOSA-N 2 2 330.451 3.189 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)COc3c(F)cccc3F)n2c1 ZINC000657629082 462211232 /nfs/dbraw/zinc/21/12/32/462211232.db2.gz ZLSOVZSUKRBODA-ZDUSSCGKSA-N 2 2 331.366 3.478 10 0 EGAELP c1cn(-c2csc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c2)c[nH+]1 ZINC000657813662 462280272 /nfs/dbraw/zinc/28/02/72/462280272.db2.gz WRGUYFGEOZUWOJ-UHFFFAOYSA-N 3 2 330.501 3.145 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCn4nccc43)C2)CC1 ZINC000657998713 462342460 /nfs/dbraw/zinc/34/24/60/462342460.db2.gz OHGHCSFEWJHPLH-YMAMQOFZSA-N 2 2 342.409 3.113 10 0 EGAELP COC1([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000657998748 462342643 /nfs/dbraw/zinc/34/26/43/462342643.db2.gz ORKSDXXIHYTIIB-GRTSSRMGSA-N 2 2 334.426 3.339 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000658053975 462359643 /nfs/dbraw/zinc/35/96/43/462359643.db2.gz CIVNZYSROVUVAF-INIZCTEOSA-N 2 2 337.458 3.396 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000658053975 462359647 /nfs/dbraw/zinc/35/96/47/462359647.db2.gz CIVNZYSROVUVAF-INIZCTEOSA-N 2 2 337.458 3.396 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000665232252 462361011 /nfs/dbraw/zinc/36/10/11/462361011.db2.gz JITIJGKSXZXKDJ-YSGRDPCXSA-N 2 2 325.456 3.277 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658057730 462361064 /nfs/dbraw/zinc/36/10/64/462361064.db2.gz BGJINHYXUZJFIN-MOPGFXCFSA-N 2 2 341.503 3.180 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658057730 462361067 /nfs/dbraw/zinc/36/10/67/462361067.db2.gz BGJINHYXUZJFIN-MOPGFXCFSA-N 2 2 341.503 3.180 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000665250420 462368915 /nfs/dbraw/zinc/36/89/15/462368915.db2.gz QGQSXPXCOMWINU-KFKAGJAMSA-N 2 2 338.451 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000651928333 462382359 /nfs/dbraw/zinc/38/23/59/462382359.db2.gz DAAZWMKXCHCPNL-HBGVWJBISA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000651928333 462382365 /nfs/dbraw/zinc/38/23/65/462382365.db2.gz DAAZWMKXCHCPNL-HBGVWJBISA-N 2 2 328.500 3.444 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Cl)c1 ZINC000665281085 462382940 /nfs/dbraw/zinc/38/29/40/462382940.db2.gz UBRLINDFEBZSNS-MLGOLLRUSA-N 2 2 335.883 3.253 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1F ZINC000658226499 462434855 /nfs/dbraw/zinc/43/48/55/462434855.db2.gz CASVEKCOBYFAAG-PBHICJAKSA-N 2 2 335.467 3.362 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658297048 462462948 /nfs/dbraw/zinc/46/29/48/462462948.db2.gz XWKMZEYYHLLZLA-FCXXMXSZSA-N 2 2 344.499 3.030 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203259 462470759 /nfs/dbraw/zinc/47/07/59/462470759.db2.gz GLOXOKGRGGAHBX-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203259 462470762 /nfs/dbraw/zinc/47/07/62/462470762.db2.gz GLOXOKGRGGAHBX-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000652222588 462477706 /nfs/dbraw/zinc/47/77/06/462477706.db2.gz SDCCRWPHNNIKCE-LJQANCHMSA-N 2 2 332.467 3.216 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000652222588 462477708 /nfs/dbraw/zinc/47/77/08/462477708.db2.gz SDCCRWPHNNIKCE-LJQANCHMSA-N 2 2 332.467 3.216 10 0 EGAELP CCC[N@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000174965274 527848520 /nfs/dbraw/zinc/84/85/20/527848520.db2.gz KVADOBCYJGEZGU-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000174965274 527848527 /nfs/dbraw/zinc/84/85/27/527848527.db2.gz KVADOBCYJGEZGU-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464484 534948837 /nfs/dbraw/zinc/94/88/37/534948837.db2.gz QJDMFSTWPABCEC-HNAYVOBHSA-N 2 2 328.435 3.027 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464484 534948842 /nfs/dbraw/zinc/94/88/42/534948842.db2.gz QJDMFSTWPABCEC-HNAYVOBHSA-N 2 2 328.435 3.027 10 0 EGAELP CCC(CC)[C@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)[NH+](C)C ZINC000350728847 535140552 /nfs/dbraw/zinc/14/05/52/535140552.db2.gz KIUQDCCZEZJTKO-KRWDZBQOSA-N 2 2 327.476 3.047 10 0 EGAELP c1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000152543735 546872153 /nfs/dbraw/zinc/87/21/53/546872153.db2.gz DRPGGFPSRZNVEF-SFHVURJKSA-N 2 2 336.483 3.167 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000156528162 546912353 /nfs/dbraw/zinc/91/23/53/546912353.db2.gz VQLDYTJKBGXQQM-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000156528162 546912354 /nfs/dbraw/zinc/91/23/54/546912354.db2.gz VQLDYTJKBGXQQM-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)c[nH+]1 ZINC000177101548 547023318 /nfs/dbraw/zinc/02/33/18/547023318.db2.gz SDHKBKYSYXYFBM-HNNXBMFYSA-N 2 2 325.441 3.066 10 0 EGAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2csc(-c3ccccn3)n2)c[nH+]1 ZINC000177101548 547023319 /nfs/dbraw/zinc/02/33/19/547023319.db2.gz SDHKBKYSYXYFBM-HNNXBMFYSA-N 2 2 325.441 3.066 10 0 EGAELP COc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398085564 547835946 /nfs/dbraw/zinc/83/59/46/547835946.db2.gz IAANCDKKLPYYJV-PBHICJAKSA-N 2 2 331.485 3.152 10 0 EGAELP COc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398085564 547835948 /nfs/dbraw/zinc/83/59/48/547835948.db2.gz IAANCDKKLPYYJV-PBHICJAKSA-N 2 2 331.485 3.152 10 0 EGAELP CCCn1c(C)cc(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000674371915 548740614 /nfs/dbraw/zinc/74/06/14/548740614.db2.gz CEQYVZBFTHODGM-UHFFFAOYSA-N 2 2 328.460 3.300 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744632 548973010 /nfs/dbraw/zinc/97/30/10/548973010.db2.gz QPVZYAAVLQDEHP-LEWJYISDSA-N 2 2 335.495 3.377 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744632 548973014 /nfs/dbraw/zinc/97/30/14/548973014.db2.gz QPVZYAAVLQDEHP-LEWJYISDSA-N 2 2 335.495 3.377 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675765522 548976504 /nfs/dbraw/zinc/97/65/04/548976504.db2.gz JHGXZTSCDPYKPO-WCQYABFASA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675765522 548976508 /nfs/dbraw/zinc/97/65/08/548976508.db2.gz JHGXZTSCDPYKPO-WCQYABFASA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921547 549004796 /nfs/dbraw/zinc/00/47/96/549004796.db2.gz YRISKKWZEPEUFP-LPHOPBHVSA-N 3 2 326.488 3.024 10 0 EGAELP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)c[nH+]1 ZINC000678235764 549437100 /nfs/dbraw/zinc/43/71/00/549437100.db2.gz PGXTVTGEYDAUNG-CQSZACIVSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)c[nH+]1 ZINC000678235764 549437103 /nfs/dbraw/zinc/43/71/03/549437103.db2.gz PGXTVTGEYDAUNG-CQSZACIVSA-N 2 2 325.441 3.239 10 0 EGAELP Cc1ccc2ncc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)n2c1 ZINC000678935751 549598703 /nfs/dbraw/zinc/59/87/03/549598703.db2.gz IJTBCFXSLKQZOG-IBGZPJMESA-N 2 2 345.450 3.450 10 0 EGAELP Cc1cc(C)cc(C[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000683523892 550239292 /nfs/dbraw/zinc/23/92/92/550239292.db2.gz CQWYARBNYOMVLM-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000683523892 550239294 /nfs/dbraw/zinc/23/92/94/550239294.db2.gz CQWYARBNYOMVLM-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000683523892 550239297 /nfs/dbraw/zinc/23/92/97/550239297.db2.gz CQWYARBNYOMVLM-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000683523892 550239299 /nfs/dbraw/zinc/23/92/99/550239299.db2.gz CQWYARBNYOMVLM-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000684380028 550321801 /nfs/dbraw/zinc/32/18/01/550321801.db2.gz XPYVDOZJRPACCK-DLBZAZTESA-N 2 2 326.550 3.285 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000684411910 550326673 /nfs/dbraw/zinc/32/66/73/550326673.db2.gz BELHOYXBKRGNKR-SLTXQBBLSA-N 2 2 334.426 3.339 10 0 EGAELP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000684776065 550367820 /nfs/dbraw/zinc/36/78/20/550367820.db2.gz CACIEDMMKVYZHX-KRWDZBQOSA-N 2 2 341.459 3.253 10 0 EGAELP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000684776065 550367822 /nfs/dbraw/zinc/36/78/22/550367822.db2.gz CACIEDMMKVYZHX-KRWDZBQOSA-N 2 2 341.459 3.253 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000685448923 550417770 /nfs/dbraw/zinc/41/77/70/550417770.db2.gz IJDZYGRSVKOJEX-BWAGFHJFSA-N 2 2 338.495 3.090 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000685448923 550417771 /nfs/dbraw/zinc/41/77/71/550417771.db2.gz IJDZYGRSVKOJEX-BWAGFHJFSA-N 2 2 338.495 3.090 10 0 EGAELP O=c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2cc3c(cc2o1)CCC3 ZINC000729919828 574895570 /nfs/dbraw/zinc/89/55/70/574895570.db2.gz FOCMALJJCSMXNG-SFHVURJKSA-N 2 2 349.434 3.315 10 0 EGAELP O=c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2cc3c(cc2o1)CCC3 ZINC000729919828 574895572 /nfs/dbraw/zinc/89/55/72/574895572.db2.gz FOCMALJJCSMXNG-SFHVURJKSA-N 2 2 349.434 3.315 10 0 EGAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740810 576179608 /nfs/dbraw/zinc/17/96/08/576179608.db2.gz ATHXGSYXHOMIDY-PXNSSMCTSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740810 576179611 /nfs/dbraw/zinc/17/96/11/576179611.db2.gz ATHXGSYXHOMIDY-PXNSSMCTSA-N 2 2 348.556 3.135 10 0 EGAELP CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391447 576778356 /nfs/dbraw/zinc/77/83/56/576778356.db2.gz IQNOOODVZNFBES-HNNXBMFYSA-N 2 2 334.423 3.083 10 0 EGAELP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCCOC1 ZINC000872039417 1296689536 /nfs/dbraw/zinc/68/95/36/1296689536.db2.gz SGQILOPQAXZSAU-FHWLQOOXSA-N 2 2 327.472 3.499 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCOC4(CCCC4)C3)[nH+]c2)C1 ZINC000872058237 1296705566 /nfs/dbraw/zinc/70/55/66/1296705566.db2.gz PIDAILYNPOTXEG-SJLPKXTDSA-N 2 2 344.503 3.126 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCOC4(CCCC4)C3)[nH+]c2)C1 ZINC000872058236 1296705820 /nfs/dbraw/zinc/70/58/20/1296705820.db2.gz PIDAILYNPOTXEG-FUHWJXTLSA-N 2 2 344.503 3.126 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872151968 1296771008 /nfs/dbraw/zinc/77/10/08/1296771008.db2.gz ODEJQXNNFFAVQH-TZMCWYRMSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872151968 1296771022 /nfs/dbraw/zinc/77/10/22/1296771022.db2.gz ODEJQXNNFFAVQH-TZMCWYRMSA-N 2 2 343.780 3.457 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150683 1296771053 /nfs/dbraw/zinc/77/10/53/1296771053.db2.gz ZMUQOEYXYQRKTC-ZIAGYGMSSA-N 2 2 329.410 3.336 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150683 1296771062 /nfs/dbraw/zinc/77/10/62/1296771062.db2.gz ZMUQOEYXYQRKTC-ZIAGYGMSSA-N 2 2 329.410 3.336 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]C2(CCOCc3ccccc3)CC2)s1 ZINC000352757467 1297436602 /nfs/dbraw/zinc/43/66/02/1297436602.db2.gz FIBIUMQLJPRVKR-UHFFFAOYSA-N 2 2 345.512 3.434 10 0 EGAELP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390521421 1297626483 /nfs/dbraw/zinc/62/64/83/1297626483.db2.gz GPPBKAANGVRHIV-AABGKKOBSA-N 2 2 344.499 3.363 10 0 EGAELP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390521421 1297626491 /nfs/dbraw/zinc/62/64/91/1297626491.db2.gz GPPBKAANGVRHIV-AABGKKOBSA-N 2 2 344.499 3.363 10 0 EGAELP c1ccc(C[NH+]2CC(C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000716272749 1298296982 /nfs/dbraw/zinc/29/69/82/1298296982.db2.gz UKWYPLPCUDYMRB-UHFFFAOYSA-N 2 2 335.495 3.377 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3nccn3C3CC3)C2)c1 ZINC000892737635 1305528793 /nfs/dbraw/zinc/52/87/93/1305528793.db2.gz GRSHMGLHYRKAFA-HNNXBMFYSA-N 2 2 330.501 3.281 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3nccn3C3CC3)C2)c1 ZINC000892737635 1305528799 /nfs/dbraw/zinc/52/87/99/1305528799.db2.gz GRSHMGLHYRKAFA-HNNXBMFYSA-N 2 2 330.501 3.281 10 0 EGAELP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000893028250 1305667903 /nfs/dbraw/zinc/66/79/03/1305667903.db2.gz ZSUQHEGBCXJSBD-APWZRJJASA-N 2 2 340.471 3.207 10 0 EGAELP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000893028252 1305668140 /nfs/dbraw/zinc/66/81/40/1305668140.db2.gz ZSUQHEGBCXJSBD-QFBILLFUSA-N 2 2 340.471 3.207 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046304 1306189634 /nfs/dbraw/zinc/18/96/34/1306189634.db2.gz VJXXRCCJOYCSAZ-GDBMZVCRSA-N 2 2 335.492 3.229 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046304 1306189639 /nfs/dbraw/zinc/18/96/39/1306189639.db2.gz VJXXRCCJOYCSAZ-GDBMZVCRSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046304 1306189640 /nfs/dbraw/zinc/18/96/40/1306189640.db2.gz VJXXRCCJOYCSAZ-GDBMZVCRSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@H]1C ZINC000894046304 1306189646 /nfs/dbraw/zinc/18/96/46/1306189646.db2.gz VJXXRCCJOYCSAZ-GDBMZVCRSA-N 2 2 335.492 3.229 10 0 EGAELP Cc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)ccn1 ZINC000894872681 1309109290 /nfs/dbraw/zinc/10/92/90/1309109290.db2.gz BQQGFNYUKMYVNQ-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP CCc1nn(C)c(Cl)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110452 1309194929 /nfs/dbraw/zinc/19/49/29/1309194929.db2.gz MCNDHHWAXSZMIS-HDJSIYSDSA-N 2 2 347.894 3.307 10 0 EGAELP c1cn(CCC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c[nH+]1 ZINC000858028651 1328665130 /nfs/dbraw/zinc/66/51/30/1328665130.db2.gz MOLZZGZXJABCNI-SFHVURJKSA-N 2 2 326.444 3.089 10 0 EGAELP c1cn(CCC[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c[nH+]1 ZINC000858028651 1328665133 /nfs/dbraw/zinc/66/51/33/1328665133.db2.gz MOLZZGZXJABCNI-SFHVURJKSA-N 2 2 326.444 3.089 10 0 EGAELP C[NH+](C)Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1C(F)(F)F ZINC000899672058 1317129175 /nfs/dbraw/zinc/12/91/75/1317129175.db2.gz OKNKNRVIZMNUGY-UHFFFAOYSA-N 2 2 340.349 3.061 10 0 EGAELP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061157 1328775495 /nfs/dbraw/zinc/77/54/95/1328775495.db2.gz ONSHHHZXYQYJMB-MDYRTPRTSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061157 1328775497 /nfs/dbraw/zinc/77/54/97/1328775497.db2.gz ONSHHHZXYQYJMB-MDYRTPRTSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061157 1328775499 /nfs/dbraw/zinc/77/54/99/1328775499.db2.gz ONSHHHZXYQYJMB-MDYRTPRTSA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061157 1328775501 /nfs/dbraw/zinc/77/55/01/1328775501.db2.gz ONSHHHZXYQYJMB-MDYRTPRTSA-N 2 2 342.483 3.160 10 0 EGAELP COc1ccc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000924796502 1323165539 /nfs/dbraw/zinc/16/55/39/1323165539.db2.gz WMYTWUSJQRLRFH-QZTJIDSGSA-N 2 2 332.488 3.243 10 0 EGAELP COc1ccc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000924796502 1323165541 /nfs/dbraw/zinc/16/55/41/1323165541.db2.gz WMYTWUSJQRLRFH-QZTJIDSGSA-N 2 2 332.488 3.243 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925449512 1325153760 /nfs/dbraw/zinc/15/37/60/1325153760.db2.gz JVDFQBDWXHSSMU-MSOLQXFVSA-N 2 2 331.460 3.014 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925449512 1325153762 /nfs/dbraw/zinc/15/37/62/1325153762.db2.gz JVDFQBDWXHSSMU-MSOLQXFVSA-N 2 2 331.460 3.014 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518211 1325186497 /nfs/dbraw/zinc/18/64/97/1325186497.db2.gz QEHFGABXSUFSOB-FUHWJXTLSA-N 3 2 344.547 3.217 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925592615 1325225152 /nfs/dbraw/zinc/22/51/52/1325225152.db2.gz XMCFZWVRTJEHRY-OZOXKJRCSA-N 2 2 343.515 3.402 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC(C)C ZINC000925644173 1325244620 /nfs/dbraw/zinc/24/46/20/1325244620.db2.gz YTAJKGAMXVUAQT-OALUTQOASA-N 2 2 332.488 3.426 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925718407 1325268060 /nfs/dbraw/zinc/26/80/60/1325268060.db2.gz IICHQPZMWDXZCC-DQLDELGASA-N 2 2 349.478 3.114 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777325 1325297683 /nfs/dbraw/zinc/29/76/83/1325297683.db2.gz DFCQJNAWXZBIDZ-NEPJUHHUSA-N 2 2 334.357 3.492 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777327 1325297936 /nfs/dbraw/zinc/29/79/36/1325297936.db2.gz DFCQJNAWXZBIDZ-NWDGAFQWSA-N 2 2 334.357 3.492 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286625 1325504245 /nfs/dbraw/zinc/50/42/45/1325504245.db2.gz IQOSNMMHUPSEAR-RHSMWYFYSA-N 2 2 337.895 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286625 1325504250 /nfs/dbraw/zinc/50/42/50/1325504250.db2.gz IQOSNMMHUPSEAR-RHSMWYFYSA-N 2 2 337.895 3.203 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)C[NH+](C)C ZINC000926961646 1327798757 /nfs/dbraw/zinc/79/87/57/1327798757.db2.gz JTYDIMRDRXYRSX-TZMCWYRMSA-N 2 2 327.538 3.366 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCCCO1 ZINC000926961791 1327799027 /nfs/dbraw/zinc/79/90/27/1327799027.db2.gz YHPDWMMFSYSNIA-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCCCO1 ZINC000926961791 1327799034 /nfs/dbraw/zinc/79/90/34/1327799034.db2.gz YHPDWMMFSYSNIA-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927101472 1327862383 /nfs/dbraw/zinc/86/23/83/1327862383.db2.gz DEXXMVRVKIWBEI-VQIMIIECSA-N 2 2 341.499 3.332 10 0 EGAELP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927101472 1327862393 /nfs/dbraw/zinc/86/23/93/1327862393.db2.gz DEXXMVRVKIWBEI-VQIMIIECSA-N 2 2 341.499 3.332 10 0 EGAELP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103909 1327864586 /nfs/dbraw/zinc/86/45/86/1327864586.db2.gz GUQCYJICRBKHOC-CRAIPNDOSA-N 2 2 334.529 3.182 10 0 EGAELP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927103909 1327864589 /nfs/dbraw/zinc/86/45/89/1327864589.db2.gz GUQCYJICRBKHOC-CRAIPNDOSA-N 2 2 334.529 3.182 10 0 EGAELP Cc1c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccnc1F ZINC000862291841 1329474036 /nfs/dbraw/zinc/47/40/36/1329474036.db2.gz UMXIKSLTCQHURU-OAHLLOKOSA-N 2 2 328.435 3.239 10 0 EGAELP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1Br ZINC000865573233 1329715024 /nfs/dbraw/zinc/71/50/24/1329715024.db2.gz DFSURJFJUSANQM-CYBMUJFWSA-N 2 2 334.261 3.436 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866237222 1330083077 /nfs/dbraw/zinc/08/30/77/1330083077.db2.gz IEEOCPMOLXPNCP-ICSRJNTNSA-N 2 2 344.430 3.188 10 0 EGAELP C[C@H](CCc1cccnc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000866239799 1330083554 /nfs/dbraw/zinc/08/35/54/1330083554.db2.gz VDMDHYPTCMEHNK-GOSISDBHSA-N 2 2 339.483 3.025 10 0 EGAELP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702952 1330142228 /nfs/dbraw/zinc/14/22/28/1330142228.db2.gz FIVYRKKZHVFBNZ-DJJJIMSYSA-N 2 2 328.460 3.093 10 0 EGAELP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702952 1330142229 /nfs/dbraw/zinc/14/22/29/1330142229.db2.gz FIVYRKKZHVFBNZ-DJJJIMSYSA-N 2 2 328.460 3.093 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1C ZINC000866705664 1330143023 /nfs/dbraw/zinc/14/30/23/1330143023.db2.gz GCRQBVFUABROMG-SFHVURJKSA-N 2 2 337.533 3.309 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1C ZINC000866705664 1330143025 /nfs/dbraw/zinc/14/30/25/1330143025.db2.gz GCRQBVFUABROMG-SFHVURJKSA-N 2 2 337.533 3.309 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262485 1387319296 /nfs/dbraw/zinc/31/92/96/1387319296.db2.gz OEHKULKBOCUPPV-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001323262485 1387319299 /nfs/dbraw/zinc/31/92/99/1387319299.db2.gz OEHKULKBOCUPPV-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302483 1387328447 /nfs/dbraw/zinc/32/84/47/1387328447.db2.gz OLFZXSYDMGSPKU-WOJBJXKFSA-N 2 2 345.531 3.114 10 0 EGAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302483 1387328451 /nfs/dbraw/zinc/32/84/51/1387328451.db2.gz OLFZXSYDMGSPKU-WOJBJXKFSA-N 2 2 345.531 3.114 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001323945318 1387498641 /nfs/dbraw/zinc/49/86/41/1387498641.db2.gz ASPYVAZNDXODTR-GOSISDBHSA-N 2 2 346.519 3.049 10 0 EGAELP CC1([NH+]2CCCCC2)CC[NH+](CCOc2ccc3c(c2)OCO3)CC1 ZINC001197582390 1368844458 /nfs/dbraw/zinc/84/44/58/1368844458.db2.gz PEPBQHOVUZGMLM-UHFFFAOYSA-N 2 2 346.471 3.135 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC001197892496 1368920365 /nfs/dbraw/zinc/92/03/65/1368920365.db2.gz XQZASXJSSBZGGX-UHFFFAOYSA-N 2 2 330.472 3.232 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430302 1387971091 /nfs/dbraw/zinc/97/10/91/1387971091.db2.gz XIDPBKQSTRNSPX-HZPDHXFCSA-N 2 2 342.487 3.211 10 0 EGAELP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001198790600 1369115607 /nfs/dbraw/zinc/11/56/07/1369115607.db2.gz JBJWAUJTBLCXJM-KRWDZBQOSA-N 2 2 329.492 3.331 10 0 EGAELP Cc1cc(C)n(CC[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001198790600 1369115610 /nfs/dbraw/zinc/11/56/10/1369115610.db2.gz JBJWAUJTBLCXJM-KRWDZBQOSA-N 2 2 329.492 3.331 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001266237874 1377241419 /nfs/dbraw/zinc/24/14/19/1377241419.db2.gz FIHHQHKXVMDQAH-SFHVURJKSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001266237874 1377241421 /nfs/dbraw/zinc/24/14/21/1377241421.db2.gz FIHHQHKXVMDQAH-SFHVURJKSA-N 2 2 346.519 3.283 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855895 1377396612 /nfs/dbraw/zinc/39/66/12/1377396612.db2.gz HOMQVGGELTVYGE-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855895 1377396616 /nfs/dbraw/zinc/39/66/16/1377396616.db2.gz HOMQVGGELTVYGE-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001277883060 1378248920 /nfs/dbraw/zinc/24/89/20/1378248920.db2.gz AHCVXEJLIQLMQI-KRWDZBQOSA-N 2 2 347.503 3.040 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001282666877 1378538027 /nfs/dbraw/zinc/53/80/27/1378538027.db2.gz UAYXWSUDCRQXHF-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001282666877 1378538028 /nfs/dbraw/zinc/53/80/28/1378538028.db2.gz UAYXWSUDCRQXHF-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001283268449 1378777517 /nfs/dbraw/zinc/77/75/17/1378777517.db2.gz KWQSUICNKWCVEE-HOTGVXAUSA-N 2 2 342.487 3.205 10 0 EGAELP CCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332166 1378815528 /nfs/dbraw/zinc/81/55/28/1378815528.db2.gz RLRRBSDSUMIHKY-QZTJIDSGSA-N 2 2 346.519 3.027 10 0 EGAELP CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332166 1378815531 /nfs/dbraw/zinc/81/55/31/1378815531.db2.gz RLRRBSDSUMIHKY-QZTJIDSGSA-N 2 2 346.519 3.027 10 0 EGAELP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001283432863 1378923399 /nfs/dbraw/zinc/92/33/99/1378923399.db2.gz AJWMVOKERFBQKQ-KZNAEPCWSA-N 2 2 340.471 3.149 10 0 EGAELP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001283432863 1378923400 /nfs/dbraw/zinc/92/34/00/1378923400.db2.gz AJWMVOKERFBQKQ-KZNAEPCWSA-N 2 2 340.471 3.149 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001284103046 1379475151 /nfs/dbraw/zinc/47/51/51/1379475151.db2.gz RMTMPEWZVIBVEQ-OKZBNKHCSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001284599061 1379999755 /nfs/dbraw/zinc/99/97/55/1379999755.db2.gz RRZYHBKYSFIRDM-SJORKVTESA-N 2 2 336.524 3.247 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001328733251 1388830732 /nfs/dbraw/zinc/83/07/32/1388830732.db2.gz NBYXLHRKHLLIOT-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001328733251 1388830735 /nfs/dbraw/zinc/83/07/35/1388830735.db2.gz NBYXLHRKHLLIOT-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001328733250 1388830985 /nfs/dbraw/zinc/83/09/85/1388830985.db2.gz NBYXLHRKHLLIOT-GOSISDBHSA-N 2 2 348.535 3.286 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001328733250 1388830990 /nfs/dbraw/zinc/83/09/90/1388830990.db2.gz NBYXLHRKHLLIOT-GOSISDBHSA-N 2 2 348.535 3.286 10 0 EGAELP CC(C)OC(=O)CC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009965 1384074440 /nfs/dbraw/zinc/07/44/40/1384074440.db2.gz WGLPSMBLRFHTAF-SFTDATJTSA-N 2 2 344.499 3.172 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316785971 1384580528 /nfs/dbraw/zinc/58/05/28/1384580528.db2.gz HAOMWJRBDFPOFI-NEWSRXKRSA-N 2 2 348.535 3.486 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316785971 1384580530 /nfs/dbraw/zinc/58/05/30/1384580530.db2.gz HAOMWJRBDFPOFI-NEWSRXKRSA-N 2 2 348.535 3.486 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001316810853 1384607002 /nfs/dbraw/zinc/60/70/02/1384607002.db2.gz JQICKQLQHDYFDA-LXXRFIIISA-N 2 2 346.519 3.224 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001316810853 1384607006 /nfs/dbraw/zinc/60/70/06/1384607006.db2.gz JQICKQLQHDYFDA-LXXRFIIISA-N 2 2 346.519 3.224 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329030421 1388937756 /nfs/dbraw/zinc/93/77/56/1388937756.db2.gz AQTZDWPONSASKW-ZMJQMOPZSA-N 2 2 342.487 3.486 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001329050233 1388945483 /nfs/dbraw/zinc/94/54/83/1388945483.db2.gz SQVXHPPWPQSRNN-HOTGVXAUSA-N 2 2 342.487 3.149 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001329050233 1388945487 /nfs/dbraw/zinc/94/54/87/1388945487.db2.gz SQVXHPPWPQSRNN-HOTGVXAUSA-N 2 2 342.487 3.149 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@@H+](C)CCC(C)C)C2)c[nH+]1 ZINC001317042631 1384816308 /nfs/dbraw/zinc/81/63/08/1384816308.db2.gz FZHZKUFVXVKLKJ-SFHVURJKSA-N 2 2 348.535 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@H+](C)CCC(C)C)C2)c[nH+]1 ZINC001317042631 1384816309 /nfs/dbraw/zinc/81/63/09/1384816309.db2.gz FZHZKUFVXVKLKJ-SFHVURJKSA-N 2 2 348.535 3.143 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139218 1384905001 /nfs/dbraw/zinc/90/50/01/1384905001.db2.gz HSTNZCWATLRVKI-IRXDYDNUSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139218 1384905003 /nfs/dbraw/zinc/90/50/03/1384905003.db2.gz HSTNZCWATLRVKI-IRXDYDNUSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139218 1384905007 /nfs/dbraw/zinc/90/50/07/1384905007.db2.gz HSTNZCWATLRVKI-IRXDYDNUSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139218 1384905011 /nfs/dbraw/zinc/90/50/11/1384905011.db2.gz HSTNZCWATLRVKI-IRXDYDNUSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001317225276 1385005076 /nfs/dbraw/zinc/00/50/76/1385005076.db2.gz AGYURNRLGFDNHW-ZLPCBKJTSA-N 2 2 332.492 3.041 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001317525132 1385245318 /nfs/dbraw/zinc/24/53/18/1385245318.db2.gz DIAWMIKMLFXDEM-QGZVFWFLSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001317525132 1385245321 /nfs/dbraw/zinc/24/53/21/1385245321.db2.gz DIAWMIKMLFXDEM-QGZVFWFLSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001175670112 1385368478 /nfs/dbraw/zinc/36/84/78/1385368478.db2.gz YNWZUONCXLOMPF-IBGZPJMESA-N 2 2 334.423 3.161 10 0 EGAELP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990364 1385766423 /nfs/dbraw/zinc/76/64/23/1385766423.db2.gz HMUCEODYJFCNDO-YQQAZPJKSA-N 2 2 335.492 3.405 10 0 EGAELP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990364 1385766432 /nfs/dbraw/zinc/76/64/32/1385766432.db2.gz HMUCEODYJFCNDO-YQQAZPJKSA-N 2 2 335.492 3.405 10 0 EGAELP CC(C)=CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001319038343 1385939397 /nfs/dbraw/zinc/93/93/97/1385939397.db2.gz MHRWXGHHBSHVCG-KRWDZBQOSA-N 2 2 332.492 3.019 10 0 EGAELP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001319362242 1386079638 /nfs/dbraw/zinc/07/96/38/1386079638.db2.gz BLXOVKUJGURQBS-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001319769694 1386288556 /nfs/dbraw/zinc/28/85/56/1386288556.db2.gz NXDPDSWGYGNUDP-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001319806664 1386305894 /nfs/dbraw/zinc/30/58/94/1386305894.db2.gz GMESXPXRUWKYLS-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001319806664 1386305897 /nfs/dbraw/zinc/30/58/97/1386305897.db2.gz GMESXPXRUWKYLS-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001322336231 1387162138 /nfs/dbraw/zinc/16/21/38/1387162138.db2.gz IJNCHYJIIVDXDI-WBVHZDCISA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001322336231 1387162144 /nfs/dbraw/zinc/16/21/44/1387162144.db2.gz IJNCHYJIIVDXDI-WBVHZDCISA-N 2 2 334.508 3.043 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001329742356 1389215937 /nfs/dbraw/zinc/21/59/37/1389215937.db2.gz MYJOCZHYNVEBSW-SJORKVTESA-N 2 2 344.503 3.457 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001331224651 1389660854 /nfs/dbraw/zinc/66/08/54/1389660854.db2.gz XJFKHZICRYBJSI-VQIMIIECSA-N 2 2 342.487 3.142 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1=CCCCC1 ZINC001332217544 1390048457 /nfs/dbraw/zinc/04/84/57/1390048457.db2.gz HZBYSKHHJKMLSR-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1=CCCCC1 ZINC001332217544 1390048462 /nfs/dbraw/zinc/04/84/62/1390048462.db2.gz HZBYSKHHJKMLSR-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332826879 1390195615 /nfs/dbraw/zinc/19/56/15/1390195615.db2.gz ROEJKONZSNFGEK-DOTOQJQBSA-N 2 2 348.535 3.002 10 0 EGAELP CC[C@@](O)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC001333306907 1390280728 /nfs/dbraw/zinc/28/07/28/1390280728.db2.gz BLHLZISSQRGNSU-OAHLLOKOSA-N 2 2 333.398 3.079 10 0 EGAELP Cc1nnsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001333360481 1390289165 /nfs/dbraw/zinc/28/91/65/1390289165.db2.gz KQWILZXUTUXJOO-JKIFEVAISA-N 2 2 330.501 3.408 10 0 EGAELP Cc1nnsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001333360481 1390289166 /nfs/dbraw/zinc/28/91/66/1390289166.db2.gz KQWILZXUTUXJOO-JKIFEVAISA-N 2 2 330.501 3.408 10 0 EGAELP C[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001352019257 1391746037 /nfs/dbraw/zinc/74/60/37/1391746037.db2.gz CUVKWXQRZYKNIG-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001352019257 1391746044 /nfs/dbraw/zinc/74/60/44/1391746044.db2.gz CUVKWXQRZYKNIG-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698832605 1406526738 /nfs/dbraw/zinc/52/67/38/1406526738.db2.gz HLDLPBVBXXSUEK-FSNWXROXSA-N 2 2 348.450 3.326 10 0 EGAELP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479458653 1392247778 /nfs/dbraw/zinc/24/77/78/1392247778.db2.gz VPQWUAKSIRSKSX-KSZLIROESA-N 2 2 334.508 3.001 10 0 EGAELP CC[C@@H](C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001479600088 1392285306 /nfs/dbraw/zinc/28/53/06/1392285306.db2.gz MEEPPUBBSDBWMP-ZHALLVOQSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001479694233 1392325602 /nfs/dbraw/zinc/32/56/02/1392325602.db2.gz NPYDZDFOSVPTJY-WMZOPIPTSA-N 2 2 348.535 3.304 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698854228 1406558906 /nfs/dbraw/zinc/55/89/06/1406558906.db2.gz HHNZQUJWEVVIPV-HZPDHXFCSA-N 2 2 342.487 3.075 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956048 1392492898 /nfs/dbraw/zinc/49/28/98/1392492898.db2.gz ORKPTLOUZVOLNE-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956048 1392492899 /nfs/dbraw/zinc/49/28/99/1392492899.db2.gz ORKPTLOUZVOLNE-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480204199 1392622323 /nfs/dbraw/zinc/62/23/23/1392622323.db2.gz BJZNPXAATULZKF-FBLDJFESSA-N 2 2 340.471 3.240 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480288885 1392660771 /nfs/dbraw/zinc/66/07/71/1392660771.db2.gz YVIGOHNCNCKXQQ-MJRGOJFPSA-N 2 2 346.519 3.111 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001480334377 1392693520 /nfs/dbraw/zinc/69/35/20/1392693520.db2.gz DEWFIBAXWDAWBF-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001480334377 1392693523 /nfs/dbraw/zinc/69/35/23/1392693523.db2.gz DEWFIBAXWDAWBF-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)c1cccc2[nH+]ccn21 ZINC001480823912 1392961859 /nfs/dbraw/zinc/96/18/59/1392961859.db2.gz LTHZACSZLXFVRP-QGZVFWFLSA-N 2 2 340.471 3.109 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1CCC1CC1)c1cccc2[nH+]ccn21 ZINC001480823912 1392961860 /nfs/dbraw/zinc/96/18/60/1392961860.db2.gz LTHZACSZLXFVRP-QGZVFWFLSA-N 2 2 340.471 3.109 10 0 EGAELP CC1CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001481073044 1393113862 /nfs/dbraw/zinc/11/38/62/1393113862.db2.gz DOKOQTBIHYTNTC-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCC[C@H]2CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001481073044 1393113863 /nfs/dbraw/zinc/11/38/63/1393113863.db2.gz DOKOQTBIHYTNTC-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481335911 1393166139 /nfs/dbraw/zinc/16/61/39/1393166139.db2.gz SOBMQIMAAVHBRO-AEFFLSMTSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001490828480 1394355991 /nfs/dbraw/zinc/35/59/91/1394355991.db2.gz LCVMQTJWKBDAQG-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481742608 1394487686 /nfs/dbraw/zinc/48/76/86/1394487686.db2.gz DJKCRRUYFAXPQL-VDZMMWBESA-N 2 2 332.492 3.113 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481742608 1394487690 /nfs/dbraw/zinc/48/76/90/1394487690.db2.gz DJKCRRUYFAXPQL-VDZMMWBESA-N 2 2 332.492 3.113 10 0 EGAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001481782366 1394526953 /nfs/dbraw/zinc/52/69/53/1394526953.db2.gz PAABNBXMACZGGO-SFHVURJKSA-N 2 2 346.519 3.022 10 0 EGAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481782366 1394526955 /nfs/dbraw/zinc/52/69/55/1394526955.db2.gz PAABNBXMACZGGO-SFHVURJKSA-N 2 2 346.519 3.022 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001491820994 1394537604 /nfs/dbraw/zinc/53/76/04/1394537604.db2.gz HDEPGNPMMXFQKP-QGZVFWFLSA-N 2 2 335.467 3.198 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001482420820 1394983334 /nfs/dbraw/zinc/98/33/34/1394983334.db2.gz GAKPZOCBBWVODW-QAPCUYQASA-N 2 2 342.487 3.273 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001482421671 1394984097 /nfs/dbraw/zinc/98/40/97/1394984097.db2.gz BBBSEGLGKRRCHC-SJLPKXTDSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001482469237 1395024274 /nfs/dbraw/zinc/02/42/74/1395024274.db2.gz BJNCVMBSTCMJHP-IRXDYDNUSA-N 2 2 348.535 3.006 10 0 EGAELP CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485239372 1395732378 /nfs/dbraw/zinc/73/23/78/1395732378.db2.gz LUDUFXPPIIZXIB-QQFBHYJXSA-N 2 2 346.450 3.055 10 0 EGAELP CC[NH2+]CCC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001485779020 1396149099 /nfs/dbraw/zinc/14/90/99/1396149099.db2.gz SHKJRQJDOQWVIM-KRWDZBQOSA-N 2 2 336.439 3.424 10 0 EGAELP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001496170079 1396618769 /nfs/dbraw/zinc/61/87/69/1396618769.db2.gz FGPKBTRWFCMCHD-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496413342 1396696732 /nfs/dbraw/zinc/69/67/32/1396696732.db2.gz ZLBQNNWESMNYKT-KZNAEPCWSA-N 2 2 346.519 3.075 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001496725797 1396723833 /nfs/dbraw/zinc/72/38/33/1396723833.db2.gz ICIOLXAXVXRXSK-UHFFFAOYSA-N 2 2 348.535 3.287 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001496725797 1396723835 /nfs/dbraw/zinc/72/38/35/1396723835.db2.gz ICIOLXAXVXRXSK-UHFFFAOYSA-N 2 2 348.535 3.287 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001689271534 1397007686 /nfs/dbraw/zinc/00/76/86/1397007686.db2.gz LQEXFBPFBFOLDK-KEGWNNHHSA-N 2 2 346.519 3.404 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385988 1404519242 /nfs/dbraw/zinc/51/92/42/1404519242.db2.gz TUYCXXCQWVJGSX-CWIOURORSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385988 1404519246 /nfs/dbraw/zinc/51/92/46/1404519246.db2.gz TUYCXXCQWVJGSX-CWIOURORSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001691360703 1405213568 /nfs/dbraw/zinc/21/35/68/1405213568.db2.gz JAHKYOKRUHIOIZ-CEXWTWQISA-N 2 2 348.535 3.343 10 0 EGAELP Cc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001691412455 1405251395 /nfs/dbraw/zinc/25/13/95/1405251395.db2.gz NCOUZLBYTARWFK-UHFFFAOYSA-N 2 2 348.450 3.043 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892855 1405614841 /nfs/dbraw/zinc/61/48/41/1405614841.db2.gz IKMKGCNAPJRGFO-RBUKOAKNSA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892855 1405614847 /nfs/dbraw/zinc/61/48/47/1405614847.db2.gz IKMKGCNAPJRGFO-RBUKOAKNSA-N 2 2 346.519 3.265 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282439 1405917255 /nfs/dbraw/zinc/91/72/55/1405917255.db2.gz AJMAMIHXPNXDII-DKFQHHCZSA-N 2 2 346.519 3.236 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282439 1405917257 /nfs/dbraw/zinc/91/72/57/1405917257.db2.gz AJMAMIHXPNXDII-DKFQHHCZSA-N 2 2 346.519 3.236 10 0 EGAELP CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732287942 1428515197 /nfs/dbraw/zinc/51/51/97/1428515197.db2.gz YOYNIHVXWQIMSE-QGZVFWFLSA-N 2 2 348.535 3.342 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]C/C=C\c1ccccc1 ZINC001732351762 1428544717 /nfs/dbraw/zinc/54/47/17/1428544717.db2.gz FXYSLRXPEWZGBI-UXHZXRBQSA-N 2 2 348.450 3.003 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001732431803 1428578315 /nfs/dbraw/zinc/57/83/15/1428578315.db2.gz XTXGUGXMFLKRKU-MAUKXSAKSA-N 2 2 348.450 3.072 10 0 EGAELP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001732441034 1428582099 /nfs/dbraw/zinc/58/20/99/1428582099.db2.gz RMKAYHHDQUEDFQ-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732510061 1428629749 /nfs/dbraw/zinc/62/97/49/1428629749.db2.gz CNQVMLJXZGIFMX-IBGZPJMESA-N 2 2 340.471 3.257 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001732531581 1428652113 /nfs/dbraw/zinc/65/21/13/1428652113.db2.gz LFGIJZBUSOONEY-DLBZAZTESA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001699366848 1412672968 /nfs/dbraw/zinc/67/29/68/1412672968.db2.gz COEHJHXMBDHELU-SJLPKXTDSA-N 2 2 334.508 3.145 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732539873 1428689830 /nfs/dbraw/zinc/68/98/30/1428689830.db2.gz MMPXQUYFDOQAAN-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732539873 1428689833 /nfs/dbraw/zinc/68/98/33/1428689833.db2.gz MMPXQUYFDOQAAN-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699674255 1413066426 /nfs/dbraw/zinc/06/64/26/1413066426.db2.gz VCRXQFBMTINVNC-QZTJIDSGSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699674255 1413066430 /nfs/dbraw/zinc/06/64/30/1413066430.db2.gz VCRXQFBMTINVNC-QZTJIDSGSA-N 2 2 346.519 3.091 10 0 EGAELP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700194487 1413631133 /nfs/dbraw/zinc/63/11/33/1413631133.db2.gz RRFOUHDLELXBFT-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700194487 1413631134 /nfs/dbraw/zinc/63/11/34/1413631134.db2.gz RRFOUHDLELXBFT-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001700222222 1413669940 /nfs/dbraw/zinc/66/99/40/1413669940.db2.gz JTQZKWBAWOLAER-UHFFFAOYSA-N 2 2 348.535 3.150 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700292258 1413746594 /nfs/dbraw/zinc/74/65/94/1413746594.db2.gz JANIGZAVHKCRHO-SJORKVTESA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700292258 1413746601 /nfs/dbraw/zinc/74/66/01/1413746601.db2.gz JANIGZAVHKCRHO-SJORKVTESA-N 2 2 348.535 3.487 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001700294303 1413753522 /nfs/dbraw/zinc/75/35/22/1413753522.db2.gz PYKCXNIAJSSGID-DVBCCOPCSA-N 2 2 346.519 3.224 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001700294303 1413753526 /nfs/dbraw/zinc/75/35/26/1413753526.db2.gz PYKCXNIAJSSGID-DVBCCOPCSA-N 2 2 346.519 3.224 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001700439462 1414010752 /nfs/dbraw/zinc/01/07/52/1414010752.db2.gz WNYGLBYZQIHCQI-UHFFFAOYSA-N 2 2 348.535 3.459 10 0 EGAELP CCC[NH2+]CCCOC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700508848 1414156395 /nfs/dbraw/zinc/15/63/95/1414156395.db2.gz QGMZZUCPUJZCBJ-UHFFFAOYSA-N 2 2 347.503 3.018 10 0 EGAELP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700574954 1414248320 /nfs/dbraw/zinc/24/83/20/1414248320.db2.gz DXOCOFNGAPDGNW-WBVHZDCISA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700574954 1414248321 /nfs/dbraw/zinc/24/83/21/1414248321.db2.gz DXOCOFNGAPDGNW-WBVHZDCISA-N 2 2 334.508 3.097 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CC3CCC3)C(C)C)ccn12 ZINC001700711815 1414369004 /nfs/dbraw/zinc/36/90/04/1414369004.db2.gz VVVCGRAFWBTONV-GOSISDBHSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001700731466 1414395515 /nfs/dbraw/zinc/39/55/15/1414395515.db2.gz RQJQOMPKHMZWHJ-QAPCUYQASA-N 2 2 346.519 3.097 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700762865 1414436484 /nfs/dbraw/zinc/43/64/84/1414436484.db2.gz PKPFTSDKWLUGBT-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP CCCCC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001701010583 1414669569 /nfs/dbraw/zinc/66/95/69/1414669569.db2.gz DSXKOXJNRXGFPQ-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001701031325 1414694314 /nfs/dbraw/zinc/69/43/14/1414694314.db2.gz YDJODVKRENHZPN-KRWDZBQOSA-N 2 2 344.503 3.161 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732614535 1428877701 /nfs/dbraw/zinc/87/77/01/1428877701.db2.gz RIYIBMDQQNEEPL-ZWKOTPCHSA-N 2 2 340.471 3.097 10 0 EGAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC001713031576 1417583199 /nfs/dbraw/zinc/58/31/99/1417583199.db2.gz XAXLGQRBACCSJL-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC001713031576 1417583202 /nfs/dbraw/zinc/58/32/02/1417583202.db2.gz XAXLGQRBACCSJL-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001713052325 1417604123 /nfs/dbraw/zinc/60/41/23/1417604123.db2.gz BFXVFVIAJICZGB-IBGZPJMESA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713263514 1417871528 /nfs/dbraw/zinc/87/15/28/1417871528.db2.gz QHUFPSYXBHNULW-RBUKOAKNSA-N 2 2 346.519 3.407 10 0 EGAELP CCOCCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001713289630 1417916578 /nfs/dbraw/zinc/91/65/78/1417916578.db2.gz OGQLZMILIHOPOP-UHFFFAOYSA-N 2 2 347.503 3.064 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCOC(C)C)C2)c(C)[nH+]1 ZINC001713376734 1417986742 /nfs/dbraw/zinc/98/67/42/1417986742.db2.gz IUDXEQXROWSCAS-ZWKOTPCHSA-N 2 2 347.503 3.062 10 0 EGAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001713417703 1418041251 /nfs/dbraw/zinc/04/12/51/1418041251.db2.gz AWBISBSPOCKPIC-HZPDHXFCSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001713417703 1418041255 /nfs/dbraw/zinc/04/12/55/1418041255.db2.gz AWBISBSPOCKPIC-HZPDHXFCSA-N 2 2 348.535 3.289 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733076729 1429231273 /nfs/dbraw/zinc/23/12/73/1429231273.db2.gz HKQULGPACKMCGW-WBVHZDCISA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713682094 1418434114 /nfs/dbraw/zinc/43/41/14/1418434114.db2.gz UWCDZXFRRWNMHN-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001713718767 1418487983 /nfs/dbraw/zinc/48/79/83/1418487983.db2.gz NRZFFWKONWRLOQ-QGZVFWFLSA-N 2 2 334.508 3.022 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001713718767 1418487985 /nfs/dbraw/zinc/48/79/85/1418487985.db2.gz NRZFFWKONWRLOQ-QGZVFWFLSA-N 2 2 334.508 3.022 10 0 EGAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001713779932 1418595336 /nfs/dbraw/zinc/59/53/36/1418595336.db2.gz QELKTQSRVDTFSW-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001713779932 1418595339 /nfs/dbraw/zinc/59/53/39/1418595339.db2.gz QELKTQSRVDTFSW-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)c1cccc2[nH+]ccn21 ZINC001713999111 1418778532 /nfs/dbraw/zinc/77/85/32/1418778532.db2.gz HRGVNGIFFBAGII-CALCHBBNSA-N 2 2 340.471 3.155 10 0 EGAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001714009543 1418788993 /nfs/dbraw/zinc/78/89/93/1418788993.db2.gz MTEFPIFINXIYGV-NXHRZFHOSA-N 2 2 332.492 3.041 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153666 1418961769 /nfs/dbraw/zinc/96/17/69/1418961769.db2.gz KQNRNEJPFMFKTM-SJORKVTESA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153666 1418961771 /nfs/dbraw/zinc/96/17/71/1418961771.db2.gz KQNRNEJPFMFKTM-SJORKVTESA-N 2 2 342.487 3.355 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001714189759 1418996798 /nfs/dbraw/zinc/99/67/98/1418996798.db2.gz BPOJBINUAWTBLI-UHFFFAOYSA-N 2 2 346.519 3.330 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001714189759 1418996800 /nfs/dbraw/zinc/99/68/00/1418996800.db2.gz BPOJBINUAWTBLI-UHFFFAOYSA-N 2 2 346.519 3.330 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001733204267 1429310934 /nfs/dbraw/zinc/31/09/34/1429310934.db2.gz ZXFMSVGGMFPMJN-MZIIKBMYSA-N 2 2 346.519 3.224 10 0 EGAELP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccccc1Cl ZINC001714588782 1419334747 /nfs/dbraw/zinc/33/47/47/1419334747.db2.gz LQTLQGOOHMRYDV-HNNXBMFYSA-N 2 2 348.878 3.044 10 0 EGAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccccc1Cl ZINC001714588782 1419334749 /nfs/dbraw/zinc/33/47/49/1419334749.db2.gz LQTLQGOOHMRYDV-HNNXBMFYSA-N 2 2 348.878 3.044 10 0 EGAELP C[C@H](CC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001714762574 1419498026 /nfs/dbraw/zinc/49/80/26/1419498026.db2.gz JHHYETFTVHDVOW-MRXNPFEDSA-N 2 2 334.508 3.099 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714855518 1419571149 /nfs/dbraw/zinc/57/11/49/1419571149.db2.gz KYLAMEMHEAWDCH-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714855518 1419571152 /nfs/dbraw/zinc/57/11/52/1419571152.db2.gz KYLAMEMHEAWDCH-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714855518 1419571155 /nfs/dbraw/zinc/57/11/55/1419571155.db2.gz KYLAMEMHEAWDCH-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714855518 1419571158 /nfs/dbraw/zinc/57/11/58/1419571158.db2.gz KYLAMEMHEAWDCH-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001714866685 1419593309 /nfs/dbraw/zinc/59/33/09/1419593309.db2.gz SRILYJACNDQRHL-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001714866685 1419593312 /nfs/dbraw/zinc/59/33/12/1419593312.db2.gz SRILYJACNDQRHL-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872015 1419602917 /nfs/dbraw/zinc/60/29/17/1419602917.db2.gz BWXLDUYFMRKATJ-SJORKVTESA-N 2 2 335.467 3.197 10 0 EGAELP CC[C@H](F)C[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872015 1419602918 /nfs/dbraw/zinc/60/29/18/1419602918.db2.gz BWXLDUYFMRKATJ-SJORKVTESA-N 2 2 335.467 3.197 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895515 1419635650 /nfs/dbraw/zinc/63/56/50/1419635650.db2.gz KSFUBADEZGFABF-DVBCCOPCSA-N 2 2 346.519 3.063 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895515 1419635652 /nfs/dbraw/zinc/63/56/52/1419635652.db2.gz KSFUBADEZGFABF-DVBCCOPCSA-N 2 2 346.519 3.063 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001714921559 1419674020 /nfs/dbraw/zinc/67/40/20/1419674020.db2.gz WKGSHQFWKGKWGD-HOTGVXAUSA-N 2 2 330.476 3.115 10 0 EGAELP CC(C)C[C@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714968778 1419704800 /nfs/dbraw/zinc/70/48/00/1419704800.db2.gz YLQZVRGMJXBFHH-LJQANCHMSA-N 2 2 346.519 3.099 10 0 EGAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)cccc1C ZINC001715076377 1419811386 /nfs/dbraw/zinc/81/13/86/1419811386.db2.gz NWGYWYLFMCBYDV-MSOLQXFVSA-N 2 2 342.487 3.136 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715147721 1419893419 /nfs/dbraw/zinc/89/34/19/1419893419.db2.gz NQDNQIHWICMHBD-QGZVFWFLSA-N 2 2 340.471 3.132 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001715186880 1419919673 /nfs/dbraw/zinc/91/96/73/1419919673.db2.gz OKWWHBJONHLDPF-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001715186880 1419919676 /nfs/dbraw/zinc/91/96/76/1419919676.db2.gz OKWWHBJONHLDPF-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]C/C=C\c1ccccc1 ZINC001715241376 1419970736 /nfs/dbraw/zinc/97/07/36/1419970736.db2.gz ZLKDHHSPJGZMPL-KQQSKNTNSA-N 2 2 348.450 3.232 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715319017 1420027146 /nfs/dbraw/zinc/02/71/46/1420027146.db2.gz FGCSYHNQLMHNDG-WBVHZDCISA-N 2 2 348.535 3.340 10 0 EGAELP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001715364332 1420061751 /nfs/dbraw/zinc/06/17/51/1420061751.db2.gz CTJDJPPHHADVTF-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715438050 1420123410 /nfs/dbraw/zinc/12/34/10/1420123410.db2.gz NZXCLVLZKXZXKN-HOCLYGCPSA-N 2 2 346.450 3.285 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001715466675 1420146312 /nfs/dbraw/zinc/14/63/12/1420146312.db2.gz XGUHPUHHZJDTPV-WBVHZDCISA-N 2 2 348.535 3.304 10 0 EGAELP CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1=CCCCC1 ZINC001715591314 1420262385 /nfs/dbraw/zinc/26/23/85/1420262385.db2.gz IPUGAMDPMNRBEA-QGZVFWFLSA-N 2 2 340.471 3.179 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)ccn12 ZINC001715648018 1420278418 /nfs/dbraw/zinc/27/84/18/1420278418.db2.gz UEEVXOUDXXSXLM-AWEZNQCLSA-N 2 2 330.476 3.177 10 0 EGAELP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716224559 1420571426 /nfs/dbraw/zinc/57/14/26/1420571426.db2.gz UMYGMAOGPVZZSC-UHFFFAOYSA-N 2 2 336.439 3.123 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]C[C@@H](C)CC(C)C)c[nH+]1 ZINC001716780092 1420918815 /nfs/dbraw/zinc/91/88/15/1420918815.db2.gz LESCATGKBJXRNA-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001716962074 1421053154 /nfs/dbraw/zinc/05/31/54/1421053154.db2.gz WHINWRYLJAGVLS-AEFFLSMTSA-N 2 2 342.487 3.273 10 0 EGAELP CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001717241641 1421209836 /nfs/dbraw/zinc/20/98/36/1421209836.db2.gz SWMUHXVXLWYUQL-KRWDZBQOSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]2(CC[N@@H+](CCCC(C)C)C2)C1 ZINC001717247072 1421217955 /nfs/dbraw/zinc/21/79/55/1421217955.db2.gz BPARIJVDOHIDSP-HXUWFJFHSA-N 2 2 346.519 3.011 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)C)C2)C1 ZINC001717247072 1421217958 /nfs/dbraw/zinc/21/79/58/1421217958.db2.gz BPARIJVDOHIDSP-HXUWFJFHSA-N 2 2 346.519 3.011 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCC1 ZINC001717333931 1421270051 /nfs/dbraw/zinc/27/00/51/1421270051.db2.gz NTJBRVRDHAIBFJ-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCC1CCCCC1 ZINC001717333931 1421270053 /nfs/dbraw/zinc/27/00/53/1421270053.db2.gz NTJBRVRDHAIBFJ-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717361353 1421296142 /nfs/dbraw/zinc/29/61/42/1421296142.db2.gz OKCUVQPEOQFPDA-QKYXUNIQSA-N 2 2 340.471 3.006 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001717419954 1421350040 /nfs/dbraw/zinc/35/00/40/1421350040.db2.gz JNFFNNFVXFJFKK-LSDHHAIUSA-N 2 2 343.446 3.443 10 0 EGAELP C[C@@H]1CCC[C@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001717456852 1421386008 /nfs/dbraw/zinc/38/60/08/1421386008.db2.gz NBVDBUZMQWEZIE-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](CCC[NH2+]CCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001717669388 1421559155 /nfs/dbraw/zinc/55/91/55/1421559155.db2.gz UNYUCTHXMVQYQH-MRXNPFEDSA-N 2 2 348.535 3.073 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001717897988 1421695519 /nfs/dbraw/zinc/69/55/19/1421695519.db2.gz NEDGECLVJPMYKR-QGZVFWFLSA-N 2 2 342.487 3.211 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001717962676 1421733848 /nfs/dbraw/zinc/73/38/48/1421733848.db2.gz KLLFPPXWKLILMC-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001717980993 1421752551 /nfs/dbraw/zinc/75/25/51/1421752551.db2.gz UDZGHCFTDQCENE-OAHLLOKOSA-N 2 2 348.535 3.304 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1)n1cc[nH+]c1 ZINC001733347532 1429529090 /nfs/dbraw/zinc/52/90/90/1429529090.db2.gz JUNUYJCIMCUHNW-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733432809 1429640305 /nfs/dbraw/zinc/64/03/05/1429640305.db2.gz TXIQJWLBYDWHKX-ICSRJNTNSA-N 2 2 348.535 3.345 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001722941064 1424267806 /nfs/dbraw/zinc/26/78/06/1424267806.db2.gz TYTNMKJUXXVKGY-SJLPKXTDSA-N 2 2 346.519 3.043 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001722941064 1424267809 /nfs/dbraw/zinc/26/78/09/1424267809.db2.gz TYTNMKJUXXVKGY-SJLPKXTDSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001723948899 1424610446 /nfs/dbraw/zinc/61/04/46/1424610446.db2.gz DSNDZDHDIVQONP-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161504 1424698236 /nfs/dbraw/zinc/69/82/36/1424698236.db2.gz JMNXQRSARFXZLV-AZUAARDMSA-N 2 2 348.535 3.487 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161504 1424698238 /nfs/dbraw/zinc/69/82/38/1424698238.db2.gz JMNXQRSARFXZLV-AZUAARDMSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001724834581 1425181628 /nfs/dbraw/zinc/18/16/28/1425181628.db2.gz MBUOLVBWMYUFMA-SFHVURJKSA-N 2 2 342.487 3.417 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001724834581 1425181629 /nfs/dbraw/zinc/18/16/29/1425181629.db2.gz MBUOLVBWMYUFMA-SFHVURJKSA-N 2 2 342.487 3.417 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725091764 1425534639 /nfs/dbraw/zinc/53/46/39/1425534639.db2.gz NDAKFLJDCPHPSG-HUUCEWRRSA-N 2 2 330.476 3.175 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC001725364182 1426014437 /nfs/dbraw/zinc/01/44/37/1426014437.db2.gz NMYGUASCINVIHD-YWTNHNAXSA-N 2 2 340.471 3.080 10 0 EGAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCCC1 ZINC001725496980 1426175581 /nfs/dbraw/zinc/17/55/81/1426175581.db2.gz BPBDIAZAIRPZBK-MRXNPFEDSA-N 2 2 342.487 3.355 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)c[nH+]1 ZINC001725749216 1426427373 /nfs/dbraw/zinc/42/73/73/1426427373.db2.gz YMSZETFQAAJCHO-INIZCTEOSA-N 2 2 336.524 3.093 10 0 EGAELP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001731349595 1427287702 /nfs/dbraw/zinc/28/77/02/1427287702.db2.gz WEMGDXHTZTWMCT-UHFFFAOYSA-N 2 2 346.519 3.166 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001731350373 1427288596 /nfs/dbraw/zinc/28/85/96/1427288596.db2.gz FYSZIHHJCPUVJC-UHFFFAOYSA-N 2 2 344.503 3.087 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)C)c[nH+]1 ZINC001731548132 1427565196 /nfs/dbraw/zinc/56/51/96/1427565196.db2.gz OOCUMEXTXHTLNH-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854760 1428087188 /nfs/dbraw/zinc/08/71/88/1428087188.db2.gz KHMPUDSPUIZJHP-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854760 1428087193 /nfs/dbraw/zinc/08/71/93/1428087193.db2.gz KHMPUDSPUIZJHP-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760762 1429975837 /nfs/dbraw/zinc/97/58/37/1429975837.db2.gz MNXPXCHZXYRKBS-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760762 1429975841 /nfs/dbraw/zinc/97/58/41/1429975841.db2.gz MNXPXCHZXYRKBS-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001734013588 1437804629 /nfs/dbraw/zinc/80/46/29/1437804629.db2.gz PKIKEYGEGHMBRA-UHFFFAOYSA-N 2 2 332.492 3.013 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001734013516 1437804821 /nfs/dbraw/zinc/80/48/21/1437804821.db2.gz OQMBICRLMWVERZ-IAZNDGHVSA-N 2 2 346.519 3.304 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001734013516 1437804823 /nfs/dbraw/zinc/80/48/23/1437804823.db2.gz OQMBICRLMWVERZ-IAZNDGHVSA-N 2 2 346.519 3.304 10 0 EGAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)CCC(C)(C)C ZINC001734045535 1437834371 /nfs/dbraw/zinc/83/43/71/1437834371.db2.gz AWBAMVFSBNCVEC-INIZCTEOSA-N 2 2 342.487 3.359 10 0 EGAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)CCC(C)(C)C ZINC001734045535 1437834373 /nfs/dbraw/zinc/83/43/73/1437834373.db2.gz AWBAMVFSBNCVEC-INIZCTEOSA-N 2 2 342.487 3.359 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001734212093 1437944656 /nfs/dbraw/zinc/94/46/56/1437944656.db2.gz GBUSPOYERPWYHD-BRWVUGGUSA-N 2 2 342.487 3.115 10 0 EGAELP CCCCCC[NH2+][C@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001734322676 1438049412 /nfs/dbraw/zinc/04/94/12/1438049412.db2.gz JKKIROYQIPEKND-OAHLLOKOSA-N 2 2 330.476 3.273 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001734393472 1438079770 /nfs/dbraw/zinc/07/97/70/1438079770.db2.gz WBFFXJFYRWCHJN-FUHWJXTLSA-N 2 2 342.487 3.416 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485006 1438128386 /nfs/dbraw/zinc/12/83/86/1438128386.db2.gz IUWAEXIWSMISQS-ZWKOTPCHSA-N 2 2 344.503 3.026 10 0 EGAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001734587918 1438177594 /nfs/dbraw/zinc/17/75/94/1438177594.db2.gz YNQVAZLDOSKEES-INIZCTEOSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944115 1440117410 /nfs/dbraw/zinc/11/74/10/1440117410.db2.gz FBVHOKUSMPCVNB-MSOLQXFVSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001750944115 1440117411 /nfs/dbraw/zinc/11/74/11/1440117411.db2.gz FBVHOKUSMPCVNB-MSOLQXFVSA-N 2 2 348.535 3.172 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099222 168310894 /nfs/dbraw/zinc/31/08/94/168310894.db2.gz FAHPSMNSSDNZQB-BXUZGUMPSA-N 2 2 334.261 3.250 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099222 168310896 /nfs/dbraw/zinc/31/08/96/168310896.db2.gz FAHPSMNSSDNZQB-BXUZGUMPSA-N 2 2 334.261 3.250 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103679 168311643 /nfs/dbraw/zinc/31/16/43/168311643.db2.gz XVYKYYNQMNHNBW-WFASDCNBSA-N 2 2 339.418 3.251 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103679 168311645 /nfs/dbraw/zinc/31/16/45/168311645.db2.gz XVYKYYNQMNHNBW-WFASDCNBSA-N 2 2 339.418 3.251 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000369587337 282131472 /nfs/dbraw/zinc/13/14/72/282131472.db2.gz SNJVFIMWHQLVPY-UFYCRDLUSA-N 2 2 340.515 3.209 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2F)C1 ZINC000181930546 529760462 /nfs/dbraw/zinc/76/04/62/529760462.db2.gz MZBPCUYAUMHECL-MRXNPFEDSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2F)C1 ZINC000181930546 529760463 /nfs/dbraw/zinc/76/04/63/529760463.db2.gz MZBPCUYAUMHECL-MRXNPFEDSA-N 2 2 345.418 3.208 10 0 EGAELP C[N@@H+]1CC[C@@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463154 283088654 /nfs/dbraw/zinc/08/86/54/283088654.db2.gz HSPWYDGRIKHUEU-BOWFFMLLSA-N 2 2 328.500 3.365 10 0 EGAELP C[N@H+]1CC[C@@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463154 283088659 /nfs/dbraw/zinc/08/86/59/283088659.db2.gz HSPWYDGRIKHUEU-BOWFFMLLSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@@H]2OCC[N@H+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463154 283088662 /nfs/dbraw/zinc/08/86/62/283088662.db2.gz HSPWYDGRIKHUEU-BOWFFMLLSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@@H]2OCC[N@@H+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463154 283088666 /nfs/dbraw/zinc/08/86/66/283088666.db2.gz HSPWYDGRIKHUEU-BOWFFMLLSA-N 2 2 328.500 3.365 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000154508557 533107931 /nfs/dbraw/zinc/10/79/31/533107931.db2.gz WCMLVBWIQIYUJY-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Br ZINC000154508557 533107942 /nfs/dbraw/zinc/10/79/42/533107942.db2.gz WCMLVBWIQIYUJY-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328641188 258024091 /nfs/dbraw/zinc/02/40/91/258024091.db2.gz QLCQEXAQWYLUJZ-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328641188 258024093 /nfs/dbraw/zinc/02/40/93/258024093.db2.gz QLCQEXAQWYLUJZ-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328641188 258024094 /nfs/dbraw/zinc/02/40/94/258024094.db2.gz QLCQEXAQWYLUJZ-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328641188 258024096 /nfs/dbraw/zinc/02/40/96/258024096.db2.gz QLCQEXAQWYLUJZ-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(F)cc3)CCC[NH+]2C)cn1 ZINC000328632009 258028366 /nfs/dbraw/zinc/02/83/66/258028366.db2.gz LCKVHNLQWJEBRB-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(F)cc3)CCC[NH+]2C)cn1 ZINC000328632009 258028367 /nfs/dbraw/zinc/02/83/67/258028367.db2.gz LCKVHNLQWJEBRB-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)cc3)CCC[N@@H+]2C)cn1 ZINC000328632009 258028368 /nfs/dbraw/zinc/02/83/68/258028368.db2.gz LCKVHNLQWJEBRB-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)cc3)CCC[N@H+]2C)cn1 ZINC000328632009 258028369 /nfs/dbraw/zinc/02/83/69/258028369.db2.gz LCKVHNLQWJEBRB-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP C[N@@H+](Cc1ccc(Cl)cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654501 258019207 /nfs/dbraw/zinc/01/92/07/258019207.db2.gz XNAYLZJKTUNUIU-YJBOKZPZSA-N 2 2 330.863 3.255 10 0 EGAELP C[N@H+](Cc1ccc(Cl)cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654501 258019208 /nfs/dbraw/zinc/01/92/08/258019208.db2.gz XNAYLZJKTUNUIU-YJBOKZPZSA-N 2 2 330.863 3.255 10 0 EGAELP C[NH+](Cc1ccc(Cl)cn1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328654501 258019209 /nfs/dbraw/zinc/01/92/09/258019209.db2.gz XNAYLZJKTUNUIU-YJBOKZPZSA-N 2 2 330.863 3.255 10 0 EGAELP C[NH+](Cc1ccc(Cl)cn1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328654501 258019210 /nfs/dbraw/zinc/01/92/10/258019210.db2.gz XNAYLZJKTUNUIU-YJBOKZPZSA-N 2 2 330.863 3.255 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646291 141020977 /nfs/dbraw/zinc/02/09/77/141020977.db2.gz IJTMNXMPOAXXCE-UHOSZYNNSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646291 141020978 /nfs/dbraw/zinc/02/09/78/141020978.db2.gz IJTMNXMPOAXXCE-UHOSZYNNSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646291 141020980 /nfs/dbraw/zinc/02/09/80/141020980.db2.gz IJTMNXMPOAXXCE-UHOSZYNNSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246646291 141020983 /nfs/dbraw/zinc/02/09/83/141020983.db2.gz IJTMNXMPOAXXCE-UHOSZYNNSA-N 2 2 331.504 3.059 10 0 EGAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842037 141038670 /nfs/dbraw/zinc/03/86/70/141038670.db2.gz OTJWXZLDHHOGOV-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842037 141038671 /nfs/dbraw/zinc/03/86/71/141038671.db2.gz OTJWXZLDHHOGOV-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842037 141038673 /nfs/dbraw/zinc/03/86/73/141038673.db2.gz OTJWXZLDHHOGOV-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000246964222 141045977 /nfs/dbraw/zinc/04/59/77/141045977.db2.gz ITTDLLZKQHHOHK-UKRRQHHQSA-N 2 2 346.862 3.337 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000246964222 141045978 /nfs/dbraw/zinc/04/59/78/141045978.db2.gz ITTDLLZKQHHOHK-UKRRQHHQSA-N 2 2 346.862 3.337 10 0 EGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728712 144098096 /nfs/dbraw/zinc/09/80/96/144098096.db2.gz XQKVEKFQJJLLSJ-NADMHLTPSA-N 2 2 325.456 3.397 10 0 EGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728712 144098098 /nfs/dbraw/zinc/09/80/98/144098098.db2.gz XQKVEKFQJJLLSJ-NADMHLTPSA-N 2 2 325.456 3.397 10 0 EGAELP CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000351571671 144281711 /nfs/dbraw/zinc/28/17/11/144281711.db2.gz AOQFCKOQONKBLG-UHFFFAOYSA-N 2 2 335.473 3.488 10 0 EGAELP CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000351571671 144281712 /nfs/dbraw/zinc/28/17/12/144281712.db2.gz AOQFCKOQONKBLG-UHFFFAOYSA-N 2 2 335.473 3.488 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000351762466 144303223 /nfs/dbraw/zinc/30/32/23/144303223.db2.gz ZAKJHIXGLAGTIJ-JSGCOSHPSA-N 2 2 335.354 3.288 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000351762466 144303225 /nfs/dbraw/zinc/30/32/25/144303225.db2.gz ZAKJHIXGLAGTIJ-JSGCOSHPSA-N 2 2 335.354 3.288 10 0 EGAELP C[C@H](c1c(F)cccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119627589 152218620 /nfs/dbraw/zinc/21/86/20/152218620.db2.gz OJRJYIDXKLRDBK-VPSFDDGASA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1c(F)cccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119627589 152218625 /nfs/dbraw/zinc/21/86/25/152218625.db2.gz OJRJYIDXKLRDBK-VPSFDDGASA-N 2 2 349.469 3.269 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000192007693 153236868 /nfs/dbraw/zinc/23/68/68/153236868.db2.gz MBMDUCXONHMQTA-UHFFFAOYSA-N 2 2 335.455 3.289 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336787023 154212524 /nfs/dbraw/zinc/21/25/24/154212524.db2.gz DCBAOBLSKDMQHJ-OXJNMPFZSA-N 2 2 340.467 3.456 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336787023 154212527 /nfs/dbraw/zinc/21/25/27/154212527.db2.gz DCBAOBLSKDMQHJ-OXJNMPFZSA-N 2 2 340.467 3.456 10 0 EGAELP CCOc1cc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1O ZINC000336713973 154212650 /nfs/dbraw/zinc/21/26/50/154212650.db2.gz OUBLAXPJXPYMCJ-INIZCTEOSA-N 2 2 328.456 3.401 10 0 EGAELP CCOc1cc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1O ZINC000336713973 154212651 /nfs/dbraw/zinc/21/26/51/154212651.db2.gz OUBLAXPJXPYMCJ-INIZCTEOSA-N 2 2 328.456 3.401 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639822 162021301 /nfs/dbraw/zinc/02/13/01/162021301.db2.gz JWVMMAMBNFRWJO-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639822 162021304 /nfs/dbraw/zinc/02/13/04/162021304.db2.gz JWVMMAMBNFRWJO-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639822 162021307 /nfs/dbraw/zinc/02/13/07/162021307.db2.gz JWVMMAMBNFRWJO-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 ZINC000093639822 162021314 /nfs/dbraw/zinc/02/13/14/162021314.db2.gz JWVMMAMBNFRWJO-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1n1cc[nH+]c1 ZINC000249296702 163062711 /nfs/dbraw/zinc/06/27/11/163062711.db2.gz BKGNFQMASFPHRR-CZUORRHYSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1n1cc[nH+]c1 ZINC000249296702 163062714 /nfs/dbraw/zinc/06/27/14/163062714.db2.gz BKGNFQMASFPHRR-CZUORRHYSA-N 2 2 341.390 3.155 10 0 EGAELP COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344327913 164157931 /nfs/dbraw/zinc/15/79/31/164157931.db2.gz KCKOVEVYWPJXIY-AWEZNQCLSA-N 2 2 331.441 3.264 10 0 EGAELP c1cn(-c2csc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346134061 164345537 /nfs/dbraw/zinc/34/55/37/164345537.db2.gz FEYUDWURHJWPCQ-UHFFFAOYSA-N 3 2 330.501 3.242 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169701 164355413 /nfs/dbraw/zinc/35/54/13/164355413.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169701 164355415 /nfs/dbraw/zinc/35/54/15/164355415.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169701 164355417 /nfs/dbraw/zinc/35/54/17/164355417.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169701 164355419 /nfs/dbraw/zinc/35/54/19/164355419.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000346312718 164367713 /nfs/dbraw/zinc/36/77/13/164367713.db2.gz GSLLDUOHNWSBIL-SFHVURJKSA-N 2 2 339.464 3.377 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000346312718 164367715 /nfs/dbraw/zinc/36/77/15/164367715.db2.gz GSLLDUOHNWSBIL-SFHVURJKSA-N 2 2 339.464 3.377 10 0 EGAELP [NH3+]CCCN(Cc1[nH+]ccn1Cc1ccccc1)c1ccccc1F ZINC000346399038 164380809 /nfs/dbraw/zinc/38/08/09/164380809.db2.gz YFUSXXBIADHGJI-UHFFFAOYSA-N 2 2 338.430 3.426 10 0 EGAELP Cc1[nH+]ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1Cl ZINC000350313383 165029989 /nfs/dbraw/zinc/02/99/89/165029989.db2.gz ZRLUXBVKBQYSOX-STQMWFEESA-N 2 2 346.862 3.086 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226364 167101582 /nfs/dbraw/zinc/10/15/82/167101582.db2.gz MJWCCDAGAZXURX-YJBOKZPZSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226364 167101586 /nfs/dbraw/zinc/10/15/86/167101586.db2.gz MJWCCDAGAZXURX-YJBOKZPZSA-N 2 2 326.431 3.362 10 0 EGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000367092250 168178270 /nfs/dbraw/zinc/17/82/70/168178270.db2.gz NRCFKOVTUGVRLQ-MRXNPFEDSA-N 2 2 335.455 3.247 10 0 EGAELP c1cn2c(cccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000367092250 168178272 /nfs/dbraw/zinc/17/82/72/168178272.db2.gz NRCFKOVTUGVRLQ-MRXNPFEDSA-N 2 2 335.455 3.247 10 0 EGAELP CCc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123309086 222253296 /nfs/dbraw/zinc/25/32/96/222253296.db2.gz VWSHMHKQTYJJFX-PBHICJAKSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123309086 222253299 /nfs/dbraw/zinc/25/32/99/222253299.db2.gz VWSHMHKQTYJJFX-PBHICJAKSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123309086 222253302 /nfs/dbraw/zinc/25/33/02/222253302.db2.gz VWSHMHKQTYJJFX-PBHICJAKSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123309086 222253304 /nfs/dbraw/zinc/25/33/04/222253304.db2.gz VWSHMHKQTYJJFX-PBHICJAKSA-N 2 2 328.456 3.270 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@@H+]1C ZINC000123780681 222331121 /nfs/dbraw/zinc/33/11/21/222331121.db2.gz GJVDYUAFDIMKJK-PXNSSMCTSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@H+]1C ZINC000123780681 222331122 /nfs/dbraw/zinc/33/11/22/222331122.db2.gz GJVDYUAFDIMKJK-PXNSSMCTSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780681 222331124 /nfs/dbraw/zinc/33/11/24/222331124.db2.gz GJVDYUAFDIMKJK-PXNSSMCTSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780681 222331125 /nfs/dbraw/zinc/33/11/25/222331125.db2.gz GJVDYUAFDIMKJK-PXNSSMCTSA-N 2 2 343.515 3.227 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171925046 264941065 /nfs/dbraw/zinc/94/10/65/264941065.db2.gz BSROMFXIOLLALI-LJQANCHMSA-N 2 2 330.472 3.099 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000178325985 265308669 /nfs/dbraw/zinc/30/86/69/265308669.db2.gz KWBVEOFBOLIFEK-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000178325985 265308675 /nfs/dbraw/zinc/30/86/75/265308675.db2.gz KWBVEOFBOLIFEK-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195294494 266172399 /nfs/dbraw/zinc/17/23/99/266172399.db2.gz OGQGFJUCQFADHA-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195294494 266172401 /nfs/dbraw/zinc/17/24/01/266172401.db2.gz OGQGFJUCQFADHA-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000195294494 266172403 /nfs/dbraw/zinc/17/24/03/266172403.db2.gz OGQGFJUCQFADHA-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705037 274366712 /nfs/dbraw/zinc/36/67/12/274366712.db2.gz KQUCUBRFWIXSPG-ACJLOTCBSA-N 2 2 331.847 3.045 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180906294 275204026 /nfs/dbraw/zinc/20/40/26/275204026.db2.gz YZVXLTMBEINSAZ-HUUCEWRRSA-N 2 2 339.277 3.174 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000180906294 275204028 /nfs/dbraw/zinc/20/40/28/275204028.db2.gz YZVXLTMBEINSAZ-HUUCEWRRSA-N 2 2 339.277 3.174 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189079737 275219646 /nfs/dbraw/zinc/21/96/46/275219646.db2.gz CHIXELHRGGQSNC-KRWDZBQOSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000189079737 275219649 /nfs/dbraw/zinc/21/96/49/275219649.db2.gz CHIXELHRGGQSNC-KRWDZBQOSA-N 2 2 339.418 3.181 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000278653752 275262552 /nfs/dbraw/zinc/26/25/52/275262552.db2.gz MOVCZYCEPADKSD-UHFFFAOYSA-N 2 2 326.347 3.142 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000287586356 276136499 /nfs/dbraw/zinc/13/64/99/276136499.db2.gz RDBIAKNBOGQDIJ-UHFFFAOYSA-N 2 2 338.455 3.268 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000287586356 276136500 /nfs/dbraw/zinc/13/65/00/276136500.db2.gz RDBIAKNBOGQDIJ-UHFFFAOYSA-N 2 2 338.455 3.268 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000290140377 276452098 /nfs/dbraw/zinc/45/20/98/276452098.db2.gz CDECKHNYIGTFCQ-OAHLLOKOSA-N 2 2 346.368 3.136 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC([NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000127694361 277390237 /nfs/dbraw/zinc/39/02/37/277390237.db2.gz UUALUWQICBWXCW-HNNXBMFYSA-N 2 2 330.472 3.079 10 0 EGAELP CCC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000341292899 278945471 /nfs/dbraw/zinc/94/54/71/278945471.db2.gz YTFIDJIWXBRHKW-ZWKOTPCHSA-N 2 2 346.519 3.250 10 0 EGAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373518400 279175256 /nfs/dbraw/zinc/17/52/56/279175256.db2.gz GUOKINMOWHJHII-LRVUVFPRSA-N 2 2 342.409 3.241 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434105 279397780 /nfs/dbraw/zinc/39/77/80/279397780.db2.gz PPCLXANQPDVCPV-ZWKOTPCHSA-N 2 2 331.504 3.212 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434105 279397781 /nfs/dbraw/zinc/39/77/81/279397781.db2.gz PPCLXANQPDVCPV-ZWKOTPCHSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434105 279397782 /nfs/dbraw/zinc/39/77/82/279397782.db2.gz PPCLXANQPDVCPV-ZWKOTPCHSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434105 279397783 /nfs/dbraw/zinc/39/77/83/279397783.db2.gz PPCLXANQPDVCPV-ZWKOTPCHSA-N 2 2 331.504 3.212 10 0 EGAELP C[NH+](C)CC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000355056293 282075002 /nfs/dbraw/zinc/07/50/02/282075002.db2.gz DLIUGIUTUOKFFT-IBGZPJMESA-N 2 2 342.462 3.417 10 0 EGAELP COc1cc[nH+]c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1OC ZINC000190512542 295421524 /nfs/dbraw/zinc/42/15/24/295421524.db2.gz ZDCPESFTQNVNHH-QGZVFWFLSA-N 2 2 347.503 3.187 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119692959 303057989 /nfs/dbraw/zinc/05/79/89/303057989.db2.gz WHKPXWKOFLQUAP-AZUAARDMSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119692959 303057991 /nfs/dbraw/zinc/05/79/91/303057991.db2.gz WHKPXWKOFLQUAP-AZUAARDMSA-N 2 2 338.499 3.442 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000414065707 309058779 /nfs/dbraw/zinc/05/87/79/309058779.db2.gz OVWPIWRNCJWZKE-INIZCTEOSA-N 2 2 336.439 3.056 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(Br)s2)C[C@@H]1n1cc[nH+]c1 ZINC000294904792 308270023 /nfs/dbraw/zinc/27/00/23/308270023.db2.gz HPZZOWGLILNEHA-PWSUYJOCSA-N 2 2 341.278 3.185 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872000 308369493 /nfs/dbraw/zinc/36/94/93/308369493.db2.gz GGOWZQSDIQEKJP-KXEVLKFVSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872000 308369495 /nfs/dbraw/zinc/36/94/95/308369495.db2.gz GGOWZQSDIQEKJP-KXEVLKFVSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295872000 308369497 /nfs/dbraw/zinc/36/94/97/308369497.db2.gz GGOWZQSDIQEKJP-KXEVLKFVSA-N 3 2 327.516 3.112 10 0 EGAELP Cc1cc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)ncn1 ZINC000301346518 308697303 /nfs/dbraw/zinc/69/73/03/308697303.db2.gz HCPABPPPZAXLIA-UHFFFAOYSA-N 2 2 325.460 3.307 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1C ZINC000414838300 309104856 /nfs/dbraw/zinc/10/48/56/309104856.db2.gz VIUHLCLLTPNZPL-CRAIPNDOSA-N 2 2 325.456 3.310 10 0 EGAELP CCc1ccc(C[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)s1 ZINC000301701751 308711582 /nfs/dbraw/zinc/71/15/82/308711582.db2.gz TULIOCXQHJZDFE-UHFFFAOYSA-N 2 2 330.501 3.348 10 0 EGAELP C[NH+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413235999 309022978 /nfs/dbraw/zinc/02/29/78/309022978.db2.gz GCMHPEMHBUDMAV-LBPRGKRZSA-N 2 2 334.261 3.385 10 0 EGAELP Fc1ccc2nc(C[NH2+]CCC[NH2+]Cc3cccnc3)sc2c1 ZINC000414876328 309106665 /nfs/dbraw/zinc/10/66/65/309106665.db2.gz KPLPXCLEPVRMTP-UHFFFAOYSA-N 2 2 330.432 3.100 10 0 EGAELP CCCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415014724 309114364 /nfs/dbraw/zinc/11/43/64/309114364.db2.gz XFESNLJYLLKLQH-MNOVXSKESA-N 2 2 345.281 3.072 10 0 EGAELP Clc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053754 309116821 /nfs/dbraw/zinc/11/68/21/309116821.db2.gz PBQDDQUWIAQVFC-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053754 309116822 /nfs/dbraw/zinc/11/68/22/309116822.db2.gz PBQDDQUWIAQVFC-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP CC[N@@H+]1CC[C@@H](NCC[NH2+]C(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108861 309120905 /nfs/dbraw/zinc/12/09/05/309120905.db2.gz PHSBTRSJHXSTGK-NVXWUHKLSA-N 2 2 343.437 3.217 10 0 EGAELP CC[N@H+]1CC[C@@H](NCC[NH2+]C(C)(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415108861 309120906 /nfs/dbraw/zinc/12/09/06/309120906.db2.gz PHSBTRSJHXSTGK-NVXWUHKLSA-N 2 2 343.437 3.217 10 0 EGAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@@H]2c2ccccc2)[nH+]1 ZINC000415124488 309122099 /nfs/dbraw/zinc/12/20/99/309122099.db2.gz KIBHEWRYSCTLFC-HXUWFJFHSA-N 2 2 332.451 3.078 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000419258460 309262377 /nfs/dbraw/zinc/26/23/77/309262377.db2.gz BFAOPIJZELWHEH-INIZCTEOSA-N 2 2 329.488 3.237 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]C1CCCCC1)C2 ZINC000419900681 309273082 /nfs/dbraw/zinc/27/30/82/309273082.db2.gz REYJCRODKJBCNF-HNNXBMFYSA-N 2 2 346.519 3.067 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)CC2 ZINC000419900681 309273083 /nfs/dbraw/zinc/27/30/83/309273083.db2.gz REYJCRODKJBCNF-HNNXBMFYSA-N 2 2 346.519 3.067 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420401716 309286498 /nfs/dbraw/zinc/28/64/98/309286498.db2.gz PUZVXIDGWPLJTH-ROUUACIJSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420401716 309286499 /nfs/dbraw/zinc/28/64/99/309286499.db2.gz PUZVXIDGWPLJTH-ROUUACIJSA-N 2 2 329.488 3.014 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420931755 309302271 /nfs/dbraw/zinc/30/22/71/309302271.db2.gz GYKDTKPMQFVTDU-QGZVFWFLSA-N 2 2 331.485 3.216 10 0 EGAELP O[C@H](C[NH2+]C1CC2(C1)CCCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000421336053 309318945 /nfs/dbraw/zinc/31/89/45/309318945.db2.gz VMJSBZQNNVNCQT-HXUWFJFHSA-N 2 2 328.500 3.108 10 0 EGAELP O[C@H](C[NH2+]C1CC2(C1)CCCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000421336053 309318946 /nfs/dbraw/zinc/31/89/46/309318946.db2.gz VMJSBZQNNVNCQT-HXUWFJFHSA-N 2 2 328.500 3.108 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866640 309344266 /nfs/dbraw/zinc/34/42/66/309344266.db2.gz BHBFVYHHRDRXDM-LMMKCTJWSA-N 2 2 345.556 3.415 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866640 309344267 /nfs/dbraw/zinc/34/42/67/309344267.db2.gz BHBFVYHHRDRXDM-LMMKCTJWSA-N 2 2 345.556 3.415 10 0 EGAELP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000422699061 309363717 /nfs/dbraw/zinc/36/37/17/309363717.db2.gz CIHSOCSFPCSADJ-IXDOHACOSA-N 3 2 326.488 3.396 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422705225 309364078 /nfs/dbraw/zinc/36/40/78/309364078.db2.gz BNHCKQITDBSGGU-MSOLQXFVSA-N 2 2 327.403 3.047 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1c[nH+]ccc1N ZINC000422732555 309365648 /nfs/dbraw/zinc/36/56/48/309365648.db2.gz PBDOOSGSFYYFLX-NSHDSACASA-N 2 2 325.334 3.286 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422795679 309368862 /nfs/dbraw/zinc/36/88/62/309368862.db2.gz WBJMBLNRRXNBSK-CQSZACIVSA-N 2 2 335.455 3.207 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422990503 309379790 /nfs/dbraw/zinc/37/97/90/309379790.db2.gz NQQVSFATODHRAL-GTAWCEEGSA-N 2 2 332.488 3.282 10 0 EGAELP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422999638 309380192 /nfs/dbraw/zinc/38/01/92/309380192.db2.gz FOAQSCBCTNUHAI-MOPGFXCFSA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccncc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423011255 309380787 /nfs/dbraw/zinc/38/07/87/309380787.db2.gz IJYFPNCXRJJPOF-UXHICEINSA-N 2 2 325.456 3.024 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423042253 309382682 /nfs/dbraw/zinc/38/26/82/309382682.db2.gz YVFYXSMAAXPZSR-UFYCRDLUSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@H](OC)C(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423075717 309384709 /nfs/dbraw/zinc/38/47/09/309384709.db2.gz XRERNJAISNPOLG-JYJNAYRXSA-N 2 2 346.393 3.045 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000423185237 309389538 /nfs/dbraw/zinc/38/95/38/309389538.db2.gz UUWUUEGZSODPFR-SFHVURJKSA-N 3 2 329.532 3.333 10 0 EGAELP Fc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCC2 ZINC000423233059 309391618 /nfs/dbraw/zinc/39/16/18/309391618.db2.gz NSIAEGXLAQRQRU-GOSISDBHSA-N 2 2 326.419 3.120 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423242516 309391980 /nfs/dbraw/zinc/39/19/80/309391980.db2.gz MCQJCYYELJCCJH-UXHICEINSA-N 2 2 335.455 3.008 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293650 309394366 /nfs/dbraw/zinc/39/43/66/309394366.db2.gz RUXORLAOARHCHD-WWMYMODYSA-N 3 2 338.499 3.102 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293650 309394367 /nfs/dbraw/zinc/39/43/67/309394367.db2.gz RUXORLAOARHCHD-WWMYMODYSA-N 3 2 338.499 3.102 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1Br ZINC000423556128 309406302 /nfs/dbraw/zinc/40/63/02/309406302.db2.gz MLUCSDUIERCDCY-WCQYABFASA-N 2 2 327.266 3.250 10 0 EGAELP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441369582 309869855 /nfs/dbraw/zinc/86/98/55/309869855.db2.gz FBIWIPKRWQAFMP-HKUYNNGSSA-N 2 2 342.487 3.088 10 0 EGAELP COc1ccncc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449341484 310055099 /nfs/dbraw/zinc/05/50/99/310055099.db2.gz UHQSPQTWBOJGDK-KRWDZBQOSA-N 2 2 339.483 3.275 10 0 EGAELP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000449394385 310058481 /nfs/dbraw/zinc/05/84/81/310058481.db2.gz PVULKWXKSOCTTM-QGZVFWFLSA-N 2 2 327.453 3.281 10 0 EGAELP COc1cccnc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449748611 310084156 /nfs/dbraw/zinc/08/41/56/310084156.db2.gz MQQCGCJQVRTLBF-QGZVFWFLSA-N 2 2 339.483 3.275 10 0 EGAELP C[N@H+](C[C@@H](O)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452113374 310213002 /nfs/dbraw/zinc/21/30/02/310213002.db2.gz HNKKGBLXTRRIOU-MRXNPFEDSA-N 2 2 336.442 3.276 10 0 EGAELP C[N@@H+](C[C@@H](O)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452113374 310213003 /nfs/dbraw/zinc/21/30/03/310213003.db2.gz HNKKGBLXTRRIOU-MRXNPFEDSA-N 2 2 336.442 3.276 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)CCOCC1 ZINC000453093083 310257373 /nfs/dbraw/zinc/25/73/73/310257373.db2.gz SMYDWZVMWWRPAE-ROUUACIJSA-N 2 2 326.525 3.061 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277826 310268809 /nfs/dbraw/zinc/26/88/09/310268809.db2.gz YLWICTXURIZNDC-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277826 310268810 /nfs/dbraw/zinc/26/88/10/310268810.db2.gz YLWICTXURIZNDC-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292972 310269381 /nfs/dbraw/zinc/26/93/81/310269381.db2.gz PBDSFLZTMYGXMM-JKSUJKDBSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292972 310269382 /nfs/dbraw/zinc/26/93/82/310269382.db2.gz PBDSFLZTMYGXMM-JKSUJKDBSA-N 2 2 330.447 3.476 10 0 EGAELP COCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332929 310271524 /nfs/dbraw/zinc/27/15/24/310271524.db2.gz CVECDPXASQVTQN-KCXAZCMYSA-N 2 2 330.394 3.323 10 0 EGAELP COCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332929 310271525 /nfs/dbraw/zinc/27/15/25/310271525.db2.gz CVECDPXASQVTQN-KCXAZCMYSA-N 2 2 330.394 3.323 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cncn2)cc1Cl ZINC000453345239 310272266 /nfs/dbraw/zinc/27/22/66/310272266.db2.gz JSLSFCBBPDLXNS-FFHGMXDLSA-N 2 2 345.878 3.197 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cncn2)cc1Cl ZINC000453345239 310272267 /nfs/dbraw/zinc/27/22/67/310272267.db2.gz JSLSFCBBPDLXNS-FFHGMXDLSA-N 2 2 345.878 3.197 10 0 EGAELP C[NH+](C)Cc1csc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000457288312 310446151 /nfs/dbraw/zinc/44/61/51/310446151.db2.gz KCCHUDBMUNIOAY-UHFFFAOYSA-N 2 2 344.484 3.053 10 0 EGAELP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000491056282 311162445 /nfs/dbraw/zinc/16/24/45/311162445.db2.gz IVNFDTZICHFCKZ-IBGZPJMESA-N 2 2 349.563 3.366 10 0 EGAELP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000491056282 311162446 /nfs/dbraw/zinc/16/24/46/311162446.db2.gz IVNFDTZICHFCKZ-IBGZPJMESA-N 2 2 349.563 3.366 10 0 EGAELP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)c2cccs2)CC1 ZINC000494872867 311519115 /nfs/dbraw/zinc/51/91/15/311519115.db2.gz HZMUSAVUCDAOGH-NVXWUHKLSA-N 2 2 349.544 3.168 10 0 EGAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1=O ZINC000514665381 312237455 /nfs/dbraw/zinc/23/74/55/312237455.db2.gz ALFXZEFQGCXFLL-QGZVFWFLSA-N 2 2 344.503 3.004 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000514762333 312243849 /nfs/dbraw/zinc/24/38/49/312243849.db2.gz XXTIQPKIDBSCFG-QWHCGFSZSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000514762333 312243851 /nfs/dbraw/zinc/24/38/51/312243851.db2.gz XXTIQPKIDBSCFG-QWHCGFSZSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)ccc2[nH+]1 ZINC000523424852 312619156 /nfs/dbraw/zinc/61/91/56/312619156.db2.gz ROXYSSIBFMWJDL-UHFFFAOYSA-N 2 2 343.475 3.228 10 0 EGAELP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727299 313157522 /nfs/dbraw/zinc/15/75/22/313157522.db2.gz BLGQKDQOFNGPJQ-QGZVFWFLSA-N 2 2 328.500 3.423 10 0 EGAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1O ZINC000529670763 313383026 /nfs/dbraw/zinc/38/30/26/313383026.db2.gz WTXQXDTVTPCZAT-CRAIPNDOSA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1O ZINC000529670763 313383029 /nfs/dbraw/zinc/38/30/29/313383029.db2.gz WTXQXDTVTPCZAT-CRAIPNDOSA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OCCC(C)C ZINC000530180021 313492005 /nfs/dbraw/zinc/49/20/05/313492005.db2.gz ZXILLIQMIPDQAI-IBGZPJMESA-N 2 2 332.488 3.494 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)c2cc1C ZINC000530236454 313503367 /nfs/dbraw/zinc/50/33/67/313503367.db2.gz SLIIWFIGUMJPBH-ZJPYXAASSA-N 2 2 327.472 3.040 10 0 EGAELP CCC(CC)[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000536399743 314111631 /nfs/dbraw/zinc/11/16/31/314111631.db2.gz JOMUIWKLPWOTQB-KRWDZBQOSA-N 2 2 337.552 3.125 10 0 EGAELP CCC[C@@H](C)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000538608258 314257754 /nfs/dbraw/zinc/25/77/54/314257754.db2.gz FOFBVLKZMWHDAA-OAHLLOKOSA-N 2 2 330.476 3.286 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083047 314295564 /nfs/dbraw/zinc/29/55/64/314295564.db2.gz FVMKLVDQEAECCV-LRDDRELGSA-N 2 2 346.862 3.005 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083047 314295567 /nfs/dbraw/zinc/29/55/67/314295567.db2.gz FVMKLVDQEAECCV-LRDDRELGSA-N 2 2 346.862 3.005 10 0 EGAELP CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551719270 315165192 /nfs/dbraw/zinc/16/51/92/315165192.db2.gz UIPNZBDXOXGQAZ-GOSISDBHSA-N 2 2 340.471 3.061 10 0 EGAELP CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551719270 315165194 /nfs/dbraw/zinc/16/51/94/315165194.db2.gz UIPNZBDXOXGQAZ-GOSISDBHSA-N 2 2 340.471 3.061 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000554360616 315312854 /nfs/dbraw/zinc/31/28/54/315312854.db2.gz IXFJOQNDFVDUIV-WOJBJXKFSA-N 2 2 346.515 3.312 10 0 EGAELP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076469 316110495 /nfs/dbraw/zinc/11/04/95/316110495.db2.gz BKJFQCPVPILRRM-IAQYHMDHSA-N 2 2 329.271 3.025 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076469 316110498 /nfs/dbraw/zinc/11/04/98/316110498.db2.gz BKJFQCPVPILRRM-IAQYHMDHSA-N 2 2 329.271 3.025 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3CCC4(CC4)CC3)c2cc1C ZINC000570569574 317074545 /nfs/dbraw/zinc/07/45/45/317074545.db2.gz NQFKCAFWMDBXKK-KRWDZBQOSA-N 2 2 327.472 3.326 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792646 317109171 /nfs/dbraw/zinc/10/91/71/317109171.db2.gz ZHJIKDGKUKXGNZ-YSIASYRMSA-N 3 2 329.532 3.265 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792646 317109173 /nfs/dbraw/zinc/10/91/73/317109173.db2.gz ZHJIKDGKUKXGNZ-YSIASYRMSA-N 3 2 329.532 3.265 10 0 EGAELP Cc1csc([C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000572762992 317388403 /nfs/dbraw/zinc/38/84/03/317388403.db2.gz AFDMLIJPGSAADO-HUUCEWRRSA-N 2 2 344.484 3.130 10 0 EGAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000389972893 324282173 /nfs/dbraw/zinc/28/21/73/324282173.db2.gz YBUNDBAQYXYRSB-QHAWAJNXSA-N 2 2 338.499 3.332 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@@H](C)C1 ZINC000580008668 325188511 /nfs/dbraw/zinc/18/85/11/325188511.db2.gz VHCLZCVAMPTSED-RDJZCZTQSA-N 2 2 337.508 3.199 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@@H](C)C1 ZINC000580008668 325188516 /nfs/dbraw/zinc/18/85/16/325188516.db2.gz VHCLZCVAMPTSED-RDJZCZTQSA-N 2 2 337.508 3.199 10 0 EGAELP C[C@@]1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000581078054 325328260 /nfs/dbraw/zinc/32/82/60/325328260.db2.gz WYRUFYIVXKUYCF-OAQYLSRUSA-N 2 2 347.466 3.226 10 0 EGAELP C[C@@]1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581078054 325328264 /nfs/dbraw/zinc/32/82/64/325328264.db2.gz WYRUFYIVXKUYCF-OAQYLSRUSA-N 2 2 347.466 3.226 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655866 455219414 /nfs/dbraw/zinc/21/94/14/455219414.db2.gz UCIJCGCHSTVJFF-SJORKVTESA-N 2 2 340.471 3.170 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157685402 455220323 /nfs/dbraw/zinc/22/03/23/455220323.db2.gz VPMRSLMSSYYCGX-ICSRJNTNSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000157685402 455220327 /nfs/dbraw/zinc/22/03/27/455220327.db2.gz VPMRSLMSSYYCGX-ICSRJNTNSA-N 2 2 326.488 3.306 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673706 455224797 /nfs/dbraw/zinc/22/47/97/455224797.db2.gz UEBGKVUNPFZNDF-HUUCEWRRSA-N 2 2 328.460 3.216 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000173345632 455269797 /nfs/dbraw/zinc/26/97/97/455269797.db2.gz VBBDAHYXQJPXTG-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP Cn1cc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495724 460580379 /nfs/dbraw/zinc/58/03/79/460580379.db2.gz PQABDMRVXMNHSO-QZTJIDSGSA-N 2 2 330.451 3.111 10 0 EGAELP Cn1cc([C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495724 460580383 /nfs/dbraw/zinc/58/03/83/460580383.db2.gz PQABDMRVXMNHSO-QZTJIDSGSA-N 2 2 330.451 3.111 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886552 460589910 /nfs/dbraw/zinc/58/99/10/460589910.db2.gz KBAUPDCOFRGLAN-AEFFLSMTSA-N 2 2 329.488 3.131 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886552 460589914 /nfs/dbraw/zinc/58/99/14/460589914.db2.gz KBAUPDCOFRGLAN-AEFFLSMTSA-N 2 2 329.488 3.131 10 0 EGAELP c1cn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c[nH+]1 ZINC000008745075 453230157 /nfs/dbraw/zinc/23/01/57/453230157.db2.gz DTCVRNHBBJFQGM-UHFFFAOYSA-N 2 2 339.468 3.352 10 0 EGAELP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245774739 455377888 /nfs/dbraw/zinc/37/78/88/455377888.db2.gz SLWVFPQCAQDYQJ-HOCLYGCPSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245774739 455377892 /nfs/dbraw/zinc/37/78/92/455377892.db2.gz SLWVFPQCAQDYQJ-HOCLYGCPSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245774739 455377895 /nfs/dbraw/zinc/37/78/95/455377895.db2.gz SLWVFPQCAQDYQJ-HOCLYGCPSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245774739 455377898 /nfs/dbraw/zinc/37/78/98/455377898.db2.gz SLWVFPQCAQDYQJ-HOCLYGCPSA-N 2 2 336.476 3.017 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000040672950 453954116 /nfs/dbraw/zinc/95/41/16/453954116.db2.gz SMRUJWXOVCPGCE-BXUZGUMPSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000040672950 453954118 /nfs/dbraw/zinc/95/41/18/453954118.db2.gz SMRUJWXOVCPGCE-BXUZGUMPSA-N 2 2 344.240 3.036 10 0 EGAELP Cc1cnc(C[N@@H+](C)C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000089702240 454180038 /nfs/dbraw/zinc/18/00/38/454180038.db2.gz OZVFEFYLTCUFOV-IRXDYDNUSA-N 2 2 338.499 3.373 10 0 EGAELP Cc1cnc(C[N@H+](C)C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000089702240 454180041 /nfs/dbraw/zinc/18/00/41/454180041.db2.gz OZVFEFYLTCUFOV-IRXDYDNUSA-N 2 2 338.499 3.373 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089725166 454183867 /nfs/dbraw/zinc/18/38/67/454183867.db2.gz UTJGZXPPCRDTOB-HNNXBMFYSA-N 2 2 337.471 3.496 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000058325227 454185872 /nfs/dbraw/zinc/18/58/72/454185872.db2.gz WZIDGWOEZNVASW-UHFFFAOYSA-N 2 2 340.471 3.237 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942503 454226837 /nfs/dbraw/zinc/22/68/37/454226837.db2.gz GTNXWZYYLHVYLC-PZJWPPBQSA-N 3 2 341.543 3.471 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000120602128 454324084 /nfs/dbraw/zinc/32/40/84/454324084.db2.gz RZJFLFUVPMLICS-AWEZNQCLSA-N 2 2 333.457 3.131 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)OC)C1 ZINC000120602128 454324088 /nfs/dbraw/zinc/32/40/88/454324088.db2.gz RZJFLFUVPMLICS-AWEZNQCLSA-N 2 2 333.457 3.131 10 0 EGAELP Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc(-c2ccncc2)[nH+]1 ZINC000132636484 454352959 /nfs/dbraw/zinc/35/29/59/454352959.db2.gz CMNDDTKPPBBHNS-INIZCTEOSA-N 2 2 348.454 3.040 10 0 EGAELP COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000121365752 454426424 /nfs/dbraw/zinc/42/64/24/454426424.db2.gz VZKJBLUAHPAHOY-HNNXBMFYSA-N 2 2 341.455 3.418 10 0 EGAELP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000134182288 454512891 /nfs/dbraw/zinc/51/28/91/454512891.db2.gz QDAJRTSPXHLZHG-QGZVFWFLSA-N 2 2 345.487 3.168 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000134182288 454512895 /nfs/dbraw/zinc/51/28/95/454512895.db2.gz QDAJRTSPXHLZHG-QGZVFWFLSA-N 2 2 345.487 3.168 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000134182069 454513261 /nfs/dbraw/zinc/51/32/61/454513261.db2.gz QDAJRTSPXHLZHG-KRWDZBQOSA-N 2 2 345.487 3.168 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000134182069 454513263 /nfs/dbraw/zinc/51/32/63/454513263.db2.gz QDAJRTSPXHLZHG-KRWDZBQOSA-N 2 2 345.487 3.168 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000134901325 454605200 /nfs/dbraw/zinc/60/52/00/454605200.db2.gz FJHWEPDPSGHZLL-UZLBHIALSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000134901325 454605206 /nfs/dbraw/zinc/60/52/06/454605206.db2.gz FJHWEPDPSGHZLL-UZLBHIALSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccccc12 ZINC000134901325 454605213 /nfs/dbraw/zinc/60/52/13/454605213.db2.gz FJHWEPDPSGHZLL-UZLBHIALSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000134901325 454605219 /nfs/dbraw/zinc/60/52/19/454605219.db2.gz FJHWEPDPSGHZLL-UZLBHIALSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812485 454638886 /nfs/dbraw/zinc/63/88/86/454638886.db2.gz ALTNJLASMJXTGD-OAHLLOKOSA-N 2 2 337.427 3.307 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812485 454638898 /nfs/dbraw/zinc/63/88/98/454638898.db2.gz ALTNJLASMJXTGD-OAHLLOKOSA-N 2 2 337.427 3.307 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000081095993 454685383 /nfs/dbraw/zinc/68/53/83/454685383.db2.gz VWPQTSZMZGRLJS-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000081095993 454685386 /nfs/dbraw/zinc/68/53/86/454685386.db2.gz VWPQTSZMZGRLJS-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000081095993 454685392 /nfs/dbraw/zinc/68/53/92/454685392.db2.gz VWPQTSZMZGRLJS-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000081095993 454685394 /nfs/dbraw/zinc/68/53/94/454685394.db2.gz VWPQTSZMZGRLJS-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644997 454727556 /nfs/dbraw/zinc/72/75/56/454727556.db2.gz WGHOHOYJHKVZME-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644997 454727561 /nfs/dbraw/zinc/72/75/61/454727561.db2.gz WGHOHOYJHKVZME-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644997 454727566 /nfs/dbraw/zinc/72/75/66/454727566.db2.gz WGHOHOYJHKVZME-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644997 454727571 /nfs/dbraw/zinc/72/75/71/454727571.db2.gz WGHOHOYJHKVZME-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753228 454732213 /nfs/dbraw/zinc/73/22/13/454732213.db2.gz QWQPIIKIYWJHLI-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753228 454732216 /nfs/dbraw/zinc/73/22/16/454732216.db2.gz QWQPIIKIYWJHLI-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753228 454732221 /nfs/dbraw/zinc/73/22/21/454732221.db2.gz QWQPIIKIYWJHLI-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093753228 454732226 /nfs/dbraw/zinc/73/22/26/454732226.db2.gz QWQPIIKIYWJHLI-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152972380 454748285 /nfs/dbraw/zinc/74/82/85/454748285.db2.gz JVPLRZNIKDNFEK-TZIWHRDSSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152972380 454748287 /nfs/dbraw/zinc/74/82/87/454748287.db2.gz JVPLRZNIKDNFEK-TZIWHRDSSA-N 2 2 338.499 3.442 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1C ZINC000177007929 454811369 /nfs/dbraw/zinc/81/13/69/454811369.db2.gz ZZWFUVYNCQFHFS-GOEBONIOSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@H+]1C ZINC000177007929 454811371 /nfs/dbraw/zinc/81/13/71/454811371.db2.gz ZZWFUVYNCQFHFS-GOEBONIOSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007929 454811373 /nfs/dbraw/zinc/81/13/73/454811373.db2.gz ZZWFUVYNCQFHFS-GOEBONIOSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007929 454811375 /nfs/dbraw/zinc/81/13/75/454811375.db2.gz ZZWFUVYNCQFHFS-GOEBONIOSA-N 2 2 335.517 3.375 10 0 EGAELP Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177088678 454821797 /nfs/dbraw/zinc/82/17/97/454821797.db2.gz OCCKWQXSQGEMDZ-MRXNPFEDSA-N 2 2 339.468 3.412 10 0 EGAELP Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177088678 454821799 /nfs/dbraw/zinc/82/17/99/454821799.db2.gz OCCKWQXSQGEMDZ-MRXNPFEDSA-N 2 2 339.468 3.412 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000163424697 454846209 /nfs/dbraw/zinc/84/62/09/454846209.db2.gz QMXPQPQMDDGDHJ-ZFWWWQNUSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000163424697 454846213 /nfs/dbraw/zinc/84/62/13/454846213.db2.gz QMXPQPQMDDGDHJ-ZFWWWQNUSA-N 2 2 328.403 3.049 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000163458139 454849607 /nfs/dbraw/zinc/84/96/07/454849607.db2.gz WUFHMKGNWPVTKZ-QGZVFWFLSA-N 2 2 342.491 3.127 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000163458139 454849612 /nfs/dbraw/zinc/84/96/12/454849612.db2.gz WUFHMKGNWPVTKZ-QGZVFWFLSA-N 2 2 342.491 3.127 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355102 455495695 /nfs/dbraw/zinc/49/56/95/455495695.db2.gz WUKJVSDTSAQWGM-RBUKOAKNSA-N 2 2 327.472 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355102 455495700 /nfs/dbraw/zinc/49/57/00/455495700.db2.gz WUKJVSDTSAQWGM-RBUKOAKNSA-N 2 2 327.472 3.076 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000151316257 454968416 /nfs/dbraw/zinc/96/84/16/454968416.db2.gz JKPIWFVVRXPSBP-GOEBONIOSA-N 2 2 342.430 3.176 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000151334276 454970215 /nfs/dbraw/zinc/97/02/15/454970215.db2.gz LEFGCRVTLABLEP-NVXWUHKLSA-N 2 2 345.512 3.308 10 0 EGAELP Cc1cc(NC2CCC(C[NH+](C)C)CC2)nc(-c2cccnc2)[nH+]1 ZINC000128128040 455027718 /nfs/dbraw/zinc/02/77/18/455027718.db2.gz JKVNNOIEYHFZJH-UHFFFAOYSA-N 2 2 325.460 3.379 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237414842 455183240 /nfs/dbraw/zinc/18/32/40/455183240.db2.gz MTITWACGSOFAEA-OAHLLOKOSA-N 2 2 349.906 3.207 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000180569868 455199388 /nfs/dbraw/zinc/19/93/88/455199388.db2.gz DFGAKRZIVZWYHV-NVXWUHKLSA-N 2 2 325.460 3.146 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190483281 455329185 /nfs/dbraw/zinc/32/91/85/455329185.db2.gz ZGIAGMUHQMNNQI-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190483281 455329188 /nfs/dbraw/zinc/32/91/88/455329188.db2.gz ZGIAGMUHQMNNQI-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190483281 455329191 /nfs/dbraw/zinc/32/91/91/455329191.db2.gz ZGIAGMUHQMNNQI-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190483281 455329195 /nfs/dbraw/zinc/32/91/95/455329195.db2.gz ZGIAGMUHQMNNQI-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP c1c[nH+]c(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)[nH]1 ZINC000265461931 455329760 /nfs/dbraw/zinc/32/97/60/455329760.db2.gz FYBXWDAOMISXDK-UHFFFAOYSA-N 2 2 337.427 3.272 10 0 EGAELP COCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490319 455331628 /nfs/dbraw/zinc/33/16/28/455331628.db2.gz FMJQLGLMSXEILI-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490319 455331631 /nfs/dbraw/zinc/33/16/31/455331631.db2.gz FMJQLGLMSXEILI-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490319 455331635 /nfs/dbraw/zinc/33/16/35/455331635.db2.gz FMJQLGLMSXEILI-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490319 455331640 /nfs/dbraw/zinc/33/16/40/455331640.db2.gz FMJQLGLMSXEILI-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]c3ccccc23)nc[nH+]1 ZINC000174731058 455412981 /nfs/dbraw/zinc/41/29/81/455412981.db2.gz PFAXVNOGQGASEC-CQSZACIVSA-N 2 2 334.427 3.147 10 0 EGAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]c3ccccc23)[nH+]cn1 ZINC000174731058 455412985 /nfs/dbraw/zinc/41/29/85/455412985.db2.gz PFAXVNOGQGASEC-CQSZACIVSA-N 2 2 334.427 3.147 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266740577 455445234 /nfs/dbraw/zinc/44/52/34/455445234.db2.gz LUDRNIXOUGRMSP-UHFFFAOYSA-N 2 2 327.428 3.391 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266748579 455447382 /nfs/dbraw/zinc/44/73/82/455447382.db2.gz NOJOBPGOTRHFJL-AWEZNQCLSA-N 2 2 337.427 3.324 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000246459873 455493021 /nfs/dbraw/zinc/49/30/21/455493021.db2.gz FJHWEPDPSGHZLL-JXFKEZNVSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000246459873 455493028 /nfs/dbraw/zinc/49/30/28/455493028.db2.gz FJHWEPDPSGHZLL-JXFKEZNVSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccc12 ZINC000246459873 455493032 /nfs/dbraw/zinc/49/30/32/455493032.db2.gz FJHWEPDPSGHZLL-JXFKEZNVSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000246459873 455493035 /nfs/dbraw/zinc/49/30/35/455493035.db2.gz FJHWEPDPSGHZLL-JXFKEZNVSA-N 2 2 336.483 3.387 10 0 EGAELP COc1ccc(C[C@@H](C)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000185316265 455538055 /nfs/dbraw/zinc/53/80/55/455538055.db2.gz CDAWVPBGCPFZPJ-OAHLLOKOSA-N 2 2 341.430 3.493 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247028113 455547085 /nfs/dbraw/zinc/54/70/85/455547085.db2.gz UUJAMNNYLQIBEH-MAUKXSAKSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247028113 455547088 /nfs/dbraw/zinc/54/70/88/455547088.db2.gz UUJAMNNYLQIBEH-MAUKXSAKSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247028113 455547090 /nfs/dbraw/zinc/54/70/90/455547090.db2.gz UUJAMNNYLQIBEH-MAUKXSAKSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247028113 455547093 /nfs/dbraw/zinc/54/70/93/455547093.db2.gz UUJAMNNYLQIBEH-MAUKXSAKSA-N 2 2 331.504 3.164 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247033447 455547878 /nfs/dbraw/zinc/54/78/78/455547878.db2.gz MILNEADOVQMODD-SJLPKXTDSA-N 2 2 342.487 3.134 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247033447 455547884 /nfs/dbraw/zinc/54/78/84/455547884.db2.gz MILNEADOVQMODD-SJLPKXTDSA-N 2 2 342.487 3.134 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247478149 455608325 /nfs/dbraw/zinc/60/83/25/455608325.db2.gz JWRWLMWVVWUTSE-YQVWRLOYSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247478149 455608328 /nfs/dbraw/zinc/60/83/28/455608328.db2.gz JWRWLMWVVWUTSE-YQVWRLOYSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247478149 455608332 /nfs/dbraw/zinc/60/83/32/455608332.db2.gz JWRWLMWVVWUTSE-YQVWRLOYSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247478149 455608335 /nfs/dbraw/zinc/60/83/35/455608335.db2.gz JWRWLMWVVWUTSE-YQVWRLOYSA-N 2 2 331.504 3.059 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000247578366 455627406 /nfs/dbraw/zinc/62/74/06/455627406.db2.gz IBEYMIAJLHXCOY-PBHICJAKSA-N 2 2 344.434 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000247578366 455627409 /nfs/dbraw/zinc/62/74/09/455627409.db2.gz IBEYMIAJLHXCOY-PBHICJAKSA-N 2 2 344.434 3.249 10 0 EGAELP CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCCC1 ZINC000185903539 455647899 /nfs/dbraw/zinc/64/78/99/455647899.db2.gz WEIJFVFJXZZQHT-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284292811 455663930 /nfs/dbraw/zinc/66/39/30/455663930.db2.gz OAULBXNIBJAPTL-RXVVDRJESA-N 2 2 334.467 3.151 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284292811 455663933 /nfs/dbraw/zinc/66/39/33/455663933.db2.gz OAULBXNIBJAPTL-RXVVDRJESA-N 2 2 334.467 3.151 10 0 EGAELP CCC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccnc1 ZINC000185992062 455669875 /nfs/dbraw/zinc/66/98/75/455669875.db2.gz BRUUOSLUQFEGRN-SJORKVTESA-N 2 2 340.475 3.013 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895067 455721729 /nfs/dbraw/zinc/72/17/29/455721729.db2.gz ARVQBOHEEHUCCW-HZEGPAAWSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895067 455721734 /nfs/dbraw/zinc/72/17/34/455721734.db2.gz ARVQBOHEEHUCCW-HZEGPAAWSA-N 3 2 329.532 3.359 10 0 EGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000284817923 455747533 /nfs/dbraw/zinc/74/75/33/455747533.db2.gz AJEVLSUKASSQCV-CVEARBPZSA-N 2 2 332.410 3.046 10 0 EGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000284817923 455747540 /nfs/dbraw/zinc/74/75/40/455747540.db2.gz AJEVLSUKASSQCV-CVEARBPZSA-N 2 2 332.410 3.046 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1cccs1 ZINC000249649835 455766234 /nfs/dbraw/zinc/76/62/34/455766234.db2.gz USBPFLUTOCMIHE-WMLDXEAASA-N 2 2 347.532 3.267 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1cccs1 ZINC000249649835 455766239 /nfs/dbraw/zinc/76/62/39/455766239.db2.gz USBPFLUTOCMIHE-WMLDXEAASA-N 2 2 347.532 3.267 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCS2 ZINC000187050325 455866636 /nfs/dbraw/zinc/86/66/36/455866636.db2.gz KJIHADOUEXXXRJ-AEFFLSMTSA-N 2 2 334.529 3.277 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000285906187 455938813 /nfs/dbraw/zinc/93/88/13/455938813.db2.gz CXVWQERVCGOBSD-AZUAARDMSA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000285906187 455938815 /nfs/dbraw/zinc/93/88/15/455938815.db2.gz CXVWQERVCGOBSD-AZUAARDMSA-N 2 2 325.456 3.058 10 0 EGAELP CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2C1 ZINC000272438941 455951840 /nfs/dbraw/zinc/95/18/40/455951840.db2.gz PAFRBELDMSBRAQ-UHFFFAOYSA-N 2 2 347.422 3.245 10 0 EGAELP CCC[N@H+]1Cc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2C1 ZINC000272438941 455951842 /nfs/dbraw/zinc/95/18/42/455951842.db2.gz PAFRBELDMSBRAQ-UHFFFAOYSA-N 2 2 347.422 3.245 10 0 EGAELP CCCCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516338 455977101 /nfs/dbraw/zinc/97/71/01/455977101.db2.gz ZETYWFVIQILXNH-HNNXBMFYSA-N 2 2 329.448 3.050 10 0 EGAELP CCCCc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516338 455977102 /nfs/dbraw/zinc/97/71/02/455977102.db2.gz ZETYWFVIQILXNH-HNNXBMFYSA-N 2 2 329.448 3.050 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261989325 455982992 /nfs/dbraw/zinc/98/29/92/455982992.db2.gz KDNKZIGHVJJPGL-RTBURBONSA-N 2 2 337.458 3.033 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261989325 455982998 /nfs/dbraw/zinc/98/29/98/455982998.db2.gz KDNKZIGHVJJPGL-RTBURBONSA-N 2 2 337.458 3.033 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000301545341 456142346 /nfs/dbraw/zinc/14/23/46/456142346.db2.gz WMIKHYPUJHYHHU-BETUJISGSA-N 2 2 332.835 3.356 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000297296153 456176213 /nfs/dbraw/zinc/17/62/13/456176213.db2.gz AZVDTZXPVZEGAA-IBGZPJMESA-N 2 2 341.480 3.260 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000297296153 456176220 /nfs/dbraw/zinc/17/62/20/456176220.db2.gz AZVDTZXPVZEGAA-IBGZPJMESA-N 2 2 341.480 3.260 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000297404349 456211849 /nfs/dbraw/zinc/21/18/49/456211849.db2.gz KTAGLHSLRZUDDD-IBGZPJMESA-N 2 2 349.482 3.121 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000297404349 456211856 /nfs/dbraw/zinc/21/18/56/456211856.db2.gz KTAGLHSLRZUDDD-IBGZPJMESA-N 2 2 349.482 3.121 10 0 EGAELP CCc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000302048514 456275635 /nfs/dbraw/zinc/27/56/35/456275635.db2.gz MHFDVRVEVPIVIG-CJNGLKHVSA-N 2 2 346.500 3.283 10 0 EGAELP CCc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000302048514 456275637 /nfs/dbraw/zinc/27/56/37/456275637.db2.gz MHFDVRVEVPIVIG-CJNGLKHVSA-N 2 2 346.500 3.283 10 0 EGAELP Cc1ccc2[nH+]ccc(N3CCN(C4=[NH+]C[C@H](C)S4)CC3)c2c1 ZINC000302169156 456306364 /nfs/dbraw/zinc/30/63/64/456306364.db2.gz TVRZAXLRVGLHAY-AWEZNQCLSA-N 2 2 326.469 3.157 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000276179720 456406368 /nfs/dbraw/zinc/40/63/68/456406368.db2.gz GLXHCWWLAYGEGC-OAHLLOKOSA-N 2 2 336.443 3.041 10 0 EGAELP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc2[nH+]ccn2c1 ZINC000337712351 456499217 /nfs/dbraw/zinc/49/92/17/456499217.db2.gz FMAFZBPTWPQQJU-UHFFFAOYSA-N 2 2 340.471 3.110 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777467 462263621 /nfs/dbraw/zinc/26/36/21/462263621.db2.gz QVEIBWLUZJFRLM-NVXWUHKLSA-N 2 2 338.442 3.352 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777467 462263627 /nfs/dbraw/zinc/26/36/27/462263627.db2.gz QVEIBWLUZJFRLM-NVXWUHKLSA-N 2 2 338.442 3.352 10 0 EGAELP Cc1ccncc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000340593756 456555523 /nfs/dbraw/zinc/55/55/23/456555523.db2.gz GPOIXLFFXBXYLM-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000337986176 456639154 /nfs/dbraw/zinc/63/91/54/456639154.db2.gz BBLOOKYQAQTPGJ-NHCUHLMSSA-N 2 2 344.499 3.066 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505315 456666137 /nfs/dbraw/zinc/66/61/37/456666137.db2.gz DEVFWZKWOUIVDL-HNAYVOBHSA-N 2 2 327.472 3.246 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505315 456666139 /nfs/dbraw/zinc/66/61/39/456666139.db2.gz DEVFWZKWOUIVDL-HNAYVOBHSA-N 2 2 327.472 3.246 10 0 EGAELP Fc1ccc(/C=C/C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328621468 456721794 /nfs/dbraw/zinc/72/17/94/456721794.db2.gz ANACYJUMLVUTBS-NLJSWGTCSA-N 2 2 325.431 3.346 10 0 EGAELP Fc1ccc(/C=C/C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328621468 456721798 /nfs/dbraw/zinc/72/17/98/456721798.db2.gz ANACYJUMLVUTBS-NLJSWGTCSA-N 2 2 325.431 3.346 10 0 EGAELP CCC[NH+]1CCC(CNc2cc(C)[nH+]c(-c3cccnc3)n2)CC1 ZINC000301135570 456805143 /nfs/dbraw/zinc/80/51/43/456805143.db2.gz ZWIBFZSDDRZRKV-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1noc([C@@H]2CN(c3c(C)c(C)[nH+]c4ccccc43)CC[N@H+]2C)n1 ZINC000328991268 456808472 /nfs/dbraw/zinc/80/84/72/456808472.db2.gz SIUGYTJWAJYKBI-KRWDZBQOSA-N 2 2 337.427 3.036 10 0 EGAELP Cc1noc([C@@H]2CN(c3c(C)c(C)[nH+]c4ccccc43)CC[N@@H+]2C)n1 ZINC000328991268 456808474 /nfs/dbraw/zinc/80/84/74/456808474.db2.gz SIUGYTJWAJYKBI-KRWDZBQOSA-N 2 2 337.427 3.036 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052383 456842119 /nfs/dbraw/zinc/84/21/19/456842119.db2.gz BSVHLLLIYSSITC-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052383 456842122 /nfs/dbraw/zinc/84/21/22/456842122.db2.gz BSVHLLLIYSSITC-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292052383 456842127 /nfs/dbraw/zinc/84/21/27/456842127.db2.gz BSVHLLLIYSSITC-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292052383 456842130 /nfs/dbraw/zinc/84/21/30/456842130.db2.gz BSVHLLLIYSSITC-KDOFPFPSSA-N 2 2 335.879 3.003 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341695095 456903718 /nfs/dbraw/zinc/90/37/18/456903718.db2.gz BTHFBTKINDOICA-DOTOQJQBSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341695095 456903719 /nfs/dbraw/zinc/90/37/19/456903719.db2.gz BTHFBTKINDOICA-DOTOQJQBSA-N 2 2 338.879 3.254 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000345165075 456950108 /nfs/dbraw/zinc/95/01/08/456950108.db2.gz PLKHXQCTBJMNEF-MJVIPROJSA-N 2 2 327.266 3.058 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000345165075 456950111 /nfs/dbraw/zinc/95/01/11/456950111.db2.gz PLKHXQCTBJMNEF-MJVIPROJSA-N 2 2 327.266 3.058 10 0 EGAELP Clc1cnn([C@@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000356530416 457038711 /nfs/dbraw/zinc/03/87/11/457038711.db2.gz RVMXGIKMHRLUQY-CYBMUJFWSA-N 2 2 333.848 3.231 10 0 EGAELP Clc1cnn([C@@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000356530416 457038715 /nfs/dbraw/zinc/03/87/15/457038715.db2.gz RVMXGIKMHRLUQY-CYBMUJFWSA-N 2 2 333.848 3.231 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095995 457059333 /nfs/dbraw/zinc/05/93/33/457059333.db2.gz GJYKEHASVDBIFC-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095995 457059337 /nfs/dbraw/zinc/05/93/37/457059337.db2.gz GJYKEHASVDBIFC-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095995 457059340 /nfs/dbraw/zinc/05/93/40/457059340.db2.gz GJYKEHASVDBIFC-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095995 457059343 /nfs/dbraw/zinc/05/93/43/457059343.db2.gz GJYKEHASVDBIFC-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP CC[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360175447 457289287 /nfs/dbraw/zinc/28/92/87/457289287.db2.gz UWBGSVFPOAYNQT-PBHICJAKSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360175447 457289293 /nfs/dbraw/zinc/28/92/93/457289293.db2.gz UWBGSVFPOAYNQT-PBHICJAKSA-N 2 2 336.361 3.450 10 0 EGAELP Cc1cc(NCCCCC[NH+]2CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000347311170 457346809 /nfs/dbraw/zinc/34/68/09/457346809.db2.gz PDORGJVMADXXMG-UHFFFAOYSA-N 2 2 339.487 3.337 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198866 457519707 /nfs/dbraw/zinc/51/97/07/457519707.db2.gz UEFLELMFVNBEOW-UHFFFAOYSA-N 2 2 340.471 3.026 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374198866 457519716 /nfs/dbraw/zinc/51/97/16/457519716.db2.gz UEFLELMFVNBEOW-UHFFFAOYSA-N 2 2 340.471 3.026 10 0 EGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000374199914 457520015 /nfs/dbraw/zinc/52/00/15/457520015.db2.gz MSDHKQQHYQPQSU-CYBMUJFWSA-N 2 2 346.862 3.120 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209917 457523141 /nfs/dbraw/zinc/52/31/41/457523141.db2.gz RWWPDAQYGLXQHO-IBGZPJMESA-N 2 2 340.471 3.199 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374209917 457523146 /nfs/dbraw/zinc/52/31/46/457523146.db2.gz RWWPDAQYGLXQHO-IBGZPJMESA-N 2 2 340.471 3.199 10 0 EGAELP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000342806389 457536765 /nfs/dbraw/zinc/53/67/65/457536765.db2.gz QHCYRLJTPVOOOP-QGZVFWFLSA-N 2 2 347.409 3.437 10 0 EGAELP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000342806389 457536774 /nfs/dbraw/zinc/53/67/74/457536774.db2.gz QHCYRLJTPVOOOP-QGZVFWFLSA-N 2 2 347.409 3.437 10 0 EGAELP c1cn2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2s1 ZINC000374319610 457583574 /nfs/dbraw/zinc/58/35/74/457583574.db2.gz ABROYATWGMTRIM-AWEZNQCLSA-N 2 2 341.484 3.308 10 0 EGAELP c1cn2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2s1 ZINC000374319610 457583580 /nfs/dbraw/zinc/58/35/80/457583580.db2.gz ABROYATWGMTRIM-AWEZNQCLSA-N 2 2 341.484 3.308 10 0 EGAELP CC(=O)N1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000361319747 457691348 /nfs/dbraw/zinc/69/13/48/457691348.db2.gz WVOQGAOTZOFACC-MRXNPFEDSA-N 2 2 342.487 3.068 10 0 EGAELP CC(=O)N1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000361319747 457691353 /nfs/dbraw/zinc/69/13/53/457691353.db2.gz WVOQGAOTZOFACC-MRXNPFEDSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000361336922 457697989 /nfs/dbraw/zinc/69/79/89/457697989.db2.gz SOSKYCJWWGEANC-SJORKVTESA-N 2 2 342.487 3.149 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000361336919 457698275 /nfs/dbraw/zinc/69/82/75/457698275.db2.gz SOSKYCJWWGEANC-IAGOWNOFSA-N 2 2 342.487 3.149 10 0 EGAELP Cc1ccc(C[N@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000361521115 457768455 /nfs/dbraw/zinc/76/84/55/457768455.db2.gz YSDKRBANADPCIH-UHFFFAOYSA-N 2 2 325.412 3.077 10 0 EGAELP Cc1ccc(C[N@@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000361521115 457768460 /nfs/dbraw/zinc/76/84/60/457768460.db2.gz YSDKRBANADPCIH-UHFFFAOYSA-N 2 2 325.412 3.077 10 0 EGAELP CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371476363 457952658 /nfs/dbraw/zinc/95/26/58/457952658.db2.gz BFOHDBMTJQYFAX-QUCCMNQESA-N 2 2 326.488 3.431 10 0 EGAELP CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371476363 457952663 /nfs/dbraw/zinc/95/26/63/457952663.db2.gz BFOHDBMTJQYFAX-QUCCMNQESA-N 2 2 326.488 3.431 10 0 EGAELP CCOC(=O)CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000434615798 458022101 /nfs/dbraw/zinc/02/21/01/458022101.db2.gz GBHJBMJRDRSMNL-UHFFFAOYSA-N 2 2 327.428 3.228 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366566 458345775 /nfs/dbraw/zinc/34/57/75/458345775.db2.gz BEHLCQNDVNKITN-QAPCUYQASA-N 2 2 340.471 3.011 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366566 458345779 /nfs/dbraw/zinc/34/57/79/458345779.db2.gz BEHLCQNDVNKITN-QAPCUYQASA-N 2 2 340.471 3.011 10 0 EGAELP OC1CCC2(CC1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459490542 458390332 /nfs/dbraw/zinc/39/03/32/458390332.db2.gz SJZNAHAGPYLYES-IBGZPJMESA-N 2 2 328.500 3.278 10 0 EGAELP OC1CCC2(CC1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000459490542 458390335 /nfs/dbraw/zinc/39/03/35/458390335.db2.gz SJZNAHAGPYLYES-IBGZPJMESA-N 2 2 328.500 3.278 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798993 458532169 /nfs/dbraw/zinc/53/21/69/458532169.db2.gz PJZFBCINQYOTBY-CZUORRHYSA-N 2 2 341.459 3.148 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798993 458532174 /nfs/dbraw/zinc/53/21/74/458532174.db2.gz PJZFBCINQYOTBY-CZUORRHYSA-N 2 2 341.459 3.148 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438191065 458546847 /nfs/dbraw/zinc/54/68/47/458546847.db2.gz PNZYHQDBJVPTIQ-UHFFFAOYSA-N 2 2 334.504 3.325 10 0 EGAELP c1c(CC[NH2+]C2CC(OCc3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000493917519 458601179 /nfs/dbraw/zinc/60/11/79/458601179.db2.gz RPTBGTQGGCOVTP-UHFFFAOYSA-N 2 2 325.456 3.099 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432242478 458703911 /nfs/dbraw/zinc/70/39/11/458703911.db2.gz KWNASCAAAXXSOU-LBPRGKRZSA-N 2 2 335.250 3.333 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432242478 458703914 /nfs/dbraw/zinc/70/39/14/458703914.db2.gz KWNASCAAAXXSOU-LBPRGKRZSA-N 2 2 335.250 3.333 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432242477 458704076 /nfs/dbraw/zinc/70/40/76/458704076.db2.gz KWNASCAAAXXSOU-GFCCVEGCSA-N 2 2 335.250 3.333 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432242477 458704081 /nfs/dbraw/zinc/70/40/81/458704081.db2.gz KWNASCAAAXXSOU-GFCCVEGCSA-N 2 2 335.250 3.333 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217486 458719160 /nfs/dbraw/zinc/71/91/60/458719160.db2.gz TVMJBKUECOKYGA-VQTJNVASSA-N 2 2 337.467 3.248 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242024 458728147 /nfs/dbraw/zinc/72/81/47/458728147.db2.gz GGJNKFKMHYLKNU-VXKWHMMOSA-N 2 2 338.495 3.350 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242024 458728151 /nfs/dbraw/zinc/72/81/51/458728151.db2.gz GGJNKFKMHYLKNU-VXKWHMMOSA-N 2 2 338.495 3.350 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000518358540 458861474 /nfs/dbraw/zinc/86/14/74/458861474.db2.gz UXEDYDZACQGUIT-GOSISDBHSA-N 2 2 349.438 3.039 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000518358540 458861476 /nfs/dbraw/zinc/86/14/76/458861476.db2.gz UXEDYDZACQGUIT-GOSISDBHSA-N 2 2 349.438 3.039 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441370131 458929295 /nfs/dbraw/zinc/92/92/95/458929295.db2.gz GLYWHOCIODIHPD-YQVWRLOYSA-N 2 2 342.487 3.134 10 0 EGAELP Cc1[nH]c2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)cc2[nH+]1 ZINC000531930880 459002047 /nfs/dbraw/zinc/00/20/47/459002047.db2.gz PABHLOCZHHVHGQ-UHFFFAOYSA-N 2 2 349.438 3.430 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000519773109 459002776 /nfs/dbraw/zinc/00/27/76/459002776.db2.gz KDMLXVQCGOVEOZ-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000519773109 459002781 /nfs/dbraw/zinc/00/27/81/459002781.db2.gz KDMLXVQCGOVEOZ-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000594956825 459191752 /nfs/dbraw/zinc/19/17/52/459191752.db2.gz OHFWESAROIERII-OWYHZJEWSA-N 2 2 341.455 3.028 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482238526 459298438 /nfs/dbraw/zinc/29/84/38/459298438.db2.gz MKJSMYWVODCUGF-NRFANRHFSA-N 2 2 338.495 3.317 10 0 EGAELP c1cc(C[N@H+](Cc2ccccc2)Cc2ccc3c(c2)C[NH2+]CC3)n[nH]1 ZINC000569228582 459417710 /nfs/dbraw/zinc/41/77/10/459417710.db2.gz DLKUINUSUBWCLX-UHFFFAOYSA-N 2 2 332.451 3.258 10 0 EGAELP c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc3c(c2)C[NH2+]CC3)n[nH]1 ZINC000569228582 459417713 /nfs/dbraw/zinc/41/77/13/459417713.db2.gz DLKUINUSUBWCLX-UHFFFAOYSA-N 2 2 332.451 3.258 10 0 EGAELP CC[NH+](CC)Cc1ccccc1CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596063219 459506840 /nfs/dbraw/zinc/50/68/40/459506840.db2.gz IVOQFJKQDCXFDW-UHFFFAOYSA-N 2 2 341.455 3.251 10 0 EGAELP CCOC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000542005677 459519143 /nfs/dbraw/zinc/51/91/43/459519143.db2.gz DWGGFEDYILKUHI-LJQANCHMSA-N 2 2 332.488 3.350 10 0 EGAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@@H+]1C ZINC000583616627 459568825 /nfs/dbraw/zinc/56/88/25/459568825.db2.gz USXDRRBFGWWFOS-OXJNMPFZSA-N 2 2 337.471 3.074 10 0 EGAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@H+]1C ZINC000583616627 459568833 /nfs/dbraw/zinc/56/88/33/459568833.db2.gz USXDRRBFGWWFOS-OXJNMPFZSA-N 2 2 337.471 3.074 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000584050014 459642215 /nfs/dbraw/zinc/64/22/15/459642215.db2.gz FDTYPYYUODTBIU-RTBURBONSA-N 2 2 331.410 3.246 10 0 EGAELP CCOc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)cc1OC ZINC000527698816 459706241 /nfs/dbraw/zinc/70/62/41/459706241.db2.gz DRWVBLVJIHGUIU-UHFFFAOYSA-N 2 2 338.467 3.445 10 0 EGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(F)c(Br)cc1F ZINC000527907151 459770952 /nfs/dbraw/zinc/77/09/52/459770952.db2.gz CBVJIQZTCQAEBG-SECBINFHSA-N 2 2 344.203 3.354 10 0 EGAELP Cc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000574249560 459796099 /nfs/dbraw/zinc/79/60/99/459796099.db2.gz DNTJEGGCVSLUFG-JOCHJYFZSA-N 2 2 338.495 3.325 10 0 EGAELP CC(C)C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000585121093 459827007 /nfs/dbraw/zinc/82/70/07/459827007.db2.gz FVEKNTGCRFHUMA-SFHVURJKSA-N 2 2 328.460 3.213 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574872353 459885735 /nfs/dbraw/zinc/88/57/35/459885735.db2.gz LLEKKBLYANZODM-KRWDZBQOSA-N 2 2 325.456 3.092 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(C)cccc32)CC1 ZINC000597242918 459892900 /nfs/dbraw/zinc/89/29/00/459892900.db2.gz XCTCDCRNRANRER-HXUWFJFHSA-N 2 2 344.499 3.380 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692257 459952095 /nfs/dbraw/zinc/95/20/95/459952095.db2.gz WTDHVZKNHSOBJH-PILAGYSTSA-N 2 2 330.472 3.096 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692257 459952102 /nfs/dbraw/zinc/95/21/02/459952102.db2.gz WTDHVZKNHSOBJH-PILAGYSTSA-N 2 2 330.472 3.096 10 0 EGAELP Cn1c[nH+]cc1CCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000594014992 460057945 /nfs/dbraw/zinc/05/79/45/460057945.db2.gz RFSLXOSWPAULHP-UHFFFAOYSA-N 2 2 335.492 3.377 10 0 EGAELP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cc(C)[nH+]c4C3)c2C1 ZINC000625167680 460058178 /nfs/dbraw/zinc/05/81/78/460058178.db2.gz WTBDVSNGRUROCD-HNNXBMFYSA-N 2 2 338.455 3.118 10 0 EGAELP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cc(C)[nH+]c4C3)c2C1 ZINC000625167680 460058185 /nfs/dbraw/zinc/05/81/85/460058185.db2.gz WTBDVSNGRUROCD-HNNXBMFYSA-N 2 2 338.455 3.118 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228218 460079896 /nfs/dbraw/zinc/07/98/96/460079896.db2.gz XTKQPUJARNYVRV-RDTXWAMCSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228218 460079901 /nfs/dbraw/zinc/07/99/01/460079901.db2.gz XTKQPUJARNYVRV-RDTXWAMCSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228218 460079908 /nfs/dbraw/zinc/07/99/08/460079908.db2.gz XTKQPUJARNYVRV-RDTXWAMCSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228218 460079915 /nfs/dbraw/zinc/07/99/15/460079915.db2.gz XTKQPUJARNYVRV-RDTXWAMCSA-N 2 2 329.419 3.397 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000599065854 460148798 /nfs/dbraw/zinc/14/87/98/460148798.db2.gz RZNIAFLBTNRTTB-KCITZHQASA-N 2 2 336.520 3.351 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000599065854 460148804 /nfs/dbraw/zinc/14/88/04/460148804.db2.gz RZNIAFLBTNRTTB-KCITZHQASA-N 2 2 336.520 3.351 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](CCOC)c2ccccc2)CC1 ZINC000626089010 460366415 /nfs/dbraw/zinc/36/64/15/460366415.db2.gz XIKSCAMLFROSKS-FQEVSTJZSA-N 2 2 346.515 3.341 10 0 EGAELP CCOC(=O)c1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)n1 ZINC000600125604 460393438 /nfs/dbraw/zinc/39/34/38/460393438.db2.gz FSOXZMBBSLVQHX-UHFFFAOYSA-N 2 2 333.476 3.003 10 0 EGAELP CCOC(=O)c1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)n1 ZINC000600125604 460393441 /nfs/dbraw/zinc/39/34/41/460393441.db2.gz FSOXZMBBSLVQHX-UHFFFAOYSA-N 2 2 333.476 3.003 10 0 EGAELP Cc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cn1 ZINC000623089687 460408388 /nfs/dbraw/zinc/40/83/88/460408388.db2.gz TVYSNLXXIHJESN-UHFFFAOYSA-N 2 2 348.441 3.247 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000623239253 460459918 /nfs/dbraw/zinc/45/99/18/460459918.db2.gz AZXSSSQLRIXOMF-UHFFFAOYSA-N 2 2 330.863 3.086 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000623239253 460459923 /nfs/dbraw/zinc/45/99/23/460459923.db2.gz AZXSSSQLRIXOMF-UHFFFAOYSA-N 2 2 330.863 3.086 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398319 460527173 /nfs/dbraw/zinc/52/71/73/460527173.db2.gz BWWFPHXQWALOTD-CVEARBPZSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398319 460527175 /nfs/dbraw/zinc/52/71/75/460527175.db2.gz BWWFPHXQWALOTD-CVEARBPZSA-N 2 2 343.475 3.291 10 0 EGAELP c1ccc(N2CCC([NH2+]CC3([C@H]4CCCCO4)CCC3)CC2)[nH+]c1 ZINC000631731593 460536208 /nfs/dbraw/zinc/53/62/08/460536208.db2.gz QLEYCBPKGRENQC-GOSISDBHSA-N 2 2 329.488 3.379 10 0 EGAELP c1cn(C2CCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CC2)c[nH+]1 ZINC000623912108 460774241 /nfs/dbraw/zinc/77/42/41/460774241.db2.gz YYKDXGPSAUGHBU-UHFFFAOYSA-N 2 2 346.438 3.035 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000629526516 460795563 /nfs/dbraw/zinc/79/55/63/460795563.db2.gz XBXRNNGGXXVTAC-ZWKOTPCHSA-N 2 2 339.886 3.174 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629536918 460799398 /nfs/dbraw/zinc/79/93/98/460799398.db2.gz GWADAPUXSBOSHP-CVAIRZPRSA-N 2 2 325.456 3.104 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Nc1cccc(Cl)c1 ZINC000629600915 460823238 /nfs/dbraw/zinc/82/32/38/460823238.db2.gz DUXMJASYFAUHTD-KRWDZBQOSA-N 2 2 335.879 3.275 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Nc1cccc(Cl)c1 ZINC000629600915 460823243 /nfs/dbraw/zinc/82/32/43/460823243.db2.gz DUXMJASYFAUHTD-KRWDZBQOSA-N 2 2 335.879 3.275 10 0 EGAELP C[NH+]1CCC([C@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)CC1 ZINC000624063217 460842419 /nfs/dbraw/zinc/84/24/19/460842419.db2.gz KBQIZMIQSDGFKC-INIZCTEOSA-N 2 2 335.455 3.051 10 0 EGAELP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652413 460846937 /nfs/dbraw/zinc/84/69/37/460846937.db2.gz AHDUNSRZMZVPTJ-SNPDBEFISA-N 2 2 328.378 3.168 10 0 EGAELP COc1ccccc1/C=C\C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652413 460846942 /nfs/dbraw/zinc/84/69/42/460846942.db2.gz AHDUNSRZMZVPTJ-SNPDBEFISA-N 2 2 328.378 3.168 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188752 460902096 /nfs/dbraw/zinc/90/20/96/460902096.db2.gz AZXWWGSZMBZZKN-KBXCAEBGSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188752 460902102 /nfs/dbraw/zinc/90/21/02/460902102.db2.gz AZXWWGSZMBZZKN-KBXCAEBGSA-N 2 2 333.451 3.149 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189445 460902200 /nfs/dbraw/zinc/90/22/00/460902200.db2.gz KWKJUPJKCLPWQP-QFBILLFUSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189445 460902208 /nfs/dbraw/zinc/90/22/08/460902208.db2.gz KWKJUPJKCLPWQP-QFBILLFUSA-N 2 2 329.488 3.319 10 0 EGAELP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189637 460904215 /nfs/dbraw/zinc/90/42/15/460904215.db2.gz VUKRLIRZKVICKG-KBXCAEBGSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189637 460904221 /nfs/dbraw/zinc/90/42/21/460904221.db2.gz VUKRLIRZKVICKG-KBXCAEBGSA-N 2 2 333.451 3.149 10 0 EGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1-c1ccccc1 ZINC000617767965 460970272 /nfs/dbraw/zinc/97/02/72/460970272.db2.gz JWBVFQJWJQQAPU-UHFFFAOYSA-N 2 2 345.512 3.028 10 0 EGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1-c1ccccc1 ZINC000617767965 460970277 /nfs/dbraw/zinc/97/02/77/460970277.db2.gz JWBVFQJWJQQAPU-UHFFFAOYSA-N 2 2 345.512 3.028 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000608068838 460976022 /nfs/dbraw/zinc/97/60/22/460976022.db2.gz FWGBHFNNOKNYEP-SFHVURJKSA-N 2 2 331.423 3.370 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000608068838 460976029 /nfs/dbraw/zinc/97/60/29/460976029.db2.gz FWGBHFNNOKNYEP-SFHVURJKSA-N 2 2 331.423 3.370 10 0 EGAELP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662251305 461145579 /nfs/dbraw/zinc/14/55/79/461145579.db2.gz CDQHFEXTWUCXGT-LRDDRELGSA-N 2 2 328.378 3.219 10 0 EGAELP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662251305 461145590 /nfs/dbraw/zinc/14/55/90/461145590.db2.gz CDQHFEXTWUCXGT-LRDDRELGSA-N 2 2 328.378 3.219 10 0 EGAELP C[C@@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@@H]1CC[NH3+] ZINC000652355816 461151341 /nfs/dbraw/zinc/15/13/41/461151341.db2.gz ISQFNZYRJDXZMD-TZMCWYRMSA-N 2 2 340.427 3.031 10 0 EGAELP C[C@@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@@H]1CC[NH3+] ZINC000652355816 461151343 /nfs/dbraw/zinc/15/13/43/461151343.db2.gz ISQFNZYRJDXZMD-TZMCWYRMSA-N 2 2 340.427 3.031 10 0 EGAELP COCC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000662339165 461199007 /nfs/dbraw/zinc/19/90/07/461199007.db2.gz AQFAWQDDACNMAW-HXUWFJFHSA-N 2 2 346.515 3.216 10 0 EGAELP COCC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000662339165 461199016 /nfs/dbraw/zinc/19/90/16/461199016.db2.gz AQFAWQDDACNMAW-HXUWFJFHSA-N 2 2 346.515 3.216 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000655756777 461422975 /nfs/dbraw/zinc/42/29/75/461422975.db2.gz YCAUMMUKOYPRBW-CJNGLKHVSA-N 2 2 331.485 3.200 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000642091694 461443267 /nfs/dbraw/zinc/44/32/67/461443267.db2.gz RHTINPIPVIHVBW-OLZOCXBDSA-N 2 2 325.391 3.289 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000642091694 461443277 /nfs/dbraw/zinc/44/32/77/461443277.db2.gz RHTINPIPVIHVBW-OLZOCXBDSA-N 2 2 325.391 3.289 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906691 461444389 /nfs/dbraw/zinc/44/43/89/461444389.db2.gz AMVMVWPGEXMOAY-PXAZEXFGSA-N 2 2 346.381 3.135 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906691 461444394 /nfs/dbraw/zinc/44/43/94/461444394.db2.gz AMVMVWPGEXMOAY-PXAZEXFGSA-N 2 2 346.381 3.135 10 0 EGAELP CC(C)[NH2+]C1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642114824 461450395 /nfs/dbraw/zinc/45/03/95/461450395.db2.gz HGWOTQVTFKDCTL-UHFFFAOYSA-N 2 2 327.407 3.217 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000655810939 461467798 /nfs/dbraw/zinc/46/77/98/461467798.db2.gz PEOQXAGFLPGIJM-YLJYHZDGSA-N 2 2 339.483 3.399 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000655810939 461467803 /nfs/dbraw/zinc/46/78/03/461467803.db2.gz PEOQXAGFLPGIJM-YLJYHZDGSA-N 2 2 339.483 3.399 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208271 461470413 /nfs/dbraw/zinc/47/04/13/461470413.db2.gz VPWLCIPMYOHEOE-BLLLJJGKSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208271 461470418 /nfs/dbraw/zinc/47/04/18/461470418.db2.gz VPWLCIPMYOHEOE-BLLLJJGKSA-N 2 2 339.418 3.171 10 0 EGAELP Cc1ccc(N2CCC(c3nc([C@@H]([NH3+])CC(C)C)no3)CC2)[nH+]c1 ZINC000647132100 461516284 /nfs/dbraw/zinc/51/62/84/461516284.db2.gz OFFDAQMTMQQNHN-HNNXBMFYSA-N 2 2 329.448 3.203 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012783 461544198 /nfs/dbraw/zinc/54/41/98/461544198.db2.gz UIDDOTJEOKSZLW-WFASDCNBSA-N 2 2 328.378 3.343 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012783 461544204 /nfs/dbraw/zinc/54/42/04/461544204.db2.gz UIDDOTJEOKSZLW-WFASDCNBSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012783 461544209 /nfs/dbraw/zinc/54/42/09/461544209.db2.gz UIDDOTJEOKSZLW-WFASDCNBSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012783 461544213 /nfs/dbraw/zinc/54/42/13/461544213.db2.gz UIDDOTJEOKSZLW-WFASDCNBSA-N 2 2 328.378 3.343 10 0 EGAELP Clc1cc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc(Cl)c1Cl ZINC000655949098 461547404 /nfs/dbraw/zinc/54/74/04/461547404.db2.gz MJOLQYVWNUCQSI-LLVKDONJSA-N 2 2 348.705 3.378 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)C1 ZINC000656118804 461603022 /nfs/dbraw/zinc/60/30/22/461603022.db2.gz WVJXDSCCWGXOIX-HNNXBMFYSA-N 2 2 340.475 3.210 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656252479 461674530 /nfs/dbraw/zinc/67/45/30/461674530.db2.gz BFVVOFDEYNVFLM-JXFKEZNVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656252479 461674536 /nfs/dbraw/zinc/67/45/36/461674536.db2.gz BFVVOFDEYNVFLM-JXFKEZNVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656252479 461674543 /nfs/dbraw/zinc/67/45/43/461674543.db2.gz BFVVOFDEYNVFLM-JXFKEZNVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656252479 461674548 /nfs/dbraw/zinc/67/45/48/461674548.db2.gz BFVVOFDEYNVFLM-JXFKEZNVSA-N 2 2 326.488 3.404 10 0 EGAELP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000663507963 461677802 /nfs/dbraw/zinc/67/78/02/461677802.db2.gz DXEITMISDIDGIG-SNVBAGLBSA-N 2 2 340.290 3.270 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479674 461725636 /nfs/dbraw/zinc/72/56/36/461725636.db2.gz PLVSGERSBDJPCH-HIFRSBDPSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479674 461725641 /nfs/dbraw/zinc/72/56/41/461725641.db2.gz PLVSGERSBDJPCH-HIFRSBDPSA-N 2 2 328.378 3.391 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480277 461728623 /nfs/dbraw/zinc/72/86/23/461728623.db2.gz IKZIECWIKBEDDF-CZUORRHYSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480277 461728632 /nfs/dbraw/zinc/72/86/32/461728632.db2.gz IKZIECWIKBEDDF-CZUORRHYSA-N 2 2 340.414 3.261 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401270 461734983 /nfs/dbraw/zinc/73/49/83/461734983.db2.gz CJEWUDYKUFJKOD-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401270 461734992 /nfs/dbraw/zinc/73/49/92/461734992.db2.gz CJEWUDYKUFJKOD-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401270 461735001 /nfs/dbraw/zinc/73/50/01/461735001.db2.gz CJEWUDYKUFJKOD-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401270 461735011 /nfs/dbraw/zinc/73/50/11/461735011.db2.gz CJEWUDYKUFJKOD-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000647498918 461738643 /nfs/dbraw/zinc/73/86/43/461738643.db2.gz UDDRUHNVTSBHCV-RISCZKNCSA-N 2 2 327.266 3.017 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000647498918 461738649 /nfs/dbraw/zinc/73/86/49/461738649.db2.gz UDDRUHNVTSBHCV-RISCZKNCSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553466 461764967 /nfs/dbraw/zinc/76/49/67/461764967.db2.gz AJIQQGQECBRGEI-OAHLLOKOSA-N 2 2 339.277 3.222 10 0 EGAELP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653690448 461809304 /nfs/dbraw/zinc/80/93/04/461809304.db2.gz YLGXLJGYJCOZPL-HNNXBMFYSA-N 2 2 338.442 3.083 10 0 EGAELP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653690448 461809309 /nfs/dbraw/zinc/80/93/09/461809309.db2.gz YLGXLJGYJCOZPL-HNNXBMFYSA-N 2 2 338.442 3.083 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000656702692 461848850 /nfs/dbraw/zinc/84/88/50/461848850.db2.gz RKZXTPRUULLZQJ-LSDHHAIUSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000656702692 461848856 /nfs/dbraw/zinc/84/88/56/461848856.db2.gz RKZXTPRUULLZQJ-LSDHHAIUSA-N 2 2 344.421 3.071 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876488 461867449 /nfs/dbraw/zinc/86/74/49/461867449.db2.gz PTACILBPHPTXEA-AEFFLSMTSA-N 2 2 333.382 3.018 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876488 461867453 /nfs/dbraw/zinc/86/74/53/461867453.db2.gz PTACILBPHPTXEA-AEFFLSMTSA-N 2 2 333.382 3.018 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901213 461875771 /nfs/dbraw/zinc/87/57/71/461875771.db2.gz LAMKZRMGBGLFRX-QFBILLFUSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901213 461875778 /nfs/dbraw/zinc/87/57/78/461875778.db2.gz LAMKZRMGBGLFRX-QFBILLFUSA-N 2 2 341.455 3.314 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900956 461876064 /nfs/dbraw/zinc/87/60/64/461876064.db2.gz HXPUIXMICBEUMS-JPLJXNOCSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900956 461876072 /nfs/dbraw/zinc/87/60/72/461876072.db2.gz HXPUIXMICBEUMS-JPLJXNOCSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901513 461876814 /nfs/dbraw/zinc/87/68/14/461876814.db2.gz PYBWLKXUFBPTNA-OKZBNKHCSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901513 461876818 /nfs/dbraw/zinc/87/68/18/461876818.db2.gz PYBWLKXUFBPTNA-OKZBNKHCSA-N 2 2 329.488 3.094 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903766 461879087 /nfs/dbraw/zinc/87/90/87/461879087.db2.gz PEYBXQPJZKCIMC-HNAYVOBHSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903766 461879097 /nfs/dbraw/zinc/87/90/97/461879097.db2.gz PEYBXQPJZKCIMC-HNAYVOBHSA-N 2 2 344.890 3.490 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648010729 461938760 /nfs/dbraw/zinc/93/87/60/461938760.db2.gz QCFLGOSGFCXVAD-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648010729 461938766 /nfs/dbraw/zinc/93/87/66/461938766.db2.gz QCFLGOSGFCXVAD-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010176 461939783 /nfs/dbraw/zinc/93/97/83/461939783.db2.gz OBAQAMXXFPEWIZ-PKOBYXMFSA-N 2 2 326.488 3.485 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010176 461939787 /nfs/dbraw/zinc/93/97/87/461939787.db2.gz OBAQAMXXFPEWIZ-PKOBYXMFSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010176 461939792 /nfs/dbraw/zinc/93/97/92/461939792.db2.gz OBAQAMXXFPEWIZ-PKOBYXMFSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000648010176 461939794 /nfs/dbraw/zinc/93/97/94/461939794.db2.gz OBAQAMXXFPEWIZ-PKOBYXMFSA-N 2 2 326.488 3.485 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000664138168 461955311 /nfs/dbraw/zinc/95/53/11/461955311.db2.gz KBXDTKYDAZXHCA-HNNXBMFYSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000664138168 461955314 /nfs/dbraw/zinc/95/53/14/461955314.db2.gz KBXDTKYDAZXHCA-HNNXBMFYSA-N 2 2 325.460 3.379 10 0 EGAELP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000657384032 462087016 /nfs/dbraw/zinc/08/70/16/462087016.db2.gz QSIJTYRGVJJZLT-SFHVURJKSA-N 3 2 349.482 3.268 10 0 EGAELP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[N@@H+](C)Cc1ccccc1 ZINC000657384032 462087020 /nfs/dbraw/zinc/08/70/20/462087020.db2.gz QSIJTYRGVJJZLT-SFHVURJKSA-N 3 2 349.482 3.268 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657384898 462087967 /nfs/dbraw/zinc/08/79/67/462087967.db2.gz SGSASFQBOHGYES-UHFFFAOYSA-N 2 2 344.425 3.326 10 0 EGAELP CC(C)(C)Oc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657424172 462114502 /nfs/dbraw/zinc/11/45/02/462114502.db2.gz TVXCJLTUJWBKCN-UHFFFAOYSA-N 2 2 337.427 3.129 10 0 EGAELP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667502114 462116383 /nfs/dbraw/zinc/11/63/83/462116383.db2.gz UMQYBNYMQZGKKO-UHFFFAOYSA-N 3 2 341.503 3.211 10 0 EGAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667502114 462116388 /nfs/dbraw/zinc/11/63/88/462116388.db2.gz UMQYBNYMQZGKKO-UHFFFAOYSA-N 3 2 341.503 3.211 10 0 EGAELP Fc1cncc(Br)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667564241 462146488 /nfs/dbraw/zinc/14/64/88/462146488.db2.gz GLXVUMOBPQSEOH-UHFFFAOYSA-N 2 2 339.212 3.086 10 0 EGAELP COc1cc(C)nc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000657650118 462215841 /nfs/dbraw/zinc/21/58/41/462215841.db2.gz XWKFIBJSDVAMOS-LJQANCHMSA-N 2 2 336.439 3.206 10 0 EGAELP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657750963 462251393 /nfs/dbraw/zinc/25/13/93/462251393.db2.gz FNWNVJRAGGLYTL-GFCCVEGCSA-N 2 2 334.407 3.110 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667770204 462253526 /nfs/dbraw/zinc/25/35/26/462253526.db2.gz RJAWEEDQWVCANQ-OALUTQOASA-N 2 2 334.891 3.462 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000657815765 462281625 /nfs/dbraw/zinc/28/16/25/462281625.db2.gz ILCVLJLLCMMEPA-LEWJYISDSA-N 2 2 346.515 3.245 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc2[nH+]1 ZINC000667861487 462299967 /nfs/dbraw/zinc/29/99/67/462299967.db2.gz TVGXDSGYAAYCLF-IBGZPJMESA-N 2 2 348.450 3.461 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCOCC1)c1ccccc1 ZINC000667871315 462302790 /nfs/dbraw/zinc/30/27/90/462302790.db2.gz SGGLPZONJORQPS-DBVUQKKJSA-N 2 2 344.499 3.044 10 0 EGAELP Cc1cccn2c(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)c[nH+]c12 ZINC000667948717 462340337 /nfs/dbraw/zinc/34/03/37/462340337.db2.gz KGXSHINGVIQCDR-UHFFFAOYSA-N 2 2 343.475 3.227 10 0 EGAELP Cc1cccn2c(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c[nH+]c12 ZINC000667948717 462340340 /nfs/dbraw/zinc/34/03/40/462340340.db2.gz KGXSHINGVIQCDR-UHFFFAOYSA-N 2 2 343.475 3.227 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2nccn2C)CC1 ZINC000651961934 462393442 /nfs/dbraw/zinc/39/34/42/462393442.db2.gz NVZMCJAEVNBADT-LJQANCHMSA-N 2 2 326.488 3.168 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000655155104 462500534 /nfs/dbraw/zinc/50/05/34/462500534.db2.gz GXLUNSBXNBZRSD-OAHLLOKOSA-N 2 2 348.450 3.434 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000655155104 462500535 /nfs/dbraw/zinc/50/05/35/462500535.db2.gz GXLUNSBXNBZRSD-OAHLLOKOSA-N 2 2 348.450 3.434 10 0 EGAELP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662096056 462524545 /nfs/dbraw/zinc/52/45/45/462524545.db2.gz TUGJMSSXOLGIHF-MRXNPFEDSA-N 2 2 349.523 3.025 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907641 533949607 /nfs/dbraw/zinc/94/96/07/533949607.db2.gz OXLKKSUNTUAPJO-AWEZNQCLSA-N 2 2 336.443 3.119 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129372995 534027443 /nfs/dbraw/zinc/02/74/43/534027443.db2.gz FARRFVVQLLDDMZ-CJNGLKHVSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129372995 534027451 /nfs/dbraw/zinc/02/74/51/534027451.db2.gz FARRFVVQLLDDMZ-CJNGLKHVSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171590160 534054337 /nfs/dbraw/zinc/05/43/37/534054337.db2.gz WGNRALXGMBSMDV-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171590160 534054345 /nfs/dbraw/zinc/05/43/45/534054345.db2.gz WGNRALXGMBSMDV-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000191443072 528841528 /nfs/dbraw/zinc/84/15/28/528841528.db2.gz FRLUYPNKNAHAHK-AEFFLSMTSA-N 2 2 327.476 3.206 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000191443072 528841535 /nfs/dbraw/zinc/84/15/35/528841535.db2.gz FRLUYPNKNAHAHK-AEFFLSMTSA-N 2 2 327.476 3.206 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515979 536509941 /nfs/dbraw/zinc/50/99/41/536509941.db2.gz IMYRXHUYKIXWRK-KXBFYZLASA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515979 536509947 /nfs/dbraw/zinc/50/99/47/536509947.db2.gz IMYRXHUYKIXWRK-KXBFYZLASA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515979 536509949 /nfs/dbraw/zinc/50/99/49/536509949.db2.gz IMYRXHUYKIXWRK-KXBFYZLASA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515979 536509954 /nfs/dbraw/zinc/50/99/54/536509954.db2.gz IMYRXHUYKIXWRK-KXBFYZLASA-N 2 2 346.446 3.061 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189508 546654391 /nfs/dbraw/zinc/65/43/91/546654391.db2.gz PIQCLEODXVGDRU-BEFAXECRSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189508 546654396 /nfs/dbraw/zinc/65/43/96/546654396.db2.gz PIQCLEODXVGDRU-BEFAXECRSA-N 2 2 326.488 3.292 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383660467 547821518 /nfs/dbraw/zinc/82/15/18/547821518.db2.gz GHIRGLOFKYPAFB-LJQANCHMSA-N 2 2 326.488 3.295 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383660467 547821521 /nfs/dbraw/zinc/82/15/21/547821521.db2.gz GHIRGLOFKYPAFB-LJQANCHMSA-N 2 2 326.488 3.295 10 0 EGAELP Brc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c2ncccc12 ZINC000415064277 547863608 /nfs/dbraw/zinc/86/36/08/547863608.db2.gz CFLISBWWAUGJPG-ZDUSSCGKSA-N 2 2 334.261 3.229 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881169 548995945 /nfs/dbraw/zinc/99/59/45/548995945.db2.gz KGKRMYIZIWYYOL-CRAIPNDOSA-N 2 2 348.535 3.241 10 0 EGAELP CC[C@H](C)CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000680039988 549809868 /nfs/dbraw/zinc/80/98/68/549809868.db2.gz LTWBKLUUVRTYHT-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CC[C@H](C)CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000680039988 549809870 /nfs/dbraw/zinc/80/98/70/549809870.db2.gz LTWBKLUUVRTYHT-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000685448924 550417740 /nfs/dbraw/zinc/41/77/40/550417740.db2.gz IJDZYGRSVKOJEX-COPCDDAFSA-N 2 2 338.495 3.090 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000685448924 550417742 /nfs/dbraw/zinc/41/77/42/550417742.db2.gz IJDZYGRSVKOJEX-COPCDDAFSA-N 2 2 338.495 3.090 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726071505 574539864 /nfs/dbraw/zinc/53/98/64/574539864.db2.gz HCGOVPKGMBIWNZ-QGZVFWFLSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726071505 574539866 /nfs/dbraw/zinc/53/98/66/574539866.db2.gz HCGOVPKGMBIWNZ-QGZVFWFLSA-N 2 2 325.541 3.266 10 0 EGAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738953055 576370338 /nfs/dbraw/zinc/37/03/38/576370338.db2.gz XDKRDSPIOISPAG-INIZCTEOSA-N 2 2 329.448 3.110 10 0 EGAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738953055 576370339 /nfs/dbraw/zinc/37/03/39/576370339.db2.gz XDKRDSPIOISPAG-INIZCTEOSA-N 2 2 329.448 3.110 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934877 1296375086 /nfs/dbraw/zinc/37/50/86/1296375086.db2.gz HIBFWRQXGZPJEW-VQIMIIECSA-N 2 2 328.435 3.063 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934877 1296375096 /nfs/dbraw/zinc/37/50/96/1296375096.db2.gz HIBFWRQXGZPJEW-VQIMIIECSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934877 1296375103 /nfs/dbraw/zinc/37/51/03/1296375103.db2.gz HIBFWRQXGZPJEW-VQIMIIECSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934877 1296375112 /nfs/dbraw/zinc/37/51/12/1296375112.db2.gz HIBFWRQXGZPJEW-VQIMIIECSA-N 2 2 328.435 3.063 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151854 1296769233 /nfs/dbraw/zinc/76/92/33/1296769233.db2.gz YFRTUUSIOKUQOV-JQWIXIFHSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151854 1296769244 /nfs/dbraw/zinc/76/92/44/1296769244.db2.gz YFRTUUSIOKUQOV-JQWIXIFHSA-N 2 2 342.283 3.154 10 0 EGAELP Brc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c2ncccc12 ZINC000873230155 1297372709 /nfs/dbraw/zinc/37/27/09/1297372709.db2.gz NANJUHNUFUINFB-WBVHZDCISA-N 2 2 346.272 3.372 10 0 EGAELP COCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575316297 1297998662 /nfs/dbraw/zinc/99/86/62/1297998662.db2.gz CEJKLQFNNLCGNQ-HNNXBMFYSA-N 2 2 335.398 3.106 10 0 EGAELP COCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575316297 1297998679 /nfs/dbraw/zinc/99/86/79/1297998679.db2.gz CEJKLQFNNLCGNQ-HNNXBMFYSA-N 2 2 335.398 3.106 10 0 EGAELP O[C@@]1(C[NH2+]Cc2cccc(F)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000702573695 1298195713 /nfs/dbraw/zinc/19/57/13/1298195713.db2.gz MTYUAGYHUIANQS-LJQANCHMSA-N 2 2 348.849 3.206 10 0 EGAELP O[C@@]1(C[NH2+]Cc2cccc(F)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000702573695 1298195719 /nfs/dbraw/zinc/19/57/19/1298195719.db2.gz MTYUAGYHUIANQS-LJQANCHMSA-N 2 2 348.849 3.206 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046306 1306190322 /nfs/dbraw/zinc/19/03/22/1306190322.db2.gz VJXXRCCJOYCSAZ-HOCLYGCPSA-N 2 2 335.492 3.229 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046306 1306190329 /nfs/dbraw/zinc/19/03/29/1306190329.db2.gz VJXXRCCJOYCSAZ-HOCLYGCPSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046306 1306190334 /nfs/dbraw/zinc/19/03/34/1306190334.db2.gz VJXXRCCJOYCSAZ-HOCLYGCPSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046306 1306190338 /nfs/dbraw/zinc/19/03/38/1306190338.db2.gz VJXXRCCJOYCSAZ-HOCLYGCPSA-N 2 2 335.492 3.229 10 0 EGAELP Cc1nn(C(C)C)cc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112858 1309196962 /nfs/dbraw/zinc/19/69/62/1309196962.db2.gz SNMKMRTYUMUWSL-IYARVYRRSA-N 2 2 327.476 3.444 10 0 EGAELP c1ccc(OCCCCC[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897227056 1310231017 /nfs/dbraw/zinc/23/10/17/1310231017.db2.gz ADNWPQOJGAYGCU-IBGZPJMESA-N 2 2 332.488 3.079 10 0 EGAELP c1ccc(OCCCCC[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897227056 1310231023 /nfs/dbraw/zinc/23/10/23/1310231023.db2.gz ADNWPQOJGAYGCU-IBGZPJMESA-N 2 2 332.488 3.079 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850838 1328602632 /nfs/dbraw/zinc/60/26/32/1328602632.db2.gz ALQXCQJTDZXYCA-YOEHRIQHSA-N 2 2 330.501 3.350 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850838 1328602642 /nfs/dbraw/zinc/60/26/42/1328602642.db2.gz ALQXCQJTDZXYCA-YOEHRIQHSA-N 2 2 330.501 3.350 10 0 EGAELP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000929640503 1328654569 /nfs/dbraw/zinc/65/45/69/1328654569.db2.gz VDMANFKJMWZUKI-HNNXBMFYSA-N 2 2 343.446 3.280 10 0 EGAELP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000929640503 1328654575 /nfs/dbraw/zinc/65/45/75/1328654575.db2.gz VDMANFKJMWZUKI-HNNXBMFYSA-N 2 2 343.446 3.280 10 0 EGAELP C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719017 1328676953 /nfs/dbraw/zinc/67/69/53/1328676953.db2.gz LNZQOZSPNOOXIR-SJORKVTESA-N 2 2 330.472 3.019 10 0 EGAELP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719017 1328676957 /nfs/dbraw/zinc/67/69/57/1328676957.db2.gz LNZQOZSPNOOXIR-SJORKVTESA-N 2 2 330.472 3.019 10 0 EGAELP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Br)cc1F ZINC000858094506 1328680087 /nfs/dbraw/zinc/68/00/87/1328680087.db2.gz PRKABWYZZQOOOL-NSHDSACASA-N 2 2 326.213 3.271 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1F ZINC000858095429 1328681210 /nfs/dbraw/zinc/68/12/10/1328681210.db2.gz ZQQDSVNYPPELQL-GFCCVEGCSA-N 2 2 341.268 3.471 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)cc1F ZINC000858095429 1328681215 /nfs/dbraw/zinc/68/12/15/1328681215.db2.gz ZQQDSVNYPPELQL-GFCCVEGCSA-N 2 2 341.268 3.471 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)cc1F ZINC000858145763 1328695694 /nfs/dbraw/zinc/69/56/94/1328695694.db2.gz DZALIVABSICBKW-AAEUAGOBSA-N 2 2 329.257 3.469 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)cc1F ZINC000858145763 1328695698 /nfs/dbraw/zinc/69/56/98/1328695698.db2.gz DZALIVABSICBKW-AAEUAGOBSA-N 2 2 329.257 3.469 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c[nH+]1 ZINC000921518841 1322337244 /nfs/dbraw/zinc/33/72/44/1322337244.db2.gz YOMQLSULCVYRSN-NSISKUIASA-N 2 2 325.456 3.226 10 0 EGAELP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(C2CCCC2)n1 ZINC000921667246 1322374657 /nfs/dbraw/zinc/37/46/57/1322374657.db2.gz NEXHCCYOWIIANY-UHFFFAOYSA-N 2 2 327.476 3.455 10 0 EGAELP C[NH+](C)CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629262 1322574719 /nfs/dbraw/zinc/57/47/19/1322574719.db2.gz VDOKEZAVIGYXMR-VQIMIIECSA-N 2 2 325.456 3.230 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCOCC1 ZINC000922749421 1322608909 /nfs/dbraw/zinc/60/89/09/1322608909.db2.gz OYCYMXYFMROZQC-LJQANCHMSA-N 2 2 346.515 3.215 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCOCC1 ZINC000922749421 1322608910 /nfs/dbraw/zinc/60/89/10/1322608910.db2.gz OYCYMXYFMROZQC-LJQANCHMSA-N 2 2 346.515 3.215 10 0 EGAELP OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000923010533 1322673504 /nfs/dbraw/zinc/67/35/04/1322673504.db2.gz UEIPCLOSAJJNIO-TYKWCNGQSA-N 2 2 333.435 3.055 10 0 EGAELP C[C@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC000923493149 1322761715 /nfs/dbraw/zinc/76/17/15/1322761715.db2.gz DUKVGUHKJGYTEN-VHSXEESVSA-N 2 2 333.220 3.144 10 0 EGAELP C[C@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC000923493149 1322761718 /nfs/dbraw/zinc/76/17/18/1322761718.db2.gz DUKVGUHKJGYTEN-VHSXEESVSA-N 2 2 333.220 3.144 10 0 EGAELP Clc1ccnc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924647265 1323091851 /nfs/dbraw/zinc/09/18/51/1323091851.db2.gz ZXYNJXYSXISBGS-INIZCTEOSA-N 2 2 330.863 3.478 10 0 EGAELP Cc1[nH]c(CN2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)[nH+]c1C ZINC000931222777 1329074010 /nfs/dbraw/zinc/07/40/10/1329074010.db2.gz CTPFYLAOLKZSKE-NHCUHLMSSA-N 2 2 338.499 3.371 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534175 1325196054 /nfs/dbraw/zinc/19/60/54/1325196054.db2.gz JGVLYBBKKWAZJM-OQIJWPOYSA-N 3 2 347.572 3.326 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534175 1325196063 /nfs/dbraw/zinc/19/60/63/1325196063.db2.gz JGVLYBBKKWAZJM-OQIJWPOYSA-N 3 2 347.572 3.326 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925683461 1325260827 /nfs/dbraw/zinc/26/08/27/1325260827.db2.gz QJGYWOKZWWWJJA-YGWPLHOASA-N 2 2 332.488 3.378 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925683461 1325260830 /nfs/dbraw/zinc/26/08/30/1325260830.db2.gz QJGYWOKZWWWJJA-YGWPLHOASA-N 2 2 332.488 3.378 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925683460 1325261102 /nfs/dbraw/zinc/26/11/02/1325261102.db2.gz QJGYWOKZWWWJJA-MVJPYGJCSA-N 2 2 332.488 3.378 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925683460 1325261110 /nfs/dbraw/zinc/26/11/10/1325261110.db2.gz QJGYWOKZWWWJJA-MVJPYGJCSA-N 2 2 332.488 3.378 10 0 EGAELP Nc1cc[nH+]c(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)c1 ZINC000925767171 1325291897 /nfs/dbraw/zinc/29/18/97/1325291897.db2.gz NRTIINYEAQVUBW-ZWKOTPCHSA-N 2 2 331.847 3.197 10 0 EGAELP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000925792437 1325302225 /nfs/dbraw/zinc/30/22/25/1325302225.db2.gz BLZHPUVRPINSGB-DZGCQCFKSA-N 2 2 338.492 3.357 10 0 EGAELP CC(C)c1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c(C(C)C)c1 ZINC000925934958 1325363025 /nfs/dbraw/zinc/36/30/25/1325363025.db2.gz WOKDPFGIXPTRRS-UHFFFAOYSA-N 2 2 346.519 3.478 10 0 EGAELP O=C(NCCCCCC1CC[NH2+]CC1)Nc1ccn2cc[nH+]c2c1 ZINC000926106794 1325429905 /nfs/dbraw/zinc/42/99/05/1325429905.db2.gz WXZNNEGIJAAGNW-UHFFFAOYSA-N 2 2 329.448 3.016 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946999 1327788917 /nfs/dbraw/zinc/78/89/17/1327788917.db2.gz BPHXBPFBRDJHQP-UGQVUOCMSA-N 2 2 327.394 3.080 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926946999 1327788922 /nfs/dbraw/zinc/78/89/22/1327788922.db2.gz BPHXBPFBRDJHQP-UGQVUOCMSA-N 2 2 327.394 3.080 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C[NH+](C)C ZINC000926962379 1327800752 /nfs/dbraw/zinc/80/07/52/1327800752.db2.gz LNCDGSQCNWFHER-OXJNMPFZSA-N 2 2 327.472 3.366 10 0 EGAELP C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431735 1329486433 /nfs/dbraw/zinc/48/64/33/1329486433.db2.gz SDHRICCPMKWRTA-OXJNMPFZSA-N 2 2 325.456 3.224 10 0 EGAELP C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431735 1329486434 /nfs/dbraw/zinc/48/64/34/1329486434.db2.gz SDHRICCPMKWRTA-OXJNMPFZSA-N 2 2 325.456 3.224 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865729238 1329733517 /nfs/dbraw/zinc/73/35/17/1329733517.db2.gz FIEZWDKMYLUOBL-DLBZAZTESA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865729238 1329733519 /nfs/dbraw/zinc/73/35/19/1329733519.db2.gz FIEZWDKMYLUOBL-DLBZAZTESA-N 2 2 330.472 3.358 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3ccc(F)cc23)[C@H](C)C1 ZINC000866511773 1330119977 /nfs/dbraw/zinc/11/99/77/1330119977.db2.gz SXQBKPQWBOXCBX-PBHICJAKSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3ccc(F)cc23)[C@H](C)C1 ZINC000866511773 1330119979 /nfs/dbraw/zinc/11/99/79/1330119979.db2.gz SXQBKPQWBOXCBX-PBHICJAKSA-N 2 2 349.450 3.194 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856945 1387477274 /nfs/dbraw/zinc/47/72/74/1387477274.db2.gz FNTKEKMWOHOAIH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856945 1387477278 /nfs/dbraw/zinc/47/72/78/1387477278.db2.gz FNTKEKMWOHOAIH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856945 1387477281 /nfs/dbraw/zinc/47/72/81/1387477281.db2.gz FNTKEKMWOHOAIH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856945 1387477285 /nfs/dbraw/zinc/47/72/85/1387477285.db2.gz FNTKEKMWOHOAIH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP c1cc(C[NH2+]Cc2nc(-c3ccncc3)cs2)n(-c2cc[nH+]cc2)n1 ZINC001203579071 1370177126 /nfs/dbraw/zinc/17/71/26/1370177126.db2.gz DAIOHFIOCLXEFM-UHFFFAOYSA-N 2 2 348.435 3.076 10 0 EGAELP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001119540915 1371364184 /nfs/dbraw/zinc/36/41/84/1371364184.db2.gz LMRJCAYXMMYESK-SJORKVTESA-N 2 2 340.471 3.172 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001326380260 1388171369 /nfs/dbraw/zinc/17/13/69/1388171369.db2.gz JHOXRMMPHGNMCY-PKOBYXMFSA-N 2 2 344.503 3.163 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)[nH+]1 ZINC001326722057 1388289543 /nfs/dbraw/zinc/28/95/43/1388289543.db2.gz ZTMIQJYWECYTKG-OAHLLOKOSA-N 2 2 337.427 3.450 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)[nH+]1 ZINC001326722057 1388289547 /nfs/dbraw/zinc/28/95/47/1388289547.db2.gz ZTMIQJYWECYTKG-OAHLLOKOSA-N 2 2 337.427 3.450 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155667 1388409466 /nfs/dbraw/zinc/40/94/66/1388409466.db2.gz HILXAYYBBOIZLT-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155667 1388409469 /nfs/dbraw/zinc/40/94/69/1388409469.db2.gz HILXAYYBBOIZLT-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155985 1388411002 /nfs/dbraw/zinc/41/10/02/1388411002.db2.gz JOOWNYIDHZOOCE-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155985 1388411008 /nfs/dbraw/zinc/41/10/08/1388411008.db2.gz JOOWNYIDHZOOCE-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155985 1388411012 /nfs/dbraw/zinc/41/10/12/1388411012.db2.gz JOOWNYIDHZOOCE-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155985 1388411015 /nfs/dbraw/zinc/41/10/15/1388411015.db2.gz JOOWNYIDHZOOCE-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCCC[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001266185448 1377220118 /nfs/dbraw/zinc/22/01/18/1377220118.db2.gz ICMSTZOASXGENN-UHFFFAOYSA-N 2 2 348.535 3.430 10 0 EGAELP CC1CCC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001266237769 1377241569 /nfs/dbraw/zinc/24/15/69/1377241569.db2.gz CNHYGDAIMBZDSL-ABHNRTSZSA-N 2 2 346.519 3.139 10 0 EGAELP CC1CCC(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001266237769 1377241572 /nfs/dbraw/zinc/24/15/72/1377241572.db2.gz CNHYGDAIMBZDSL-ABHNRTSZSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001266540869 1377329840 /nfs/dbraw/zinc/32/98/40/1377329840.db2.gz MTYDFUACNDMAKX-SFHVURJKSA-N 2 2 340.471 3.257 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CC2CCC(C)CC2)c(C)[nH+]1 ZINC001266782478 1377380565 /nfs/dbraw/zinc/38/05/65/1377380565.db2.gz CWORGFOTEFYSFJ-UHFFFAOYSA-N 2 2 331.504 3.495 10 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/nfs/dbraw/zinc/29/10/72/1378291072.db2.gz ZHRSQZQERHRVBY-QZTJIDSGSA-N 2 2 346.519 3.262 10 0 EGAELP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278979342 1378294653 /nfs/dbraw/zinc/29/46/53/1378294653.db2.gz YUZVDQLWSLDGOL-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691769 1379120890 /nfs/dbraw/zinc/12/08/90/1379120890.db2.gz NADWSGAPLKRYLC-JKSUJKDBSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691769 1379120893 /nfs/dbraw/zinc/12/08/93/1379120893.db2.gz NADWSGAPLKRYLC-JKSUJKDBSA-N 2 2 348.535 3.241 10 0 EGAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)CC(C)(C)C)c2)CC1 ZINC001151290404 1379693681 /nfs/dbraw/zinc/69/36/81/1379693681.db2.gz ORKBVHQKPQRBET-UHFFFAOYSA-N 2 2 332.492 3.234 10 0 EGAELP CC/C=C/CC[N@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001284543886 1379950423 /nfs/dbraw/zinc/95/04/23/1379950423.db2.gz LBSRCGKULKKIBC-VOTSOKGWSA-N 2 2 342.487 3.473 10 0 EGAELP CC/C=C/CC[N@@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001284543886 1379950425 /nfs/dbraw/zinc/95/04/25/1379950425.db2.gz LBSRCGKULKKIBC-VOTSOKGWSA-N 2 2 342.487 3.473 10 0 EGAELP CCCCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284610296 1380010313 /nfs/dbraw/zinc/01/03/13/1380010313.db2.gz PKIRJCHAVZDGBN-INIZCTEOSA-N 2 2 330.476 3.259 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284699408 1380114801 /nfs/dbraw/zinc/11/48/01/1380114801.db2.gz HNSZKJMGYXHFNC-OSFIAYCASA-N 2 2 346.519 3.407 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001284731110 1380150358 /nfs/dbraw/zinc/15/03/58/1380150358.db2.gz CJJCHNNDIGEHAQ-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164254 1384104101 /nfs/dbraw/zinc/10/41/01/1384104101.db2.gz AJKYKUKMGRXNGN-MRXNPFEDSA-N 2 2 328.460 3.421 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164254 1384104103 /nfs/dbraw/zinc/10/41/03/1384104103.db2.gz AJKYKUKMGRXNGN-MRXNPFEDSA-N 2 2 328.460 3.421 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001316684492 1384524621 /nfs/dbraw/zinc/52/46/21/1384524621.db2.gz XWKOHLMFLNEZCM-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001316703076 1384530094 /nfs/dbraw/zinc/53/00/94/1384530094.db2.gz FVWGBWUPWHQASU-SQNIBIBYSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001316810250 1384605723 /nfs/dbraw/zinc/60/57/23/1384605723.db2.gz HZDWYXJYDCADDA-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001316810250 1384605724 /nfs/dbraw/zinc/60/57/24/1384605724.db2.gz HZDWYXJYDCADDA-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001316812377 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GILSYNYQEUWTFZ-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(Cl)cc1 ZINC001317706357 1385409518 /nfs/dbraw/zinc/40/95/18/1385409518.db2.gz GILSYNYQEUWTFZ-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841320 1385527032 /nfs/dbraw/zinc/52/70/32/1385527032.db2.gz BNPXNYJQOMZYEI-DWTRPJMMSA-N 2 2 340.471 3.313 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841320 1385527034 /nfs/dbraw/zinc/52/70/34/1385527034.db2.gz BNPXNYJQOMZYEI-DWTRPJMMSA-N 2 2 340.471 3.313 10 0 EGAELP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC[C@H]1CCCCO1 ZINC001318558810 1385755841 /nfs/dbraw/zinc/75/58/41/1385755841.db2.gz RELUKKBQUUSIKM-QZTJIDSGSA-N 2 2 347.503 3.064 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319478214 1386139494 /nfs/dbraw/zinc/13/94/94/1386139494.db2.gz SGBOVRJHKRNMCM-IDTUSYRASA-N 2 2 328.460 3.359 10 0 EGAELP 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ZINC001732806746 1428984947 /nfs/dbraw/zinc/98/49/47/1428984947.db2.gz IMMHNWYPWGTPDX-UHFFFAOYSA-N 2 2 346.519 3.096 10 0 EGAELP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732960008 1429083526 /nfs/dbraw/zinc/08/35/26/1429083526.db2.gz KTJPUCIIFVTHMS-SHARSMKWSA-N 2 2 328.460 3.097 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707271692 1417277507 /nfs/dbraw/zinc/27/75/07/1417277507.db2.gz LVDSUZGZNHPTQI-KRWDZBQOSA-N 2 2 342.487 3.451 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707271692 1417277510 /nfs/dbraw/zinc/27/75/10/1417277510.db2.gz LVDSUZGZNHPTQI-KRWDZBQOSA-N 2 2 342.487 3.451 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001712975239 1417527822 /nfs/dbraw/zinc/52/78/22/1417527822.db2.gz VBYXXHVDXCJURL-CVEARBPZSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001712975239 1417527827 /nfs/dbraw/zinc/52/78/27/1417527827.db2.gz 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JGWAIPNWEWYKBQ-ZWKOTPCHSA-N 2 2 342.487 3.073 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001715401365 1420100049 /nfs/dbraw/zinc/10/00/49/1420100049.db2.gz MWCIOZPJZDNVFW-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001715448785 1420132641 /nfs/dbraw/zinc/13/26/41/1420132641.db2.gz WOTHHGATYHWSAM-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H](CC[NH2+]CCCC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715655870 1420280727 /nfs/dbraw/zinc/28/07/27/1420280727.db2.gz BTDRWZJIQKAROD-AWEZNQCLSA-N 2 2 328.460 3.241 10 0 EGAELP CCN(CC[NH2+]CCC1CCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001716229126 1420573439 /nfs/dbraw/zinc/57/34/39/1420573439.db2.gz GYQMTUATYSENCQ-UHFFFAOYSA-N 2 2 342.487 3.356 10 0 EGAELP O=C(NCC=CC[NH2+]CCCC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716310711 1420600510 /nfs/dbraw/zinc/60/05/10/1420600510.db2.gz QTXYCOJUEDHTPM-UPHRSURJSA-N 2 2 326.444 3.019 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001716579527 1420766455 /nfs/dbraw/zinc/76/64/55/1420766455.db2.gz UNJIZHXPHBPIDH-MRXNPFEDSA-N 2 2 342.487 3.195 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001716723390 1420881056 /nfs/dbraw/zinc/88/10/56/1420881056.db2.gz GOWLSADYOKIIAD-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001716723390 1420881057 /nfs/dbraw/zinc/88/10/57/1420881057.db2.gz GOWLSADYOKIIAD-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001716895293 1421021659 /nfs/dbraw/zinc/02/16/59/1421021659.db2.gz HHMHXNOWMHUXSQ-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001716895293 1421021661 /nfs/dbraw/zinc/02/16/61/1421021661.db2.gz HHMHXNOWMHUXSQ-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001716895293 1421021663 /nfs/dbraw/zinc/02/16/63/1421021663.db2.gz HHMHXNOWMHUXSQ-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001716895293 1421021666 /nfs/dbraw/zinc/02/16/66/1421021666.db2.gz HHMHXNOWMHUXSQ-HLIPFELVSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001716982676 1421060968 /nfs/dbraw/zinc/06/09/68/1421060968.db2.gz DBHFIQJBPREOIE-YJBOKZPZSA-N 2 2 342.487 3.131 10 0 EGAELP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001716999373 1421068983 /nfs/dbraw/zinc/06/89/83/1421068983.db2.gz BUEVTXVTWWDUDA-OKYOBFRVSA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001716999373 1421068984 /nfs/dbraw/zinc/06/89/84/1421068984.db2.gz BUEVTXVTWWDUDA-OKYOBFRVSA-N 2 2 346.519 3.240 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001717092050 1421105805 /nfs/dbraw/zinc/10/58/05/1421105805.db2.gz YOOZVNNENVSRSM-PBHICJAKSA-N 2 2 335.467 3.197 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312118 1421256491 /nfs/dbraw/zinc/25/64/91/1421256491.db2.gz PHVPLCSEDKAIOX-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312118 1421256492 /nfs/dbraw/zinc/25/64/92/1421256492.db2.gz PHVPLCSEDKAIOX-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001717312118 1421256494 /nfs/dbraw/zinc/25/64/94/1421256494.db2.gz PHVPLCSEDKAIOX-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC001717312118 1421256496 /nfs/dbraw/zinc/25/64/96/1421256496.db2.gz PHVPLCSEDKAIOX-NVXWUHKLSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001717455515 1421385148 /nfs/dbraw/zinc/38/51/48/1421385148.db2.gz PIWKDUVENNDUCE-UHFFFAOYSA-N 2 2 344.503 3.458 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001717831108 1421643355 /nfs/dbraw/zinc/64/33/55/1421643355.db2.gz XHSALISHFVOTBB-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001718004560 1421771127 /nfs/dbraw/zinc/77/11/27/1421771127.db2.gz WNRABSKBWIXGAT-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001718004560 1421771129 /nfs/dbraw/zinc/77/11/29/1421771129.db2.gz WNRABSKBWIXGAT-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944429 1424270476 /nfs/dbraw/zinc/27/04/76/1424270476.db2.gz VRIPSVQTUMOQON-WBVHZDCISA-N 2 2 342.487 3.487 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001722956495 1424278289 /nfs/dbraw/zinc/27/82/89/1424278289.db2.gz JTRCUGQDRSFIOA-RTBURBONSA-N 2 2 346.519 3.118 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529452 1429736227 /nfs/dbraw/zinc/73/62/27/1429736227.db2.gz USWCWIPJHZKMHE-MSNYOWOLSA-N 2 2 340.471 3.359 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001723948898 1424609967 /nfs/dbraw/zinc/60/99/67/1424609967.db2.gz DSNDZDHDIVQONP-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001724176153 1424712108 /nfs/dbraw/zinc/71/21/08/1424712108.db2.gz SHPNBUNZWREPKF-OXJNMPFZSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001724176153 1424712111 /nfs/dbraw/zinc/71/21/11/1424712111.db2.gz SHPNBUNZWREPKF-OXJNMPFZSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001724176153 1424712119 /nfs/dbraw/zinc/71/21/19/1424712119.db2.gz SHPNBUNZWREPKF-OXJNMPFZSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001724176153 1424712124 /nfs/dbraw/zinc/71/21/24/1424712124.db2.gz SHPNBUNZWREPKF-OXJNMPFZSA-N 2 2 344.503 3.059 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001724752092 1425122587 /nfs/dbraw/zinc/12/25/87/1425122587.db2.gz UQXMNQWEPNWLOR-WGSAOQKQSA-N 2 2 346.519 3.118 10 0 EGAELP CCC1([NH2+]CCC2CC2)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001724887404 1425272681 /nfs/dbraw/zinc/27/26/81/1425272681.db2.gz UCWPZMUVFPXPDJ-UHFFFAOYSA-N 2 2 340.471 3.109 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001724901778 1425295889 /nfs/dbraw/zinc/29/58/89/1425295889.db2.gz ZDEAALBLKOZWBP-FQEVSTJZSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001724901778 1425295893 /nfs/dbraw/zinc/29/58/93/1425295893.db2.gz ZDEAALBLKOZWBP-FQEVSTJZSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725041623 1425467136 /nfs/dbraw/zinc/46/71/36/1425467136.db2.gz OIUHFFCMPJRLAO-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725041623 1425467140 /nfs/dbraw/zinc/46/71/40/1425467140.db2.gz OIUHFFCMPJRLAO-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725041623 1425467142 /nfs/dbraw/zinc/46/71/42/1425467142.db2.gz OIUHFFCMPJRLAO-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725041623 1425467145 /nfs/dbraw/zinc/46/71/45/1425467145.db2.gz OIUHFFCMPJRLAO-GVDBMIGSSA-N 2 2 332.492 3.016 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293120 1425939222 /nfs/dbraw/zinc/93/92/22/1425939222.db2.gz XKBPRKCQCOYGMO-XZVRFQMRSA-N 2 2 346.519 3.110 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293120 1425939228 /nfs/dbraw/zinc/93/92/28/1425939228.db2.gz XKBPRKCQCOYGMO-XZVRFQMRSA-N 2 2 346.519 3.110 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001725362243 1426012341 /nfs/dbraw/zinc/01/23/41/1426012341.db2.gz XLDFOKJFRIDAMP-HDJSIYSDSA-N 2 2 343.393 3.057 10 0 EGAELP CC/C=C\CC[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001725421696 1426073182 /nfs/dbraw/zinc/07/31/82/1426073182.db2.gz YLAPOGOCJAYLOF-FPLPWBNLSA-N 2 2 346.519 3.206 10 0 EGAELP CC/C=C\CC[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001725421696 1426073185 /nfs/dbraw/zinc/07/31/85/1426073185.db2.gz YLAPOGOCJAYLOF-FPLPWBNLSA-N 2 2 346.519 3.206 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612385 1426272926 /nfs/dbraw/zinc/27/29/26/1426272926.db2.gz VYMFCFCNDKVVOR-WRWLIDTKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612385 1426272929 /nfs/dbraw/zinc/27/29/29/1426272929.db2.gz VYMFCFCNDKVVOR-WRWLIDTKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612385 1426272933 /nfs/dbraw/zinc/27/29/33/1426272933.db2.gz VYMFCFCNDKVVOR-WRWLIDTKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612385 1426272937 /nfs/dbraw/zinc/27/29/37/1426272937.db2.gz VYMFCFCNDKVVOR-WRWLIDTKSA-N 2 2 346.519 3.138 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731416763 1427388407 /nfs/dbraw/zinc/38/84/07/1427388407.db2.gz NJFTVJVVKJEUFK-SJORKVTESA-N 2 2 342.487 3.164 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731416763 1427388409 /nfs/dbraw/zinc/38/84/09/1427388409.db2.gz NJFTVJVVKJEUFK-SJORKVTESA-N 2 2 342.487 3.164 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001731518629 1427506292 /nfs/dbraw/zinc/50/62/92/1427506292.db2.gz SYUZOKRBMKHZCL-SFHVURJKSA-N 2 2 348.535 3.335 10 0 EGAELP Cc1ccc(C[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001731923455 1428171481 /nfs/dbraw/zinc/17/14/81/1428171481.db2.gz BGUPQMDBAQBCEY-UHFFFAOYSA-N 2 2 336.439 3.042 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCc2ccccc2F)c(C)[nH+]1 ZINC001731937398 1428176423 /nfs/dbraw/zinc/17/64/23/1428176423.db2.gz MZTCYUFXXWABCX-UHFFFAOYSA-N 2 2 343.446 3.050 10 0 EGAELP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731959157 1428183446 /nfs/dbraw/zinc/18/34/46/1428183446.db2.gz JBIRMKQZYPMJKW-KRWDZBQOSA-N 2 2 342.487 3.206 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760759 1429976202 /nfs/dbraw/zinc/97/62/02/1429976202.db2.gz MNXPXCHZXYRKBS-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760759 1429976205 /nfs/dbraw/zinc/97/62/05/1429976205.db2.gz MNXPXCHZXYRKBS-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001733774014 1430013169 /nfs/dbraw/zinc/01/31/69/1430013169.db2.gz GSSRXHXYACLVQO-UHFFFAOYSA-N 2 2 336.524 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001733774014 1430013173 /nfs/dbraw/zinc/01/31/73/1430013173.db2.gz GSSRXHXYACLVQO-UHFFFAOYSA-N 2 2 336.524 3.143 10 0 EGAELP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733779348 1430036347 /nfs/dbraw/zinc/03/63/47/1430036347.db2.gz OWFBRCNAOSLECJ-UHFFFAOYSA-N 2 2 340.471 3.232 10 0 EGAELP CC(C)=CC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733779348 1430036359 /nfs/dbraw/zinc/03/63/59/1430036359.db2.gz OWFBRCNAOSLECJ-UHFFFAOYSA-N 2 2 340.471 3.232 10 0 EGAELP CCC1([NH2+]CC(C)C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733804450 1430072954 /nfs/dbraw/zinc/07/29/54/1430072954.db2.gz BVHLMGPGHDOAEJ-UHFFFAOYSA-N 2 2 328.460 3.193 10 0 EGAELP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920348 1437734270 /nfs/dbraw/zinc/73/42/70/1437734270.db2.gz FWQARLDBUHAQKH-MRXNPFEDSA-N 2 2 348.535 3.294 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920348 1437734271 /nfs/dbraw/zinc/73/42/71/1437734271.db2.gz FWQARLDBUHAQKH-MRXNPFEDSA-N 2 2 348.535 3.294 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCCC1CCC1 ZINC001733980190 1437777648 /nfs/dbraw/zinc/77/76/48/1437777648.db2.gz CBCIACQMCHOIMZ-LSDHHAIUSA-N 2 2 328.460 3.011 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001734060467 1437854019 /nfs/dbraw/zinc/85/40/19/1437854019.db2.gz URRIQRWEJLGHJG-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001734060467 1437854022 /nfs/dbraw/zinc/85/40/22/1437854022.db2.gz URRIQRWEJLGHJG-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107125 1437893904 /nfs/dbraw/zinc/89/39/04/1437893904.db2.gz VXCOMOHJAKVXSO-DUMMIQTOSA-N 2 2 346.519 3.368 10 0 EGAELP CCC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107125 1437893905 /nfs/dbraw/zinc/89/39/05/1437893905.db2.gz VXCOMOHJAKVXSO-DUMMIQTOSA-N 2 2 346.519 3.368 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CC[C@H](C)F)C(C)C)ccn12 ZINC001734286337 1438014470 /nfs/dbraw/zinc/01/44/70/1438014470.db2.gz LXDDXKKBKZLCDS-WMLDXEAASA-N 2 2 348.466 3.125 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482260 1438127656 /nfs/dbraw/zinc/12/76/56/1438127656.db2.gz NTHYZKNGQCYJDV-MSOLQXFVSA-N 2 2 346.519 3.187 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001734552190 1438150305 /nfs/dbraw/zinc/15/03/05/1438150305.db2.gz WFCFOANUWSUYNH-QGZVFWFLSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001734552190 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Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367596980 168247002 /nfs/dbraw/zinc/24/70/02/168247002.db2.gz KWTTZJGBLHTDJF-YQVWRLOYSA-N 3 2 326.488 3.197 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367596980 168247004 /nfs/dbraw/zinc/24/70/04/168247004.db2.gz KWTTZJGBLHTDJF-YQVWRLOYSA-N 3 2 326.488 3.197 10 0 EGAELP CC(C)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000236709988 266211523 /nfs/dbraw/zinc/21/15/23/266211523.db2.gz AVANUOUOEVWUCG-UHFFFAOYSA-N 2 2 329.410 3.216 10 0 EGAELP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H]1C ZINC000280398611 275446195 /nfs/dbraw/zinc/44/61/95/275446195.db2.gz VLEWNBGOMHJRAS-JYJNAYRXSA-N 2 2 343.471 3.073 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000289410356 276334686 /nfs/dbraw/zinc/33/46/86/276334686.db2.gz PGSDMMKRQUYGQR-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000289410356 276334687 /nfs/dbraw/zinc/33/46/87/276334687.db2.gz PGSDMMKRQUYGQR-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc(C)c1O ZINC000290237259 276468769 /nfs/dbraw/zinc/46/87/69/276468769.db2.gz GJFGTQDJEXNSQF-GOSISDBHSA-N 2 2 340.471 3.156 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)c1 ZINC000414120662 309062116 /nfs/dbraw/zinc/06/21/16/309062116.db2.gz DIFLSWVVWQBFAP-MRXNPFEDSA-N 2 2 334.261 3.392 10 0 EGAELP FC(F)(F)c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414880109 309106982 /nfs/dbraw/zinc/10/69/82/309106982.db2.gz PYHPUHYIAVCWCD-UHFFFAOYSA-N 2 2 329.391 3.431 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059456 309117491 /nfs/dbraw/zinc/11/74/91/309117491.db2.gz WXEDHEWDOXWGTB-YOEHRIQHSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059456 309117492 /nfs/dbraw/zinc/11/74/92/309117492.db2.gz WXEDHEWDOXWGTB-YOEHRIQHSA-N 2 2 336.863 3.091 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000415295157 309130256 /nfs/dbraw/zinc/13/02/56/309130256.db2.gz PUNDACKPZAASMK-KBPBESRZSA-N 2 2 329.448 3.207 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385128 309285782 /nfs/dbraw/zinc/28/57/82/309285782.db2.gz FFXNKDJDIZIHDX-MJGOQNOKSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385128 309285783 /nfs/dbraw/zinc/28/57/83/309285783.db2.gz FFXNKDJDIZIHDX-MJGOQNOKSA-N 2 2 329.488 3.213 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccncc1Cl ZINC000421820629 309341469 /nfs/dbraw/zinc/34/14/69/309341469.db2.gz NCPVQPVFJJBREA-HNNXBMFYSA-N 2 2 345.874 3.418 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2OC)[C@H]2CCC[NH2+]2)cc1 ZINC000422763946 309367096 /nfs/dbraw/zinc/36/70/96/309367096.db2.gz PAININVDUJUDNV-CTNGQTDRSA-N 2 2 340.467 3.329 10 0 EGAELP COc1ccc([C@@H](NCc2[nH+]ccn2CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780612 309367852 /nfs/dbraw/zinc/36/78/52/309367852.db2.gz JMKNBRHMYOJSKN-AZUAARDMSA-N 2 2 342.487 3.131 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422819472 309370093 /nfs/dbraw/zinc/37/00/93/309370093.db2.gz IIVSPFUDCUHYIV-QINHECLXSA-N 2 2 325.456 3.166 10 0 EGAELP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422875250 309373272 /nfs/dbraw/zinc/37/32/72/309373272.db2.gz ORGJZWVOEXBCGU-RYGJVYDSSA-N 2 2 332.488 3.029 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939892 309377214 /nfs/dbraw/zinc/37/72/14/309377214.db2.gz GHAALIZGQPCQIA-BXKDBHETSA-N 2 2 349.219 3.138 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2O)[C@H]2CCC[NH2+]2)cc1 ZINC000422970487 309378928 /nfs/dbraw/zinc/37/89/28/309378928.db2.gz GIYDEYFKQKCBCA-QUCCMNQESA-N 2 2 326.440 3.026 10 0 EGAELP CC(C)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043652 309382533 /nfs/dbraw/zinc/38/25/33/309382533.db2.gz PLWKRCPYMBTYIX-DTJCXFNLSA-N 2 2 349.469 3.361 10 0 EGAELP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043652 309382534 /nfs/dbraw/zinc/38/25/34/309382534.db2.gz PLWKRCPYMBTYIX-DTJCXFNLSA-N 2 2 349.469 3.361 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046019 309382837 /nfs/dbraw/zinc/38/28/37/309382837.db2.gz DUFDAJJPGSTRDY-MDNKFWRPSA-N 2 2 330.472 3.036 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423053039 309383272 /nfs/dbraw/zinc/38/32/72/309383272.db2.gz RVIQYAJGQNLOSF-MHTWAQMVSA-N 2 2 344.499 3.283 10 0 EGAELP Clc1cccc(CC2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000423170381 309388950 /nfs/dbraw/zinc/38/89/50/309388950.db2.gz LTVLRIBDKADJHK-MSOLQXFVSA-N 2 2 334.891 3.019 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423234736 309391839 /nfs/dbraw/zinc/39/18/39/309391839.db2.gz FZIVRINCZFSCHP-CZUORRHYSA-N 2 2 330.428 3.063 10 0 EGAELP Cn1ccc([C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423345192 309396393 /nfs/dbraw/zinc/39/63/93/309396393.db2.gz OURHUGIZVYTDHF-MSOLQXFVSA-N 2 2 332.879 3.142 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000424150062 309431004 /nfs/dbraw/zinc/43/10/04/309431004.db2.gz XXKQSEDTYGMLEW-UHFFFAOYSA-N 2 2 328.460 3.033 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCc3[nH+]c4ccccc4n3C)C[C@H]2C1 ZINC000424307956 309437720 /nfs/dbraw/zinc/43/77/20/309437720.db2.gz YULVIRWEZWDFDR-GANOOXTDSA-N 2 2 327.472 3.299 10 0 EGAELP COCC[C@H]([NH2+]Cc1c[nH+]cn1Cc1ccccc1)c1ccco1 ZINC000445770050 309946973 /nfs/dbraw/zinc/94/69/73/309946973.db2.gz YFPQMROLSUUVOW-SFHVURJKSA-N 2 2 325.412 3.392 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449079586 310035352 /nfs/dbraw/zinc/03/53/52/310035352.db2.gz ZJNHOITVLMBTNX-LLVKDONJSA-N 2 2 334.395 3.463 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459686 310063813 /nfs/dbraw/zinc/06/38/13/310063813.db2.gz YLABOALJMDOQSM-SLFFLAALSA-N 2 2 325.456 3.388 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459686 310063814 /nfs/dbraw/zinc/06/38/14/310063814.db2.gz YLABOALJMDOQSM-SLFFLAALSA-N 2 2 325.456 3.388 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451593136 310188390 /nfs/dbraw/zinc/18/83/90/310188390.db2.gz CRTFKKLFHFINOM-VQTJNVASSA-N 2 2 325.456 3.067 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453089445 310257219 /nfs/dbraw/zinc/25/72/19/310257219.db2.gz NZXSVNVSIKPFBA-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453089445 310257220 /nfs/dbraw/zinc/25/72/20/310257220.db2.gz NZXSVNVSIKPFBA-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCCC[N@@H+]3CCO)ccc2c1 ZINC000453251575 310266737 /nfs/dbraw/zinc/26/67/37/310266737.db2.gz AXFPUIYVRPAEDN-OXQOHEQNSA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCCC[N@H+]3CCO)ccc2c1 ZINC000453251575 310266738 /nfs/dbraw/zinc/26/67/38/310266738.db2.gz AXFPUIYVRPAEDN-OXQOHEQNSA-N 2 2 342.483 3.346 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267237 310268150 /nfs/dbraw/zinc/26/81/50/310268150.db2.gz OYUUDVOEFXYPRE-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267237 310268151 /nfs/dbraw/zinc/26/81/51/310268151.db2.gz OYUUDVOEFXYPRE-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672703 310567944 /nfs/dbraw/zinc/56/79/44/310567944.db2.gz XYTQMLGDGZMXCR-NSHDSACASA-N 2 2 340.240 3.085 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059620 311162818 /nfs/dbraw/zinc/16/28/18/311162818.db2.gz STQBHTJZWQYZND-RBUKOAKNSA-N 2 2 337.552 3.125 10 0 EGAELP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059620 311162820 /nfs/dbraw/zinc/16/28/20/311162820.db2.gz STQBHTJZWQYZND-RBUKOAKNSA-N 2 2 337.552 3.125 10 0 EGAELP COc1ccccc1-c1ncc(C[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000491312359 311172901 /nfs/dbraw/zinc/17/29/01/311172901.db2.gz ZRYOUTPHROMQRA-UHFFFAOYSA-N 2 2 349.438 3.139 10 0 EGAELP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000494918867 311522556 /nfs/dbraw/zinc/52/25/56/311522556.db2.gz CIQITIXENREQBH-RBUKOAKNSA-N 2 2 343.515 3.106 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000506473264 312049697 /nfs/dbraw/zinc/04/96/97/312049697.db2.gz XBYLSIFIPWYOEW-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000506473264 312049698 /nfs/dbraw/zinc/04/96/98/312049698.db2.gz XBYLSIFIPWYOEW-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000506473264 312049700 /nfs/dbraw/zinc/04/97/00/312049700.db2.gz XBYLSIFIPWYOEW-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000506473264 312049701 /nfs/dbraw/zinc/04/97/01/312049701.db2.gz XBYLSIFIPWYOEW-MSOLQXFVSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1C[C@@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000511648091 312165662 /nfs/dbraw/zinc/16/56/62/312165662.db2.gz RXXREPMZBNIBHU-SJLPKXTDSA-N 2 2 336.483 3.489 10 0 EGAELP C[C@@H]1C[C@@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000511648091 312165664 /nfs/dbraw/zinc/16/56/64/312165664.db2.gz RXXREPMZBNIBHU-SJLPKXTDSA-N 2 2 336.483 3.489 10 0 EGAELP CCC1(C[NH2+][C@@H](C(=O)OC)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000513457270 312210611 /nfs/dbraw/zinc/21/06/11/312210611.db2.gz IOBDVHZGZZGFTJ-LJQANCHMSA-N 2 2 344.499 3.220 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000528116143 313018961 /nfs/dbraw/zinc/01/89/61/313018961.db2.gz VBVYGZBHWTWOSY-SFHVURJKSA-N 2 2 337.471 3.088 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000528116143 313018963 /nfs/dbraw/zinc/01/89/63/313018963.db2.gz VBVYGZBHWTWOSY-SFHVURJKSA-N 2 2 337.471 3.088 10 0 EGAELP OCc1ccc(F)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000528372677 313077004 /nfs/dbraw/zinc/07/70/04/313077004.db2.gz PXSJFTNZZRUCAU-SFHVURJKSA-N 2 2 334.479 3.406 10 0 EGAELP OCc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000528372677 313077007 /nfs/dbraw/zinc/07/70/07/313077007.db2.gz PXSJFTNZZRUCAU-SFHVURJKSA-N 2 2 334.479 3.406 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000528728378 313157226 /nfs/dbraw/zinc/15/72/26/313157226.db2.gz NKHKXJZSCKRJDH-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP COc1ccc(CN2CC[C@H]2C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000529644512 313377062 /nfs/dbraw/zinc/37/70/62/313377062.db2.gz NZKPOTOYXLOCIH-FQEVSTJZSA-N 2 2 339.483 3.195 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218308 313499797 /nfs/dbraw/zinc/49/97/97/313499797.db2.gz IPLXSDHNVFITNJ-HUUCEWRRSA-N 2 2 326.362 3.447 10 0 EGAELP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940174 314218223 /nfs/dbraw/zinc/21/82/23/314218223.db2.gz XXBYUPDOCLRXKD-UYAOXDASSA-N 3 2 329.532 3.219 10 0 EGAELP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940174 314218227 /nfs/dbraw/zinc/21/82/27/314218227.db2.gz XXBYUPDOCLRXKD-UYAOXDASSA-N 3 2 329.532 3.219 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635801 315028990 /nfs/dbraw/zinc/02/89/90/315028990.db2.gz CHUHJLQJGWFYNW-QAPCUYQASA-N 2 2 340.471 3.328 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCC34CCOCC4)C2)CC1 ZINC000558621905 315584659 /nfs/dbraw/zinc/58/46/59/315584659.db2.gz MBQJMMXXONYDKD-GPANFISMSA-N 2 2 346.437 3.341 10 0 EGAELP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000563895567 316088027 /nfs/dbraw/zinc/08/80/27/316088027.db2.gz VLKPWRNUTOYMJB-HNNXBMFYSA-N 2 2 343.446 3.059 10 0 EGAELP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896723 316385457 /nfs/dbraw/zinc/38/54/57/316385457.db2.gz UDBIFJKGISVWJP-BLLLJJGKSA-N 2 2 348.384 3.254 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571532089 317213247 /nfs/dbraw/zinc/21/32/47/317213247.db2.gz BLALENXSAGCXDG-INIZCTEOSA-N 2 2 338.411 3.232 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000350756446 324117998 /nfs/dbraw/zinc/11/79/98/324117998.db2.gz KRACDPAJUCBOHT-OKILXGFUSA-N 2 2 339.443 3.343 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000350756446 324118001 /nfs/dbraw/zinc/11/80/01/324118001.db2.gz KRACDPAJUCBOHT-OKILXGFUSA-N 2 2 339.443 3.343 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)[nH+]1 ZINC000578662484 325000855 /nfs/dbraw/zinc/00/08/55/325000855.db2.gz DFEJYORJDYJYGF-IBGZPJMESA-N 2 2 341.455 3.347 10 0 EGAELP Cc1[nH]c(CNc2ccc(C[NH+](C)C)c(Br)c2)[nH+]c1C ZINC000578906360 325036244 /nfs/dbraw/zinc/03/62/44/325036244.db2.gz NQKMBZYKYALGRM-UHFFFAOYSA-N 2 2 337.265 3.463 10 0 EGAELP Cn1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135438 325206209 /nfs/dbraw/zinc/20/62/09/325206209.db2.gz AVZJLJYTVYJTMA-KBXCAEBGSA-N 2 2 341.846 3.033 10 0 EGAELP Cn1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135438 325206211 /nfs/dbraw/zinc/20/62/11/325206211.db2.gz AVZJLJYTVYJTMA-KBXCAEBGSA-N 2 2 341.846 3.033 10 0 EGAELP Cc1nsc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581140920 325334593 /nfs/dbraw/zinc/33/45/93/325334593.db2.gz SXNLPWFYNIRSNC-HDICACEKSA-N 2 2 327.497 3.324 10 0 EGAELP Cc1nsc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581140920 325334596 /nfs/dbraw/zinc/33/45/96/325334596.db2.gz SXNLPWFYNIRSNC-HDICACEKSA-N 2 2 327.497 3.324 10 0 EGAELP Cc1nsc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581140920 325334599 /nfs/dbraw/zinc/33/45/99/325334599.db2.gz SXNLPWFYNIRSNC-HDICACEKSA-N 2 2 327.497 3.324 10 0 EGAELP Cc1nsc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581140920 325334601 /nfs/dbraw/zinc/33/46/01/325334601.db2.gz SXNLPWFYNIRSNC-HDICACEKSA-N 2 2 327.497 3.324 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000471219921 458685503 /nfs/dbraw/zinc/68/55/03/458685503.db2.gz UNVSXOVTASZIAW-MSOLQXFVSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000471219921 458685510 /nfs/dbraw/zinc/68/55/10/458685510.db2.gz UNVSXOVTASZIAW-MSOLQXFVSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000471219921 458685516 /nfs/dbraw/zinc/68/55/16/458685516.db2.gz UNVSXOVTASZIAW-MSOLQXFVSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000471219921 458685521 /nfs/dbraw/zinc/68/55/21/458685521.db2.gz UNVSXOVTASZIAW-MSOLQXFVSA-N 2 2 325.541 3.077 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000484925717 459435946 /nfs/dbraw/zinc/43/59/46/459435946.db2.gz OQRQNOCGTAZTKT-RBUKOAKNSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484925717 459435950 /nfs/dbraw/zinc/43/59/50/459435950.db2.gz OQRQNOCGTAZTKT-RBUKOAKNSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484925717 459435955 /nfs/dbraw/zinc/43/59/55/459435955.db2.gz OQRQNOCGTAZTKT-RBUKOAKNSA-N 2 2 339.568 3.322 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2(C)CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000180873447 455259261 /nfs/dbraw/zinc/25/92/61/455259261.db2.gz FGWRXCQWFDFORS-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000190443360 455318610 /nfs/dbraw/zinc/31/86/10/455318610.db2.gz UEPFYZHUNKMPQI-LBPRGKRZSA-N 2 2 338.249 3.395 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887355 460589875 /nfs/dbraw/zinc/58/98/75/460589875.db2.gz QQJDZCVHGGPVJK-GHTZIAJQSA-N 2 2 349.478 3.366 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887355 460589881 /nfs/dbraw/zinc/58/98/81/460589881.db2.gz QQJDZCVHGGPVJK-GHTZIAJQSA-N 2 2 349.478 3.366 10 0 EGAELP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)on2)cc1 ZINC000623564534 460615030 /nfs/dbraw/zinc/61/50/30/460615030.db2.gz IAVRRVOVAXQBDP-OAHLLOKOSA-N 2 2 329.444 3.313 10 0 EGAELP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)on2)cc1 ZINC000623564534 460615038 /nfs/dbraw/zinc/61/50/38/460615038.db2.gz IAVRRVOVAXQBDP-OAHLLOKOSA-N 2 2 329.444 3.313 10 0 EGAELP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612397835 460618688 /nfs/dbraw/zinc/61/86/88/460618688.db2.gz WTIKFXLKCDCOFP-HNNXBMFYSA-N 2 2 347.484 3.489 10 0 EGAELP CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612397835 460618696 /nfs/dbraw/zinc/61/86/96/460618696.db2.gz WTIKFXLKCDCOFP-HNNXBMFYSA-N 2 2 347.484 3.489 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000130904649 454224172 /nfs/dbraw/zinc/22/41/72/454224172.db2.gz FDYMHPIQPIAEFG-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000130904649 454224181 /nfs/dbraw/zinc/22/41/81/454224181.db2.gz FDYMHPIQPIAEFG-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Oc1ccc(F)cc1 ZINC000095968642 454242237 /nfs/dbraw/zinc/24/22/37/454242237.db2.gz PNNKKDKOLMUWEN-OAHLLOKOSA-N 2 2 329.419 3.247 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091961197 454496206 /nfs/dbraw/zinc/49/62/06/454496206.db2.gz DRTNZHWPBMHOHL-YOEHRIQHSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091961197 454496211 /nfs/dbraw/zinc/49/62/11/454496211.db2.gz DRTNZHWPBMHOHL-YOEHRIQHSA-N 2 2 339.468 3.485 10 0 EGAELP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000080488313 454589110 /nfs/dbraw/zinc/58/91/10/454589110.db2.gz OGUNJJNEVMDZIN-QGZVFWFLSA-N 2 2 344.503 3.066 10 0 EGAELP C[C@@H]1C[N@@H+]([C@@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000134957097 454616714 /nfs/dbraw/zinc/61/67/14/454616714.db2.gz OQIPXFBMPZZQIH-CJNGLKHVSA-N 2 2 342.468 3.498 10 0 EGAELP C[C@@H]1C[N@H+]([C@@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000134957097 454616719 /nfs/dbraw/zinc/61/67/19/454616719.db2.gz OQIPXFBMPZZQIH-CJNGLKHVSA-N 2 2 342.468 3.498 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000080980063 454664457 /nfs/dbraw/zinc/66/44/57/454664457.db2.gz JTTHEBSHMDDTNK-QGZVFWFLSA-N 2 2 335.455 3.243 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000080980063 454664465 /nfs/dbraw/zinc/66/44/65/454664465.db2.gz JTTHEBSHMDDTNK-QGZVFWFLSA-N 2 2 335.455 3.243 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193901 454690969 /nfs/dbraw/zinc/69/09/69/454690969.db2.gz OOOGJLHJVNJCNF-RISCZKNCSA-N 2 2 347.532 3.052 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193901 454690971 /nfs/dbraw/zinc/69/09/71/454690971.db2.gz OOOGJLHJVNJCNF-RISCZKNCSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193901 454690972 /nfs/dbraw/zinc/69/09/72/454690972.db2.gz OOOGJLHJVNJCNF-RISCZKNCSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193901 454690974 /nfs/dbraw/zinc/69/09/74/454690974.db2.gz OOOGJLHJVNJCNF-RISCZKNCSA-N 2 2 347.532 3.052 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644999 454727143 /nfs/dbraw/zinc/72/71/43/454727143.db2.gz WGHOHOYJHKVZME-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644999 454727146 /nfs/dbraw/zinc/72/71/46/454727146.db2.gz WGHOHOYJHKVZME-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644999 454727149 /nfs/dbraw/zinc/72/71/49/454727149.db2.gz WGHOHOYJHKVZME-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1OC ZINC000093644999 454727150 /nfs/dbraw/zinc/72/71/50/454727150.db2.gz WGHOHOYJHKVZME-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP Cc1cc(N(CC[NH+](C)C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000161891893 454732599 /nfs/dbraw/zinc/73/25/99/454732599.db2.gz WJNQYRNEZDCMRV-UHFFFAOYSA-N 2 2 347.466 3.415 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CCO1 ZINC000136370898 454738218 /nfs/dbraw/zinc/73/82/18/454738218.db2.gz ADYQREWIOSZXKS-INIZCTEOSA-N 2 2 344.499 3.085 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CCO1 ZINC000136370898 454738223 /nfs/dbraw/zinc/73/82/23/454738223.db2.gz ADYQREWIOSZXKS-INIZCTEOSA-N 2 2 344.499 3.085 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022515 454746406 /nfs/dbraw/zinc/74/64/06/454746406.db2.gz HHWALQAQANTSQX-WBMJQRKESA-N 2 2 332.448 3.109 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022515 454746410 /nfs/dbraw/zinc/74/64/10/454746410.db2.gz HHWALQAQANTSQX-WBMJQRKESA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022515 454746412 /nfs/dbraw/zinc/74/64/12/454746412.db2.gz HHWALQAQANTSQX-WBMJQRKESA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022515 454746417 /nfs/dbraw/zinc/74/64/17/454746417.db2.gz HHWALQAQANTSQX-WBMJQRKESA-N 2 2 332.448 3.109 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177000375 454810279 /nfs/dbraw/zinc/81/02/79/454810279.db2.gz CXXLIEURGBFDMF-KRWDZBQOSA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177000375 454810282 /nfs/dbraw/zinc/81/02/82/454810282.db2.gz CXXLIEURGBFDMF-KRWDZBQOSA-N 2 2 347.528 3.378 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3noc4c3CCCC4)C2)[nH+]1 ZINC000108858397 454814867 /nfs/dbraw/zinc/81/48/67/454814867.db2.gz GCAAMZHAVFMNDQ-OAHLLOKOSA-N 2 2 326.444 3.191 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)C2)[nH+]1 ZINC000108858397 454814869 /nfs/dbraw/zinc/81/48/69/454814869.db2.gz GCAAMZHAVFMNDQ-OAHLLOKOSA-N 2 2 326.444 3.191 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000178334505 454950117 /nfs/dbraw/zinc/95/01/17/454950117.db2.gz NNYFLHXLMKGJTN-GDBMZVCRSA-N 2 2 344.434 3.131 10 0 EGAELP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000178802236 454979647 /nfs/dbraw/zinc/97/96/47/454979647.db2.gz OWTUJOSDRWPSHQ-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000178802236 454979650 /nfs/dbraw/zinc/97/96/50/454979650.db2.gz OWTUJOSDRWPSHQ-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000156141957 455086114 /nfs/dbraw/zinc/08/61/14/455086114.db2.gz YTHAWDYAENILDU-OSAQELSMSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC[N@H+]1C ZINC000156141957 455086117 /nfs/dbraw/zinc/08/61/17/455086117.db2.gz YTHAWDYAENILDU-OSAQELSMSA-N 2 2 339.277 3.345 10 0 EGAELP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180133434 455138031 /nfs/dbraw/zinc/13/80/31/455138031.db2.gz MMHKBJVXWQDUOJ-LJQANCHMSA-N 2 2 343.471 3.271 10 0 EGAELP COCCCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180133434 455138034 /nfs/dbraw/zinc/13/80/34/455138034.db2.gz MMHKBJVXWQDUOJ-LJQANCHMSA-N 2 2 343.471 3.271 10 0 EGAELP Cc1cccc(C[NH+](CCCn2cc[nH+]c2)Cc2cccc(C)n2)n1 ZINC000182945706 455196865 /nfs/dbraw/zinc/19/68/65/455196865.db2.gz PRGVHTRKVBJCPY-UHFFFAOYSA-N 2 2 335.455 3.382 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245443408 455302177 /nfs/dbraw/zinc/30/21/77/455302177.db2.gz XDNACWLREIIMCI-SJLPKXTDSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245443408 455302182 /nfs/dbraw/zinc/30/21/82/455302182.db2.gz XDNACWLREIIMCI-SJLPKXTDSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245443408 455302186 /nfs/dbraw/zinc/30/21/86/455302186.db2.gz XDNACWLREIIMCI-SJLPKXTDSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245443408 455302187 /nfs/dbraw/zinc/30/21/87/455302187.db2.gz XDNACWLREIIMCI-SJLPKXTDSA-N 2 2 331.504 3.158 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000190472193 455326171 /nfs/dbraw/zinc/32/61/71/455326171.db2.gz ILTIARXMARFLAY-GOSISDBHSA-N 2 2 343.446 3.183 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000190472193 455326172 /nfs/dbraw/zinc/32/61/72/455326172.db2.gz ILTIARXMARFLAY-GOSISDBHSA-N 2 2 343.446 3.183 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1F ZINC000190472193 455326174 /nfs/dbraw/zinc/32/61/74/455326174.db2.gz ILTIARXMARFLAY-GOSISDBHSA-N 2 2 343.446 3.183 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484953 455329538 /nfs/dbraw/zinc/32/95/38/455329538.db2.gz ALPCYQISODTMBZ-QGZVFWFLSA-N 2 2 341.503 3.056 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484953 455329540 /nfs/dbraw/zinc/32/95/40/455329540.db2.gz ALPCYQISODTMBZ-QGZVFWFLSA-N 2 2 341.503 3.056 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484953 455329543 /nfs/dbraw/zinc/32/95/43/455329543.db2.gz ALPCYQISODTMBZ-QGZVFWFLSA-N 2 2 341.503 3.056 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484953 455329546 /nfs/dbraw/zinc/32/95/46/455329546.db2.gz ALPCYQISODTMBZ-QGZVFWFLSA-N 2 2 341.503 3.056 10 0 EGAELP Clc1ccc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000265516417 455337260 /nfs/dbraw/zinc/33/72/60/455337260.db2.gz RYBUQCJNTNUIQM-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000174283941 455376568 /nfs/dbraw/zinc/37/65/68/455376568.db2.gz NOHHUZFIGDVRBD-OLZOCXBDSA-N 2 2 347.413 3.116 10 0 EGAELP CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078079 455438160 /nfs/dbraw/zinc/43/81/60/455438160.db2.gz GCHCVURCWLCELX-MRXNPFEDSA-N 2 2 349.500 3.128 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000632179249 460672860 /nfs/dbraw/zinc/67/28/60/460672860.db2.gz NYGSPOLCYNHSKV-GOEBONIOSA-N 2 2 326.444 3.120 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000632179249 460672864 /nfs/dbraw/zinc/67/28/64/460672864.db2.gz NYGSPOLCYNHSKV-GOEBONIOSA-N 2 2 326.444 3.120 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175727152 455488928 /nfs/dbraw/zinc/48/89/28/455488928.db2.gz RBGAJAQLYDRGKF-BEFAXECRSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175727152 455488934 /nfs/dbraw/zinc/48/89/34/455488934.db2.gz RBGAJAQLYDRGKF-BEFAXECRSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175727152 455488936 /nfs/dbraw/zinc/48/89/36/455488936.db2.gz RBGAJAQLYDRGKF-BEFAXECRSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175727152 455488940 /nfs/dbraw/zinc/48/89/40/455488940.db2.gz RBGAJAQLYDRGKF-BEFAXECRSA-N 2 2 332.488 3.450 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000185204589 455520729 /nfs/dbraw/zinc/52/07/29/455520729.db2.gz ZIFJVMQVAFUTCN-AEFFLSMTSA-N 2 2 334.504 3.361 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770304 455523374 /nfs/dbraw/zinc/52/33/74/455523374.db2.gz OEDCRYNDMXOVSZ-QSFXBCCZSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770304 455523378 /nfs/dbraw/zinc/52/33/78/455523378.db2.gz OEDCRYNDMXOVSZ-QSFXBCCZSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770304 455523381 /nfs/dbraw/zinc/52/33/81/455523381.db2.gz OEDCRYNDMXOVSZ-QSFXBCCZSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770304 455523385 /nfs/dbraw/zinc/52/33/85/455523385.db2.gz OEDCRYNDMXOVSZ-QSFXBCCZSA-N 2 2 349.494 3.054 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000247160880 455568179 /nfs/dbraw/zinc/56/81/79/455568179.db2.gz UDTBMRJBOLQPBG-HIFRSBDPSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000247160880 455568181 /nfs/dbraw/zinc/56/81/81/455568181.db2.gz UDTBMRJBOLQPBG-HIFRSBDPSA-N 2 2 347.894 3.222 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247374272 455593057 /nfs/dbraw/zinc/59/30/57/455593057.db2.gz VBACHZJVOQYSCM-WMLDXEAASA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247374272 455593058 /nfs/dbraw/zinc/59/30/58/455593058.db2.gz VBACHZJVOQYSCM-WMLDXEAASA-N 2 2 335.398 3.094 10 0 EGAELP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271470079 455649653 /nfs/dbraw/zinc/64/96/53/455649653.db2.gz IIFHEKZOQHZGQB-PKOBYXMFSA-N 2 2 331.504 3.229 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248131124 455685873 /nfs/dbraw/zinc/68/58/73/455685873.db2.gz OLVJYYYCXYEEIK-OCCSQVGLSA-N 2 2 335.477 3.053 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248131124 455685878 /nfs/dbraw/zinc/68/58/78/455685878.db2.gz OLVJYYYCXYEEIK-OCCSQVGLSA-N 2 2 335.477 3.053 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201495 455697667 /nfs/dbraw/zinc/69/76/67/455697667.db2.gz YWAXORGIAUIKTF-RBUKOAKNSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201495 455697670 /nfs/dbraw/zinc/69/76/70/455697670.db2.gz YWAXORGIAUIKTF-RBUKOAKNSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201495 455697672 /nfs/dbraw/zinc/69/76/72/455697672.db2.gz YWAXORGIAUIKTF-RBUKOAKNSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201495 455697674 /nfs/dbraw/zinc/69/76/74/455697674.db2.gz YWAXORGIAUIKTF-RBUKOAKNSA-N 2 2 343.515 3.166 10 0 EGAELP Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540295 460692438 /nfs/dbraw/zinc/69/24/38/460692438.db2.gz GGFPECGJFJTTQV-SIKLNZKXSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540295 460692446 /nfs/dbraw/zinc/69/24/46/460692446.db2.gz GGFPECGJFJTTQV-SIKLNZKXSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000606540295 460692454 /nfs/dbraw/zinc/69/24/54/460692454.db2.gz GGFPECGJFJTTQV-SIKLNZKXSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000606540295 460692460 /nfs/dbraw/zinc/69/24/60/460692460.db2.gz GGFPECGJFJTTQV-SIKLNZKXSA-N 2 2 340.511 3.351 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285502132 455859320 /nfs/dbraw/zinc/85/93/20/455859320.db2.gz FEQZTIYFGZZYKR-CXAGYDPISA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285502132 455859327 /nfs/dbraw/zinc/85/93/27/455859327.db2.gz FEQZTIYFGZZYKR-CXAGYDPISA-N 2 2 347.846 3.406 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000195515843 455975192 /nfs/dbraw/zinc/97/51/92/455975192.db2.gz NTSKVSZZWRJRPV-AWEZNQCLSA-N 2 2 343.402 3.021 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000195515843 455975197 /nfs/dbraw/zinc/97/51/97/455975197.db2.gz NTSKVSZZWRJRPV-AWEZNQCLSA-N 2 2 343.402 3.021 10 0 EGAELP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741062 456202941 /nfs/dbraw/zinc/20/29/41/456202941.db2.gz XVTAVBSQTQYWHM-JKSUJKDBSA-N 2 2 345.874 3.314 10 0 EGAELP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741062 456202943 /nfs/dbraw/zinc/20/29/43/456202943.db2.gz XVTAVBSQTQYWHM-JKSUJKDBSA-N 2 2 345.874 3.314 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000297404354 456212208 /nfs/dbraw/zinc/21/22/08/456212208.db2.gz KTAGLHSLRZUDDD-LJQANCHMSA-N 2 2 349.482 3.121 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000297404354 456212214 /nfs/dbraw/zinc/21/22/14/456212214.db2.gz KTAGLHSLRZUDDD-LJQANCHMSA-N 2 2 349.482 3.121 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529319 456244226 /nfs/dbraw/zinc/24/42/26/456244226.db2.gz NWDGPNREZLKMJE-YLJYHZDGSA-N 3 2 334.467 3.477 10 0 EGAELP CCc1cc(NCC2CC[NH+](Cc3csc(C)n3)CC2)nc(C)[nH+]1 ZINC000302040767 456274412 /nfs/dbraw/zinc/27/44/12/456274412.db2.gz HWRWFKUYTNEZOG-UHFFFAOYSA-N 2 2 345.516 3.436 10 0 EGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281638383 456280153 /nfs/dbraw/zinc/28/01/53/456280153.db2.gz NBGUYXFHZHMHJG-UHFFFAOYSA-N 2 2 332.835 3.115 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OCc2ccccn2)c1 ZINC000290372159 456308729 /nfs/dbraw/zinc/30/87/29/456308729.db2.gz HNBHFJCULRAIMT-UHFFFAOYSA-N 2 2 336.439 3.379 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OCc2ccccn2)c1 ZINC000290372159 456308734 /nfs/dbraw/zinc/30/87/34/456308734.db2.gz HNBHFJCULRAIMT-UHFFFAOYSA-N 2 2 336.439 3.379 10 0 EGAELP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H]1C ZINC000353087409 456481137 /nfs/dbraw/zinc/48/11/37/456481137.db2.gz KRBDPNNVGGHWPA-AHEHRGJRSA-N 2 2 349.563 3.120 10 0 EGAELP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H]1C ZINC000353087409 456481140 /nfs/dbraw/zinc/48/11/40/456481140.db2.gz KRBDPNNVGGHWPA-AHEHRGJRSA-N 2 2 349.563 3.120 10 0 EGAELP CCCN(CC[NH+]1CCCC1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000343271662 456498561 /nfs/dbraw/zinc/49/85/61/456498561.db2.gz BFZOBDWBFCZUOW-UHFFFAOYSA-N 2 2 325.460 3.159 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)c1 ZINC000353263552 456597163 /nfs/dbraw/zinc/59/71/63/456597163.db2.gz GHDFTYJZYLDHEU-UHFFFAOYSA-N 2 2 341.455 3.038 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000337948346 456617437 /nfs/dbraw/zinc/61/74/37/456617437.db2.gz BYBWPLQMAIJTPY-HOTGVXAUSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000337948346 456617444 /nfs/dbraw/zinc/61/74/44/456617444.db2.gz BYBWPLQMAIJTPY-HOTGVXAUSA-N 2 2 339.439 3.429 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)[nH+]c1 ZINC000343453897 456631939 /nfs/dbraw/zinc/63/19/39/456631939.db2.gz TZBOAKMWYDTSJC-JENIJYKNSA-N 2 2 329.488 3.235 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000348641412 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ZINC000374202110 457521312 /nfs/dbraw/zinc/52/13/12/457521312.db2.gz ZJSBKENHMVPUPB-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208095 457522840 /nfs/dbraw/zinc/52/28/40/457522840.db2.gz LFMHFEYUYASPNR-LBPRGKRZSA-N 2 2 332.835 3.270 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374208016 457523101 /nfs/dbraw/zinc/52/31/01/457523101.db2.gz KOGHSMBNKUIRFG-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374213187 457524670 /nfs/dbraw/zinc/52/46/70/457524670.db2.gz STRVGXGPLRVYLL-FQEVSTJZSA-N 2 2 340.471 3.103 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000361285542 457679003 /nfs/dbraw/zinc/67/90/03/457679003.db2.gz DIMXPJZYALGOCU-DOTOQJQBSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000361285542 457679006 /nfs/dbraw/zinc/67/90/06/457679006.db2.gz 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ZINC000361381760 457713330 /nfs/dbraw/zinc/71/33/30/457713330.db2.gz QAXCABITINCSMQ-ICSRJNTNSA-N 2 2 345.487 3.299 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124507 457800720 /nfs/dbraw/zinc/80/07/20/457800720.db2.gz HEXXEJHOWPQTNA-CABZTGNLSA-N 2 2 349.219 3.090 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124507 457800725 /nfs/dbraw/zinc/80/07/25/457800725.db2.gz HEXXEJHOWPQTNA-CABZTGNLSA-N 2 2 349.219 3.090 10 0 EGAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371175159 457817810 /nfs/dbraw/zinc/81/78/10/457817810.db2.gz KFXCPWSCSDVQHA-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371175159 457817814 /nfs/dbraw/zinc/81/78/14/457817814.db2.gz KFXCPWSCSDVQHA-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361689782 457823232 /nfs/dbraw/zinc/82/32/32/457823232.db2.gz RKAXBVITIMMLML-SFHVURJKSA-N 2 2 327.428 3.098 10 0 EGAELP CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361689782 457823237 /nfs/dbraw/zinc/82/32/37/457823237.db2.gz RKAXBVITIMMLML-SFHVURJKSA-N 2 2 327.428 3.098 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000371346876 457877262 /nfs/dbraw/zinc/87/72/62/457877262.db2.gz AQZQZDWDSKBMIK-UZLBHIALSA-N 2 2 336.483 3.149 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@H+]1Cc1ccccc1 ZINC000371346876 457877268 /nfs/dbraw/zinc/87/72/68/457877268.db2.gz AQZQZDWDSKBMIK-UZLBHIALSA-N 2 2 336.483 3.149 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)cc2)c[nH+]1 ZINC000375399556 457915582 /nfs/dbraw/zinc/91/55/82/457915582.db2.gz CDLFXMDCRGBXGK-INIZCTEOSA-N 2 2 335.411 3.122 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)cc2)c[nH+]1 ZINC000375399556 457915587 /nfs/dbraw/zinc/91/55/87/457915587.db2.gz CDLFXMDCRGBXGK-INIZCTEOSA-N 2 2 335.411 3.122 10 0 EGAELP 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/nfs/dbraw/zinc/09/35/16/458093516.db2.gz TZNSDIWAQRPTBH-PXNSSMCTSA-N 2 2 335.455 3.211 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000445811724 458093518 /nfs/dbraw/zinc/09/35/18/458093518.db2.gz TZNSDIWAQRPTBH-PXNSSMCTSA-N 2 2 335.455 3.211 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)c(C)n2n1 ZINC000373524902 458517672 /nfs/dbraw/zinc/51/76/72/458517672.db2.gz VVUAKYFVAOWYSM-OOHWJJMZSA-N 2 2 327.476 3.014 10 0 EGAELP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377798152 458532047 /nfs/dbraw/zinc/53/20/47/458532047.db2.gz FAMQEXRKQRNSCR-ZYHUDNBSSA-N 2 2 337.370 3.228 10 0 EGAELP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377798152 458532053 /nfs/dbraw/zinc/53/20/53/458532053.db2.gz FAMQEXRKQRNSCR-ZYHUDNBSSA-N 2 2 337.370 3.228 10 0 EGAELP CC(C)n1cncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000424126770 458565385 /nfs/dbraw/zinc/56/53/85/458565385.db2.gz BWRLGJYBJLHJIE-UHFFFAOYSA-N 2 2 326.488 3.261 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424281100 458602538 /nfs/dbraw/zinc/60/25/38/458602538.db2.gz MUHIIFGBDZWMHS-QCZBUENISA-N 2 2 328.500 3.300 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424281100 458602545 /nfs/dbraw/zinc/60/25/45/458602545.db2.gz MUHIIFGBDZWMHS-QCZBUENISA-N 2 2 328.500 3.300 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000373836445 458619305 /nfs/dbraw/zinc/61/93/05/458619305.db2.gz LTHCCHZIOWWLKH-LBPRGKRZSA-N 2 2 326.375 3.110 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424345765 458622436 /nfs/dbraw/zinc/62/24/36/458622436.db2.gz IOSHQQJNVLJAFS-NDLGOLERSA-N 2 2 332.488 3.091 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245469 458729201 /nfs/dbraw/zinc/72/92/01/458729201.db2.gz YNBRAVGTOYOTCO-WMLDXEAASA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245469 458729205 /nfs/dbraw/zinc/72/92/05/458729205.db2.gz YNBRAVGTOYOTCO-WMLDXEAASA-N 2 2 342.405 3.345 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700528 458962460 /nfs/dbraw/zinc/96/24/60/458962460.db2.gz JJEJJKGPDCPNQC-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000531700528 458962466 /nfs/dbraw/zinc/96/24/66/458962466.db2.gz JJEJJKGPDCPNQC-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000594500860 459063214 /nfs/dbraw/zinc/06/32/14/459063214.db2.gz AGSBSSSSJLJKAV-GOSISDBHSA-N 2 2 339.439 3.173 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)n1C ZINC000594944754 459187291 /nfs/dbraw/zinc/18/72/91/459187291.db2.gz BRSGOXFVKNGPQQ-ZWKOTPCHSA-N 2 2 341.455 3.388 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(C)(C)C(F)(F)F)c2cc1C ZINC000568383346 459279001 /nfs/dbraw/zinc/27/90/01/459279001.db2.gz CLNPGLUSQLVEFZ-ZDUSSCGKSA-N 2 2 343.393 3.192 10 0 EGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082532 459310804 /nfs/dbraw/zinc/31/08/04/459310804.db2.gz HWDIYGFVRFNOQP-BBRMVZONSA-N 2 2 332.835 3.201 10 0 EGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082532 459310805 /nfs/dbraw/zinc/31/08/05/459310805.db2.gz HWDIYGFVRFNOQP-BBRMVZONSA-N 2 2 332.835 3.201 10 0 EGAELP C[C@H]1CCCC[C@H]1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165001 459422348 /nfs/dbraw/zinc/42/23/48/459422348.db2.gz RPTNJDYITZZNMQ-OALUTQOASA-N 2 2 349.563 3.269 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000484925717 459435940 /nfs/dbraw/zinc/43/59/40/459435940.db2.gz OQRQNOCGTAZTKT-RBUKOAKNSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000541534937 459464681 /nfs/dbraw/zinc/46/46/81/459464681.db2.gz HFYWXXVCROCHMJ-UHFFFAOYSA-N 3 2 332.517 3.486 10 0 EGAELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000541534937 459464691 /nfs/dbraw/zinc/46/46/91/459464691.db2.gz HFYWXXVCROCHMJ-UHFFFAOYSA-N 3 2 332.517 3.486 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000562100026 459510981 /nfs/dbraw/zinc/51/09/81/459510981.db2.gz MRZCSJANOZPODO-RHSMWYFYSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000562100026 459510985 /nfs/dbraw/zinc/51/09/85/459510985.db2.gz MRZCSJANOZPODO-RHSMWYFYSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000562100027 459511621 /nfs/dbraw/zinc/51/16/21/459511621.db2.gz MRZCSJANOZPODO-WMLDXEAASA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000562100027 459511626 /nfs/dbraw/zinc/51/16/26/459511626.db2.gz MRZCSJANOZPODO-WMLDXEAASA-N 2 2 340.471 3.397 10 0 EGAELP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc2ccccc21 ZINC000569919612 459530833 /nfs/dbraw/zinc/53/08/33/459530833.db2.gz GJKKWTWMZYGUKP-HRYATBACSA-N 2 2 339.483 3.265 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325117 459628773 /nfs/dbraw/zinc/62/87/73/459628773.db2.gz JHWCAGXCMCTUEF-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325117 459628780 /nfs/dbraw/zinc/62/87/80/459628780.db2.gz JHWCAGXCMCTUEF-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325117 459628783 /nfs/dbraw/zinc/62/87/83/459628783.db2.gz JHWCAGXCMCTUEF-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000527325117 459628788 /nfs/dbraw/zinc/62/87/88/459628788.db2.gz JHWCAGXCMCTUEF-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC(C)C[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000563007991 459693735 /nfs/dbraw/zinc/69/37/35/459693735.db2.gz QRNSKDHBALQKIS-FVQBIDKESA-N 2 2 332.410 3.265 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C[N@@H+]1Cc1ccccc1 ZINC000527806257 459744240 /nfs/dbraw/zinc/74/42/40/459744240.db2.gz LVYLRDOCWQDJRH-BLIXFSHQSA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C[N@H+]1Cc1ccccc1 ZINC000527806257 459744245 /nfs/dbraw/zinc/74/42/45/459744245.db2.gz LVYLRDOCWQDJRH-BLIXFSHQSA-N 2 2 349.478 3.066 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528010120 459796290 /nfs/dbraw/zinc/79/62/90/459796290.db2.gz IPCGHATYVLTVEA-LPHOPBHVSA-N 2 2 332.488 3.379 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528010120 459796293 /nfs/dbraw/zinc/79/62/93/459796293.db2.gz IPCGHATYVLTVEA-LPHOPBHVSA-N 2 2 332.488 3.379 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000597117271 459842654 /nfs/dbraw/zinc/84/26/54/459842654.db2.gz LVXVBOQOEALAKO-UHFFFAOYSA-N 2 2 336.863 3.233 10 0 EGAELP C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566351988 459847415 /nfs/dbraw/zinc/84/74/15/459847415.db2.gz OWQYXGRNUATTHS-UHFFFAOYSA-N 2 2 327.497 3.300 10 0 EGAELP C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566351988 459847421 /nfs/dbraw/zinc/84/74/21/459847421.db2.gz OWQYXGRNUATTHS-UHFFFAOYSA-N 2 2 327.497 3.300 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000585814704 459855538 /nfs/dbraw/zinc/85/55/38/459855538.db2.gz ZKKIYYXJRFIXLH-CQSZACIVSA-N 2 2 346.393 3.210 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000585814704 459855541 /nfs/dbraw/zinc/85/55/41/459855541.db2.gz ZKKIYYXJRFIXLH-CQSZACIVSA-N 2 2 346.393 3.210 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@@H+]1C ZINC000621717394 460022759 /nfs/dbraw/zinc/02/27/59/460022759.db2.gz CFBLBRDBBOPOCF-HKUYNNGSSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@H+]1C ZINC000621717394 460022763 /nfs/dbraw/zinc/02/27/63/460022763.db2.gz CFBLBRDBBOPOCF-HKUYNNGSSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717394 460022768 /nfs/dbraw/zinc/02/27/68/460022768.db2.gz CFBLBRDBBOPOCF-HKUYNNGSSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717394 460022773 /nfs/dbraw/zinc/02/27/73/460022773.db2.gz CFBLBRDBBOPOCF-HKUYNNGSSA-N 2 2 326.488 3.040 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728477 460033767 /nfs/dbraw/zinc/03/37/67/460033767.db2.gz QNKUMVZPCHHXRU-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728477 460033775 /nfs/dbraw/zinc/03/37/75/460033775.db2.gz QNKUMVZPCHHXRU-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728477 460033782 /nfs/dbraw/zinc/03/37/82/460033782.db2.gz QNKUMVZPCHHXRU-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728477 460033788 /nfs/dbraw/zinc/03/37/88/460033788.db2.gz QNKUMVZPCHHXRU-FPOVZHCZSA-N 2 2 338.499 3.042 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@@H]1n1cc[nH+]c1 ZINC000625260234 460093612 /nfs/dbraw/zinc/09/36/12/460093612.db2.gz BDFZSGDVEGNLMM-UGSOOPFHSA-N 2 2 340.402 3.269 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@@H]1n1cc[nH+]c1 ZINC000625260234 460093616 /nfs/dbraw/zinc/09/36/16/460093616.db2.gz BDFZSGDVEGNLMM-UGSOOPFHSA-N 2 2 340.402 3.269 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH+]c[nH]2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625259884 460094160 /nfs/dbraw/zinc/09/41/60/460094160.db2.gz JPBVWUOOTDGGTO-UHFFFAOYSA-N 2 2 326.375 3.092 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000576473287 460148466 /nfs/dbraw/zinc/14/84/66/460148466.db2.gz RUBLIOKTRHTZCX-HNNXBMFYSA-N 2 2 332.394 3.074 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000576473287 460148471 /nfs/dbraw/zinc/14/84/71/460148471.db2.gz RUBLIOKTRHTZCX-HNNXBMFYSA-N 2 2 332.394 3.074 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000599065855 460148733 /nfs/dbraw/zinc/14/87/33/460148733.db2.gz RZNIAFLBTNRTTB-PBWTXFEYSA-N 2 2 336.520 3.351 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000599065855 460148736 /nfs/dbraw/zinc/14/87/36/460148736.db2.gz RZNIAFLBTNRTTB-PBWTXFEYSA-N 2 2 336.520 3.351 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000576473288 460149672 /nfs/dbraw/zinc/14/96/72/460149672.db2.gz RUBLIOKTRHTZCX-OAHLLOKOSA-N 2 2 332.394 3.074 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000576473288 460149676 /nfs/dbraw/zinc/14/96/76/460149676.db2.gz RUBLIOKTRHTZCX-OAHLLOKOSA-N 2 2 332.394 3.074 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625746296 460250618 /nfs/dbraw/zinc/25/06/18/460250618.db2.gz GSFQFKLQQSEXMQ-NVXWUHKLSA-N 2 2 336.357 3.457 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000626087486 460366187 /nfs/dbraw/zinc/36/61/87/460366187.db2.gz PMZFQWZTQNVYMT-RTBURBONSA-N 2 2 338.536 3.159 10 0 EGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611524532 460387403 /nfs/dbraw/zinc/38/74/03/460387403.db2.gz PEZWZJPNVVHJKA-NVXWUHKLSA-N 2 2 343.471 3.414 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000628476179 460430937 /nfs/dbraw/zinc/43/09/37/460430937.db2.gz KGPBRLRUGDVEOF-IBGZPJMESA-N 2 2 330.516 3.442 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631665068 460499733 /nfs/dbraw/zinc/49/97/33/460499733.db2.gz VPHBABOCMWIDEI-KRWDZBQOSA-N 2 2 328.859 3.367 10 0 EGAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Oc2ccccc2)cn1 ZINC000629522058 460794497 /nfs/dbraw/zinc/79/44/97/460794497.db2.gz WRGGOBCXPDUFFF-HNNXBMFYSA-N 2 2 327.428 3.032 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056011 460839760 /nfs/dbraw/zinc/83/97/60/460839760.db2.gz VAUHXEHRCLCHSY-CRAIPNDOSA-N 2 2 347.466 3.336 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056011 460839765 /nfs/dbraw/zinc/83/97/65/460839765.db2.gz VAUHXEHRCLCHSY-CRAIPNDOSA-N 2 2 347.466 3.336 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188935 460901796 /nfs/dbraw/zinc/90/17/96/460901796.db2.gz MGTAKCOYQOELEV-VQIMIIECSA-N 2 2 329.488 3.035 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188935 460901800 /nfs/dbraw/zinc/90/18/00/460901800.db2.gz MGTAKCOYQOELEV-VQIMIIECSA-N 2 2 329.488 3.035 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022456 460998861 /nfs/dbraw/zinc/99/88/61/460998861.db2.gz HEOYOFBXDZSWFB-SJLPKXTDSA-N 2 2 344.434 3.019 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022456 460998864 /nfs/dbraw/zinc/99/88/64/460998864.db2.gz HEOYOFBXDZSWFB-SJLPKXTDSA-N 2 2 344.434 3.019 10 0 EGAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628173588 461033251 /nfs/dbraw/zinc/03/32/51/461033251.db2.gz BWAUJPQBNQVMIW-GFCCVEGCSA-N 2 2 334.357 3.150 10 0 EGAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628173588 461033259 /nfs/dbraw/zinc/03/32/59/461033259.db2.gz BWAUJPQBNQVMIW-GFCCVEGCSA-N 2 2 334.357 3.150 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1Br ZINC000628183448 461036030 /nfs/dbraw/zinc/03/60/30/461036030.db2.gz BVWDQFRBATZTNV-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ncc1Br ZINC000628183448 461036038 /nfs/dbraw/zinc/03/60/38/461036038.db2.gz BVWDQFRBATZTNV-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ncc1Br ZINC000628183448 461036039 /nfs/dbraw/zinc/03/60/39/461036039.db2.gz BVWDQFRBATZTNV-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ncc1Br ZINC000628183448 461036045 /nfs/dbraw/zinc/03/60/45/461036045.db2.gz BVWDQFRBATZTNV-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP CCc1nc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc(C)[nH+]1 ZINC000624699177 461094845 /nfs/dbraw/zinc/09/48/45/461094845.db2.gz XCGXOVGUSUNFDX-UHFFFAOYSA-N 2 2 335.455 3.151 10 0 EGAELP CCc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc(C)[nH+]1 ZINC000624702696 461095318 /nfs/dbraw/zinc/09/53/18/461095318.db2.gz DKYSLAMGBPHGNS-UHFFFAOYSA-N 2 2 335.455 3.151 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353359 461147829 /nfs/dbraw/zinc/14/78/29/461147829.db2.gz BLVBQNHGLTTWHJ-MAUKXSAKSA-N 2 2 331.504 3.199 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353359 461147834 /nfs/dbraw/zinc/14/78/34/461147834.db2.gz BLVBQNHGLTTWHJ-MAUKXSAKSA-N 2 2 331.504 3.199 10 0 EGAELP CC[N@H+](CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659283964 461274812 /nfs/dbraw/zinc/27/48/12/461274812.db2.gz DTNHIXMCIAXXQE-FQEVSTJZSA-N 2 2 337.467 3.254 10 0 EGAELP CC[N@@H+](CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659283964 461274818 /nfs/dbraw/zinc/27/48/18/461274818.db2.gz DTNHIXMCIAXXQE-FQEVSTJZSA-N 2 2 337.467 3.254 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CCO1 ZINC000668784343 461433834 /nfs/dbraw/zinc/43/38/34/461433834.db2.gz BLWGZLZOSWKGMS-OAHLLOKOSA-N 2 2 342.886 3.454 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CCO1 ZINC000668784343 461433842 /nfs/dbraw/zinc/43/38/42/461433842.db2.gz BLWGZLZOSWKGMS-OAHLLOKOSA-N 2 2 342.886 3.454 10 0 EGAELP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000631081129 461529915 /nfs/dbraw/zinc/52/99/15/461529915.db2.gz IZMUJWLKRHVSPW-HNNXBMFYSA-N 2 2 335.455 3.335 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631144799 461588107 /nfs/dbraw/zinc/58/81/07/461588107.db2.gz RWHRPYDOPIMIRT-GASCZTMLSA-N 2 2 326.444 3.069 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631144799 461588115 /nfs/dbraw/zinc/58/81/15/461588115.db2.gz RWHRPYDOPIMIRT-GASCZTMLSA-N 2 2 326.444 3.069 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@H](c2ccccc2)C1 ZINC000647248694 461589256 /nfs/dbraw/zinc/58/92/56/461589256.db2.gz SZZMMRVTYMYPRL-ZBFHGGJFSA-N 2 2 349.272 3.477 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)o2)[C@H](c2ccccc2)C1 ZINC000647248694 461589261 /nfs/dbraw/zinc/58/92/61/461589261.db2.gz SZZMMRVTYMYPRL-ZBFHGGJFSA-N 2 2 349.272 3.477 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3ccco3)CC2)[nH+]1 ZINC000663360500 461589498 /nfs/dbraw/zinc/58/94/98/461589498.db2.gz PSXKZHGQIZRTRW-UHFFFAOYSA-N 2 2 325.334 3.324 10 0 EGAELP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc2n(n1)CCCC2 ZINC000647281851 461607502 /nfs/dbraw/zinc/60/75/02/461607502.db2.gz MGPBOEFHRDECAR-KRWDZBQOSA-N 2 2 338.499 3.318 10 0 EGAELP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc2n(n1)CCCC2 ZINC000647281851 461607509 /nfs/dbraw/zinc/60/75/09/461607509.db2.gz MGPBOEFHRDECAR-KRWDZBQOSA-N 2 2 338.499 3.318 10 0 EGAELP COCc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631197151 461637356 /nfs/dbraw/zinc/63/73/56/461637356.db2.gz XTKHLSQZURSQTK-WBVHZDCISA-N 2 2 345.512 3.147 10 0 EGAELP COCc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631197151 461637361 /nfs/dbraw/zinc/63/73/61/461637361.db2.gz XTKHLSQZURSQTK-WBVHZDCISA-N 2 2 345.512 3.147 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631253189 461676233 /nfs/dbraw/zinc/67/62/33/461676233.db2.gz FEJYUKLRXUSUNU-JKSUJKDBSA-N 2 2 334.426 3.341 10 0 EGAELP CCOc1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480383 461726171 /nfs/dbraw/zinc/72/61/71/461726171.db2.gz LHJDMVZFMDBQFF-HKUYNNGSSA-N 2 2 348.535 3.210 10 0 EGAELP CCOc1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480383 461726180 /nfs/dbraw/zinc/72/61/80/461726180.db2.gz LHJDMVZFMDBQFF-HKUYNNGSSA-N 2 2 348.535 3.210 10 0 EGAELP c1cn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479912 461727458 /nfs/dbraw/zinc/72/74/58/461727458.db2.gz YACWFWCATPXBOR-CABCVRRESA-N 2 2 330.501 3.237 10 0 EGAELP c1cn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479912 461727467 /nfs/dbraw/zinc/72/74/67/461727467.db2.gz YACWFWCATPXBOR-CABCVRRESA-N 2 2 330.501 3.237 10 0 EGAELP Cc1cccc2nc(C3CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC3)oc21 ZINC000660371808 461738819 /nfs/dbraw/zinc/73/88/19/461738819.db2.gz SYWDIUJSBILAMA-QGZVFWFLSA-N 2 2 345.487 3.017 10 0 EGAELP Cc1cccc2nc(C3CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC3)oc21 ZINC000660371808 461738824 /nfs/dbraw/zinc/73/88/24/461738824.db2.gz SYWDIUJSBILAMA-QGZVFWFLSA-N 2 2 345.487 3.017 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000666690789 461761731 /nfs/dbraw/zinc/76/17/31/461761731.db2.gz KNTYKAZEKFCASU-QGZVFWFLSA-N 2 2 328.460 3.289 10 0 EGAELP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000647548933 461762958 /nfs/dbraw/zinc/76/29/58/461762958.db2.gz BAGLEUFMBFGYTH-LPHOPBHVSA-N 2 2 347.466 3.022 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553449 461764082 /nfs/dbraw/zinc/76/40/82/461764082.db2.gz ACNKGDSXCCVTOU-MOPGFXCFSA-N 2 2 330.472 3.009 10 0 EGAELP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669700344 461771522 /nfs/dbraw/zinc/77/15/22/461771522.db2.gz VNSQHOHYXDYHEV-FHWLQOOXSA-N 2 2 327.472 3.499 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647793375 461838399 /nfs/dbraw/zinc/83/83/99/461838399.db2.gz VYSGHYIVBVCILY-PXCRPINLSA-N 3 2 338.499 3.219 10 0 EGAELP Brc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784169 461894361 /nfs/dbraw/zinc/89/43/61/461894361.db2.gz ZGMKSDIZLHUCGJ-GFCCVEGCSA-N 2 2 344.322 3.117 10 0 EGAELP Brc1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784169 461894360 /nfs/dbraw/zinc/89/43/60/461894360.db2.gz ZGMKSDIZLHUCGJ-GFCCVEGCSA-N 2 2 344.322 3.117 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655623 461906825 /nfs/dbraw/zinc/90/68/25/461906825.db2.gz OFNFPOPIOQLSDT-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655623 461906831 /nfs/dbraw/zinc/90/68/31/461906831.db2.gz OFNFPOPIOQLSDT-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655623 461906836 /nfs/dbraw/zinc/90/68/36/461906836.db2.gz OFNFPOPIOQLSDT-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655623 461906844 /nfs/dbraw/zinc/90/68/44/461906844.db2.gz OFNFPOPIOQLSDT-HNAYVOBHSA-N 2 2 326.444 3.215 10 0 EGAELP Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000664010750 461912441 /nfs/dbraw/zinc/91/24/41/461912441.db2.gz GRRVRBOLDCVRKO-UHFFFAOYSA-N 2 2 343.446 3.373 10 0 EGAELP Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000664010750 461912447 /nfs/dbraw/zinc/91/24/47/461912447.db2.gz GRRVRBOLDCVRKO-UHFFFAOYSA-N 2 2 343.446 3.373 10 0 EGAELP CC1(C)C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000656980622 461948833 /nfs/dbraw/zinc/94/88/33/461948833.db2.gz ZPNKWPYERVNIMY-LJQANCHMSA-N 3 2 334.467 3.477 10 0 EGAELP CC1(C)C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000656980622 461948839 /nfs/dbraw/zinc/94/88/39/461948839.db2.gz ZPNKWPYERVNIMY-LJQANCHMSA-N 3 2 334.467 3.477 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000660915200 462020489 /nfs/dbraw/zinc/02/04/89/462020489.db2.gz YOUIAPUMHRCMIY-GOSISDBHSA-N 2 2 328.456 3.006 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000660915200 462020493 /nfs/dbraw/zinc/02/04/93/462020493.db2.gz YOUIAPUMHRCMIY-GOSISDBHSA-N 2 2 328.456 3.006 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000660915200 462020498 /nfs/dbraw/zinc/02/04/98/462020498.db2.gz YOUIAPUMHRCMIY-GOSISDBHSA-N 2 2 328.456 3.006 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000660915200 462020503 /nfs/dbraw/zinc/02/05/03/462020503.db2.gz YOUIAPUMHRCMIY-GOSISDBHSA-N 2 2 328.456 3.006 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644736182 462055805 /nfs/dbraw/zinc/05/58/05/462055805.db2.gz HUXAGKJIJOJNPC-YLJYHZDGSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644736182 462055813 /nfs/dbraw/zinc/05/58/13/462055813.db2.gz HUXAGKJIJOJNPC-YLJYHZDGSA-N 2 2 326.488 3.151 10 0 EGAELP c1[nH+]c2n(c1C[NH+]1CCC(CN3CCc4ccccc43)CC1)CCC2 ZINC000667546065 462136407 /nfs/dbraw/zinc/13/64/07/462136407.db2.gz OXKIQOGEHJFZPH-UHFFFAOYSA-N 2 2 336.483 3.104 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccccc2)O1 ZINC000667557092 462141581 /nfs/dbraw/zinc/14/15/81/462141581.db2.gz NAUFMSOSIFLHCK-OXJNMPFZSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccccc2)O1 ZINC000667557092 462141586 /nfs/dbraw/zinc/14/15/86/462141586.db2.gz NAUFMSOSIFLHCK-OXJNMPFZSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667618241 462175618 /nfs/dbraw/zinc/17/56/18/462175618.db2.gz QRYDAVWILPOVDE-PXNSSMCTSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667618241 462175625 /nfs/dbraw/zinc/17/56/25/462175625.db2.gz QRYDAVWILPOVDE-PXNSSMCTSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618241 462175628 /nfs/dbraw/zinc/17/56/28/462175628.db2.gz QRYDAVWILPOVDE-PXNSSMCTSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618241 462175634 /nfs/dbraw/zinc/17/56/34/462175634.db2.gz QRYDAVWILPOVDE-PXNSSMCTSA-N 2 2 338.499 3.314 10 0 EGAELP CC[C@H](O)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000667672215 462204604 /nfs/dbraw/zinc/20/46/04/462204604.db2.gz OIZMQYJHGHGIKG-FQEVSTJZSA-N 2 2 336.439 3.040 10 0 EGAELP CC[C@H](O)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000667672215 462204610 /nfs/dbraw/zinc/20/46/10/462204610.db2.gz OIZMQYJHGHGIKG-FQEVSTJZSA-N 2 2 336.439 3.040 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccsc2)O1 ZINC000667680965 462210126 /nfs/dbraw/zinc/21/01/26/462210126.db2.gz XPZQDJOQDQSDJT-RDTXWAMCSA-N 2 2 340.452 3.291 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccsc2)O1 ZINC000667680965 462210132 /nfs/dbraw/zinc/21/01/32/462210132.db2.gz XPZQDJOQDQSDJT-RDTXWAMCSA-N 2 2 340.452 3.291 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1F ZINC000657673377 462224727 /nfs/dbraw/zinc/22/47/27/462224727.db2.gz IRLYXTUANYIHLJ-UHFFFAOYSA-N 2 2 343.446 3.026 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(OC)c1 ZINC000667769788 462254008 /nfs/dbraw/zinc/25/40/08/462254008.db2.gz GSCXIKXVTKAEFY-RLLQIKCJSA-N 2 2 332.488 3.235 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000657979123 462335892 /nfs/dbraw/zinc/33/58/92/462335892.db2.gz PMGXSGKGNYDNLX-LSTHTHJFSA-N 2 2 334.504 3.099 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056462 462359361 /nfs/dbraw/zinc/35/93/61/462359361.db2.gz LJJDOVZWHRVAAW-HIFRSBDPSA-N 2 2 336.476 3.236 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056462 462359364 /nfs/dbraw/zinc/35/93/64/462359364.db2.gz LJJDOVZWHRVAAW-HIFRSBDPSA-N 2 2 336.476 3.236 10 0 EGAELP FCC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690875 462367182 /nfs/dbraw/zinc/36/71/82/462367182.db2.gz WFHISXSLJOJZFI-WOJBJXKFSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690875 462367186 /nfs/dbraw/zinc/36/71/86/462367186.db2.gz WFHISXSLJOJZFI-WOJBJXKFSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690875 462367193 /nfs/dbraw/zinc/36/71/93/462367193.db2.gz WFHISXSLJOJZFI-WOJBJXKFSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690875 462367199 /nfs/dbraw/zinc/36/71/99/462367199.db2.gz WFHISXSLJOJZFI-WOJBJXKFSA-N 2 2 334.479 3.349 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnc(C)s2)cc1F ZINC000665259338 462374705 /nfs/dbraw/zinc/37/47/05/462374705.db2.gz CFYJWCXUVMIWSF-WPGHFRTFSA-N 2 2 349.475 3.396 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665269729 462378596 /nfs/dbraw/zinc/37/85/96/462378596.db2.gz LWNMIYOTPVZCAX-LPTQZCDUSA-N 2 2 336.483 3.151 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665269729 462378601 /nfs/dbraw/zinc/37/86/01/462378601.db2.gz LWNMIYOTPVZCAX-LPTQZCDUSA-N 2 2 336.483 3.151 10 0 EGAELP c1ccc(N2CCC([NH2+]CCc3ccnc4ccccc34)CC2)[nH+]c1 ZINC000658127631 462396485 /nfs/dbraw/zinc/39/64/85/462396485.db2.gz NVJYTEMMHVFREI-UHFFFAOYSA-N 2 2 332.451 3.431 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000658228864 462435516 /nfs/dbraw/zinc/43/55/16/462435516.db2.gz XRAFLIXGZZDLPB-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000658228864 462435520 /nfs/dbraw/zinc/43/55/20/462435520.db2.gz XRAFLIXGZZDLPB-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317504 462475600 /nfs/dbraw/zinc/47/56/00/462475600.db2.gz LVOQYSOQVABIII-MOPGFXCFSA-N 2 2 336.483 3.220 10 0 EGAELP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317504 462475606 /nfs/dbraw/zinc/47/56/06/462475606.db2.gz LVOQYSOQVABIII-MOPGFXCFSA-N 2 2 336.483 3.220 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658340761 462482121 /nfs/dbraw/zinc/48/21/21/462482121.db2.gz DJJCPAIRRMUSJG-WBVHZDCISA-N 2 2 343.437 3.123 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658340761 462482124 /nfs/dbraw/zinc/48/21/24/462482124.db2.gz DJJCPAIRRMUSJG-WBVHZDCISA-N 2 2 343.437 3.123 10 0 EGAELP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246744443 536457733 /nfs/dbraw/zinc/45/77/33/536457733.db2.gz RETZIZYCEIJROQ-QFBILLFUSA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246744443 536457737 /nfs/dbraw/zinc/45/77/37/536457737.db2.gz RETZIZYCEIJROQ-QFBILLFUSA-N 2 2 339.439 3.038 10 0 EGAELP CCO[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCOCC2 ZINC000186280361 528098276 /nfs/dbraw/zinc/09/82/76/528098276.db2.gz KMOWCZVQMBAGLR-MSOLQXFVSA-N 2 2 343.471 3.059 10 0 EGAELP CC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)F ZINC000346224744 536152200 /nfs/dbraw/zinc/15/22/00/536152200.db2.gz QMWLPCLQZDEOEH-ZDUSSCGKSA-N 2 2 340.443 3.095 10 0 EGAELP CC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)F ZINC000346224744 536152202 /nfs/dbraw/zinc/15/22/02/536152202.db2.gz QMWLPCLQZDEOEH-ZDUSSCGKSA-N 2 2 340.443 3.095 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)[nH+]1 ZINC000081019280 546604451 /nfs/dbraw/zinc/60/44/51/546604451.db2.gz GRRHOMNTMGYMFJ-INIZCTEOSA-N 2 2 332.411 3.396 10 0 EGAELP Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151248672 546853158 /nfs/dbraw/zinc/85/31/58/546853158.db2.gz UINZEVHQUQUQHE-UHFFFAOYSA-N 2 2 340.452 3.429 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000188397644 547147649 /nfs/dbraw/zinc/14/76/49/547147649.db2.gz VFANFGWQGNZLBL-AWEZNQCLSA-N 2 2 337.370 3.158 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000188397644 547147650 /nfs/dbraw/zinc/14/76/50/547147650.db2.gz VFANFGWQGNZLBL-AWEZNQCLSA-N 2 2 337.370 3.158 10 0 EGAELP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231791 548706753 /nfs/dbraw/zinc/70/67/53/548706753.db2.gz PRYNHAIMPUBEKK-LAUBAEHRSA-N 2 2 342.483 3.268 10 0 EGAELP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231791 548706756 /nfs/dbraw/zinc/70/67/56/548706756.db2.gz PRYNHAIMPUBEKK-LAUBAEHRSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231791 548706757 /nfs/dbraw/zinc/70/67/57/548706757.db2.gz PRYNHAIMPUBEKK-LAUBAEHRSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231791 548706760 /nfs/dbraw/zinc/70/67/60/548706760.db2.gz PRYNHAIMPUBEKK-LAUBAEHRSA-N 2 2 342.483 3.268 10 0 EGAELP COc1cccc(F)c1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880611 548995210 /nfs/dbraw/zinc/99/52/10/548995210.db2.gz GKZIDCOMVUHMNV-GOEBONIOSA-N 2 2 336.451 3.128 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925866 549005821 /nfs/dbraw/zinc/00/58/21/549005821.db2.gz CHAWMIMOBQXQNU-MAUKXSAKSA-N 2 2 344.528 3.209 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925866 549005826 /nfs/dbraw/zinc/00/58/26/549005826.db2.gz CHAWMIMOBQXQNU-MAUKXSAKSA-N 2 2 344.528 3.209 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000675930729 549007026 /nfs/dbraw/zinc/00/70/26/549007026.db2.gz MSAQYTPLJXEESW-UHFFFAOYSA-N 2 2 326.488 3.090 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679728183 549769826 /nfs/dbraw/zinc/76/98/26/549769826.db2.gz KLUSETLKBPNNMQ-LSDHHAIUSA-N 2 2 341.459 3.109 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679728183 549769828 /nfs/dbraw/zinc/76/98/28/549769828.db2.gz KLUSETLKBPNNMQ-LSDHHAIUSA-N 2 2 341.459 3.109 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2ccccc2c1 ZINC000729919826 574895795 /nfs/dbraw/zinc/89/57/95/574895795.db2.gz FNTKCTCABUZJMW-LJQANCHMSA-N 2 2 334.423 3.312 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2ccccc2c1 ZINC000729919826 574895797 /nfs/dbraw/zinc/89/57/97/574895797.db2.gz FNTKCTCABUZJMW-LJQANCHMSA-N 2 2 334.423 3.312 10 0 EGAELP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391798 576778263 /nfs/dbraw/zinc/77/82/63/576778263.db2.gz MGNCXLKHNCCRPM-HNNXBMFYSA-N 2 2 335.407 3.494 10 0 EGAELP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000743368443 576807143 /nfs/dbraw/zinc/80/71/43/576807143.db2.gz OZEMAGMINNVZII-IRXDYDNUSA-N 2 2 344.846 3.105 10 0 EGAELP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000743368443 576807144 /nfs/dbraw/zinc/80/71/44/576807144.db2.gz OZEMAGMINNVZII-IRXDYDNUSA-N 2 2 344.846 3.105 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851994 576817014 /nfs/dbraw/zinc/81/70/14/576817014.db2.gz UPARYQWURCUCDH-OALUTQOASA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851994 576817015 /nfs/dbraw/zinc/81/70/15/576817015.db2.gz UPARYQWURCUCDH-OALUTQOASA-N 2 2 337.552 3.269 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432405 1298316885 /nfs/dbraw/zinc/31/68/85/1298316885.db2.gz AJSSHAAGYFRUSY-UFGOTCBOSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432405 1298316894 /nfs/dbraw/zinc/31/68/94/1298316894.db2.gz AJSSHAAGYFRUSY-UFGOTCBOSA-N 2 2 329.669 3.272 10 0 EGAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000176956704 1294645298 /nfs/dbraw/zinc/64/52/98/1294645298.db2.gz IILYYWKZYBADFF-KRWDZBQOSA-N 2 2 339.524 3.099 10 0 EGAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000176956704 1294645308 /nfs/dbraw/zinc/64/53/08/1294645308.db2.gz IILYYWKZYBADFF-KRWDZBQOSA-N 2 2 339.524 3.099 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754650 1322611144 /nfs/dbraw/zinc/61/11/44/1322611144.db2.gz QXURUMMXNKPUIO-GHMZBOCLSA-N 2 2 335.311 3.128 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657000 1297535902 /nfs/dbraw/zinc/53/59/02/1297535902.db2.gz REQUMSQMRCFWNL-XLIONFOSSA-N 2 2 337.467 3.268 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657000 1297535909 /nfs/dbraw/zinc/53/59/09/1297535909.db2.gz REQUMSQMRCFWNL-XLIONFOSSA-N 2 2 337.467 3.268 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050665 1306192544 /nfs/dbraw/zinc/19/25/44/1306192544.db2.gz SPNSBHCUCWSVPZ-PBHICJAKSA-N 2 2 335.492 3.087 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050665 1306192546 /nfs/dbraw/zinc/19/25/46/1306192546.db2.gz SPNSBHCUCWSVPZ-PBHICJAKSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050665 1306192549 /nfs/dbraw/zinc/19/25/49/1306192549.db2.gz SPNSBHCUCWSVPZ-PBHICJAKSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050665 1306192552 /nfs/dbraw/zinc/19/25/52/1306192552.db2.gz SPNSBHCUCWSVPZ-PBHICJAKSA-N 2 2 335.492 3.087 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cccc3c2CCOC3)c2cccc[nH+]2)CC1 ZINC000895115279 1309196861 /nfs/dbraw/zinc/19/68/61/1309196861.db2.gz OPRDDSLZKYPOHB-WGSAOQKQSA-N 2 2 337.467 3.431 10 0 EGAELP c1ccc(N2CC[C@@H](C[NH+]3CCC(Nc4cccc[nH+]4)CC3)C2)cc1 ZINC000896195014 1309739085 /nfs/dbraw/zinc/73/90/85/1309739085.db2.gz VWVIYHUXHPZIPW-SFHVURJKSA-N 2 2 336.483 3.484 10 0 EGAELP CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC000897522912 1310362213 /nfs/dbraw/zinc/36/22/13/1310362213.db2.gz XGQRGPXVQCHLJR-UHFFFAOYSA-N 2 2 328.460 3.407 10 0 EGAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159704 1328699447 /nfs/dbraw/zinc/69/94/47/1328699447.db2.gz CDXASKZBGNSVMW-ROUUACIJSA-N 2 2 343.515 3.180 10 0 EGAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159704 1328699452 /nfs/dbraw/zinc/69/94/52/1328699452.db2.gz CDXASKZBGNSVMW-ROUUACIJSA-N 2 2 343.515 3.180 10 0 EGAELP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061158 1328775241 /nfs/dbraw/zinc/77/52/41/1328775241.db2.gz ONSHHHZXYQYJMB-OXFYSEKESA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061158 1328775242 /nfs/dbraw/zinc/77/52/42/1328775242.db2.gz ONSHHHZXYQYJMB-OXFYSEKESA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061158 1328775243 /nfs/dbraw/zinc/77/52/43/1328775243.db2.gz ONSHHHZXYQYJMB-OXFYSEKESA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)c1ccc(O)cc1 ZINC000930061158 1328775244 /nfs/dbraw/zinc/77/52/44/1328775244.db2.gz ONSHHHZXYQYJMB-OXFYSEKESA-N 2 2 342.483 3.160 10 0 EGAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858533414 1328789768 /nfs/dbraw/zinc/78/97/68/1328789768.db2.gz SGITXHGVHYAUGX-HLLBOEOZSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858533414 1328789770 /nfs/dbraw/zinc/78/97/70/1328789770.db2.gz SGITXHGVHYAUGX-HLLBOEOZSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C[C@H](C)O1 ZINC000922742530 1322608054 /nfs/dbraw/zinc/60/80/54/1322608054.db2.gz IKMFXYOKHBWRPG-RUYXUALKSA-N 2 2 346.515 3.213 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C[C@H](C)O1 ZINC000922742530 1322608059 /nfs/dbraw/zinc/60/80/59/1322608059.db2.gz IKMFXYOKHBWRPG-RUYXUALKSA-N 2 2 346.515 3.213 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754652 1322611064 /nfs/dbraw/zinc/61/10/64/1322611064.db2.gz QXURUMMXNKPUIO-QWRGUYRKSA-N 2 2 335.311 3.128 10 0 EGAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924561392 1323055270 /nfs/dbraw/zinc/05/52/70/1323055270.db2.gz VWSCKQAEMDESJE-BBRMVZONSA-N 2 2 338.293 3.295 10 0 EGAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924561392 1323055265 /nfs/dbraw/zinc/05/52/65/1323055265.db2.gz VWSCKQAEMDESJE-BBRMVZONSA-N 2 2 338.293 3.295 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)n1 ZINC000924708060 1323125448 /nfs/dbraw/zinc/12/54/48/1323125448.db2.gz OKANGYJZFNINJT-HNNXBMFYSA-N 2 2 329.492 3.299 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925084786 1323273719 /nfs/dbraw/zinc/27/37/19/1323273719.db2.gz XJVGQBDWSXRPQG-HSALFYBXSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925084786 1323273730 /nfs/dbraw/zinc/27/37/30/1323273730.db2.gz XJVGQBDWSXRPQG-HSALFYBXSA-N 2 2 332.488 3.114 10 0 EGAELP Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000859799636 1329080472 /nfs/dbraw/zinc/08/04/72/1329080472.db2.gz RPVAVUDRIIBVRX-SFHVURJKSA-N 2 2 334.891 3.194 10 0 EGAELP Cc1cc(Cl)ccc1C1=CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000859799636 1329080479 /nfs/dbraw/zinc/08/04/79/1329080479.db2.gz RPVAVUDRIIBVRX-SFHVURJKSA-N 2 2 334.891 3.194 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931319749 1329092608 /nfs/dbraw/zinc/09/26/08/1329092608.db2.gz YTUUBRKPNOSWSH-WOJBJXKFSA-N 2 2 325.456 3.424 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1-c1ccncc1 ZINC000925443176 1325152432 /nfs/dbraw/zinc/15/24/32/1325152432.db2.gz NGVWSADALCSQKR-FUHWJXTLSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)nc1-c1ccncc1 ZINC000925443176 1325152437 /nfs/dbraw/zinc/15/24/37/1325152437.db2.gz NGVWSADALCSQKR-FUHWJXTLSA-N 2 2 342.512 3.354 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608429 1325230163 /nfs/dbraw/zinc/23/01/63/1325230163.db2.gz XQPXDNLIJAKEGN-SUMDDJOVSA-N 3 2 330.520 3.103 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612710 1325231876 /nfs/dbraw/zinc/23/18/76/1325231876.db2.gz TUXVEADWJCIXFK-ZAWLATJESA-N 2 2 331.504 3.173 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000925619118 1325233482 /nfs/dbraw/zinc/23/34/82/1325233482.db2.gz XTBQIWVEBLTOLR-FFZOFVMBSA-N 2 2 344.499 3.186 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925718408 1325267944 /nfs/dbraw/zinc/26/79/44/1325267944.db2.gz IICHQPZMWDXZCC-NDXORKPFSA-N 2 2 349.478 3.114 10 0 EGAELP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(COC[C@H]2CCCO2)c1 ZINC000925715450 1325268719 /nfs/dbraw/zinc/26/87/19/1325268719.db2.gz DJCBZDKAGZKPCT-UXHICEINSA-N 2 2 344.499 3.147 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000925728901 1325271777 /nfs/dbraw/zinc/27/17/77/1325271777.db2.gz FNJZMBSKTFERBG-GHTZIAJQSA-N 2 2 343.515 3.446 10 0 EGAELP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000925841332 1325324197 /nfs/dbraw/zinc/32/41/97/1325324197.db2.gz OHSWNBPKWUCMPD-BFYDXBDKSA-N 2 2 326.843 3.288 10 0 EGAELP Fc1ccc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cccnc2)cc1 ZINC000925847517 1325328073 /nfs/dbraw/zinc/32/80/73/1325328073.db2.gz VWLUZNMOOAKIRC-HSALFYBXSA-N 2 2 325.431 3.432 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926635216 1327644909 /nfs/dbraw/zinc/64/49/09/1327644909.db2.gz MILYPRXVTPCFOV-UHOSZYNNSA-N 2 2 338.499 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926635216 1327644917 /nfs/dbraw/zinc/64/49/17/1327644917.db2.gz MILYPRXVTPCFOV-UHOSZYNNSA-N 2 2 338.499 3.215 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060859 1327835364 /nfs/dbraw/zinc/83/53/64/1327835364.db2.gz DIRZASILMBFKTH-UXPWSPDFSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060859 1327835375 /nfs/dbraw/zinc/83/53/75/1327835375.db2.gz DIRZASILMBFKTH-UXPWSPDFSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000863983643 1329592637 /nfs/dbraw/zinc/59/26/37/1329592637.db2.gz KNKGNSFNYKHOJB-QAPCUYQASA-N 2 2 347.503 3.325 10 0 EGAELP Fc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1OC(F)(F)F ZINC000865425866 1329695798 /nfs/dbraw/zinc/69/57/98/1329695798.db2.gz UDFNTRAWNFGTHF-UHFFFAOYSA-N 2 2 331.313 3.491 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517002 1330120859 /nfs/dbraw/zinc/12/08/59/1330120859.db2.gz UOQNPYZISCFOBD-QXWDQEIOSA-N 3 2 344.547 3.145 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517002 1330120860 /nfs/dbraw/zinc/12/08/60/1330120860.db2.gz UOQNPYZISCFOBD-QXWDQEIOSA-N 3 2 344.547 3.145 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611779 1330132869 /nfs/dbraw/zinc/13/28/69/1330132869.db2.gz WUIDMKGTAVZXLD-WMLDXEAASA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611779 1330132870 /nfs/dbraw/zinc/13/28/70/1330132870.db2.gz WUIDMKGTAVZXLD-WMLDXEAASA-N 2 2 349.450 3.194 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263050 1387319863 /nfs/dbraw/zinc/31/98/63/1387319863.db2.gz QVJNWPCDVHEDIM-YIEVGGLXSA-N 2 2 326.444 3.113 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263050 1387319866 /nfs/dbraw/zinc/31/98/66/1387319866.db2.gz QVJNWPCDVHEDIM-YIEVGGLXSA-N 2 2 326.444 3.113 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641838 1387415620 /nfs/dbraw/zinc/41/56/20/1387415620.db2.gz KUKAIPIQQNZFMD-MSOLQXFVSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641838 1387415621 /nfs/dbraw/zinc/41/56/21/1387415621.db2.gz KUKAIPIQQNZFMD-MSOLQXFVSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001324835561 1387786472 /nfs/dbraw/zinc/78/64/72/1387786472.db2.gz ZCTNUYHLOSJNRG-HXUWFJFHSA-N 2 2 348.535 3.318 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324961194 1387855345 /nfs/dbraw/zinc/85/53/45/1387855345.db2.gz POMRDQDFDKVQGI-IEBWSBKVSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324961194 1387855350 /nfs/dbraw/zinc/85/53/50/1387855350.db2.gz POMRDQDFDKVQGI-IEBWSBKVSA-N 2 2 332.492 3.019 10 0 EGAELP FC(F)(F)SCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001193988865 1368162316 /nfs/dbraw/zinc/16/23/16/1368162316.db2.gz HSNPLQBRDNIDDN-GASCZTMLSA-N 2 2 330.419 3.303 10 0 EGAELP FC(F)(F)SCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001193988865 1368162321 /nfs/dbraw/zinc/16/23/21/1368162321.db2.gz HSNPLQBRDNIDDN-GASCZTMLSA-N 2 2 330.419 3.303 10 0 EGAELP FC(F)(F)SCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001193988865 1368162325 /nfs/dbraw/zinc/16/23/25/1368162325.db2.gz HSNPLQBRDNIDDN-GASCZTMLSA-N 2 2 330.419 3.303 10 0 EGAELP FC(F)(F)SCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001193988865 1368162327 /nfs/dbraw/zinc/16/23/27/1368162327.db2.gz HSNPLQBRDNIDDN-GASCZTMLSA-N 2 2 330.419 3.303 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001325530358 1387998172 /nfs/dbraw/zinc/99/81/72/1387998172.db2.gz JDVXAGTUFWJBQA-PQAMPZAHSA-N 2 2 340.471 3.217 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1OC ZINC001119444780 1371343894 /nfs/dbraw/zinc/34/38/94/1371343894.db2.gz BUCMZBMQBPEDIX-CQSZACIVSA-N 2 2 347.434 3.031 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1OC ZINC001119444780 1371343897 /nfs/dbraw/zinc/34/38/97/1371343897.db2.gz BUCMZBMQBPEDIX-CQSZACIVSA-N 2 2 347.434 3.031 10 0 EGAELP 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QBMZMHRXOZRNRD-QGZVFWFLSA-N 2 2 346.519 3.096 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCC(C)(C)C ZINC001329741103 1389214781 /nfs/dbraw/zinc/21/47/81/1389214781.db2.gz GSFOPXCCJGQWNO-BRWVUGGUSA-N 2 2 348.535 3.412 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCC(C)(C)C ZINC001329741103 1389214785 /nfs/dbraw/zinc/21/47/85/1389214785.db2.gz GSFOPXCCJGQWNO-BRWVUGGUSA-N 2 2 348.535 3.412 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001330053738 1389295182 /nfs/dbraw/zinc/29/51/82/1389295182.db2.gz KOXNGVZSJDVXDW-SJORKVTESA-N 2 2 344.503 3.161 10 0 EGAELP C[C@H](CCC[NH2+]Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001330864788 1389547729 /nfs/dbraw/zinc/54/77/29/1389547729.db2.gz BGJZVCRSOKSIII-MRXNPFEDSA-N 2 2 336.439 3.023 10 0 EGAELP Cc1cccc([C@H](C)[NH2+][C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001331224544 1389660304 /nfs/dbraw/zinc/66/03/04/1389660304.db2.gz VRHUGPSLSNOABZ-FUHWJXTLSA-N 2 2 342.487 3.142 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CCCCCC1 ZINC001331618053 1389832051 /nfs/dbraw/zinc/83/20/51/1389832051.db2.gz YUZJVEDEFLXRIE-HNNXBMFYSA-N 2 2 334.508 3.094 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cccnc1 ZINC001339194407 1389937525 /nfs/dbraw/zinc/93/75/25/1389937525.db2.gz MTXRDZDBGZGOBA-OALUTQOASA-N 2 2 329.875 3.485 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001332272215 1390072022 /nfs/dbraw/zinc/07/20/22/1390072022.db2.gz PNOOMLSEEOGMNS-ZWKOTPCHSA-N 2 2 348.535 3.237 10 0 EGAELP CCCCC[N@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001332719936 1390166849 /nfs/dbraw/zinc/16/68/49/1390166849.db2.gz GZNQEBCKPJAETF-UHFFFAOYSA-N 2 2 330.476 3.307 10 0 EGAELP CCCCC[N@@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001332719936 1390166851 /nfs/dbraw/zinc/16/68/51/1390166851.db2.gz GZNQEBCKPJAETF-UHFFFAOYSA-N 2 2 330.476 3.307 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](CCOC2CCSCC2)CC1 ZINC001333037935 1390240691 /nfs/dbraw/zinc/24/06/91/1390240691.db2.gz QITGMAQZEAHEFB-UHFFFAOYSA-N 2 2 336.501 3.145 10 0 EGAELP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC001348853119 1391275384 /nfs/dbraw/zinc/27/53/84/1391275384.db2.gz RPVXAHIGKARSFL-VNTMZGSJSA-N 2 2 325.431 3.305 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001353344485 1391993216 /nfs/dbraw/zinc/99/32/16/1391993216.db2.gz FKKVGQPPXIXNCM-YESZJQIVSA-N 2 2 346.519 3.074 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[N@H+]1C ZINC001353344485 1391993217 /nfs/dbraw/zinc/99/32/17/1391993217.db2.gz FKKVGQPPXIXNCM-YESZJQIVSA-N 2 2 346.519 3.074 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479737333 1392349671 /nfs/dbraw/zinc/34/96/71/1392349671.db2.gz MDIBNMAWNNGNPT-SFHVURJKSA-N 2 2 346.519 3.236 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479737333 1392349675 /nfs/dbraw/zinc/34/96/75/1392349675.db2.gz MDIBNMAWNNGNPT-SFHVURJKSA-N 2 2 346.519 3.236 10 0 EGAELP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479832257 1392418602 /nfs/dbraw/zinc/41/86/02/1392418602.db2.gz RCIAFOLZVVLPDR-HKUYNNGSSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001479835865 1392421219 /nfs/dbraw/zinc/42/12/19/1392421219.db2.gz YHDIFXBEMHOILS-LJJUJYJISA-N 2 2 346.519 3.068 10 0 EGAELP CC1(C)CCC(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)CC1 ZINC001479881251 1392455935 /nfs/dbraw/zinc/45/59/35/1392455935.db2.gz XPUZNTALAUFMPK-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)CCC(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)CC1 ZINC001479881251 1392455936 /nfs/dbraw/zinc/45/59/36/1392455936.db2.gz XPUZNTALAUFMPK-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480079386 1392569233 /nfs/dbraw/zinc/56/92/33/1392569233.db2.gz LPKOGPOIEPGXAC-KRWDZBQOSA-N 2 2 342.487 3.309 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480079386 1392569236 /nfs/dbraw/zinc/56/92/36/1392569236.db2.gz LPKOGPOIEPGXAC-KRWDZBQOSA-N 2 2 342.487 3.309 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480263878 1392649063 /nfs/dbraw/zinc/64/90/63/1392649063.db2.gz STRJWDLEZRJRGF-WMZOPIPTSA-N 2 2 334.508 3.099 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480263878 1392649068 /nfs/dbraw/zinc/64/90/68/1392649068.db2.gz STRJWDLEZRJRGF-WMZOPIPTSA-N 2 2 334.508 3.099 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480290250 1392662004 /nfs/dbraw/zinc/66/20/04/1392662004.db2.gz NIBRJLTZBOXIIH-KDOFPFPSSA-N 2 2 331.504 3.495 10 0 EGAELP CC[C@H](C)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001481350813 1393172790 /nfs/dbraw/zinc/17/27/90/1393172790.db2.gz SJTGANIMIZKHCJ-HNNXBMFYSA-N 2 2 330.476 3.439 10 0 EGAELP CC[C@H](C)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001481350813 1393172791 /nfs/dbraw/zinc/17/27/91/1393172791.db2.gz SJTGANIMIZKHCJ-HNNXBMFYSA-N 2 2 330.476 3.439 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001698935373 1406674486 /nfs/dbraw/zinc/67/44/86/1406674486.db2.gz FBNQUGNCGZWNBK-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001698935373 1406674489 /nfs/dbraw/zinc/67/44/89/1406674489.db2.gz FBNQUGNCGZWNBK-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP C[N@H+](CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)CCC(C)(C)C ZINC001698952380 1406694032 /nfs/dbraw/zinc/69/40/32/1406694032.db2.gz WZLPSEXAAQDDEI-UHFFFAOYSA-N 2 2 348.535 3.339 10 0 EGAELP C[N@@H+](CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)CCC(C)(C)C ZINC001698952380 1406694034 /nfs/dbraw/zinc/69/40/34/1406694034.db2.gz WZLPSEXAAQDDEI-UHFFFAOYSA-N 2 2 348.535 3.339 10 0 EGAELP C[N@H+](CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)CCC(C)(C)C ZINC001698952380 1406694039 /nfs/dbraw/zinc/69/40/39/1406694039.db2.gz WZLPSEXAAQDDEI-UHFFFAOYSA-N 2 2 348.535 3.339 10 0 EGAELP C[N@@H+](CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)CCC(C)(C)C ZINC001698952380 1406694046 /nfs/dbraw/zinc/69/40/46/1406694046.db2.gz WZLPSEXAAQDDEI-UHFFFAOYSA-N 2 2 348.535 3.339 10 0 EGAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCC1 ZINC001481832187 1394549613 /nfs/dbraw/zinc/54/96/13/1394549613.db2.gz HHPRUCMMLMIAGK-MRXNPFEDSA-N 2 2 328.460 3.013 10 0 EGAELP CC/C=C/CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001698964079 1406720561 /nfs/dbraw/zinc/72/05/61/1406720561.db2.gz ZDOICVARXSBOOD-IPLHWJFFSA-N 2 2 342.487 3.343 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001482340150 1394907848 /nfs/dbraw/zinc/90/78/48/1394907848.db2.gz ZQWONWKMEDYJHP-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001482354934 1394918215 /nfs/dbraw/zinc/91/82/15/1394918215.db2.gz VPMGVJIOKKDZDI-CVEARBPZSA-N 2 2 342.487 3.193 10 0 EGAELP 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C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001700863492 1414513020 /nfs/dbraw/zinc/51/30/20/1414513020.db2.gz ZVIKQRSJODXYJE-PKOBYXMFSA-N 2 2 344.503 3.133 10 0 EGAELP Cc1cccc([C@H](C)[N@@H+](C)CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001700974936 1414608032 /nfs/dbraw/zinc/60/80/32/1414608032.db2.gz GVCQSBYOMJSNSN-KRWDZBQOSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1cccc([C@H](C)[N@H+](C)CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001700974936 1414608036 /nfs/dbraw/zinc/60/80/36/1414608036.db2.gz GVCQSBYOMJSNSN-KRWDZBQOSA-N 2 2 342.487 3.191 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700987356 1414630007 /nfs/dbraw/zinc/63/00/07/1414630007.db2.gz RMSIGCZBWMGVBR-SFHVURJKSA-N 2 2 342.487 3.487 10 0 EGAELP CCCCC[N@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001701052702 1414708834 /nfs/dbraw/zinc/70/88/34/1414708834.db2.gz MSZZBISFNZSEKH-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP CCCCC[N@@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001701052702 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MEXQPUQPDXZTGZ-LAQIPUCWSA-N 2 2 340.471 3.030 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001732942378 1429066222 /nfs/dbraw/zinc/06/62/22/1429066222.db2.gz MEXQPUQPDXZTGZ-BDUNBXCCSA-N 2 2 340.471 3.030 10 0 EGAELP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707134230 1417216451 /nfs/dbraw/zinc/21/64/51/1417216451.db2.gz MNWOTQRHHOEMDO-KSSFIOAISA-N 2 2 328.460 3.193 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001707239076 1417259581 /nfs/dbraw/zinc/25/95/81/1417259581.db2.gz BFPZERTYMSRUJD-GOSISDBHSA-N 2 2 334.508 3.214 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001707261344 1417270375 /nfs/dbraw/zinc/27/03/75/1417270375.db2.gz QXJSYOBAFGIZBK-BBWFWOEESA-N 2 2 334.508 3.240 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001707261344 1417270381 /nfs/dbraw/zinc/27/03/81/1417270381.db2.gz QXJSYOBAFGIZBK-BBWFWOEESA-N 2 2 334.508 3.240 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001712998626 1417550691 /nfs/dbraw/zinc/55/06/91/1417550691.db2.gz GHKXZLPHRYDAHA-QZTJIDSGSA-N 2 2 348.535 3.459 10 0 EGAELP CC/C=C/CC[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713054831 1417607107 /nfs/dbraw/zinc/60/71/07/1417607107.db2.gz VMFKKLJARXAADE-SNAWJCMRSA-N 2 2 340.471 3.227 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085142 1417631084 /nfs/dbraw/zinc/63/10/84/1417631084.db2.gz YWYMFRSFXIRKFJ-OAJJDEHYSA-N 2 2 338.455 3.033 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085142 1417631087 /nfs/dbraw/zinc/63/10/87/1417631087.db2.gz YWYMFRSFXIRKFJ-OAJJDEHYSA-N 2 2 338.455 3.033 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001713111212 1417672912 /nfs/dbraw/zinc/67/29/12/1417672912.db2.gz HKKFNLWXYMYAIH-GOSISDBHSA-N 2 2 342.487 3.487 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001713223731 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CC(C)=CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724301488 1424784502 /nfs/dbraw/zinc/78/45/02/1424784502.db2.gz RIVQPHGAAHQIHM-QGZVFWFLSA-N 2 2 332.492 3.019 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001724323749 1424810712 /nfs/dbraw/zinc/81/07/12/1424810712.db2.gz NFXOXFHOHOUBLR-HLIPFELVSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001724323749 1424810717 /nfs/dbraw/zinc/81/07/17/1424810717.db2.gz NFXOXFHOHOUBLR-HLIPFELVSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001724323749 1424810724 /nfs/dbraw/zinc/81/07/24/1424810724.db2.gz NFXOXFHOHOUBLR-HLIPFELVSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001724323749 1424810727 /nfs/dbraw/zinc/81/07/27/1424810727.db2.gz NFXOXFHOHOUBLR-HLIPFELVSA-N 2 2 346.519 3.312 10 0 EGAELP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001724891129 1425278039 /nfs/dbraw/zinc/27/80/39/1425278039.db2.gz LCBSWAVBKIBIRQ-KRWDZBQOSA-N 2 2 334.508 3.070 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCC2=CCCCC2)c[nH+]1 ZINC001725180673 1425705638 /nfs/dbraw/zinc/70/56/38/1425705638.db2.gz WNAZDSFVZATETB-QGZVFWFLSA-N 2 2 346.519 3.254 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCC2=CCCCC2)c[nH+]1 ZINC001725180673 1425705640 /nfs/dbraw/zinc/70/56/40/1425705640.db2.gz WNAZDSFVZATETB-QGZVFWFLSA-N 2 2 346.519 3.254 10 0 EGAELP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292441 1425938492 /nfs/dbraw/zinc/93/84/92/1425938492.db2.gz WFOOBCWKKBSBQZ-QZTJIDSGSA-N 2 2 346.519 3.263 10 0 EGAELP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292441 1425938495 /nfs/dbraw/zinc/93/84/95/1425938495.db2.gz WFOOBCWKKBSBQZ-QZTJIDSGSA-N 2 2 346.519 3.263 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC001725414847 1426060029 /nfs/dbraw/zinc/06/00/29/1426060029.db2.gz RBFSFAMTTMHCTR-KGLIPLIRSA-N 2 2 346.450 3.035 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725732578 1426404271 /nfs/dbraw/zinc/40/42/71/1426404271.db2.gz KAWSFOCDUFVEHN-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725732578 1426404273 /nfs/dbraw/zinc/40/42/73/1426404273.db2.gz KAWSFOCDUFVEHN-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725775548 1426459251 /nfs/dbraw/zinc/45/92/51/1426459251.db2.gz LUZNWFPICWCWLO-SJORKVTESA-N 2 2 348.535 3.487 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731387217 1427334567 /nfs/dbraw/zinc/33/45/67/1427334567.db2.gz FJNJNJDHXNXHRR-UHFFFAOYSA-N 2 2 348.535 3.412 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731429322 1427411355 /nfs/dbraw/zinc/41/13/55/1427411355.db2.gz KBINKKGVDXUZPJ-YESZJQIVSA-N 2 2 346.519 3.045 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731429322 1427411358 /nfs/dbraw/zinc/41/13/58/1427411358.db2.gz KBINKKGVDXUZPJ-YESZJQIVSA-N 2 2 346.519 3.045 10 0 EGAELP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C2CC2)cc1 ZINC001731775672 1427891065 /nfs/dbraw/zinc/89/10/65/1427891065.db2.gz HBAGPNBQBQKDSM-UHFFFAOYSA-N 2 2 348.450 3.302 10 0 EGAELP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C2CC2)cc1 ZINC001731775672 1427891069 /nfs/dbraw/zinc/89/10/69/1427891069.db2.gz HBAGPNBQBQKDSM-UHFFFAOYSA-N 2 2 348.450 3.302 10 0 EGAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001733579550 1429783273 /nfs/dbraw/zinc/78/32/73/1429783273.db2.gz PVUUJMNIYSUXEW-BMRADRMJSA-N 2 2 343.515 3.022 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938456 1437754500 /nfs/dbraw/zinc/75/45/00/1437754500.db2.gz WNBFFVGZSRWBIQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938456 1437754503 /nfs/dbraw/zinc/75/45/03/1437754503.db2.gz WNBFFVGZSRWBIQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938456 1437754505 /nfs/dbraw/zinc/75/45/05/1437754505.db2.gz WNBFFVGZSRWBIQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938456 1437754506 /nfs/dbraw/zinc/75/45/06/1437754506.db2.gz WNBFFVGZSRWBIQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001734256764 1437971768 /nfs/dbraw/zinc/97/17/68/1437971768.db2.gz NNLYXGCYBUUCFX-IAGOWNOFSA-N 2 2 342.487 3.205 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001734392314 1438079511 /nfs/dbraw/zinc/07/95/11/1438079511.db2.gz AJUFZOXEKUTWME-QFBILLFUSA-N 2 2 340.471 3.255 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001734613643 1438187444 /nfs/dbraw/zinc/18/74/44/1438187444.db2.gz QWNIVPJKNHJACJ-MJGOQNOKSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750943132 1440117223 /nfs/dbraw/zinc/11/72/23/1440117223.db2.gz CGUUQIWUYVRRAI-ZWKOTPCHSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750943132 1440117225 /nfs/dbraw/zinc/11/72/25/1440117225.db2.gz CGUUQIWUYVRRAI-ZWKOTPCHSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001750945219 1440118135 /nfs/dbraw/zinc/11/81/35/1440118135.db2.gz RQNBGOKBHARMSN-MRXNPFEDSA-N 2 2 334.508 3.058 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001750945219 1440118136 /nfs/dbraw/zinc/11/81/36/1440118136.db2.gz RQNBGOKBHARMSN-MRXNPFEDSA-N 2 2 334.508 3.058 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000361328570 282078767 /nfs/dbraw/zinc/07/87/67/282078767.db2.gz NRKFXGZIIBQSFM-UHFFFAOYSA-N 2 2 342.487 3.293 10 0 EGAELP c1ccc(N2CCC([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)[nH+]c1 ZINC000368517665 168367372 /nfs/dbraw/zinc/36/73/72/168367372.db2.gz JCFOIMNQUDMCLX-MRXNPFEDSA-N 2 2 332.451 3.289 10 0 EGAELP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916513 213174461 /nfs/dbraw/zinc/17/44/61/213174461.db2.gz WSDMQSUOTXNGNL-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916513 213174465 /nfs/dbraw/zinc/17/44/65/213174465.db2.gz WSDMQSUOTXNGNL-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000246963625 243342420 /nfs/dbraw/zinc/34/24/20/243342420.db2.gz OHISJJLOEOQMQZ-VQTJNVASSA-N 2 2 328.500 3.385 10 0 EGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000246963625 243342423 /nfs/dbraw/zinc/34/24/23/243342423.db2.gz OHISJJLOEOQMQZ-VQTJNVASSA-N 2 2 328.500 3.385 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247154530 243380542 /nfs/dbraw/zinc/38/05/42/243380542.db2.gz LVFAEOZHHAEFFZ-XJKSGUPXSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247154530 243380547 /nfs/dbraw/zinc/38/05/47/243380547.db2.gz LVFAEOZHHAEFFZ-XJKSGUPXSA-N 2 2 335.398 3.094 10 0 EGAELP COCCOc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812875 218170352 /nfs/dbraw/zinc/17/03/52/218170352.db2.gz VUXLKINZLHITDH-GOSISDBHSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812875 218170355 /nfs/dbraw/zinc/17/03/55/218170355.db2.gz VUXLKINZLHITDH-GOSISDBHSA-N 2 2 341.455 3.041 10 0 EGAELP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644278 218238500 /nfs/dbraw/zinc/23/85/00/218238500.db2.gz LRHRRPZBJKBUAU-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644278 218238502 /nfs/dbraw/zinc/23/85/02/218238502.db2.gz LRHRRPZBJKBUAU-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644278 218238504 /nfs/dbraw/zinc/23/85/04/218238504.db2.gz LRHRRPZBJKBUAU-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644278 218238506 /nfs/dbraw/zinc/23/85/06/218238506.db2.gz LRHRRPZBJKBUAU-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000328627848 258031760 /nfs/dbraw/zinc/03/17/60/258031760.db2.gz GQHWHOWCXREYDL-FUHWJXTLSA-N 2 2 332.517 3.387 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000328627848 258031762 /nfs/dbraw/zinc/03/17/62/258031762.db2.gz GQHWHOWCXREYDL-FUHWJXTLSA-N 2 2 332.517 3.387 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000328627848 258031764 /nfs/dbraw/zinc/03/17/64/258031764.db2.gz GQHWHOWCXREYDL-FUHWJXTLSA-N 2 2 332.517 3.387 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000328627848 258031765 /nfs/dbraw/zinc/03/17/65/258031765.db2.gz GQHWHOWCXREYDL-FUHWJXTLSA-N 2 2 332.517 3.387 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127775408 143955710 /nfs/dbraw/zinc/95/57/10/143955710.db2.gz VJHMTFMUAYYNJC-UHFFFAOYSA-N 2 2 340.471 3.146 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000344684339 144209152 /nfs/dbraw/zinc/20/91/52/144209152.db2.gz XMCGMSUFVHBALZ-FXAWDEMLSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000344684339 144209153 /nfs/dbraw/zinc/20/91/53/144209153.db2.gz XMCGMSUFVHBALZ-FXAWDEMLSA-N 2 2 339.483 3.133 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866369 144233388 /nfs/dbraw/zinc/23/33/88/144233388.db2.gz OFSSDRXVPYRRHJ-NUEKZKHPSA-N 2 2 330.394 3.379 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866369 144233390 /nfs/dbraw/zinc/23/33/90/144233390.db2.gz OFSSDRXVPYRRHJ-NUEKZKHPSA-N 2 2 330.394 3.379 10 0 EGAELP CCC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000341292898 155229513 /nfs/dbraw/zinc/22/95/13/155229513.db2.gz YTFIDJIWXBRHKW-ROUUACIJSA-N 2 2 346.519 3.250 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000121363014 152346239 /nfs/dbraw/zinc/34/62/39/152346239.db2.gz RQFFHHZRUHGETD-HNNXBMFYSA-N 2 2 341.455 3.418 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCCOc3ccccc3)CC2)CCO1 ZINC000189751255 153094407 /nfs/dbraw/zinc/09/44/07/153094407.db2.gz YFHZYHYFHBPIJZ-LJQANCHMSA-N 2 2 346.515 3.421 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCCCOc3ccccc3)CC2)CCO1 ZINC000189751255 153094409 /nfs/dbraw/zinc/09/44/09/153094409.db2.gz YFHZYHYFHBPIJZ-LJQANCHMSA-N 2 2 346.515 3.421 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000190458077 153142944 /nfs/dbraw/zinc/14/29/44/153142944.db2.gz QHDIGEBQRYPCAW-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC000190458077 153142945 /nfs/dbraw/zinc/14/29/45/153142945.db2.gz QHDIGEBQRYPCAW-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000190458077 153142946 /nfs/dbraw/zinc/14/29/46/153142946.db2.gz QHDIGEBQRYPCAW-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000190458077 153142949 /nfs/dbraw/zinc/14/29/49/153142949.db2.gz QHDIGEBQRYPCAW-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000192078666 153240469 /nfs/dbraw/zinc/24/04/69/153240469.db2.gz OPMAESJVVZWFJR-HXUWFJFHSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000305771644 154117512 /nfs/dbraw/zinc/11/75/12/154117512.db2.gz RHKRXTKXMARGLB-RMVXJAJNSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000305771644 154117518 /nfs/dbraw/zinc/11/75/18/154117518.db2.gz RHKRXTKXMARGLB-RMVXJAJNSA-N 2 2 345.531 3.213 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)C2 ZINC000368685875 157264745 /nfs/dbraw/zinc/26/47/45/157264745.db2.gz BYIMIGFWWDFGMU-CYBMUJFWSA-N 2 2 340.452 3.092 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1csc(COc3ccccc3)n1)CC2 ZINC000368685875 157264747 /nfs/dbraw/zinc/26/47/47/157264747.db2.gz BYIMIGFWWDFGMU-CYBMUJFWSA-N 2 2 340.452 3.092 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1-c1ccccc1 ZINC000093691223 162024075 /nfs/dbraw/zinc/02/40/75/162024075.db2.gz KDAPXMXYTHYWLI-HXUWFJFHSA-N 2 2 334.423 3.229 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1-c1ccccc1 ZINC000093691223 162024080 /nfs/dbraw/zinc/02/40/80/162024080.db2.gz KDAPXMXYTHYWLI-HXUWFJFHSA-N 2 2 334.423 3.229 10 0 EGAELP c1csc(-c2noc(CCC[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000109793356 162112942 /nfs/dbraw/zinc/11/29/42/162112942.db2.gz GHKDVLYBJSTQQX-UHFFFAOYSA-N 2 2 343.456 3.264 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112076332 162162658 /nfs/dbraw/zinc/16/26/58/162162658.db2.gz QZDDELOYMQYNIT-HOCLYGCPSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112076332 162162662 /nfs/dbraw/zinc/16/26/62/162162662.db2.gz QZDDELOYMQYNIT-HOCLYGCPSA-N 2 2 325.460 3.379 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000248588728 163017416 /nfs/dbraw/zinc/01/74/16/163017416.db2.gz YRHQDLPQMUYPLR-KBXCAEBGSA-N 2 2 340.870 3.320 10 0 EGAELP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000248588728 163017419 /nfs/dbraw/zinc/01/74/19/163017419.db2.gz YRHQDLPQMUYPLR-KBXCAEBGSA-N 2 2 340.870 3.320 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949212 163046832 /nfs/dbraw/zinc/04/68/32/163046832.db2.gz AXPSSWLTARSOQC-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949212 163046834 /nfs/dbraw/zinc/04/68/34/163046834.db2.gz AXPSSWLTARSOQC-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949212 163046836 /nfs/dbraw/zinc/04/68/36/163046836.db2.gz AXPSSWLTARSOQC-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@H]21 ZINC000248949212 163046838 /nfs/dbraw/zinc/04/68/38/163046838.db2.gz AXPSSWLTARSOQC-KBXCAEBGSA-N 2 2 346.425 3.067 10 0 EGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000343655797 164004753 /nfs/dbraw/zinc/00/47/53/164004753.db2.gz IIARHBMKJMCEFS-UHFFFAOYSA-N 2 2 347.466 3.411 10 0 EGAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344144863 164114225 /nfs/dbraw/zinc/11/42/25/164114225.db2.gz TUAJANRGULVWPJ-ZCNNSNEGSA-N 2 2 349.563 3.364 10 0 EGAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344144863 164114227 /nfs/dbraw/zinc/11/42/27/164114227.db2.gz TUAJANRGULVWPJ-ZCNNSNEGSA-N 2 2 349.563 3.364 10 0 EGAELP COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344327914 164157959 /nfs/dbraw/zinc/15/79/59/164157959.db2.gz KCKOVEVYWPJXIY-CQSZACIVSA-N 2 2 331.441 3.264 10 0 EGAELP OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161189 164353967 /nfs/dbraw/zinc/35/39/67/164353967.db2.gz DWCITQYZMDXHJG-GOSISDBHSA-N 2 2 325.437 3.026 10 0 EGAELP OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161189 164353968 /nfs/dbraw/zinc/35/39/68/164353968.db2.gz DWCITQYZMDXHJG-GOSISDBHSA-N 2 2 325.437 3.026 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354954124 166072860 /nfs/dbraw/zinc/07/28/60/166072860.db2.gz SIMFJIMHKTWYSG-WMZOPIPTSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354954124 166072862 /nfs/dbraw/zinc/07/28/62/166072862.db2.gz SIMFJIMHKTWYSG-WMZOPIPTSA-N 2 2 340.471 3.026 10 0 EGAELP COc1ccc([C@@H](Nc2cc[nH+]c(C)c2Cl)c2[nH+]ccn2C)cc1 ZINC000350241495 165021749 /nfs/dbraw/zinc/02/17/49/165021749.db2.gz DLTQFRSBOVNTKI-QGZVFWFLSA-N 2 2 342.830 3.409 10 0 EGAELP C[N@H+](C[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090747 165230283 /nfs/dbraw/zinc/23/02/83/165230283.db2.gz BZPPQQSEYRBZDV-QFBILLFUSA-N 2 2 338.442 3.003 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090747 165230285 /nfs/dbraw/zinc/23/02/85/165230285.db2.gz BZPPQQSEYRBZDV-QFBILLFUSA-N 2 2 338.442 3.003 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCOC1 ZINC000355285739 166154363 /nfs/dbraw/zinc/15/43/63/166154363.db2.gz DZVRZJFVQXUJRM-VRLRAXNCSA-N 2 2 334.426 3.196 10 0 EGAELP Cc1ncsc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000355307328 166159598 /nfs/dbraw/zinc/15/95/98/166159598.db2.gz CSVLUWVJAMONQP-UHFFFAOYSA-N 2 2 333.423 3.346 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000368089817 168309370 /nfs/dbraw/zinc/30/93/70/168309370.db2.gz OAYLYIUPIPYSAH-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000368089817 168309373 /nfs/dbraw/zinc/30/93/73/168309373.db2.gz OAYLYIUPIPYSAH-SNVBAGLBSA-N 2 2 340.652 3.473 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195286557 266172493 /nfs/dbraw/zinc/17/24/93/266172493.db2.gz WGHDWBYFWCXOBR-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195286557 266172494 /nfs/dbraw/zinc/17/24/94/266172494.db2.gz WGHDWBYFWCXOBR-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000195286557 266172496 /nfs/dbraw/zinc/17/24/96/266172496.db2.gz WGHDWBYFWCXOBR-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000195286557 266172497 /nfs/dbraw/zinc/17/24/97/266172497.db2.gz WGHDWBYFWCXOBR-SFHVURJKSA-N 2 2 343.446 3.053 10 0 EGAELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc[nH]c3)[nH+]c12 ZINC000273471947 267044698 /nfs/dbraw/zinc/04/46/98/267044698.db2.gz JMHVOWOEWPDKEZ-UHFFFAOYSA-N 2 2 333.233 3.066 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866364 274076643 /nfs/dbraw/zinc/07/66/43/274076643.db2.gz OFSSDRXVPYRRHJ-CWRNSKLLSA-N 2 2 330.394 3.379 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866364 274076646 /nfs/dbraw/zinc/07/66/46/274076646.db2.gz OFSSDRXVPYRRHJ-CWRNSKLLSA-N 2 2 330.394 3.379 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739561 274342856 /nfs/dbraw/zinc/34/28/56/274342856.db2.gz BPNHIWAJDHIMLC-VMRPVKRXSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358739561 274342858 /nfs/dbraw/zinc/34/28/58/274342858.db2.gz BPNHIWAJDHIMLC-VMRPVKRXSA-N 2 2 336.483 3.322 10 0 EGAELP Cc1csc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CCC2)n1 ZINC000271927138 275242229 /nfs/dbraw/zinc/24/22/29/275242229.db2.gz CQOYWOYWOWTZHH-UHFFFAOYSA-N 2 2 342.512 3.480 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000278730013 275269677 /nfs/dbraw/zinc/26/96/77/275269677.db2.gz VSBNMUSKRPXHLV-HXUWFJFHSA-N 2 2 326.440 3.141 10 0 EGAELP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278836772 275279566 /nfs/dbraw/zinc/27/95/66/275279566.db2.gz PGQIVHQKJNIKBN-INIZCTEOSA-N 2 2 325.456 3.466 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094767 276213718 /nfs/dbraw/zinc/21/37/18/276213718.db2.gz PPCLXANQPDVCPV-QZTJIDSGSA-N 2 2 331.504 3.212 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094767 276213720 /nfs/dbraw/zinc/21/37/20/276213720.db2.gz PPCLXANQPDVCPV-QZTJIDSGSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094767 276213721 /nfs/dbraw/zinc/21/37/21/276213721.db2.gz PPCLXANQPDVCPV-QZTJIDSGSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094767 276213722 /nfs/dbraw/zinc/21/37/22/276213722.db2.gz PPCLXANQPDVCPV-QZTJIDSGSA-N 2 2 331.504 3.212 10 0 EGAELP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1nccn1C ZINC000373517112 280183739 /nfs/dbraw/zinc/18/37/39/280183739.db2.gz CBNGNNNIMINZND-YMAMQOFZSA-N 2 2 344.425 3.266 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000151259381 307730739 /nfs/dbraw/zinc/73/07/39/307730739.db2.gz TZIAPXOJBKRLDP-CHWSQXEVSA-N 2 2 331.287 3.491 10 0 EGAELP CCc1cc(NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302034439 308726301 /nfs/dbraw/zinc/72/63/01/308726301.db2.gz DTRQKWLTYMPXPV-MRXNPFEDSA-N 2 2 346.500 3.203 10 0 EGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1F ZINC000313250834 308764941 /nfs/dbraw/zinc/76/49/41/308764941.db2.gz DAIQPOVTFYCMGU-JTQLQIEISA-N 2 2 326.213 3.215 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCCCCC1 ZINC000414861210 309106149 /nfs/dbraw/zinc/10/61/49/309106149.db2.gz RKGUHHNJVHUBIM-UHFFFAOYSA-N 2 2 330.451 3.212 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415295160 309130251 /nfs/dbraw/zinc/13/02/51/309130251.db2.gz PUNDACKPZAASMK-ZIAGYGMSSA-N 2 2 329.448 3.207 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000415959164 309151273 /nfs/dbraw/zinc/15/12/73/309151273.db2.gz SGMQTXVQXFYLHX-UHFFFAOYSA-N 2 2 341.459 3.205 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1c[nH+]ccc1N ZINC000422714066 309364390 /nfs/dbraw/zinc/36/43/90/309364390.db2.gz QOOXOIQTTPJLAQ-AWEZNQCLSA-N 2 2 338.455 3.474 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422752889 309366575 /nfs/dbraw/zinc/36/65/75/309366575.db2.gz HSQXUZXJLJLPMS-AWEZNQCLSA-N 3 2 337.471 3.248 10 0 EGAELP c1csc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCCCC2)c1 ZINC000422762976 309366994 /nfs/dbraw/zinc/36/69/94/309366994.db2.gz IPUITSAFCJXCAX-AEFFLSMTSA-N 2 2 334.529 3.307 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2OC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422763947 309367161 /nfs/dbraw/zinc/36/71/61/309367161.db2.gz PAININVDUJUDNV-FPOVZHCZSA-N 2 2 340.467 3.329 10 0 EGAELP COc1cccc(-c2ccc(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)cc2)c1 ZINC000422794295 309368718 /nfs/dbraw/zinc/36/87/18/309368718.db2.gz UBXBJJKNXMWKTM-JXFKEZNVSA-N 2 2 340.467 3.219 10 0 EGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(Cl)cccc1Cl ZINC000422879584 309373738 /nfs/dbraw/zinc/37/37/38/309373738.db2.gz MPVOHYZPNIPUHB-XQAQDONZSA-N 2 2 343.298 3.454 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939895 309377093 /nfs/dbraw/zinc/37/70/93/309377093.db2.gz GHAALIZGQPCQIA-SKDRFNHKSA-N 2 2 349.219 3.138 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947731 309377543 /nfs/dbraw/zinc/37/75/43/309377543.db2.gz YSICLUARIBUPRN-PXNSSMCTSA-N 2 2 340.467 3.122 10 0 EGAELP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000422992209 309379891 /nfs/dbraw/zinc/37/98/91/309379891.db2.gz CFWDQJBOXGXPSF-QGZVKYPTSA-N 2 2 332.488 3.042 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000422998599 309380194 /nfs/dbraw/zinc/38/01/94/309380194.db2.gz QWSNOTKIXROILP-UXHICEINSA-N 2 2 325.456 3.106 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423063525 309383867 /nfs/dbraw/zinc/38/38/67/309383867.db2.gz OXWPVRXRYUISLF-KGLIPLIRSA-N 2 2 327.266 3.207 10 0 EGAELP Fc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423229156 309391318 /nfs/dbraw/zinc/39/13/18/309391318.db2.gz GNCKSYMFSWDQPS-LJQANCHMSA-N 2 2 326.419 3.194 10 0 EGAELP CSc1ccccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231524 309391560 /nfs/dbraw/zinc/39/15/60/309391560.db2.gz LLSSEQYILPJSRS-CQSZACIVSA-N 2 2 328.485 3.386 10 0 EGAELP CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000423231033 309391695 /nfs/dbraw/zinc/39/16/95/309391695.db2.gz KKRMZCOXFRLCAT-IBGZPJMESA-N 2 2 340.471 3.453 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1Cl ZINC000423234541 309391842 /nfs/dbraw/zinc/39/18/42/309391842.db2.gz PYLJDSNXCXQTDH-GFCCVEGCSA-N 2 2 334.826 3.457 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423352633 309396600 /nfs/dbraw/zinc/39/66/00/309396600.db2.gz ACBBYINZBBXLGV-MPGHIAIKSA-N 2 2 332.492 3.209 10 0 EGAELP c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449015594 310029390 /nfs/dbraw/zinc/02/93/90/310029390.db2.gz FJALSBVHDLZGNY-MRXNPFEDSA-N 2 2 325.460 3.327 10 0 EGAELP c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449015594 310029391 /nfs/dbraw/zinc/02/93/91/310029391.db2.gz FJALSBVHDLZGNY-MRXNPFEDSA-N 2 2 325.460 3.327 10 0 EGAELP CC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064967 310034057 /nfs/dbraw/zinc/03/40/57/310034057.db2.gz RHAXFFLUESLINL-SFHVURJKSA-N 3 2 329.532 3.156 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000449076751 310035099 /nfs/dbraw/zinc/03/50/99/310035099.db2.gz XVYBVVYTKWWRMA-GOSISDBHSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168269 310041834 /nfs/dbraw/zinc/04/18/34/310041834.db2.gz CZGZYQHDBAEPAH-LQWHRVPQSA-N 3 2 329.532 3.154 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000449168269 310041835 /nfs/dbraw/zinc/04/18/35/310041835.db2.gz CZGZYQHDBAEPAH-LQWHRVPQSA-N 3 2 329.532 3.154 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168270 310041881 /nfs/dbraw/zinc/04/18/81/310041881.db2.gz CZGZYQHDBAEPAH-LVCYWYKZSA-N 3 2 329.532 3.154 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000449168270 310041882 /nfs/dbraw/zinc/04/18/82/310041882.db2.gz CZGZYQHDBAEPAH-LVCYWYKZSA-N 3 2 329.532 3.154 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000449187620 310043266 /nfs/dbraw/zinc/04/32/66/310043266.db2.gz KZZYUYNELNQHSX-UZLBHIALSA-N 2 2 338.499 3.472 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000449187620 310043267 /nfs/dbraw/zinc/04/32/67/310043267.db2.gz KZZYUYNELNQHSX-UZLBHIALSA-N 2 2 338.499 3.472 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000449256005 310047962 /nfs/dbraw/zinc/04/79/62/310047962.db2.gz BLIGJMNDFNKVJD-UHFFFAOYSA-N 2 2 335.492 3.147 10 0 EGAELP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394327 310058518 /nfs/dbraw/zinc/05/85/18/310058518.db2.gz NQONTXDYESYMJQ-WMLDXEAASA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394327 310058519 /nfs/dbraw/zinc/05/85/19/310058519.db2.gz NQONTXDYESYMJQ-WMLDXEAASA-N 2 2 344.421 3.073 10 0 EGAELP COc1ccc(C2CCC([NH2+][C@H]3CCC[N@H+](CCCO)C3)CC2)cc1 ZINC000449396524 310058542 /nfs/dbraw/zinc/05/85/42/310058542.db2.gz LUKMSJBIOZCBGO-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+][C@H]3CCC[N@@H+](CCCO)C3)CC2)cc1 ZINC000449396524 310058543 /nfs/dbraw/zinc/05/85/43/310058543.db2.gz LUKMSJBIOZCBGO-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398217 310058782 /nfs/dbraw/zinc/05/87/82/310058782.db2.gz TWUWDCXQGZCRFL-CBBWQLFWSA-N 2 2 342.936 3.330 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398217 310058783 /nfs/dbraw/zinc/05/87/83/310058783.db2.gz TWUWDCXQGZCRFL-CBBWQLFWSA-N 2 2 342.936 3.330 10 0 EGAELP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449415786 310060136 /nfs/dbraw/zinc/06/01/36/310060136.db2.gz PUISFZOIKOTGCP-CVEARBPZSA-N 2 2 333.457 3.145 10 0 EGAELP Cc1ccc(CCC[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c[nH+]1 ZINC000449760373 310085314 /nfs/dbraw/zinc/08/53/14/310085314.db2.gz OBSUEKXWHAXBGA-UHFFFAOYSA-N 2 2 329.410 3.281 10 0 EGAELP Cc1ccc(CCC[N@H+](C)C2CCN(CC(F)(F)F)CC2)c[nH+]1 ZINC000449760373 310085315 /nfs/dbraw/zinc/08/53/15/310085315.db2.gz OBSUEKXWHAXBGA-UHFFFAOYSA-N 2 2 329.410 3.281 10 0 EGAELP CC[C@H](CC(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449963565 310096262 /nfs/dbraw/zinc/09/62/62/310096262.db2.gz ARKMWVRPEZWOJG-GOSISDBHSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(N[C@H]3CCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000453181566 310262849 /nfs/dbraw/zinc/26/28/49/310262849.db2.gz ZEAOWBQITXCIQI-DAYGRLMNSA-N 2 2 326.444 3.049 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(N[C@H]3CCn4cc[nH+]c43)c2)C[C@H](C)O1 ZINC000453181566 310262850 /nfs/dbraw/zinc/26/28/50/310262850.db2.gz ZEAOWBQITXCIQI-DAYGRLMNSA-N 2 2 326.444 3.049 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1sc(C)cc1Br ZINC000453587313 310282919 /nfs/dbraw/zinc/28/29/19/310282919.db2.gz KLTGWZCRSIXFPZ-LBPRGKRZSA-N 2 2 347.322 3.019 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1sc(C)cc1Br ZINC000453587313 310282920 /nfs/dbraw/zinc/28/29/20/310282920.db2.gz KLTGWZCRSIXFPZ-LBPRGKRZSA-N 2 2 347.322 3.019 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660902 310567063 /nfs/dbraw/zinc/56/70/63/310567063.db2.gz LXICSQSRBAYPJV-OAHLLOKOSA-N 2 2 328.460 3.093 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000474028820 310783806 /nfs/dbraw/zinc/78/38/06/310783806.db2.gz GJOPLSHNCQNUAN-NJDAHSKKSA-N 2 2 342.527 3.271 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000514762331 312243775 /nfs/dbraw/zinc/24/37/75/312243775.db2.gz XXTIQPKIDBSCFG-CHWSQXEVSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000514762331 312243777 /nfs/dbraw/zinc/24/37/77/312243777.db2.gz XXTIQPKIDBSCFG-CHWSQXEVSA-N 2 2 346.862 3.236 10 0 EGAELP C[C@@H](CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794363 312246258 /nfs/dbraw/zinc/24/62/58/312246258.db2.gz ZSZOYPIGMSJOIT-PXNSSMCTSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000514794363 312246260 /nfs/dbraw/zinc/24/62/60/312246260.db2.gz ZSZOYPIGMSJOIT-PXNSSMCTSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490871 312285723 /nfs/dbraw/zinc/28/57/23/312285723.db2.gz UEKLRTGZMJYCLN-QBIMZIAESA-N 2 2 346.862 3.049 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490871 312285724 /nfs/dbraw/zinc/28/57/24/312285724.db2.gz UEKLRTGZMJYCLN-QBIMZIAESA-N 2 2 346.862 3.049 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000529661708 313380294 /nfs/dbraw/zinc/38/02/94/313380294.db2.gz BLMCEPUSWUNQLS-UHFFFAOYSA-N 2 2 344.499 3.162 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000535316734 314039647 /nfs/dbraw/zinc/03/96/47/314039647.db2.gz SYCVJFFVVSNZMB-CQSZACIVSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000535316734 314039649 /nfs/dbraw/zinc/03/96/49/314039649.db2.gz SYCVJFFVVSNZMB-CQSZACIVSA-N 2 2 326.375 3.204 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000536607278 314129538 /nfs/dbraw/zinc/12/95/38/314129538.db2.gz CDZHSXGEGBLIDR-RDTXWAMCSA-N 2 2 344.434 3.242 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000536607278 314129543 /nfs/dbraw/zinc/12/95/43/314129543.db2.gz CDZHSXGEGBLIDR-RDTXWAMCSA-N 2 2 344.434 3.242 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@@H]3c3ccccc3)c2cc1C ZINC000552836873 315234293 /nfs/dbraw/zinc/23/42/93/315234293.db2.gz YSIJELGVODLDEG-QRVBRYPASA-N 2 2 335.451 3.160 10 0 EGAELP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[NH+]1CCOCC1 ZINC000554714457 315344545 /nfs/dbraw/zinc/34/45/45/315344545.db2.gz XUDMSBFFASZMSM-QINSGFPZSA-N 2 2 342.405 3.421 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000560256274 315670246 /nfs/dbraw/zinc/67/02/46/315670246.db2.gz DEQGHVQRUVAGNI-XCJLJZCSSA-N 2 2 346.515 3.483 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000563425076 316019547 /nfs/dbraw/zinc/01/95/47/316019547.db2.gz VMLLJJXEJVLBSF-QGZVFWFLSA-N 2 2 329.419 3.065 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645375 323244696 /nfs/dbraw/zinc/24/46/96/323244696.db2.gz FDKWENVCGQZDPL-QGZVFWFLSA-N 2 2 341.455 3.293 10 0 EGAELP COc1ccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645375 323244702 /nfs/dbraw/zinc/24/47/02/323244702.db2.gz FDKWENVCGQZDPL-QGZVFWFLSA-N 2 2 341.455 3.293 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179629369 323397472 /nfs/dbraw/zinc/39/74/72/323397472.db2.gz HLXLXOBCXFFGFE-UHFFFAOYSA-N 2 2 349.862 3.262 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179629369 323397477 /nfs/dbraw/zinc/39/74/77/323397477.db2.gz HLXLXOBCXFFGFE-UHFFFAOYSA-N 2 2 349.862 3.262 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCC1 ZINC000387491848 324271959 /nfs/dbraw/zinc/27/19/59/324271959.db2.gz WMGTVBIGCQIZHX-OTWHNJEPSA-N 2 2 328.500 3.444 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCC1 ZINC000387491848 324271962 /nfs/dbraw/zinc/27/19/62/324271962.db2.gz WMGTVBIGCQIZHX-OTWHNJEPSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000580183107 325214141 /nfs/dbraw/zinc/21/41/41/325214141.db2.gz TWEJUAJYAIVKLN-UZLBHIALSA-N 2 2 331.504 3.138 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000580250151 325223179 /nfs/dbraw/zinc/22/31/79/325223179.db2.gz YTHNQLABGOQCDA-BXUZGUMPSA-N 2 2 336.361 3.348 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000580250151 325223180 /nfs/dbraw/zinc/22/31/80/325223180.db2.gz YTHNQLABGOQCDA-BXUZGUMPSA-N 2 2 336.361 3.348 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000580250153 325223239 /nfs/dbraw/zinc/22/32/39/325223239.db2.gz YTHNQLABGOQCDA-RISCZKNCSA-N 2 2 336.361 3.348 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000580250153 325223243 /nfs/dbraw/zinc/22/32/43/325223243.db2.gz YTHNQLABGOQCDA-RISCZKNCSA-N 2 2 336.361 3.348 10 0 EGAELP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057750 455219167 /nfs/dbraw/zinc/21/91/67/455219167.db2.gz VHJRZEFRJFPAIG-RTBURBONSA-N 2 2 332.536 3.496 10 0 EGAELP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057750 455219171 /nfs/dbraw/zinc/21/91/71/455219171.db2.gz VHJRZEFRJFPAIG-RTBURBONSA-N 2 2 332.536 3.496 10 0 EGAELP Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672071 455223610 /nfs/dbraw/zinc/22/36/10/455223610.db2.gz DPHOTBZYASFNBN-QGZVFWFLSA-N 2 2 348.450 3.148 10 0 EGAELP COc1cc(Cl)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000370728772 457708606 /nfs/dbraw/zinc/70/86/06/457708606.db2.gz DCGNYVMPKNGTPU-JTQLQIEISA-N 2 2 326.227 3.372 10 0 EGAELP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000556166376 458933851 /nfs/dbraw/zinc/93/38/51/458933851.db2.gz RKBZCNRNYQWMBX-UHFFFAOYSA-N 2 2 325.428 3.472 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(I)cc1 ZINC000600706052 460573986 /nfs/dbraw/zinc/57/39/86/460573986.db2.gz CHFZTXRDHODDKM-DDTOSNHZSA-N 2 2 344.240 3.082 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1OCC(F)(F)F ZINC000623496730 460581173 /nfs/dbraw/zinc/58/11/73/460581173.db2.gz IOYQQLFEHHYULR-GFCCVEGCSA-N 2 2 343.324 3.068 10 0 EGAELP [NH3+]C[C@@H]1Cc2ccccc2N(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000631893505 460590974 /nfs/dbraw/zinc/59/09/74/460590974.db2.gz SSFMBZIZUNEKNR-SFHVURJKSA-N 2 2 332.451 3.069 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C[NH2+]1 ZINC000629541818 460800503 /nfs/dbraw/zinc/80/05/03/460800503.db2.gz WRZSNJRHRGLNIU-TYNCELHUSA-N 2 2 339.277 3.393 10 0 EGAELP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)ncc1Br ZINC000623559154 460611836 /nfs/dbraw/zinc/61/18/36/460611836.db2.gz UJHRPEDQKNHPCF-UHFFFAOYSA-N 2 2 328.298 3.220 10 0 EGAELP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)ncc1Br ZINC000623559154 460611839 /nfs/dbraw/zinc/61/18/39/460611839.db2.gz UJHRPEDQKNHPCF-UHFFFAOYSA-N 2 2 328.298 3.220 10 0 EGAELP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000095402077 454203915 /nfs/dbraw/zinc/20/39/15/454203915.db2.gz QFUSOMSPGIHUKC-AWEZNQCLSA-N 2 2 333.505 3.161 10 0 EGAELP c1cn(-c2ccc(NC3CC[NH+](Cc4cccnc4)CC3)cc2)c[nH+]1 ZINC000095990584 454254124 /nfs/dbraw/zinc/25/41/24/454254124.db2.gz LJVODIOWGUPABP-UHFFFAOYSA-N 2 2 333.439 3.344 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c(C)nc2s1 ZINC000097139256 454414232 /nfs/dbraw/zinc/41/42/32/454414232.db2.gz GBPFHUUEKBNPEM-HNNXBMFYSA-N 2 2 343.500 3.201 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c(C)nc2s1 ZINC000097139256 454414233 /nfs/dbraw/zinc/41/42/33/454414233.db2.gz GBPFHUUEKBNPEM-HNNXBMFYSA-N 2 2 343.500 3.201 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000623602660 460635746 /nfs/dbraw/zinc/63/57/46/460635746.db2.gz ZNWALCWFURPJTC-KRWDZBQOSA-N 2 2 342.405 3.134 10 0 EGAELP CCc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000104079868 454574530 /nfs/dbraw/zinc/57/45/30/454574530.db2.gz YBEBGRBREFRKJU-UHFFFAOYSA-N 2 2 340.467 3.416 10 0 EGAELP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123537208 454648264 /nfs/dbraw/zinc/64/82/64/454648264.db2.gz XFNJFUKXUBUXFE-HUUCEWRRSA-N 2 2 331.464 3.161 10 0 EGAELP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123537208 454648271 /nfs/dbraw/zinc/64/82/71/454648271.db2.gz XFNJFUKXUBUXFE-HUUCEWRRSA-N 2 2 331.464 3.161 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000136095689 454720696 /nfs/dbraw/zinc/72/06/96/454720696.db2.gz HFLMHBFJWBTDRK-BBRMVZONSA-N 2 2 329.835 3.267 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000136095689 454720701 /nfs/dbraw/zinc/72/07/01/454720701.db2.gz HFLMHBFJWBTDRK-BBRMVZONSA-N 2 2 329.835 3.267 10 0 EGAELP C[NH+]1CCC(CNC(=O)C(C)(C)C2CCCC2)([NH+]2CCCCC2)CC1 ZINC000124504194 454741449 /nfs/dbraw/zinc/74/14/49/454741449.db2.gz MCWINUCSCKCLEM-UHFFFAOYSA-N 2 2 349.563 3.269 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000163272892 454835282 /nfs/dbraw/zinc/83/52/82/454835282.db2.gz UDTBMRJBOLQPBG-DZGCQCFKSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000163272892 454835286 /nfs/dbraw/zinc/83/52/86/454835286.db2.gz UDTBMRJBOLQPBG-DZGCQCFKSA-N 2 2 347.894 3.222 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000163308345 454838755 /nfs/dbraw/zinc/83/87/55/454838755.db2.gz FDTHCFYWXZYUDT-KBPBESRZSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000163308345 454838758 /nfs/dbraw/zinc/83/87/58/454838758.db2.gz FDTHCFYWXZYUDT-KBPBESRZSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000163424785 454846840 /nfs/dbraw/zinc/84/68/40/454846840.db2.gz QMXPQPQMDDGDHJ-HIFRSBDPSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000163424785 454846842 /nfs/dbraw/zinc/84/68/42/454846842.db2.gz QMXPQPQMDDGDHJ-HIFRSBDPSA-N 2 2 328.403 3.049 10 0 EGAELP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151278952 454963341 /nfs/dbraw/zinc/96/33/41/454963341.db2.gz XLPNUTAXGUSQNO-ZBFHGGJFSA-N 2 2 340.895 3.236 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000151298808 454965411 /nfs/dbraw/zinc/96/54/11/454965411.db2.gz HPBRWOQZRXKQKH-KBPBESRZSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151311443 454967608 /nfs/dbraw/zinc/96/76/08/454967608.db2.gz RSVMDNNDESRAOJ-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151316542 454967956 /nfs/dbraw/zinc/96/79/56/454967956.db2.gz YBVFSEDYAWBAHC-ZFWWWQNUSA-N 2 2 339.549 3.246 10 0 EGAELP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179704660 455068629 /nfs/dbraw/zinc/06/86/29/455068629.db2.gz QBTMWTOVMNHBBR-MRXNPFEDSA-N 2 2 337.423 3.146 10 0 EGAELP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179704660 455068631 /nfs/dbraw/zinc/06/86/31/455068631.db2.gz QBTMWTOVMNHBBR-MRXNPFEDSA-N 2 2 337.423 3.146 10 0 EGAELP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000179854802 455088896 /nfs/dbraw/zinc/08/88/96/455088896.db2.gz QLFPHJXSFJRPSL-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000179854802 455088899 /nfs/dbraw/zinc/08/88/99/455088899.db2.gz QLFPHJXSFJRPSL-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000152241847 455091518 /nfs/dbraw/zinc/09/15/18/455091518.db2.gz NQMMVERWSXLGPZ-OTBWCIGPSA-N 2 2 339.524 3.141 10 0 EGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000152241847 455091524 /nfs/dbraw/zinc/09/15/24/455091524.db2.gz NQMMVERWSXLGPZ-OTBWCIGPSA-N 2 2 339.524 3.141 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCCCC1 ZINC000118834305 455113935 /nfs/dbraw/zinc/11/39/35/455113935.db2.gz KFJJKDZRFFDLPW-SFHVURJKSA-N 2 2 335.536 3.023 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCCCC1 ZINC000118834305 455113940 /nfs/dbraw/zinc/11/39/40/455113940.db2.gz KFJJKDZRFFDLPW-SFHVURJKSA-N 2 2 335.536 3.023 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180139147 455138663 /nfs/dbraw/zinc/13/86/63/455138663.db2.gz SCJZRPRWJCJLTQ-MRXNPFEDSA-N 2 2 329.492 3.314 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237486604 455189119 /nfs/dbraw/zinc/18/91/19/455189119.db2.gz MTITWACGSOFAEA-HNNXBMFYSA-N 2 2 349.906 3.207 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181105660 455288086 /nfs/dbraw/zinc/28/80/86/455288086.db2.gz XQMQWUZYIVRPSI-SFHVURJKSA-N 2 2 342.487 3.031 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181105660 455288092 /nfs/dbraw/zinc/28/80/92/455288092.db2.gz XQMQWUZYIVRPSI-SFHVURJKSA-N 2 2 342.487 3.031 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421042 455294174 /nfs/dbraw/zinc/29/41/74/455294174.db2.gz HUBRWWLGMPPVDI-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421042 455294176 /nfs/dbraw/zinc/29/41/76/455294176.db2.gz HUBRWWLGMPPVDI-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421042 455294178 /nfs/dbraw/zinc/29/41/78/455294178.db2.gz HUBRWWLGMPPVDI-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421042 455294180 /nfs/dbraw/zinc/29/41/80/455294180.db2.gz HUBRWWLGMPPVDI-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443650 455302322 /nfs/dbraw/zinc/30/23/22/455302322.db2.gz XJIGHMYUESPVSR-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443650 455302323 /nfs/dbraw/zinc/30/23/23/455302323.db2.gz XJIGHMYUESPVSR-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443650 455302324 /nfs/dbraw/zinc/30/23/24/455302324.db2.gz XJIGHMYUESPVSR-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000245443650 455302325 /nfs/dbraw/zinc/30/23/25/455302325.db2.gz XJIGHMYUESPVSR-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1 ZINC000183673816 455319820 /nfs/dbraw/zinc/31/98/20/455319820.db2.gz YPTSCDVNGOANCI-OAHLLOKOSA-N 2 2 338.459 3.279 10 0 EGAELP CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183690135 455321724 /nfs/dbraw/zinc/32/17/24/455321724.db2.gz GKEAPVZAMKGNEU-CQSZACIVSA-N 2 2 338.459 3.341 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245726974 455365610 /nfs/dbraw/zinc/36/56/10/455365610.db2.gz DVPIHYIFHUKIFZ-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245726974 455365613 /nfs/dbraw/zinc/36/56/13/455365613.db2.gz DVPIHYIFHUKIFZ-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000174284320 455376720 /nfs/dbraw/zinc/37/67/20/455376720.db2.gz NLHGIGOWKTYILM-TZMCWYRMSA-N 2 2 347.413 3.116 10 0 EGAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000181939313 455401633 /nfs/dbraw/zinc/40/16/33/455401633.db2.gz BKXSISPUMCKJIE-CQSZACIVSA-N 2 2 335.411 3.077 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000246238408 455455649 /nfs/dbraw/zinc/45/56/49/455455649.db2.gz NQMMVERWSXLGPZ-RDHHWEPZSA-N 2 2 339.524 3.141 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000246238408 455455653 /nfs/dbraw/zinc/45/56/53/455455653.db2.gz NQMMVERWSXLGPZ-RDHHWEPZSA-N 2 2 339.524 3.141 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C ZINC000176106452 455540407 /nfs/dbraw/zinc/54/04/07/455540407.db2.gz KJBZSOMRTDSSLP-WMLDXEAASA-N 2 2 341.459 3.034 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C ZINC000176106452 455540409 /nfs/dbraw/zinc/54/04/09/455540409.db2.gz KJBZSOMRTDSSLP-WMLDXEAASA-N 2 2 341.459 3.034 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000192055540 455549800 /nfs/dbraw/zinc/54/98/00/455549800.db2.gz DDTIDNFCNHQUEP-HNNXBMFYSA-N 2 2 329.444 3.343 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000192055540 455549806 /nfs/dbraw/zinc/54/98/06/455549806.db2.gz DDTIDNFCNHQUEP-HNNXBMFYSA-N 2 2 329.444 3.343 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000283823791 455600078 /nfs/dbraw/zinc/60/00/78/455600078.db2.gz FVBNJCJINIIPAH-INIZCTEOSA-N 2 2 332.879 3.016 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000283823791 455600082 /nfs/dbraw/zinc/60/00/82/455600082.db2.gz FVBNJCJINIIPAH-INIZCTEOSA-N 2 2 332.879 3.016 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953534 455658955 /nfs/dbraw/zinc/65/89/55/455658955.db2.gz FHXUGFFDCWSECP-GOEBONIOSA-N 2 2 346.862 3.306 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953534 455658959 /nfs/dbraw/zinc/65/89/59/455658959.db2.gz FHXUGFFDCWSECP-GOEBONIOSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953534 455658967 /nfs/dbraw/zinc/65/89/67/455658967.db2.gz FHXUGFFDCWSECP-GOEBONIOSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953534 455658974 /nfs/dbraw/zinc/65/89/74/455658974.db2.gz FHXUGFFDCWSECP-GOEBONIOSA-N 2 2 346.862 3.306 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248180321 455694763 /nfs/dbraw/zinc/69/47/63/455694763.db2.gz WIRLAGKRYFOECH-DSLXNQLJSA-N 2 2 331.504 3.085 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248180321 455694767 /nfs/dbraw/zinc/69/47/67/455694767.db2.gz WIRLAGKRYFOECH-DSLXNQLJSA-N 2 2 331.504 3.085 10 0 EGAELP C[NH+](C)[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(Cl)c1 ZINC000606533232 460692941 /nfs/dbraw/zinc/69/29/41/460692941.db2.gz NJZYMOSEPDWXMX-INIZCTEOSA-N 2 2 328.803 3.229 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000271857905 455788960 /nfs/dbraw/zinc/78/89/60/455788960.db2.gz XVUJPVKNBYGIMJ-CQSZACIVSA-N 2 2 338.879 3.408 10 0 EGAELP CCCc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000186942799 455853316 /nfs/dbraw/zinc/85/33/16/455853316.db2.gz KQZCTLZFSGURCG-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP CCCc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000186942799 455853318 /nfs/dbraw/zinc/85/33/18/455853318.db2.gz KQZCTLZFSGURCG-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)sc1C ZINC000195280003 455941124 /nfs/dbraw/zinc/94/11/24/455941124.db2.gz GWVMYCDYCLYPBO-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)sc1C ZINC000195280003 455941126 /nfs/dbraw/zinc/94/11/26/455941126.db2.gz GWVMYCDYCLYPBO-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)sc1C ZINC000195280003 455941127 /nfs/dbraw/zinc/94/11/27/455941127.db2.gz GWVMYCDYCLYPBO-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)sc1C ZINC000195280003 455941128 /nfs/dbraw/zinc/94/11/28/455941128.db2.gz GWVMYCDYCLYPBO-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000261811656 455952325 /nfs/dbraw/zinc/95/23/25/455952325.db2.gz SQHYKZALXZOJTG-UHFFFAOYSA-N 2 2 339.414 3.484 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000261811656 455952326 /nfs/dbraw/zinc/95/23/26/455952326.db2.gz SQHYKZALXZOJTG-UHFFFAOYSA-N 2 2 339.414 3.484 10 0 EGAELP Cc1ccc2c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000195515647 455973997 /nfs/dbraw/zinc/97/39/97/455973997.db2.gz JSIZZQYKQOOVHF-INIZCTEOSA-N 2 2 349.434 3.430 10 0 EGAELP Cc1ccc2c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000195515647 455974003 /nfs/dbraw/zinc/97/40/03/455974003.db2.gz JSIZZQYKQOOVHF-INIZCTEOSA-N 2 2 349.434 3.430 10 0 EGAELP Cc1ccc2c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000195515646 455974637 /nfs/dbraw/zinc/97/46/37/455974637.db2.gz JSIZZQYKQOOVHF-MRXNPFEDSA-N 2 2 349.434 3.430 10 0 EGAELP Cc1ccc2c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000195515646 455974644 /nfs/dbraw/zinc/97/46/44/455974644.db2.gz JSIZZQYKQOOVHF-MRXNPFEDSA-N 2 2 349.434 3.430 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000270695841 456017202 /nfs/dbraw/zinc/01/72/02/456017202.db2.gz HCYFMFDANSXNHH-GJZGRUSLSA-N 2 2 329.354 3.093 10 0 EGAELP C[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000270695841 456017203 /nfs/dbraw/zinc/01/72/03/456017203.db2.gz HCYFMFDANSXNHH-GJZGRUSLSA-N 2 2 329.354 3.093 10 0 EGAELP CCc1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000188958442 456181388 /nfs/dbraw/zinc/18/13/88/456181388.db2.gz UWSVYMLMQIVLNC-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CCc1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000188958442 456181397 /nfs/dbraw/zinc/18/13/97/456181397.db2.gz UWSVYMLMQIVLNC-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956907 456372107 /nfs/dbraw/zinc/37/21/07/456372107.db2.gz FWBNCTVDBIBQND-UONOGXRCSA-N 2 2 329.448 3.105 10 0 EGAELP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956907 456372113 /nfs/dbraw/zinc/37/21/13/456372113.db2.gz FWBNCTVDBIBQND-UONOGXRCSA-N 2 2 329.448 3.105 10 0 EGAELP Cn1c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc21 ZINC000282043130 456398564 /nfs/dbraw/zinc/39/85/64/456398564.db2.gz LOOTZYVWSAUOBP-INIZCTEOSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc21 ZINC000282043130 456398566 /nfs/dbraw/zinc/39/85/66/456398566.db2.gz LOOTZYVWSAUOBP-INIZCTEOSA-N 2 2 349.482 3.486 10 0 EGAELP CCc1[nH+]c2cc(C[NH2+][C@H](CC)Cn3cncn3)ccc2n1C1CC1 ZINC000340535066 456516952 /nfs/dbraw/zinc/51/69/52/456516952.db2.gz DBVVOLPBIKOLBL-OAHLLOKOSA-N 2 2 338.459 3.094 10 0 EGAELP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000343302520 456518396 /nfs/dbraw/zinc/51/83/96/456518396.db2.gz MSOMQOKBCWLWLY-UHFFFAOYSA-N 2 2 334.435 3.452 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000343302520 456518401 /nfs/dbraw/zinc/51/84/01/456518401.db2.gz MSOMQOKBCWLWLY-UHFFFAOYSA-N 2 2 334.435 3.452 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)nc1 ZINC000353288208 456613011 /nfs/dbraw/zinc/61/30/11/456613011.db2.gz GSSDEWSXZPXAOS-JRGCBEDISA-N 2 2 343.515 3.231 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107536 456644201 /nfs/dbraw/zinc/64/42/01/456644201.db2.gz NSVQTMVDCMDWPR-ZBFHGGJFSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107536 456644206 /nfs/dbraw/zinc/64/42/06/456644206.db2.gz NSVQTMVDCMDWPR-ZBFHGGJFSA-N 2 2 335.879 3.051 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471302 456644157 /nfs/dbraw/zinc/64/41/57/456644157.db2.gz IEPLYTHRQORUCS-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471302 456644163 /nfs/dbraw/zinc/64/41/63/456644163.db2.gz IEPLYTHRQORUCS-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP Fc1ccc(/C=C/C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328621467 456722740 /nfs/dbraw/zinc/72/27/40/456722740.db2.gz ANACYJUMLVUTBS-GVTIMSHASA-N 2 2 325.431 3.346 10 0 EGAELP Fc1ccc(/C=C/C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328621467 456722743 /nfs/dbraw/zinc/72/27/43/456722743.db2.gz ANACYJUMLVUTBS-GVTIMSHASA-N 2 2 325.431 3.346 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000343585930 456725568 /nfs/dbraw/zinc/72/55/68/456725568.db2.gz XGIKGPUYDGDFOB-UHFFFAOYSA-N 3 2 326.488 3.426 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353633120 456816863 /nfs/dbraw/zinc/81/68/63/456816863.db2.gz WJSPZKICRWOSHP-TZMCWYRMSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353633120 456816868 /nfs/dbraw/zinc/81/68/68/456816868.db2.gz WJSPZKICRWOSHP-TZMCWYRMSA-N 2 2 332.245 3.307 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162865 456872637 /nfs/dbraw/zinc/87/26/37/456872637.db2.gz OTBOECCCGUPZNX-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162865 456872640 /nfs/dbraw/zinc/87/26/40/456872640.db2.gz OTBOECCCGUPZNX-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162865 456872644 /nfs/dbraw/zinc/87/26/44/456872644.db2.gz OTBOECCCGUPZNX-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292162865 456872648 /nfs/dbraw/zinc/87/26/48/456872648.db2.gz OTBOECCCGUPZNX-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP COc1cc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000348833962 456876628 /nfs/dbraw/zinc/87/66/28/456876628.db2.gz OPYRVUHCZNAMAX-UHFFFAOYSA-N 2 2 331.460 3.254 10 0 EGAELP COc1cc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000348833962 456876631 /nfs/dbraw/zinc/87/66/31/456876631.db2.gz OPYRVUHCZNAMAX-UHFFFAOYSA-N 2 2 331.460 3.254 10 0 EGAELP COc1cc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c(C)n1 ZINC000348833962 456876635 /nfs/dbraw/zinc/87/66/35/456876635.db2.gz OPYRVUHCZNAMAX-UHFFFAOYSA-N 2 2 331.460 3.254 10 0 EGAELP COc1cc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000348833962 456876639 /nfs/dbraw/zinc/87/66/39/456876639.db2.gz OPYRVUHCZNAMAX-UHFFFAOYSA-N 2 2 331.460 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@H+](Cc2ccccc2)C1 ZINC000338957325 456877042 /nfs/dbraw/zinc/87/70/42/456877042.db2.gz YYCGRIJLPRVIRY-KPFFTGBYSA-N 2 2 338.499 3.298 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@@H+](Cc2ccccc2)C1 ZINC000338957325 456877045 /nfs/dbraw/zinc/87/70/45/456877045.db2.gz YYCGRIJLPRVIRY-KPFFTGBYSA-N 2 2 338.499 3.298 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179488 456878105 /nfs/dbraw/zinc/87/81/05/456878105.db2.gz QIJXITDUKBAPFH-QFIPXVFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179488 456878111 /nfs/dbraw/zinc/87/81/11/456878111.db2.gz QIJXITDUKBAPFH-QFIPXVFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179488 456878115 /nfs/dbraw/zinc/87/81/15/456878115.db2.gz QIJXITDUKBAPFH-QFIPXVFZSA-N 2 2 349.478 3.320 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000292179488 456878118 /nfs/dbraw/zinc/87/81/18/456878118.db2.gz QIJXITDUKBAPFH-QFIPXVFZSA-N 2 2 349.478 3.320 10 0 EGAELP Cc1nn2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745653 456885631 /nfs/dbraw/zinc/88/56/31/456885631.db2.gz KJCSWJXIKPKKLY-OCCSQVGLSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745653 456885632 /nfs/dbraw/zinc/88/56/32/456885632.db2.gz KJCSWJXIKPKKLY-OCCSQVGLSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745653 456885635 /nfs/dbraw/zinc/88/56/35/456885635.db2.gz KJCSWJXIKPKKLY-OCCSQVGLSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745653 456885636 /nfs/dbraw/zinc/88/56/36/456885636.db2.gz KJCSWJXIKPKKLY-OCCSQVGLSA-N 2 2 335.521 3.137 10 0 EGAELP C[NH+](C)CCN(Cc1ccco1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000349292532 456933655 /nfs/dbraw/zinc/93/36/55/456933655.db2.gz CTTMLQBBOIWVOP-UHFFFAOYSA-N 2 2 338.455 3.088 10 0 EGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000354125894 457080423 /nfs/dbraw/zinc/08/04/23/457080423.db2.gz URDZRDYJVGXCRX-AOIWGVFYSA-N 2 2 337.552 3.124 10 0 EGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000354125894 457080429 /nfs/dbraw/zinc/08/04/29/457080429.db2.gz URDZRDYJVGXCRX-AOIWGVFYSA-N 2 2 337.552 3.124 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000339441489 457122012 /nfs/dbraw/zinc/12/20/12/457122012.db2.gz OYAPXNUGQRPTPD-AWEZNQCLSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000339441489 457122017 /nfs/dbraw/zinc/12/20/17/457122017.db2.gz OYAPXNUGQRPTPD-AWEZNQCLSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000339441489 457122021 /nfs/dbraw/zinc/12/20/21/457122021.db2.gz OYAPXNUGQRPTPD-AWEZNQCLSA-N 2 2 333.423 3.388 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000339441489 457122027 /nfs/dbraw/zinc/12/20/27/457122027.db2.gz OYAPXNUGQRPTPD-AWEZNQCLSA-N 2 2 333.423 3.388 10 0 EGAELP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254048 457312224 /nfs/dbraw/zinc/31/22/24/457312224.db2.gz GEJMVOLOQVEVHJ-XHSDSOJGSA-N 2 2 328.460 3.202 10 0 EGAELP C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254048 457312229 /nfs/dbraw/zinc/31/22/29/457312229.db2.gz GEJMVOLOQVEVHJ-XHSDSOJGSA-N 2 2 328.460 3.202 10 0 EGAELP CS[C@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000425363755 457519633 /nfs/dbraw/zinc/51/96/33/457519633.db2.gz YAVOLEBIGIDKBX-PMACEKPBSA-N 2 2 347.572 3.068 10 0 EGAELP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccccc1F ZINC000361060419 457554116 /nfs/dbraw/zinc/55/41/16/457554116.db2.gz VVDFBGPHHMZWTE-UHFFFAOYSA-N 2 2 344.434 3.153 10 0 EGAELP CC1(C)CC([NH2+]Cc2nccn2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000347649967 457575259 /nfs/dbraw/zinc/57/52/59/457575259.db2.gz JVEXXXDBTDFUEM-UHFFFAOYSA-N 2 2 326.488 3.330 10 0 EGAELP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320159 457583337 /nfs/dbraw/zinc/58/33/37/457583337.db2.gz GCUIBDKWGPAFDC-HOTGVXAUSA-N 2 2 333.476 3.131 10 0 EGAELP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320159 457583341 /nfs/dbraw/zinc/58/33/41/457583341.db2.gz GCUIBDKWGPAFDC-HOTGVXAUSA-N 2 2 333.476 3.131 10 0 EGAELP COc1cccc2c1CC[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C2 ZINC000425936547 457655822 /nfs/dbraw/zinc/65/58/22/457655822.db2.gz NLGSDJOWEZTAIH-PMACEKPBSA-N 2 2 338.495 3.315 10 0 EGAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364727659 457681553 /nfs/dbraw/zinc/68/15/53/457681553.db2.gz GMRCJPJZHVPYIK-MRXNPFEDSA-N 2 2 338.455 3.257 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361348133 457701565 /nfs/dbraw/zinc/70/15/65/457701565.db2.gz HQFOHWANGJLOKF-ZDUSSCGKSA-N 2 2 338.377 3.289 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361348133 457701567 /nfs/dbraw/zinc/70/15/67/457701567.db2.gz HQFOHWANGJLOKF-ZDUSSCGKSA-N 2 2 338.377 3.289 10 0 EGAELP COc1cc(Cl)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000370728772 457708603 /nfs/dbraw/zinc/70/86/03/457708603.db2.gz DCGNYVMPKNGTPU-JTQLQIEISA-N 2 2 326.227 3.372 10 0 EGAELP COC[C@@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000361378793 457712094 /nfs/dbraw/zinc/71/20/94/457712094.db2.gz SKUKNQWOVWYHRQ-QUCCMNQESA-N 2 2 345.487 3.299 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001950 457736164 /nfs/dbraw/zinc/73/61/64/457736164.db2.gz FWPRCHMWVIWOKX-TYILLQQXSA-N 2 2 327.472 3.168 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001950 457736167 /nfs/dbraw/zinc/73/61/67/457736167.db2.gz FWPRCHMWVIWOKX-TYILLQQXSA-N 2 2 327.472 3.168 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000358001844 457736287 /nfs/dbraw/zinc/73/62/87/457736287.db2.gz FHGWWTIIQYDREM-MJVIPROJSA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000358001844 457736290 /nfs/dbraw/zinc/73/62/90/457736290.db2.gz FHGWWTIIQYDREM-MJVIPROJSA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000361519268 457767298 /nfs/dbraw/zinc/76/72/98/457767298.db2.gz NLKXHTLDZFYZKO-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000361868666 457918335 /nfs/dbraw/zinc/91/83/35/457918335.db2.gz OHCBZSIWHBCBRL-MOPGFXCFSA-N 2 2 327.472 3.410 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000361868666 457918343 /nfs/dbraw/zinc/91/83/43/457918343.db2.gz OHCBZSIWHBCBRL-MOPGFXCFSA-N 2 2 327.472 3.410 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C[NH+]1CCOCC1 ZINC000361890788 457934582 /nfs/dbraw/zinc/93/45/82/457934582.db2.gz GEMINHWGLPYDPO-ROUUACIJSA-N 2 2 339.483 3.368 10 0 EGAELP COC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000361922862 457956861 /nfs/dbraw/zinc/95/68/61/457956861.db2.gz CCMBEKOXAYGQQA-OQUMVOOASA-N 2 2 331.504 3.087 10 0 EGAELP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000361922862 457956866 /nfs/dbraw/zinc/95/68/66/457956866.db2.gz CCMBEKOXAYGQQA-OQUMVOOASA-N 2 2 331.504 3.087 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000428269149 458110068 /nfs/dbraw/zinc/11/00/68/458110068.db2.gz PCBRVGGDKQWUPL-UHFFFAOYSA-N 2 2 340.515 3.078 10 0 EGAELP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000447563727 458311441 /nfs/dbraw/zinc/31/14/41/458311441.db2.gz RXJSQIHIHLDDAV-GFCCVEGCSA-N 2 2 334.391 3.118 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000376595757 458348260 /nfs/dbraw/zinc/34/82/60/458348260.db2.gz QQKZUWACYDPBKR-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000376595757 458348267 /nfs/dbraw/zinc/34/82/67/458348267.db2.gz QQKZUWACYDPBKR-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP c1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n(-c2ccccc2)n1 ZINC000447946466 458369192 /nfs/dbraw/zinc/36/91/92/458369192.db2.gz VPDQTKCDOAUULM-UHFFFAOYSA-N 2 2 331.423 3.471 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170246 458415513 /nfs/dbraw/zinc/41/55/13/458415513.db2.gz UJWCALCMGQOJSR-FQEVSTJZSA-N 2 2 325.431 3.415 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170246 458415518 /nfs/dbraw/zinc/41/55/18/458415518.db2.gz UJWCALCMGQOJSR-FQEVSTJZSA-N 2 2 325.431 3.415 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170246 458415522 /nfs/dbraw/zinc/41/55/22/458415522.db2.gz UJWCALCMGQOJSR-FQEVSTJZSA-N 2 2 325.431 3.415 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170246 458415524 /nfs/dbraw/zinc/41/55/24/458415524.db2.gz UJWCALCMGQOJSR-FQEVSTJZSA-N 2 2 325.431 3.415 10 0 EGAELP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663291 458440049 /nfs/dbraw/zinc/44/00/49/458440049.db2.gz WTVWMGNUIKHCSQ-VQIMIIECSA-N 3 2 326.488 3.467 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000377799637 458532694 /nfs/dbraw/zinc/53/26/94/458532694.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000377799637 458532698 /nfs/dbraw/zinc/53/26/98/458532698.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799637 458532704 /nfs/dbraw/zinc/53/27/04/458532704.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000377799637 458532707 /nfs/dbraw/zinc/53/27/07/458532707.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 3 2 336.483 3.052 10 0 EGAELP CC(C)C[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(=O)Nc1nccs1 ZINC000424155325 458572765 /nfs/dbraw/zinc/57/27/65/458572765.db2.gz KUEDUJXVAJXWTJ-AWEZNQCLSA-N 2 2 335.477 3.064 10 0 EGAELP CN(C)c1ncc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)s1 ZINC000494429502 458674824 /nfs/dbraw/zinc/67/48/24/458674824.db2.gz KGXXODVLGXSLLM-IBGZPJMESA-N 2 2 344.528 3.353 10 0 EGAELP CN(C)c1ncc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)s1 ZINC000494429502 458674833 /nfs/dbraw/zinc/67/48/33/458674833.db2.gz KGXXODVLGXSLLM-IBGZPJMESA-N 2 2 344.528 3.353 10 0 EGAELP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216949 458720194 /nfs/dbraw/zinc/72/01/94/458720194.db2.gz QYQBOROPVOCMIJ-UZLBHIALSA-N 3 2 345.531 3.472 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245564 458729131 /nfs/dbraw/zinc/72/91/31/458729131.db2.gz ZDZHIBWMLHZLNE-RHSMWYFYSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245564 458729134 /nfs/dbraw/zinc/72/91/34/458729134.db2.gz ZDZHIBWMLHZLNE-RHSMWYFYSA-N 2 2 326.843 3.119 10 0 EGAELP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000531143009 458877651 /nfs/dbraw/zinc/87/76/51/458877651.db2.gz WOAAJIFPQQJUTG-IBGZPJMESA-N 2 2 349.563 3.221 10 0 EGAELP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000531143009 458877654 /nfs/dbraw/zinc/87/76/54/458877654.db2.gz WOAAJIFPQQJUTG-IBGZPJMESA-N 2 2 349.563 3.221 10 0 EGAELP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000556166376 458933845 /nfs/dbraw/zinc/93/38/45/458933845.db2.gz RKBZCNRNYQWMBX-UHFFFAOYSA-N 2 2 325.428 3.472 10 0 EGAELP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc21 ZINC000566662788 458978255 /nfs/dbraw/zinc/97/82/55/458978255.db2.gz DSTFCUCHXMRGGV-LJQANCHMSA-N 2 2 347.422 3.069 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000467550437 458980494 /nfs/dbraw/zinc/98/04/94/458980494.db2.gz KIAHSOFLDRZWLE-UHFFFAOYSA-N 2 2 337.467 3.080 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970023 459009944 /nfs/dbraw/zinc/00/99/44/459009944.db2.gz YIYMURNPVGATAL-UGKGYDQZSA-N 3 2 343.559 3.261 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970023 459009949 /nfs/dbraw/zinc/00/99/49/459009949.db2.gz YIYMURNPVGATAL-UGKGYDQZSA-N 3 2 343.559 3.261 10 0 EGAELP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000556958223 459037440 /nfs/dbraw/zinc/03/74/40/459037440.db2.gz HMGGDEGEXGFMMV-OAHLLOKOSA-N 2 2 340.427 3.385 10 0 EGAELP CCC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccsc1 ZINC000443098628 459087224 /nfs/dbraw/zinc/08/72/24/459087224.db2.gz AXXANCNKTIFJFX-JKSUJKDBSA-N 2 2 346.500 3.104 10 0 EGAELP Cc1c[nH+]c(C)nc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000558524454 459170920 /nfs/dbraw/zinc/17/09/20/459170920.db2.gz DCEPYSNMHACDAD-UHFFFAOYSA-N 2 2 332.398 3.448 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146125 459185697 /nfs/dbraw/zinc/18/56/97/459185697.db2.gz VWZPZRLPZWRYLC-ICSRJNTNSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000480146125 459185700 /nfs/dbraw/zinc/18/57/00/459185700.db2.gz VWZPZRLPZWRYLC-ICSRJNTNSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161538 459186303 /nfs/dbraw/zinc/18/63/03/459186303.db2.gz RYAUGVPTRPJUNQ-TZIWHRDSSA-N 3 2 329.532 3.363 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161538 459186310 /nfs/dbraw/zinc/18/63/10/459186310.db2.gz RYAUGVPTRPJUNQ-TZIWHRDSSA-N 3 2 329.532 3.363 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000534311534 459311364 /nfs/dbraw/zinc/31/13/64/459311364.db2.gz UFURYFINAOIANQ-UHFFFAOYSA-N 2 2 332.879 3.328 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c(C)o1 ZINC000595508831 459328996 /nfs/dbraw/zinc/32/89/96/459328996.db2.gz CKFUIAQUPZDOEE-UHFFFAOYSA-N 2 2 342.439 3.129 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000560405133 459339352 /nfs/dbraw/zinc/33/93/52/459339352.db2.gz PCAHULWDUBZDAT-KGLIPLIRSA-N 2 2 344.484 3.231 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC000560405133 459339359 /nfs/dbraw/zinc/33/93/59/459339359.db2.gz PCAHULWDUBZDAT-KGLIPLIRSA-N 2 2 344.484 3.231 10 0 EGAELP CC1=C(C)C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000582787106 459427960 /nfs/dbraw/zinc/42/79/60/459427960.db2.gz XIPOHVMJAJJXCK-IBGZPJMESA-N 2 2 347.547 3.189 10 0 EGAELP CC(C)(C)OC(=O)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000596063548 459506621 /nfs/dbraw/zinc/50/66/21/459506621.db2.gz NNMFNKQJCPOPPF-MRXNPFEDSA-N 2 2 329.444 3.182 10 0 EGAELP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000569845954 459520566 /nfs/dbraw/zinc/52/05/66/459520566.db2.gz VWQPSBPHVGMKBW-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000569845954 459520572 /nfs/dbraw/zinc/52/05/72/459520572.db2.gz VWQPSBPHVGMKBW-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)C2 ZINC000569892788 459526296 /nfs/dbraw/zinc/52/62/96/459526296.db2.gz UTMCIOVHJDMFEZ-PBHICJAKSA-N 2 2 333.439 3.120 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000569892788 459526300 /nfs/dbraw/zinc/52/63/00/459526300.db2.gz UTMCIOVHJDMFEZ-PBHICJAKSA-N 2 2 333.439 3.120 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573121452 459629546 /nfs/dbraw/zinc/62/95/46/459629546.db2.gz DBRLSXSHIWXTOJ-IRLDBZIGSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573121452 459629554 /nfs/dbraw/zinc/62/95/54/459629554.db2.gz DBRLSXSHIWXTOJ-IRLDBZIGSA-N 2 2 349.478 3.442 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2cc(F)c(Br)cc2F)n1C ZINC000527790775 459737546 /nfs/dbraw/zinc/73/75/46/459737546.db2.gz KOQLPIXUSPHITH-UHFFFAOYSA-N 2 2 330.176 3.059 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806429 459744283 /nfs/dbraw/zinc/74/42/83/459744283.db2.gz KNCSKSACAOTOJW-GOSISDBHSA-N 2 2 340.471 3.192 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806429 459744289 /nfs/dbraw/zinc/74/42/89/459744289.db2.gz KNCSKSACAOTOJW-GOSISDBHSA-N 2 2 340.471 3.192 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527806441 459744322 /nfs/dbraw/zinc/74/43/22/459744322.db2.gz KQOSNBRDHOECNH-HNNXBMFYSA-N 2 2 346.425 3.461 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527806441 459744332 /nfs/dbraw/zinc/74/43/32/459744332.db2.gz KQOSNBRDHOECNH-HNNXBMFYSA-N 2 2 346.425 3.461 10 0 EGAELP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810014 459745486 /nfs/dbraw/zinc/74/54/86/459745486.db2.gz TUMACTKJEUDMIC-IBGZPJMESA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810014 459745490 /nfs/dbraw/zinc/74/54/90/459745490.db2.gz TUMACTKJEUDMIC-IBGZPJMESA-N 2 2 332.488 3.208 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946700 459778866 /nfs/dbraw/zinc/77/88/66/459778866.db2.gz ILPNRBGDYDTNFD-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946700 459778869 /nfs/dbraw/zinc/77/88/69/459778869.db2.gz ILPNRBGDYDTNFD-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949454 459779269 /nfs/dbraw/zinc/77/92/69/459779269.db2.gz NPYLZHVUMVRPQB-IEBWSBKVSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527949454 459779274 /nfs/dbraw/zinc/77/92/74/459779274.db2.gz NPYLZHVUMVRPQB-IEBWSBKVSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946991 459779963 /nfs/dbraw/zinc/77/99/63/459779963.db2.gz JJDOFZBSFOBHFB-AEFFLSMTSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946991 459779967 /nfs/dbraw/zinc/77/99/67/459779967.db2.gz JJDOFZBSFOBHFB-AEFFLSMTSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951047 459781222 /nfs/dbraw/zinc/78/12/22/459781222.db2.gz QCMOYPAFIHYTBD-UZLBHIALSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951047 459781224 /nfs/dbraw/zinc/78/12/24/459781224.db2.gz QCMOYPAFIHYTBD-UZLBHIALSA-N 2 2 343.515 3.446 10 0 EGAELP CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC(F)F ZINC000584840063 459811937 /nfs/dbraw/zinc/81/19/37/459811937.db2.gz XKURIFUSKKGWMJ-SFHVURJKSA-N 2 2 340.414 3.262 10 0 EGAELP CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC(F)F ZINC000584840063 459811939 /nfs/dbraw/zinc/81/19/39/459811939.db2.gz XKURIFUSKKGWMJ-SFHVURJKSA-N 2 2 340.414 3.262 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613905 459994032 /nfs/dbraw/zinc/99/40/32/459994032.db2.gz PYQIRRRWGAKXIW-WBVHZDCISA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613905 459994036 /nfs/dbraw/zinc/99/40/36/459994036.db2.gz PYQIRRRWGAKXIW-WBVHZDCISA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613905 459994044 /nfs/dbraw/zinc/99/40/44/459994044.db2.gz PYQIRRRWGAKXIW-WBVHZDCISA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613905 459994049 /nfs/dbraw/zinc/99/40/49/459994049.db2.gz PYQIRRRWGAKXIW-WBVHZDCISA-N 2 2 348.487 3.461 10 0 EGAELP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000621760297 460054285 /nfs/dbraw/zinc/05/42/85/460054285.db2.gz IKTSXKVCBXGSBC-ZDUSSCGKSA-N 2 2 344.203 3.321 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)Nc2c[nH+]c3c(C)cccn23)o1 ZINC000619012520 460248174 /nfs/dbraw/zinc/24/81/74/460248174.db2.gz CQPMMSMUORXKGD-UHFFFAOYSA-N 2 2 326.400 3.330 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000600128678 460395115 /nfs/dbraw/zinc/39/51/15/460395115.db2.gz ADHYQNVEYIJTGH-SUMWQHHRSA-N 2 2 344.459 3.088 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000600128678 460395121 /nfs/dbraw/zinc/39/51/21/460395121.db2.gz ADHYQNVEYIJTGH-SUMWQHHRSA-N 2 2 344.459 3.088 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139969 460396217 /nfs/dbraw/zinc/39/62/17/460396217.db2.gz HFWBPQZGIXHECJ-PWIZWCRZSA-N 2 2 327.472 3.360 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139969 460396223 /nfs/dbraw/zinc/39/62/23/460396223.db2.gz HFWBPQZGIXHECJ-PWIZWCRZSA-N 2 2 327.472 3.360 10 0 EGAELP Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604327152 460407330 /nfs/dbraw/zinc/40/73/30/460407330.db2.gz QVURBLCRIKOTBQ-INIZCTEOSA-N 2 2 325.412 3.006 10 0 EGAELP Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604327152 460407331 /nfs/dbraw/zinc/40/73/31/460407331.db2.gz QVURBLCRIKOTBQ-INIZCTEOSA-N 2 2 325.412 3.006 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631661723 460496677 /nfs/dbraw/zinc/49/66/77/460496677.db2.gz VMSAHGDRUWUPAR-INIZCTEOSA-N 2 2 330.394 3.203 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521281 /nfs/dbraw/zinc/52/12/81/460521281.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 3 2 335.561 3.423 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521289 /nfs/dbraw/zinc/52/12/89/460521289.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521296 /nfs/dbraw/zinc/52/12/96/460521296.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521304 /nfs/dbraw/zinc/52/13/04/460521304.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 3 2 335.561 3.423 10 0 EGAELP c1cn(-c2cc(NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)ncn2)c[nH+]1 ZINC000607144103 460796505 /nfs/dbraw/zinc/79/65/05/460796505.db2.gz GKQZRSYGBAEOBU-GOSISDBHSA-N 2 2 348.454 3.129 10 0 EGAELP c1cn(-c2cc(NC[C@H]3CCCC[N@H+]3Cc3ccccc3)ncn2)c[nH+]1 ZINC000607144103 460796508 /nfs/dbraw/zinc/79/65/08/460796508.db2.gz GKQZRSYGBAEOBU-GOSISDBHSA-N 2 2 348.454 3.129 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000629584109 460815441 /nfs/dbraw/zinc/81/54/41/460815441.db2.gz LHYJVYSOLVZYLC-IYBDPMFKSA-N 2 2 329.271 3.304 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000629584109 460815447 /nfs/dbraw/zinc/81/54/47/460815447.db2.gz LHYJVYSOLVZYLC-IYBDPMFKSA-N 2 2 329.271 3.304 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624011817 460821008 /nfs/dbraw/zinc/82/10/08/460821008.db2.gz JJAYLBDMEMFNNG-MRXNPFEDSA-N 2 2 335.455 3.051 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624011817 460821013 /nfs/dbraw/zinc/82/10/13/460821013.db2.gz JJAYLBDMEMFNNG-MRXNPFEDSA-N 2 2 335.455 3.051 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@@H]3CC=CCC3)c2cc1C ZINC000629597544 460821224 /nfs/dbraw/zinc/82/12/24/460821224.db2.gz MIJOAMGDBBRCEW-QZTJIDSGSA-N 2 2 327.472 3.350 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)ccc1OCC(F)(F)F ZINC000629653600 460849182 /nfs/dbraw/zinc/84/91/82/460849182.db2.gz KMVJUVKJYVWOSX-UONOGXRCSA-N 2 2 346.393 3.257 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123184 460873335 /nfs/dbraw/zinc/87/33/35/460873335.db2.gz HJHXRFBMWYSSGH-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123184 460873339 /nfs/dbraw/zinc/87/33/39/460873339.db2.gz HJHXRFBMWYSSGH-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189639 460904060 /nfs/dbraw/zinc/90/40/60/460904060.db2.gz VUKRLIRZKVICKG-KSSFIOAISA-N 2 2 333.451 3.149 10 0 EGAELP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189639 460904064 /nfs/dbraw/zinc/90/40/64/460904064.db2.gz VUKRLIRZKVICKG-KSSFIOAISA-N 2 2 333.451 3.149 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC3CC[NH+](C4CCC4)CC3)n1)C2 ZINC000624260478 460934608 /nfs/dbraw/zinc/93/46/08/460934608.db2.gz PCHICXOEJALTMW-UHFFFAOYSA-N 2 2 349.482 3.426 10 0 EGAELP Cc1ncccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000608071372 460978322 /nfs/dbraw/zinc/97/83/22/460978322.db2.gz ZPFIPXQVNPZMES-UHFFFAOYSA-N 2 2 344.890 3.085 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n1)C2 ZINC000624375614 460981464 /nfs/dbraw/zinc/98/14/64/460981464.db2.gz UTOPVBGIZQKLJM-MOPGFXCFSA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n1)C2 ZINC000624375614 460981466 /nfs/dbraw/zinc/98/14/66/460981466.db2.gz UTOPVBGIZQKLJM-MOPGFXCFSA-N 2 2 349.482 3.426 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1=CCSC1 ZINC000662264882 461154021 /nfs/dbraw/zinc/15/40/21/461154021.db2.gz URLWEGURJOKVFI-ZDUSSCGKSA-N 2 2 342.468 3.009 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1=CCSC1 ZINC000662264882 461154027 /nfs/dbraw/zinc/15/40/27/461154027.db2.gz URLWEGURJOKVFI-ZDUSSCGKSA-N 2 2 342.468 3.009 10 0 EGAELP C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649577971 461189339 /nfs/dbraw/zinc/18/93/39/461189339.db2.gz APJJMKOUJFZPGT-IEBWSBKVSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649577971 461189346 /nfs/dbraw/zinc/18/93/46/461189346.db2.gz APJJMKOUJFZPGT-IEBWSBKVSA-N 2 2 338.499 3.220 10 0 EGAELP c1cn([C@@H]2CCC[N@@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)c[nH+]1 ZINC000638017441 461199339 /nfs/dbraw/zinc/19/93/39/461199339.db2.gz HFDHHQUJKVTYPL-GOSISDBHSA-N 2 2 348.454 3.178 10 0 EGAELP c1cn([C@@H]2CCC[N@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)c[nH+]1 ZINC000638017441 461199352 /nfs/dbraw/zinc/19/93/52/461199352.db2.gz HFDHHQUJKVTYPL-GOSISDBHSA-N 2 2 348.454 3.178 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655685509 461361742 /nfs/dbraw/zinc/36/17/42/461361742.db2.gz GGZDPDLKDMKOTK-ZWKOTPCHSA-N 2 2 333.545 3.072 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803661 461463700 /nfs/dbraw/zinc/46/37/00/461463700.db2.gz VQRYQRMLSRNVAT-BDXSIMOUSA-N 2 2 342.487 3.021 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659903683 461490711 /nfs/dbraw/zinc/49/07/11/461490711.db2.gz QBPZWLANDHUTIQ-UYAOXDASSA-N 2 2 338.499 3.122 10 0 EGAELP CSc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000659911271 461494324 /nfs/dbraw/zinc/49/43/24/461494324.db2.gz WQXSWZAXTOITCK-GOSISDBHSA-N 2 2 333.545 3.010 10 0 EGAELP CSc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000659911271 461494332 /nfs/dbraw/zinc/49/43/32/461494332.db2.gz WQXSWZAXTOITCK-GOSISDBHSA-N 2 2 333.545 3.010 10 0 EGAELP COc1cncc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000631064606 461516945 /nfs/dbraw/zinc/51/69/45/461516945.db2.gz LZZKHHZSYCSZDA-VQIMIIECSA-N 2 2 325.456 3.324 10 0 EGAELP COc1cncc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000631064606 461516956 /nfs/dbraw/zinc/51/69/56/461516956.db2.gz LZZKHHZSYCSZDA-VQIMIIECSA-N 2 2 325.456 3.324 10 0 EGAELP c1cn2c(cccc2C[NH2+]CC[C@@H]2CSc3ccccc3O2)[nH+]1 ZINC000647227555 461573526 /nfs/dbraw/zinc/57/35/26/461573526.db2.gz CRXQSKWNOUBIKL-OAHLLOKOSA-N 2 2 325.437 3.367 10 0 EGAELP c1cn2c(cccc2C[NH2+]CC[C@H]2CSc3ccccc3O2)[nH+]1 ZINC000647227554 461573683 /nfs/dbraw/zinc/57/36/83/461573683.db2.gz CRXQSKWNOUBIKL-HNNXBMFYSA-N 2 2 325.437 3.367 10 0 EGAELP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC000647281217 461607229 /nfs/dbraw/zinc/60/72/29/461607229.db2.gz CDADQSXWINIFRM-QGZVFWFLSA-N 2 2 326.488 3.392 10 0 EGAELP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC000647281217 461607239 /nfs/dbraw/zinc/60/72/39/461607239.db2.gz CDADQSXWINIFRM-QGZVFWFLSA-N 2 2 326.488 3.392 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000656127903 461609636 /nfs/dbraw/zinc/60/96/36/461609636.db2.gz ANLVJFPDTMGIKQ-ZFWWWQNUSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000656127903 461609644 /nfs/dbraw/zinc/60/96/44/461609644.db2.gz ANLVJFPDTMGIKQ-ZFWWWQNUSA-N 2 2 332.473 3.350 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647286659 461612320 /nfs/dbraw/zinc/61/23/20/461612320.db2.gz JRPVAGYRHWHYJW-INIZCTEOSA-N 2 2 342.487 3.011 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(NCc3ccn4cc[nH+]c4c3)n2)C1 ZINC000656147178 461622983 /nfs/dbraw/zinc/62/29/83/461622983.db2.gz ADEZTMQVGSNKRA-UHFFFAOYSA-N 2 2 336.443 3.363 10 0 EGAELP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499068 461673143 /nfs/dbraw/zinc/67/31/43/461673143.db2.gz WFRFHXSMLHGKIC-UHFFFAOYSA-N 2 2 338.499 3.071 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000643377734 461712586 /nfs/dbraw/zinc/71/25/86/461712586.db2.gz WNVQSPMLRKDREL-QGZVFWFLSA-N 2 2 338.459 3.054 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000643377734 461712594 /nfs/dbraw/zinc/71/25/94/461712594.db2.gz WNVQSPMLRKDREL-QGZVFWFLSA-N 2 2 338.459 3.054 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1Br ZINC000647553998 461764414 /nfs/dbraw/zinc/76/44/14/461764414.db2.gz OQFQMGLNDUFAHJ-CQSZACIVSA-N 2 2 327.241 3.353 10 0 EGAELP Fc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1OC(F)F ZINC000660436573 461778942 /nfs/dbraw/zinc/77/89/42/461778942.db2.gz SLGLHLPFQREAJK-CQSZACIVSA-N 2 2 338.329 3.475 10 0 EGAELP Fc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1OC(F)F ZINC000660436573 461778945 /nfs/dbraw/zinc/77/89/45/461778945.db2.gz SLGLHLPFQREAJK-CQSZACIVSA-N 2 2 338.329 3.475 10 0 EGAELP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302005 461851334 /nfs/dbraw/zinc/85/13/34/461851334.db2.gz YDWDILNZXKFEEV-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302005 461851340 /nfs/dbraw/zinc/85/13/40/461851340.db2.gz YDWDILNZXKFEEV-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302005 461851345 /nfs/dbraw/zinc/85/13/45/461851345.db2.gz YDWDILNZXKFEEV-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302005 461851352 /nfs/dbraw/zinc/85/13/52/461851352.db2.gz YDWDILNZXKFEEV-FFGOWVMKSA-N 2 2 339.508 3.486 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899431 461874967 /nfs/dbraw/zinc/87/49/67/461874967.db2.gz KHNGOFJNDBMAOL-ARFHVFGLSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899431 461874972 /nfs/dbraw/zinc/87/49/72/461874972.db2.gz KHNGOFJNDBMAOL-ARFHVFGLSA-N 2 2 347.528 3.200 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)s2)cc1F ZINC000656790591 461901290 /nfs/dbraw/zinc/90/12/90/461901290.db2.gz CFSLZECBIZBNAO-RDJZCZTQSA-N 2 2 334.460 3.440 10 0 EGAELP CC(C)N(C)c1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000656792695 461902779 /nfs/dbraw/zinc/90/27/79/461902779.db2.gz NAKWPHMAMPLPDG-LJQANCHMSA-N 2 2 340.471 3.199 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664009692 461912837 /nfs/dbraw/zinc/91/28/37/461912837.db2.gz XXVALCFMBYZPQB-UHFFFAOYSA-N 2 2 325.456 3.234 10 0 EGAELP Cc1ccc2cc[nH+]c(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000664009692 461912843 /nfs/dbraw/zinc/91/28/43/461912843.db2.gz XXVALCFMBYZPQB-UHFFFAOYSA-N 2 2 325.456 3.234 10 0 EGAELP CC(C)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(CO)CC=CC1 ZINC000648069884 461967063 /nfs/dbraw/zinc/96/70/63/461967063.db2.gz QQRGGMDEBLQKIV-KRWDZBQOSA-N 2 2 331.485 3.377 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657338059 462055919 /nfs/dbraw/zinc/05/59/19/462055919.db2.gz HSDYKLYREBYGSM-HNNXBMFYSA-N 2 2 345.516 3.066 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657338059 462055928 /nfs/dbraw/zinc/05/59/28/462055928.db2.gz HSDYKLYREBYGSM-HNNXBMFYSA-N 2 2 345.516 3.066 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657345167 462061317 /nfs/dbraw/zinc/06/13/17/462061317.db2.gz IPSQRVLNAZEVHF-GOSISDBHSA-N 2 2 345.512 3.319 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657345167 462061324 /nfs/dbraw/zinc/06/13/24/462061324.db2.gz IPSQRVLNAZEVHF-GOSISDBHSA-N 2 2 345.512 3.319 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@@H]1c1cccs1 ZINC000657375447 462080755 /nfs/dbraw/zinc/08/07/55/462080755.db2.gz ZGURRCKKWLHCNR-RDTXWAMCSA-N 2 2 330.501 3.064 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@@H]1c1cccs1 ZINC000657375447 462080760 /nfs/dbraw/zinc/08/07/60/462080760.db2.gz ZGURRCKKWLHCNR-RDTXWAMCSA-N 2 2 330.501 3.064 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657385671 462088200 /nfs/dbraw/zinc/08/82/00/462088200.db2.gz XADDJUYYINXYLG-UHFFFAOYSA-N 3 2 339.487 3.154 10 0 EGAELP C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657430055 462118217 /nfs/dbraw/zinc/11/82/17/462118217.db2.gz LLRJZUISXDNTRJ-WMZOPIPTSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657430055 462118225 /nfs/dbraw/zinc/11/82/25/462118225.db2.gz LLRJZUISXDNTRJ-WMZOPIPTSA-N 2 2 339.487 3.003 10 0 EGAELP CC(C)(C[NH2+]Cc1c(F)cncc1Br)C[NH+]1CCCC1 ZINC000657446511 462129354 /nfs/dbraw/zinc/12/93/54/462129354.db2.gz JMFPSPJSMFRITJ-UHFFFAOYSA-N 2 2 344.272 3.195 10 0 EGAELP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000657463586 462139113 /nfs/dbraw/zinc/13/91/13/462139113.db2.gz OSXFTSOCBBIBJY-WJXKREEZSA-N 2 2 335.536 3.019 10 0 EGAELP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000657463586 462139118 /nfs/dbraw/zinc/13/91/18/462139118.db2.gz OSXFTSOCBBIBJY-WJXKREEZSA-N 2 2 335.536 3.019 10 0 EGAELP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000657463583 462139233 /nfs/dbraw/zinc/13/92/33/462139233.db2.gz OSXFTSOCBBIBJY-SCIMBWJRSA-N 2 2 335.536 3.019 10 0 EGAELP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000657463583 462139237 /nfs/dbraw/zinc/13/92/37/462139237.db2.gz OSXFTSOCBBIBJY-SCIMBWJRSA-N 2 2 335.536 3.019 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000657524804 462166832 /nfs/dbraw/zinc/16/68/32/462166832.db2.gz RSJXLBILXSJZLW-MJGOQNOKSA-N 2 2 332.488 3.207 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000657524804 462166836 /nfs/dbraw/zinc/16/68/36/462166836.db2.gz RSJXLBILXSJZLW-MJGOQNOKSA-N 2 2 332.488 3.207 10 0 EGAELP CC[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000648562707 462176690 /nfs/dbraw/zinc/17/66/90/462176690.db2.gz FRFAWDKOWJGHEH-LBDPXKHJSA-N 2 2 334.426 3.339 10 0 EGAELP Fc1c(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cccc1OC1CC1 ZINC000657621624 462206644 /nfs/dbraw/zinc/20/66/44/462206644.db2.gz WGTNBOFNJPQWQH-UHFFFAOYSA-N 2 2 338.386 3.237 10 0 EGAELP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657795399 462270877 /nfs/dbraw/zinc/27/08/77/462270877.db2.gz HYCJVUNMJYDZKJ-KSSFIOAISA-N 2 2 327.453 3.188 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000658053436 462359456 /nfs/dbraw/zinc/35/94/56/462359456.db2.gz AQWBRAURHUGXMS-WBVHZDCISA-N 2 2 331.504 3.483 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000658053436 462359460 /nfs/dbraw/zinc/35/94/60/462359460.db2.gz AQWBRAURHUGXMS-WBVHZDCISA-N 2 2 331.504 3.483 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056950 462361607 /nfs/dbraw/zinc/36/16/07/462361607.db2.gz MTXXRGDSKZYZQS-NVXWUHKLSA-N 2 2 331.504 3.429 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056950 462361612 /nfs/dbraw/zinc/36/16/12/462361612.db2.gz MTXXRGDSKZYZQS-NVXWUHKLSA-N 2 2 331.504 3.429 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](CCF)C3)c2cc1C ZINC000661693633 462369052 /nfs/dbraw/zinc/36/90/52/462369052.db2.gz QUBOJVGPXCVZPV-SJORKVTESA-N 2 2 333.451 3.086 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](CCF)C3)c2cc1C ZINC000661693633 462369060 /nfs/dbraw/zinc/36/90/60/462369060.db2.gz QUBOJVGPXCVZPV-SJORKVTESA-N 2 2 333.451 3.086 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277338 462381844 /nfs/dbraw/zinc/38/18/44/462381844.db2.gz ZHHUWMQJGAIVRC-DFQSSKMNSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277338 462381848 /nfs/dbraw/zinc/38/18/48/462381848.db2.gz ZHHUWMQJGAIVRC-DFQSSKMNSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341176 462481695 /nfs/dbraw/zinc/48/16/95/462481695.db2.gz HDDRAZVQFJJGLJ-NVXWUHKLSA-N 2 2 339.474 3.072 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341176 462481701 /nfs/dbraw/zinc/48/17/01/462481701.db2.gz HDDRAZVQFJJGLJ-NVXWUHKLSA-N 2 2 339.474 3.072 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCC2 ZINC000181475794 527840008 /nfs/dbraw/zinc/84/00/08/527840008.db2.gz YWUSVYSWEISGEW-IAGOWNOFSA-N 2 2 326.444 3.095 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172788183 535262520 /nfs/dbraw/zinc/26/25/20/535262520.db2.gz PKLNCSBEUGQQNJ-INIZCTEOSA-N 2 2 325.460 3.015 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172788183 535262522 /nfs/dbraw/zinc/26/25/22/535262522.db2.gz PKLNCSBEUGQQNJ-INIZCTEOSA-N 2 2 325.460 3.015 10 0 EGAELP CCCC[C@H](CC)CC[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361026096 547760933 /nfs/dbraw/zinc/76/09/33/547760933.db2.gz HMEJRVXPEKBZGQ-IRXDYDNUSA-N 2 2 334.508 3.107 10 0 EGAELP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccccc1Cl ZINC000374206061 547805215 /nfs/dbraw/zinc/80/52/15/547805215.db2.gz CAJHJLLCEAEMLM-QGZVFWFLSA-N 2 2 344.846 3.048 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000673600694 548580203 /nfs/dbraw/zinc/58/02/03/548580203.db2.gz LFTKEJPLNATMGV-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000673600694 548580206 /nfs/dbraw/zinc/58/02/06/548580206.db2.gz LFTKEJPLNATMGV-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879595 548821030 /nfs/dbraw/zinc/82/10/30/548821030.db2.gz UJPJEKVMTOPRGW-WDCWCFNPSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879595 548821035 /nfs/dbraw/zinc/82/10/35/548821035.db2.gz UJPJEKVMTOPRGW-WDCWCFNPSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000675141725 548853864 /nfs/dbraw/zinc/85/38/64/548853864.db2.gz LUYLTDUKVCSACR-YJBOKZPZSA-N 2 2 349.438 3.119 10 0 EGAELP C[C@H]1C[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000675141725 548853869 /nfs/dbraw/zinc/85/38/69/548853869.db2.gz LUYLTDUKVCSACR-YJBOKZPZSA-N 2 2 349.438 3.119 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000678791062 549561861 /nfs/dbraw/zinc/56/18/61/549561861.db2.gz LQZFFGDXMODRRM-QGZVFWFLSA-N 2 2 348.437 3.282 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000678791062 549561867 /nfs/dbraw/zinc/56/18/67/549561867.db2.gz LQZFFGDXMODRRM-QGZVFWFLSA-N 2 2 348.437 3.282 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328391 549849558 /nfs/dbraw/zinc/84/95/58/549849558.db2.gz JAPDYEMZUKDZAP-MRXNPFEDSA-N 2 2 327.457 3.177 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328391 549849561 /nfs/dbraw/zinc/84/95/61/549849561.db2.gz JAPDYEMZUKDZAP-MRXNPFEDSA-N 2 2 327.457 3.177 10 0 EGAELP CSc1ccccc1C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000684212302 550305133 /nfs/dbraw/zinc/30/51/33/550305133.db2.gz YQYVBTIAJFGGNJ-LJQANCHMSA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000684212302 550305136 /nfs/dbraw/zinc/30/51/36/550305136.db2.gz YQYVBTIAJFGGNJ-LJQANCHMSA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000684212302 550305138 /nfs/dbraw/zinc/30/51/38/550305138.db2.gz YQYVBTIAJFGGNJ-LJQANCHMSA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000684212302 550305141 /nfs/dbraw/zinc/30/51/41/550305141.db2.gz YQYVBTIAJFGGNJ-LJQANCHMSA-N 2 2 344.524 3.333 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919777 574895835 /nfs/dbraw/zinc/89/58/35/574895835.db2.gz CRTOQRDKXZRKMN-XJKSGUPXSA-N 2 2 339.361 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919777 574895837 /nfs/dbraw/zinc/89/58/37/574895837.db2.gz CRTOQRDKXZRKMN-XJKSGUPXSA-N 2 2 339.361 3.272 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000738918505 576369117 /nfs/dbraw/zinc/36/91/17/576369117.db2.gz BXHIBWWWAGIAFM-SFHVURJKSA-N 2 2 349.438 3.163 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000738918505 576369118 /nfs/dbraw/zinc/36/91/18/576369118.db2.gz BXHIBWWWAGIAFM-SFHVURJKSA-N 2 2 349.438 3.163 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393676 576778940 /nfs/dbraw/zinc/77/89/40/576778940.db2.gz ZVGQLHLXSVDWEF-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160767515 1294277178 /nfs/dbraw/zinc/27/71/78/1294277178.db2.gz GKGCCIAICJAQGG-RXVVDRJESA-N 3 2 329.532 3.359 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160767515 1294277181 /nfs/dbraw/zinc/27/71/81/1294277181.db2.gz GKGCCIAICJAQGG-RXVVDRJESA-N 3 2 329.532 3.359 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150680 1296769787 /nfs/dbraw/zinc/76/97/87/1296769787.db2.gz ZMUQOEYXYQRKTC-KBPBESRZSA-N 2 2 329.410 3.336 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150680 1296769796 /nfs/dbraw/zinc/76/97/96/1296769796.db2.gz ZMUQOEYXYQRKTC-KBPBESRZSA-N 2 2 329.410 3.336 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872149862 1296770005 /nfs/dbraw/zinc/77/00/05/1296770005.db2.gz RMQSEZMHOILVMJ-JQWIXIFHSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872149862 1296770021 /nfs/dbraw/zinc/77/00/21/1296770021.db2.gz RMQSEZMHOILVMJ-JQWIXIFHSA-N 2 2 342.283 3.154 10 0 EGAELP Cc1cc[nH+]c(N)c1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894116992 1306228357 /nfs/dbraw/zinc/22/83/57/1306228357.db2.gz IQALSJUNLCFLJC-IYBDPMFKSA-N 2 2 340.471 3.194 10 0 EGAELP Cc1cc[nH+]c(N)c1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894116992 1306228360 /nfs/dbraw/zinc/22/83/60/1306228360.db2.gz IQALSJUNLCFLJC-IYBDPMFKSA-N 2 2 340.471 3.194 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccsc1 ZINC000895714482 1309484098 /nfs/dbraw/zinc/48/40/98/1309484098.db2.gz DMQGCZNTIUBULM-INIZCTEOSA-N 2 2 348.516 3.187 10 0 EGAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC000929432081 1328596608 /nfs/dbraw/zinc/59/66/08/1328596608.db2.gz NFOHVIPINIBCRP-UHFFFAOYSA-N 2 2 334.423 3.089 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(Cl)n(C)n1 ZINC000859249863 1328954896 /nfs/dbraw/zinc/95/48/96/1328954896.db2.gz BDWVCRRPRHOPNW-HUUCEWRRSA-N 2 2 346.906 3.320 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747352 1322390524 /nfs/dbraw/zinc/39/05/24/1322390524.db2.gz NKZILUNPIUUHAK-WBVHZDCISA-N 2 2 339.911 3.270 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747352 1322390525 /nfs/dbraw/zinc/39/05/25/1322390525.db2.gz NKZILUNPIUUHAK-WBVHZDCISA-N 2 2 339.911 3.270 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)[C@H](c2ccccc2)C1 ZINC000922212531 1322479511 /nfs/dbraw/zinc/47/95/11/1322479511.db2.gz RZOPGINRSCLCSX-WBVHZDCISA-N 2 2 344.890 3.376 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)[C@H](c2ccccc2)C1 ZINC000922212531 1322479514 /nfs/dbraw/zinc/47/95/14/1322479514.db2.gz RZOPGINRSCLCSX-WBVHZDCISA-N 2 2 344.890 3.376 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCc3nc4c(s3)CCC4)c2)c[nH+]1 ZINC000922715442 1322600965 /nfs/dbraw/zinc/60/09/65/1322600965.db2.gz RWEFHLHWXQFVSE-UHFFFAOYSA-N 2 2 330.482 3.211 10 0 EGAELP CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000922865172 1322634930 /nfs/dbraw/zinc/63/49/30/1322634930.db2.gz VNMUTJBESYSGKH-OLZOCXBDSA-N 2 2 343.456 3.305 10 0 EGAELP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1C ZINC000922954058 1322659547 /nfs/dbraw/zinc/65/95/47/1322659547.db2.gz GJSITJWQAQQURF-IBGZPJMESA-N 2 2 346.515 3.101 10 0 EGAELP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1C ZINC000922954058 1322659551 /nfs/dbraw/zinc/65/95/51/1322659551.db2.gz GJSITJWQAQQURF-IBGZPJMESA-N 2 2 346.515 3.101 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c[nH+]1 ZINC000924626761 1323081485 /nfs/dbraw/zinc/08/14/85/1323081485.db2.gz XOKZZFAOXRZZSK-PMACEKPBSA-N 2 2 325.456 3.226 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c[nH+]1 ZINC000924625143 1323081985 /nfs/dbraw/zinc/08/19/85/1323081985.db2.gz NODHOSUGLGXFTO-UXHICEINSA-N 2 2 325.456 3.226 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C)n1 ZINC000924767538 1323152519 /nfs/dbraw/zinc/15/25/19/1323152519.db2.gz BFRMTPZXNVYJRO-YLJYHZDGSA-N 2 2 349.482 3.415 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccns1 ZINC000924775799 1323156874 /nfs/dbraw/zinc/15/68/74/1323156874.db2.gz ISYICXJXZKFWRP-CABCVRRESA-N 2 2 331.485 3.215 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccns1 ZINC000924775799 1323156878 /nfs/dbraw/zinc/15/68/78/1323156878.db2.gz ISYICXJXZKFWRP-CABCVRRESA-N 2 2 331.485 3.215 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccns1 ZINC000924965092 1323230064 /nfs/dbraw/zinc/23/00/64/1323230064.db2.gz VTJOCOSLQYXSEM-UONOGXRCSA-N 2 2 348.491 3.446 10 0 EGAELP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000925057723 1323259872 /nfs/dbraw/zinc/25/98/72/1323259872.db2.gz SXJNTOGOHHBOPK-QAPCUYQASA-N 2 2 349.906 3.345 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1 ZINC000925181817 1325075148 /nfs/dbraw/zinc/07/51/48/1325075148.db2.gz XXIBQHQUWRDHEP-WTGUMLROSA-N 2 2 339.483 3.499 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1 ZINC000925181814 1325075403 /nfs/dbraw/zinc/07/54/03/1325075403.db2.gz XXIBQHQUWRDHEP-HAGHYFMRSA-N 2 2 339.483 3.499 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518366 1325187417 /nfs/dbraw/zinc/18/74/17/1325187417.db2.gz QEHFGABXSUFSOB-WMZOPIPTSA-N 3 2 344.547 3.217 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534176 1325196017 /nfs/dbraw/zinc/19/60/17/1325196017.db2.gz JGVLYBBKKWAZJM-WZGPROSRSA-N 3 2 347.572 3.326 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534176 1325196025 /nfs/dbraw/zinc/19/60/25/1325196025.db2.gz JGVLYBBKKWAZJM-WZGPROSRSA-N 3 2 347.572 3.326 10 0 EGAELP c1coc(COCc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2)c1 ZINC000925607348 1325229432 /nfs/dbraw/zinc/22/94/32/1325229432.db2.gz VPYZTRKTHZOGJO-LJQANCHMSA-N 2 2 326.440 3.371 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1nc(-c2ccccc2)no1 ZINC000925628014 1325237817 /nfs/dbraw/zinc/23/78/17/1325237817.db2.gz DHKWZPDXPFCAAY-HOCLYGCPSA-N 2 2 326.444 3.104 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000925729989 1325273561 /nfs/dbraw/zinc/27/35/61/1325273561.db2.gz LXFPAWSOAZTPRR-OAQYLSRUSA-N 2 2 343.515 3.446 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)CC1 ZINC000925731757 1325274814 /nfs/dbraw/zinc/27/48/14/1325274814.db2.gz VGMQLJHKXGOQCR-NLWGTHIKSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1sccc1Br ZINC000925782903 1325300857 /nfs/dbraw/zinc/30/08/57/1325300857.db2.gz MWNFXQARQQBARO-IUCAKERBSA-N 2 2 339.249 3.406 10 0 EGAELP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1cn2c([nH+]1)CCCC2 ZINC000926040992 1325400662 /nfs/dbraw/zinc/40/06/62/1325400662.db2.gz ATFCQKQNTUIRQZ-OAHLLOKOSA-N 2 2 328.460 3.333 10 0 EGAELP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](Cc1ccccc1)Cc1cccnc1)CC2 ZINC000926230035 1325484835 /nfs/dbraw/zinc/48/48/35/1325484835.db2.gz QNNIJZLOFITEOX-VQTJNVASSA-N 2 2 332.451 3.037 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000926450919 1325559684 /nfs/dbraw/zinc/55/96/84/1325559684.db2.gz TWLSBKBKPWWABN-RISCZKNCSA-N 2 2 347.260 3.092 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC000865728902 1329733372 /nfs/dbraw/zinc/73/33/72/1329733372.db2.gz AXOBPDFDCTUMOK-UHFFFAOYSA-N 2 2 341.455 3.393 10 0 EGAELP CSc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000866341205 1330098879 /nfs/dbraw/zinc/09/88/79/1330098879.db2.gz XARQAAUXXPUMOC-WOJBJXKFSA-N 2 2 342.508 3.154 10 0 EGAELP CSc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000866341205 1330098882 /nfs/dbraw/zinc/09/88/82/1330098882.db2.gz XARQAAUXXPUMOC-WOJBJXKFSA-N 2 2 342.508 3.154 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702551 1330142296 /nfs/dbraw/zinc/14/22/96/1330142296.db2.gz CPVZPOKQCIKIPG-NRFANRHFSA-N 2 2 345.531 3.447 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702551 1330142298 /nfs/dbraw/zinc/14/22/98/1330142298.db2.gz CPVZPOKQCIKIPG-NRFANRHFSA-N 2 2 345.531 3.447 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704792 1330143185 /nfs/dbraw/zinc/14/31/85/1330143185.db2.gz XXNNIWFOMFYHPX-HXUWFJFHSA-N 2 2 331.504 3.445 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704792 1330143187 /nfs/dbraw/zinc/14/31/87/1330143187.db2.gz XXNNIWFOMFYHPX-HXUWFJFHSA-N 2 2 331.504 3.445 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263029 1387319529 /nfs/dbraw/zinc/31/95/29/1387319529.db2.gz QOKAFNOWPBSRMT-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263029 1387319531 /nfs/dbraw/zinc/31/95/31/1387319531.db2.gz QOKAFNOWPBSRMT-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1 ZINC001324817418 1387782696 /nfs/dbraw/zinc/78/26/96/1387782696.db2.gz IELJBCROTXQFEW-HXUWFJFHSA-N 2 2 346.519 3.059 10 0 EGAELP CC(C)(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001325708296 1388032989 /nfs/dbraw/zinc/03/29/89/1388032989.db2.gz NTRNOKDWBRQHOX-UHFFFAOYSA-N 2 2 342.487 3.007 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)CC1 ZINC001119632069 1371379218 /nfs/dbraw/zinc/37/92/18/1371379218.db2.gz LEYUUZOIFUTDBP-ZHALLVOQSA-N 2 2 329.488 3.056 10 0 EGAELP O=C(NCCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266143625 1377206220 /nfs/dbraw/zinc/20/62/20/1377206220.db2.gz SIRWTRYVEOWTLA-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[N@@H+](CC1CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266143625 1377206222 /nfs/dbraw/zinc/20/62/22/1377206222.db2.gz SIRWTRYVEOWTLA-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266143625 1377206226 /nfs/dbraw/zinc/20/62/26/1377206226.db2.gz SIRWTRYVEOWTLA-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[N@@H+](CC1CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266143625 1377206228 /nfs/dbraw/zinc/20/62/28/1377206228.db2.gz SIRWTRYVEOWTLA-QZTJIDSGSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)c1cccc2[nH+]ccn21 ZINC001267170751 1377421775 /nfs/dbraw/zinc/42/17/75/1377421775.db2.gz STSXXWCHMQCEJD-KHSJVXASSA-N 2 2 346.862 3.061 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl)c1cccc2[nH+]ccn21 ZINC001267170751 1377421777 /nfs/dbraw/zinc/42/17/77/1377421777.db2.gz STSXXWCHMQCEJD-KHSJVXASSA-N 2 2 346.862 3.061 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001267207536 1377430237 /nfs/dbraw/zinc/43/02/37/1377430237.db2.gz GBQICOZBEYMUAM-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001267207536 1377430238 /nfs/dbraw/zinc/43/02/38/1377430238.db2.gz GBQICOZBEYMUAM-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Cl ZINC001268227605 1377498679 /nfs/dbraw/zinc/49/86/79/1377498679.db2.gz MTECZAJZULIRPN-RHSMWYFYSA-N 2 2 348.878 3.028 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001278272857 1378265691 /nfs/dbraw/zinc/26/56/91/1378265691.db2.gz FOBLXMABTBLQTK-GDBMZVCRSA-N 2 2 328.460 3.192 10 0 EGAELP C[C@@H]1CCC[C@@H](CC[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001328035610 1388650362 /nfs/dbraw/zinc/65/03/62/1388650362.db2.gz RRQHQAATOIXKBC-SJORKVTESA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316701592 1384529581 /nfs/dbraw/zinc/52/95/81/1384529581.db2.gz ABKGGHBWDHEYQZ-WBVHZDCISA-N 2 2 342.487 3.439 10 0 EGAELP C[C@H](F)CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001316775259 1384573901 /nfs/dbraw/zinc/57/39/01/1384573901.db2.gz ZJFNBZWMNWMJBE-HOTGVXAUSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2)n1cc[nH+]c1 ZINC001317000433 1384757539 /nfs/dbraw/zinc/75/75/39/1384757539.db2.gz GCYVCDZBIKSZFG-DLBZAZTESA-N 2 2 346.519 3.241 10 0 EGAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318558832 1385755975 /nfs/dbraw/zinc/75/59/75/1385755975.db2.gz RHXGGFKMJLCIOW-QZTJIDSGSA-N 2 2 342.487 3.136 10 0 EGAELP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001319142795 1385976147 /nfs/dbraw/zinc/97/61/47/1385976147.db2.gz SGKIYSGHHZPQKB-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001319142795 1385976149 /nfs/dbraw/zinc/97/61/49/1385976149.db2.gz SGKIYSGHHZPQKB-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001319142795 1385976151 /nfs/dbraw/zinc/97/61/51/1385976151.db2.gz SGKIYSGHHZPQKB-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001319142795 1385976155 /nfs/dbraw/zinc/97/61/55/1385976155.db2.gz SGKIYSGHHZPQKB-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319460866 1386131639 /nfs/dbraw/zinc/13/16/39/1386131639.db2.gz QYLPQKVBLRPCMI-XHPSBEMXSA-N 2 2 328.460 3.049 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC001319510893 1386152689 /nfs/dbraw/zinc/15/26/89/1386152689.db2.gz LGCBOLPXVIDUQB-QGZVFWFLSA-N 2 2 342.487 3.033 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC001319510891 1386152776 /nfs/dbraw/zinc/15/27/76/1386152776.db2.gz LGCBOLPXVIDUQB-KRWDZBQOSA-N 2 2 342.487 3.033 10 0 EGAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001319806662 1386305513 /nfs/dbraw/zinc/30/55/13/1386305513.db2.gz GMESXPXRUWKYLS-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001319806662 1386305518 /nfs/dbraw/zinc/30/55/18/1386305518.db2.gz GMESXPXRUWKYLS-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001319833054 1386324443 /nfs/dbraw/zinc/32/44/43/1386324443.db2.gz QAPRNECYFTZXAY-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001319851338 1386334672 /nfs/dbraw/zinc/33/46/72/1386334672.db2.gz AHZSNNJXECXGCU-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001320464414 1386616130 /nfs/dbraw/zinc/61/61/30/1386616130.db2.gz NZCZQWVMZMOLTA-MRXNPFEDSA-N 2 2 348.535 3.381 10 0 EGAELP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001320489054 1386624630 /nfs/dbraw/zinc/62/46/30/1386624630.db2.gz CVKGFONTRWPEJK-MRXNPFEDSA-N 2 2 342.487 3.403 10 0 EGAELP CC[C@H]([NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001321155403 1386824716 /nfs/dbraw/zinc/82/47/16/1386824716.db2.gz LPUZYVSMKGGHAU-DKFQHHCZSA-N 2 2 348.450 3.361 10 0 EGAELP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001698709073 1406350420 /nfs/dbraw/zinc/35/04/20/1406350420.db2.gz AGJRJNATMFUIJB-BPUTZDHNSA-N 2 2 328.460 3.240 10 0 EGAELP CCCCC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001698723435 1406371110 /nfs/dbraw/zinc/37/11/10/1406371110.db2.gz SVMCVWZRQOTVGC-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001331224650 1389660923 /nfs/dbraw/zinc/66/09/23/1389660923.db2.gz XJFKHZICRYBJSI-QFBILLFUSA-N 2 2 342.487 3.142 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001331487620 1389766884 /nfs/dbraw/zinc/76/68/84/1389766884.db2.gz HGTOZQFPLPEKHH-MRXNPFEDSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001331576522 1389809909 /nfs/dbraw/zinc/80/99/09/1389809909.db2.gz PRHPIALVIZNHTO-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001331576524 1389810412 /nfs/dbraw/zinc/81/04/12/1389810412.db2.gz PRHPIALVIZNHTO-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001332985354 1390230605 /nfs/dbraw/zinc/23/06/05/1390230605.db2.gz MHIHVWVMSQTQDI-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001332985354 1390230606 /nfs/dbraw/zinc/23/06/06/1390230606.db2.gz MHIHVWVMSQTQDI-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479265285 1392201659 /nfs/dbraw/zinc/20/16/59/1392201659.db2.gz MZYHXDDUMLUNQA-YJBOKZPZSA-N 2 2 349.906 3.030 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479265285 1392201664 /nfs/dbraw/zinc/20/16/64/1392201664.db2.gz MZYHXDDUMLUNQA-YJBOKZPZSA-N 2 2 349.906 3.030 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@@H+]1CC=C(C)C ZINC001479637512 1392300200 /nfs/dbraw/zinc/30/02/00/1392300200.db2.gz RRPLLVINPSKFEZ-OTWHNJEPSA-N 2 2 346.519 3.406 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@H+]1CC=C(C)C ZINC001479637512 1392300204 /nfs/dbraw/zinc/30/02/04/1392300204.db2.gz RRPLLVINPSKFEZ-OTWHNJEPSA-N 2 2 346.519 3.406 10 0 EGAELP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479688521 1392320071 /nfs/dbraw/zinc/32/00/71/1392320071.db2.gz JOYUDYWHFQVZGN-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001479694232 1392325579 /nfs/dbraw/zinc/32/55/79/1392325579.db2.gz NPYDZDFOSVPTJY-SJLPKXTDSA-N 2 2 348.535 3.304 10 0 EGAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001480226793 1392628215 /nfs/dbraw/zinc/62/82/15/1392628215.db2.gz XFFUBAJMYGKQGX-NXHRZFHOSA-N 2 2 332.492 3.041 10 0 EGAELP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CCOC(C)C)CC2)c(C)[nH+]1 ZINC001480407358 1392744502 /nfs/dbraw/zinc/74/45/02/1392744502.db2.gz WQMOURXCJVHCMZ-UHFFFAOYSA-N 2 2 347.503 3.062 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480654660 1392838454 /nfs/dbraw/zinc/83/84/54/1392838454.db2.gz XBDOSCNWTFJGNS-CQSZACIVSA-N 2 2 328.460 3.051 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922279 1393021706 /nfs/dbraw/zinc/02/17/06/1393021706.db2.gz GHGTWOVSMQAQJJ-DLBZAZTESA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922279 1393021710 /nfs/dbraw/zinc/02/17/10/1393021710.db2.gz GHGTWOVSMQAQJJ-DLBZAZTESA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922279 1393021711 /nfs/dbraw/zinc/02/17/11/1393021711.db2.gz GHGTWOVSMQAQJJ-DLBZAZTESA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922279 1393021713 /nfs/dbraw/zinc/02/17/13/1393021713.db2.gz GHGTWOVSMQAQJJ-DLBZAZTESA-N 2 2 342.487 3.014 10 0 EGAELP CC/C=C/CC[N@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480975486 1393060965 /nfs/dbraw/zinc/06/09/65/1393060965.db2.gz VFOLNPOHRNMNTD-VOTSOKGWSA-N 2 2 328.460 3.051 10 0 EGAELP CC/C=C/CC[N@@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480975486 1393060968 /nfs/dbraw/zinc/06/09/68/1393060968.db2.gz VFOLNPOHRNMNTD-VOTSOKGWSA-N 2 2 328.460 3.051 10 0 EGAELP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481335913 1393166298 /nfs/dbraw/zinc/16/62/98/1393166298.db2.gz SOBMQIMAAVHBRO-SJLPKXTDSA-N 2 2 334.508 3.097 10 0 EGAELP CC1CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001698925030 1406660522 /nfs/dbraw/zinc/66/05/22/1406660522.db2.gz FTZWQTSWASOPIQ-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001698932524 1406670411 /nfs/dbraw/zinc/67/04/11/1406670411.db2.gz CJEPQAWNHPVECA-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001481371814 1394213127 /nfs/dbraw/zinc/21/31/27/1394213127.db2.gz YWPQHHWUSZTELQ-GOSISDBHSA-N 2 2 342.487 3.226 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481411854 1394271639 /nfs/dbraw/zinc/27/16/39/1394271639.db2.gz KRVSLAWEACRRLF-SFHVURJKSA-N 2 2 348.535 3.412 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481411854 1394271646 /nfs/dbraw/zinc/27/16/46/1394271646.db2.gz KRVSLAWEACRRLF-SFHVURJKSA-N 2 2 348.535 3.412 10 0 EGAELP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001491180033 1394460392 /nfs/dbraw/zinc/46/03/92/1394460392.db2.gz OMWDINSBCIFUGM-QGZVFWFLSA-N 2 2 346.519 3.096 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001481961890 1394623102 /nfs/dbraw/zinc/62/31/02/1394623102.db2.gz OKFYSSFJDZUGCM-YLJYHZDGSA-N 2 2 348.535 3.054 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482016552 1394674107 /nfs/dbraw/zinc/67/41/07/1394674107.db2.gz HVTUXDPKAWQOFT-DUQPFJRNSA-N 2 2 346.519 3.212 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482016552 1394674110 /nfs/dbraw/zinc/67/41/10/1394674110.db2.gz HVTUXDPKAWQOFT-DUQPFJRNSA-N 2 2 346.519 3.212 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1)n1cc[nH+]c1 ZINC001482338959 1394906769 /nfs/dbraw/zinc/90/67/69/1394906769.db2.gz QZUICADRHHQMSO-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001482463913 1395020630 /nfs/dbraw/zinc/02/06/30/1395020630.db2.gz XIGMECYXAGHASJ-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001482463913 1395020633 /nfs/dbraw/zinc/02/06/33/1395020633.db2.gz XIGMECYXAGHASJ-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001484121381 1395264144 /nfs/dbraw/zinc/26/41/44/1395264144.db2.gz ARHHWPZGDSWRGA-FQEVSTJZSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001486097472 1396177182 /nfs/dbraw/zinc/17/71/82/1396177182.db2.gz WNWZFWMVFZIHLI-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H]1CCc2ccccc21 ZINC001503352377 1396252063 /nfs/dbraw/zinc/25/20/63/1396252063.db2.gz FDJVGAIOSJJIHA-YJBOKZPZSA-N 2 2 348.450 3.120 10 0 EGAELP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491966480 1396301711 /nfs/dbraw/zinc/30/17/11/1396301711.db2.gz FEXDTROPGCAINN-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491966480 1396301712 /nfs/dbraw/zinc/30/17/12/1396301712.db2.gz FEXDTROPGCAINN-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001492171503 1396311873 /nfs/dbraw/zinc/31/18/73/1396311873.db2.gz OJDVYUFDRDSDIH-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001492171503 1396311874 /nfs/dbraw/zinc/31/18/74/1396311874.db2.gz OJDVYUFDRDSDIH-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001495168557 1396521897 /nfs/dbraw/zinc/52/18/97/1396521897.db2.gz NCHNJTNQKLCTPP-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001496182094 1396621312 /nfs/dbraw/zinc/62/13/12/1396621312.db2.gz CQAWBQVEKLVIMC-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001496182094 1396621325 /nfs/dbraw/zinc/62/13/25/1396621325.db2.gz CQAWBQVEKLVIMC-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001689050216 1396844344 /nfs/dbraw/zinc/84/43/44/1396844344.db2.gz WFFTVFSMFMQUJW-VQIMIIECSA-N 2 2 340.471 3.113 10 0 EGAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001689057991 1396858939 /nfs/dbraw/zinc/85/89/39/1396858939.db2.gz BTFSLKHSJPVCDY-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC(C)(C)C ZINC001690851791 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C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612382 1426272992 /nfs/dbraw/zinc/27/29/92/1426272992.db2.gz VYMFCFCNDKVVOR-MDYRTPRTSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612382 1426272996 /nfs/dbraw/zinc/27/29/96/1426272996.db2.gz VYMFCFCNDKVVOR-MDYRTPRTSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612382 1426272998 /nfs/dbraw/zinc/27/29/98/1426272998.db2.gz VYMFCFCNDKVVOR-MDYRTPRTSA-N 2 2 346.519 3.138 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCOC(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001725746277 1426424041 /nfs/dbraw/zinc/42/40/41/1426424041.db2.gz SRQVWLWAOYMBEW-KRWDZBQOSA-N 2 2 349.519 3.166 10 0 EGAELP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725774072 1426457731 /nfs/dbraw/zinc/45/77/31/1426457731.db2.gz CECIVUYIARUIEC-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709797 1427765898 /nfs/dbraw/zinc/76/58/98/1427765898.db2.gz FIJQYUMVWXLEEM-CHYADLBTSA-N 2 2 340.471 3.227 10 0 EGAELP CC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709797 1427765902 /nfs/dbraw/zinc/76/59/02/1427765902.db2.gz FIJQYUMVWXLEEM-CHYADLBTSA-N 2 2 340.471 3.227 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854761 1428087280 /nfs/dbraw/zinc/08/72/80/1428087280.db2.gz KHMPUDSPUIZJHP-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854761 1428087283 /nfs/dbraw/zinc/08/72/83/1428087283.db2.gz KHMPUDSPUIZJHP-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001733685072 1429900793 /nfs/dbraw/zinc/90/07/93/1429900793.db2.gz UELXCHUFXAWCEJ-DLBZAZTESA-N 2 2 342.487 3.457 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001733760312 1429974815 /nfs/dbraw/zinc/97/48/15/1429974815.db2.gz JWERRSZPFBBWHD-SFHVURJKSA-N 2 2 347.503 3.184 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001733760312 1429974820 /nfs/dbraw/zinc/97/48/20/1429974820.db2.gz JWERRSZPFBBWHD-SFHVURJKSA-N 2 2 347.503 3.184 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938453 1437754283 /nfs/dbraw/zinc/75/42/83/1437754283.db2.gz WNBFFVGZSRWBIQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938453 1437754285 /nfs/dbraw/zinc/75/42/85/1437754285.db2.gz WNBFFVGZSRWBIQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938453 1437754287 /nfs/dbraw/zinc/75/42/87/1437754287.db2.gz WNBFFVGZSRWBIQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938453 1437754288 /nfs/dbraw/zinc/75/42/88/1437754288.db2.gz WNBFFVGZSRWBIQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC(C)(C)C ZINC001734336136 1438058093 /nfs/dbraw/zinc/05/80/93/1438058093.db2.gz WIXFYPCNDJCYTB-MRXNPFEDSA-N 2 2 342.487 3.359 10 0 EGAELP Cc1cccc([C@H](C)[N@@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001734553980 1438152695 /nfs/dbraw/zinc/15/26/95/1438152695.db2.gz ZLKNGCPIXPMHEW-SFHVURJKSA-N 2 2 342.487 3.122 10 0 EGAELP Cc1cccc([C@H](C)[N@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001734553980 1438152696 /nfs/dbraw/zinc/15/26/96/1438152696.db2.gz ZLKNGCPIXPMHEW-SFHVURJKSA-N 2 2 342.487 3.122 10 0 EGAELP C[N@H+](CCC1CCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001750933382 1440113996 /nfs/dbraw/zinc/11/39/96/1440113996.db2.gz PFUQAERDUPKBAZ-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001750933382 1440113997 /nfs/dbraw/zinc/11/39/97/1440113997.db2.gz PFUQAERDUPKBAZ-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP C[N@H+](CCC1CCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001750933382 1440113998 /nfs/dbraw/zinc/11/39/98/1440113998.db2.gz PFUQAERDUPKBAZ-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001750933382 1440113999 /nfs/dbraw/zinc/11/39/99/1440113999.db2.gz PFUQAERDUPKBAZ-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000174765987 231304414 /nfs/dbraw/zinc/30/44/14/231304414.db2.gz RDOKURGXQNPMOB-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000174765987 231304418 /nfs/dbraw/zinc/30/44/18/231304418.db2.gz RDOKURGXQNPMOB-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000171613814 529760876 /nfs/dbraw/zinc/76/08/76/529760876.db2.gz YZWGSJUUPONQFC-QGZVFWFLSA-N 2 2 345.418 3.288 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000171613814 529760877 /nfs/dbraw/zinc/76/08/77/529760877.db2.gz YZWGSJUUPONQFC-QGZVFWFLSA-N 2 2 345.418 3.288 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)nc1 ZINC000178281333 232123765 /nfs/dbraw/zinc/12/37/65/232123765.db2.gz DHGBPVZMPUPEEF-GOSISDBHSA-N 2 2 329.488 3.127 10 0 EGAELP c1ccc2c(NCC[NH+]3CCOCC3)cc(-c3cccnc3)[nH+]c2c1 ZINC000253495238 244004734 /nfs/dbraw/zinc/00/47/34/244004734.db2.gz OYACCGKOQPHEJN-UHFFFAOYSA-N 2 2 334.423 3.041 10 0 EGAELP CC[N@@H+](Cc1cn2cccnc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266643723 248395017 /nfs/dbraw/zinc/39/50/17/248395017.db2.gz VGOBSSGZSRITIM-IBGZPJMESA-N 2 2 349.482 3.073 10 0 EGAELP CC[N@H+](Cc1cn2cccnc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266643723 248395019 /nfs/dbraw/zinc/39/50/19/248395019.db2.gz VGOBSSGZSRITIM-IBGZPJMESA-N 2 2 349.482 3.073 10 0 EGAELP CC[NH+](Cc1cn2cccnc2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266643723 248395021 /nfs/dbraw/zinc/39/50/21/248395021.db2.gz VGOBSSGZSRITIM-IBGZPJMESA-N 2 2 349.482 3.073 10 0 EGAELP CC[NH+](Cc1cn2cccnc2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266643723 248395022 /nfs/dbraw/zinc/39/50/22/248395022.db2.gz VGOBSSGZSRITIM-IBGZPJMESA-N 2 2 349.482 3.073 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000377683084 169058984 /nfs/dbraw/zinc/05/89/84/169058984.db2.gz STOLLAJPDFQNRJ-SFHVURJKSA-N 2 2 348.393 3.245 10 0 EGAELP COc1sc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000093644018 218237894 /nfs/dbraw/zinc/23/78/94/218237894.db2.gz MVGVNAGURPADMF-QWRGUYRKSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000093644018 218237897 /nfs/dbraw/zinc/23/78/97/218237897.db2.gz MVGVNAGURPADMF-QWRGUYRKSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000093644018 218237898 /nfs/dbraw/zinc/23/78/98/218237898.db2.gz MVGVNAGURPADMF-QWRGUYRKSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000093644018 218237900 /nfs/dbraw/zinc/23/79/00/218237900.db2.gz MVGVNAGURPADMF-QWRGUYRKSA-N 2 2 347.322 3.434 10 0 EGAELP c1ccc(N2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)[nH+]c1 ZINC000095420995 218361327 /nfs/dbraw/zinc/36/13/27/218361327.db2.gz YVJLTUMUEUXOKA-UHFFFAOYSA-N 2 2 335.455 3.149 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000154508456 224263181 /nfs/dbraw/zinc/26/31/81/224263181.db2.gz WCMLVBWIQIYUJY-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Br ZINC000154508456 224263182 /nfs/dbraw/zinc/26/31/82/224263182.db2.gz WCMLVBWIQIYUJY-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP C[N@H+](CCc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328641198 258024103 /nfs/dbraw/zinc/02/41/03/258024103.db2.gz QLKFLAVCLPGYRX-ICSRJNTNSA-N 2 2 327.447 3.388 10 0 EGAELP C[N@@H+](CCc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328641198 258024105 /nfs/dbraw/zinc/02/41/05/258024105.db2.gz QLKFLAVCLPGYRX-ICSRJNTNSA-N 2 2 327.447 3.388 10 0 EGAELP C[NH+](CCc1ccccc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328641198 258024107 /nfs/dbraw/zinc/02/41/07/258024107.db2.gz QLKFLAVCLPGYRX-ICSRJNTNSA-N 2 2 327.447 3.388 10 0 EGAELP C[NH+](CCc1ccccc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328641198 258024108 /nfs/dbraw/zinc/02/41/08/258024108.db2.gz QLKFLAVCLPGYRX-ICSRJNTNSA-N 2 2 327.447 3.388 10 0 EGAELP C[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328624848 258033762 /nfs/dbraw/zinc/03/37/62/258033762.db2.gz CRAYXTFCIMUHIN-YOEHRIQHSA-N 2 2 344.484 3.151 10 0 EGAELP C[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328624848 258033764 /nfs/dbraw/zinc/03/37/64/258033764.db2.gz CRAYXTFCIMUHIN-YOEHRIQHSA-N 2 2 344.484 3.151 10 0 EGAELP C[NH+](Cc1cc(C(N)=O)cs1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328624848 258033766 /nfs/dbraw/zinc/03/37/66/258033766.db2.gz CRAYXTFCIMUHIN-YOEHRIQHSA-N 2 2 344.484 3.151 10 0 EGAELP C[NH+](Cc1cc(C(N)=O)cs1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328624848 258033768 /nfs/dbraw/zinc/03/37/68/258033768.db2.gz CRAYXTFCIMUHIN-YOEHRIQHSA-N 2 2 344.484 3.151 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CCN(c3cc(C)[nH+]c(C)c3C#N)C1)CCCC2 ZINC000299740139 258009664 /nfs/dbraw/zinc/00/96/64/258009664.db2.gz WEYRXQWJNBUNBF-MRXNPFEDSA-N 2 2 335.455 3.405 10 0 EGAELP c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246901072 141042295 /nfs/dbraw/zinc/04/22/95/141042295.db2.gz RLHHKJYJCSDTRV-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246901072 141042296 /nfs/dbraw/zinc/04/22/96/141042296.db2.gz RLHHKJYJCSDTRV-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246901072 141042297 /nfs/dbraw/zinc/04/22/97/141042297.db2.gz RLHHKJYJCSDTRV-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246901072 141042298 /nfs/dbraw/zinc/04/22/98/141042298.db2.gz RLHHKJYJCSDTRV-WMZOPIPTSA-N 2 2 338.455 3.185 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000338011446 141073149 /nfs/dbraw/zinc/07/31/49/141073149.db2.gz KENNMGBPERFLNZ-SFHVURJKSA-N 2 2 343.862 3.348 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583863 144023412 /nfs/dbraw/zinc/02/34/12/144023412.db2.gz CXGHCEFGJYPJAN-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583863 144023413 /nfs/dbraw/zinc/02/34/13/144023413.db2.gz CXGHCEFGJYPJAN-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583863 144023414 /nfs/dbraw/zinc/02/34/14/144023414.db2.gz CXGHCEFGJYPJAN-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583863 144023415 /nfs/dbraw/zinc/02/34/15/144023415.db2.gz CXGHCEFGJYPJAN-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP C[NH+]1CCC(CNC(=O)CCC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000172750393 144027274 /nfs/dbraw/zinc/02/72/74/144027274.db2.gz HVMINFMONBOIKS-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000121369541 152345690 /nfs/dbraw/zinc/34/56/90/152345690.db2.gz PVDFNMWZQDPOKN-CQSZACIVSA-N 2 2 325.412 3.130 10 0 EGAELP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1O ZINC000194061851 153320538 /nfs/dbraw/zinc/32/05/38/153320538.db2.gz UDIVQJQYMBXBOQ-UHFFFAOYSA-N 2 2 344.430 3.294 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C[NH+]1CCOCC1 ZINC000341703321 286877813 /nfs/dbraw/zinc/87/78/13/286877813.db2.gz YUIFXNFPKGFIQI-WMLDXEAASA-N 2 2 338.879 3.112 10 0 EGAELP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112073706 162162619 /nfs/dbraw/zinc/16/26/19/162162619.db2.gz KVUOGWAMRQQFJB-KRWDZBQOSA-N 2 2 325.460 3.379 10 0 EGAELP Brc1ccc(C[C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000130754096 162377960 /nfs/dbraw/zinc/37/79/60/162377960.db2.gz FMPTXNPBFWVTSO-MRXNPFEDSA-N 2 2 334.261 3.353 10 0 EGAELP Brc1ccc(C[C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000130754096 162377963 /nfs/dbraw/zinc/37/79/63/162377963.db2.gz FMPTXNPBFWVTSO-MRXNPFEDSA-N 2 2 334.261 3.353 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248463673 163007872 /nfs/dbraw/zinc/00/78/72/163007872.db2.gz YZVXLTMBEINSAZ-GJZGRUSLSA-N 2 2 339.277 3.174 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248463673 163007874 /nfs/dbraw/zinc/00/78/74/163007874.db2.gz YZVXLTMBEINSAZ-GJZGRUSLSA-N 2 2 339.277 3.174 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000248588731 163017208 /nfs/dbraw/zinc/01/72/08/163017208.db2.gz YRHQDLPQMUYPLR-KSSFIOAISA-N 2 2 340.870 3.320 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000248588731 163017209 /nfs/dbraw/zinc/01/72/09/163017209.db2.gz YRHQDLPQMUYPLR-KSSFIOAISA-N 2 2 340.870 3.320 10 0 EGAELP Cc1ccncc1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354349913 166007127 /nfs/dbraw/zinc/00/71/27/166007127.db2.gz WHYKIPSPVWQGAS-UHFFFAOYSA-N 2 2 331.504 3.293 10 0 EGAELP Cc1ccncc1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354349913 166007130 /nfs/dbraw/zinc/00/71/30/166007130.db2.gz WHYKIPSPVWQGAS-UHFFFAOYSA-N 2 2 331.504 3.293 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@]1(C)CCCO1 ZINC000340377284 287010162 /nfs/dbraw/zinc/01/01/62/287010162.db2.gz JBQYEYCMENQBLV-TWRYWWQQSA-N 2 2 334.426 3.339 10 0 EGAELP C[C@@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)Cn1cc[nH+]c1 ZINC000343814160 164040982 /nfs/dbraw/zinc/04/09/82/164040982.db2.gz SPUGIHBLCVCKOW-ZDUSSCGKSA-N 2 2 327.350 3.250 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)c2)c[nH+]1 ZINC000344317406 164154338 /nfs/dbraw/zinc/15/43/38/164154338.db2.gz ADPPGVVEOFPFHY-AWEZNQCLSA-N 2 2 349.525 3.468 10 0 EGAELP Cc1[nH+]ccc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1Cl ZINC000350313381 165030269 /nfs/dbraw/zinc/03/02/69/165030269.db2.gz ZRLUXBVKBQYSOX-BETUJISGSA-N 2 2 346.862 3.086 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c[nH+]1 ZINC000351327469 165096186 /nfs/dbraw/zinc/09/61/86/165096186.db2.gz LVAUWEKAJNJVMN-UHFFFAOYSA-N 2 2 343.515 3.484 10 0 EGAELP CCCCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000355360013 166174187 /nfs/dbraw/zinc/17/41/87/166174187.db2.gz AYTDFKYWGJDHKX-UHFFFAOYSA-N 2 2 340.471 3.286 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000355646233 166271232 /nfs/dbraw/zinc/27/12/32/166271232.db2.gz FKRQJOQBZHDPSL-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000355652681 166273210 /nfs/dbraw/zinc/27/32/10/166273210.db2.gz PLHFTXLZDRFUMQ-UHFFFAOYSA-N 2 2 346.500 3.067 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000355656315 166274909 /nfs/dbraw/zinc/27/49/09/166274909.db2.gz VDSOMCYSVOJJBQ-UHFFFAOYSA-N 2 2 341.455 3.200 10 0 EGAELP Cc1ccc2c(C)cc(N3CCN(c4cc[nH+]c(C)n4)CC3)[nH+]c2c1 ZINC000359237008 167103218 /nfs/dbraw/zinc/10/32/18/167103218.db2.gz XCJBZSLPRJLGAD-UHFFFAOYSA-N 2 2 333.439 3.277 10 0 EGAELP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000365138854 168027400 /nfs/dbraw/zinc/02/74/00/168027400.db2.gz PWWAXCGKHTUOAV-GOSISDBHSA-N 2 2 335.455 3.297 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648002 227196883 /nfs/dbraw/zinc/19/68/83/227196883.db2.gz DMSJTPDSJPXVBX-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648002 227196892 /nfs/dbraw/zinc/19/68/92/227196892.db2.gz DMSJTPDSJPXVBX-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP c1ccc(NC[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)[nH+]c1 ZINC000193244006 266018825 /nfs/dbraw/zinc/01/88/25/266018825.db2.gz UQRAZJJBDGBHJP-GOSISDBHSA-N 2 2 337.467 3.383 10 0 EGAELP c1ccc(NC[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)[nH+]c1 ZINC000193244006 266018828 /nfs/dbraw/zinc/01/88/28/266018828.db2.gz UQRAZJJBDGBHJP-GOSISDBHSA-N 2 2 337.467 3.383 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000195258095 266169663 /nfs/dbraw/zinc/16/96/63/266169663.db2.gz OYOKLRLHXAMYLC-OAHLLOKOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000195258095 266169668 /nfs/dbraw/zinc/16/96/68/266169668.db2.gz OYOKLRLHXAMYLC-OAHLLOKOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000195258095 266169670 /nfs/dbraw/zinc/16/96/70/266169670.db2.gz OYOKLRLHXAMYLC-OAHLLOKOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000195258095 266169673 /nfs/dbraw/zinc/16/96/73/266169673.db2.gz OYOKLRLHXAMYLC-OAHLLOKOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)cc[nH+]1 ZINC000273722838 267091507 /nfs/dbraw/zinc/09/15/07/267091507.db2.gz INUXDOYVEAASAG-UHFFFAOYSA-N 2 2 345.450 3.169 10 0 EGAELP CC[NH+]1CCC([N@H+](CC(=O)Nc2ccccc2Cl)C2CC2)CC1 ZINC000095446700 276149447 /nfs/dbraw/zinc/14/94/47/276149447.db2.gz APUADAASXZGMMG-UHFFFAOYSA-N 2 2 335.879 3.227 10 0 EGAELP CC[NH+]1CCC([N@@H+](CC(=O)Nc2ccccc2Cl)C2CC2)CC1 ZINC000095446700 276149448 /nfs/dbraw/zinc/14/94/48/276149448.db2.gz APUADAASXZGMMG-UHFFFAOYSA-N 2 2 335.879 3.227 10 0 EGAELP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000354886745 289349122 /nfs/dbraw/zinc/34/91/22/289349122.db2.gz PNGVNNLHWJSROD-IBGZPJMESA-N 2 2 343.515 3.084 10 0 EGAELP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000354886745 289349123 /nfs/dbraw/zinc/34/91/23/289349123.db2.gz PNGVNNLHWJSROD-IBGZPJMESA-N 2 2 343.515 3.084 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000294901738 308269681 /nfs/dbraw/zinc/26/96/81/308269681.db2.gz ZHNZEDZHQUGNHE-UHFFFAOYSA-N 2 2 340.471 3.007 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000414733458 309097977 /nfs/dbraw/zinc/09/79/77/309097977.db2.gz BBGIOKITKGTBKD-YJBOKZPZSA-N 2 2 349.906 3.461 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832252 309104495 /nfs/dbraw/zinc/10/44/95/309104495.db2.gz OGEJVKUWFBTZCM-OAQYLSRUSA-N 2 2 334.467 3.338 10 0 EGAELP COc1cccc2c(NC[C@H](c3cnn(C)c3)[NH+](C)C)c(C)c[nH+]c12 ZINC000302642730 308740992 /nfs/dbraw/zinc/74/09/92/308740992.db2.gz LQFUBOLDNJPGIS-MRXNPFEDSA-N 2 2 339.443 3.000 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000415063222 309117691 /nfs/dbraw/zinc/11/76/91/309117691.db2.gz HFRIFJWIWYXFIX-BEFAXECRSA-N 2 2 342.483 3.487 10 0 EGAELP CCn1nncc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000417931898 309228823 /nfs/dbraw/zinc/22/88/23/309228823.db2.gz VYFGRVIXOGLAHB-INIZCTEOSA-N 2 2 327.476 3.051 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420351250 309283614 /nfs/dbraw/zinc/28/36/14/309283614.db2.gz WILFGGGOGXDCER-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420351250 309283615 /nfs/dbraw/zinc/28/36/15/309283615.db2.gz WILFGGGOGXDCER-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP CC[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422715279 309364354 /nfs/dbraw/zinc/36/43/54/309364354.db2.gz RYDFKUQIQAYBKC-PMACEKPBSA-N 2 2 332.488 3.002 10 0 EGAELP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000422725210 309365027 /nfs/dbraw/zinc/36/50/27/309365027.db2.gz AVWJSJQURIOCBU-DLBZAZTESA-N 2 2 340.870 3.113 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422729811 309365571 /nfs/dbraw/zinc/36/55/71/309365571.db2.gz COUHOEUOCWYNPS-HBMCJLEFSA-N 2 2 340.467 3.466 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422735903 309365879 /nfs/dbraw/zinc/36/58/79/309365879.db2.gz FNNAZHHMVBXOKT-ABSDTBQOSA-N 3 2 338.499 3.335 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422735903 309365880 /nfs/dbraw/zinc/36/58/80/309365880.db2.gz FNNAZHHMVBXOKT-ABSDTBQOSA-N 3 2 338.499 3.335 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000422735907 309365888 /nfs/dbraw/zinc/36/58/88/309365888.db2.gz FNNAZHHMVBXOKT-QKLQHJQFSA-N 3 2 338.499 3.335 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000422735907 309365889 /nfs/dbraw/zinc/36/58/89/309365889.db2.gz FNNAZHHMVBXOKT-QKLQHJQFSA-N 3 2 338.499 3.335 10 0 EGAELP c1sc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1C1CCCCC1 ZINC000422909372 309375627 /nfs/dbraw/zinc/37/56/27/309375627.db2.gz FSOBSROEQMNGDA-MJGOQNOKSA-N 2 2 349.544 3.090 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOC2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422947161 309377465 /nfs/dbraw/zinc/37/74/65/309377465.db2.gz PXVCFNPHLPTWFD-VQTJNVASSA-N 2 2 332.488 3.427 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000422953283 309377916 /nfs/dbraw/zinc/37/79/16/309377916.db2.gz DVDGXZAZSDXPFI-JRPNMDOOSA-N 2 2 329.271 3.337 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422970485 309378851 /nfs/dbraw/zinc/37/88/51/309378851.db2.gz GIYDEYFKQKCBCA-AZUAARDMSA-N 2 2 326.440 3.026 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075913 309384587 /nfs/dbraw/zinc/38/45/87/309384587.db2.gz XXWALXWBLTZDRO-SUNKGSAMSA-N 2 2 327.266 3.249 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423105785 309386027 /nfs/dbraw/zinc/38/60/27/309386027.db2.gz CKZXTPYXYAWSIT-DDTOSNHZSA-N 2 2 325.250 3.003 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000423185340 309389572 /nfs/dbraw/zinc/38/95/72/309389572.db2.gz VGEJOEYIEMZNJX-ACDBMABISA-N 3 2 327.516 3.433 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000423185340 309389573 /nfs/dbraw/zinc/38/95/73/309389573.db2.gz VGEJOEYIEMZNJX-ACDBMABISA-N 3 2 327.516 3.433 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423230655 309391321 /nfs/dbraw/zinc/39/13/21/309391321.db2.gz DYRFMCANKPCYRW-TZMCWYRMSA-N 2 2 325.250 3.004 10 0 EGAELP Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230401 309391441 /nfs/dbraw/zinc/39/14/41/309391441.db2.gz JELJVPFBGBFPOZ-SFHVURJKSA-N 2 2 326.419 3.120 10 0 EGAELP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000447527081 309980857 /nfs/dbraw/zinc/98/08/57/309980857.db2.gz DCVDLSZBXVTNIZ-AWEZNQCLSA-N 2 2 339.395 3.162 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449398451 310058785 /nfs/dbraw/zinc/05/87/85/310058785.db2.gz UZUWIYLQPNZFIW-HIFRSBDPSA-N 2 2 326.481 3.045 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000449398451 310058786 /nfs/dbraw/zinc/05/87/86/310058786.db2.gz UZUWIYLQPNZFIW-HIFRSBDPSA-N 2 2 326.481 3.045 10 0 EGAELP CCC[C@H](CC(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450241538 310110523 /nfs/dbraw/zinc/11/05/23/310110523.db2.gz GTVMMSRURPFARJ-WRURNZQNSA-N 2 2 349.563 3.218 10 0 EGAELP CCC[C@H](CC(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450241538 310110524 /nfs/dbraw/zinc/11/05/24/310110524.db2.gz GTVMMSRURPFARJ-WRURNZQNSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450493324 310126075 /nfs/dbraw/zinc/12/60/75/310126075.db2.gz BKMZLOUQAPODKL-QGZVFWFLSA-N 2 2 345.535 3.165 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450493324 310126076 /nfs/dbraw/zinc/12/60/76/310126076.db2.gz BKMZLOUQAPODKL-QGZVFWFLSA-N 2 2 345.535 3.165 10 0 EGAELP C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450649112 310134871 /nfs/dbraw/zinc/13/48/71/310134871.db2.gz QAQSPBKGSZPQRQ-OXKNWPCVSA-N 2 2 327.516 3.048 10 0 EGAELP C[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450649112 310134872 /nfs/dbraw/zinc/13/48/72/310134872.db2.gz QAQSPBKGSZPQRQ-OXKNWPCVSA-N 2 2 327.516 3.048 10 0 EGAELP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453051856 310254534 /nfs/dbraw/zinc/25/45/34/310254534.db2.gz BQNVAHXEXHXCFW-HKUYNNGSSA-N 2 2 334.504 3.243 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ncc(-c2ccccc2)n1C ZINC000453061969 310255304 /nfs/dbraw/zinc/25/53/04/310255304.db2.gz OHVOFVIEVZQMTO-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453197813 310263654 /nfs/dbraw/zinc/26/36/54/310263654.db2.gz GRRNZMNMSMSPCP-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453197813 310263655 /nfs/dbraw/zinc/26/36/55/310263655.db2.gz GRRNZMNMSMSPCP-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258593 310267482 /nfs/dbraw/zinc/26/74/82/310267482.db2.gz HWZVFBPDRXIRTN-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258593 310267483 /nfs/dbraw/zinc/26/74/83/310267483.db2.gz HWZVFBPDRXIRTN-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661577 310566944 /nfs/dbraw/zinc/56/69/44/310566944.db2.gz MNJTXWYVIAZVMD-LLVKDONJSA-N 2 2 328.243 3.327 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459782545 310575025 /nfs/dbraw/zinc/57/50/25/310575025.db2.gz ZHKGBHLFXVGNDK-SJORKVTESA-N 2 2 326.488 3.166 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCCCCC1 ZINC000491058157 311162474 /nfs/dbraw/zinc/16/24/74/311162474.db2.gz NUIZVOQHIHEXIP-LJQANCHMSA-N 2 2 349.563 3.413 10 0 EGAELP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCCCCC1 ZINC000491058157 311162476 /nfs/dbraw/zinc/16/24/76/311162476.db2.gz NUIZVOQHIHEXIP-LJQANCHMSA-N 2 2 349.563 3.413 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060391 311162691 /nfs/dbraw/zinc/16/26/91/311162691.db2.gz WVLCIWRSYWEAKQ-VQTJNVASSA-N 2 2 349.563 3.366 10 0 EGAELP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060391 311162692 /nfs/dbraw/zinc/16/26/92/311162692.db2.gz WVLCIWRSYWEAKQ-VQTJNVASSA-N 2 2 349.563 3.366 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000515056994 312263270 /nfs/dbraw/zinc/26/32/70/312263270.db2.gz SUAWKDKQWLHYRR-GOSISDBHSA-N 2 2 343.446 3.455 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])on1 ZINC000517356193 312375998 /nfs/dbraw/zinc/37/59/98/312375998.db2.gz HISSGYGWWFRITO-SJORKVTESA-N 2 2 337.423 3.473 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1OC ZINC000529532804 313346456 /nfs/dbraw/zinc/34/64/56/313346456.db2.gz YMHICDYATDDRJX-HNNXBMFYSA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1OC ZINC000529532804 313346461 /nfs/dbraw/zinc/34/64/61/313346461.db2.gz YMHICDYATDDRJX-HNNXBMFYSA-N 2 2 336.451 3.151 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213612 313498023 /nfs/dbraw/zinc/49/80/23/313498023.db2.gz AVVVMGXLKHLLHZ-KBPBESRZSA-N 2 2 339.252 3.450 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@@H](C)C1 ZINC000537617068 314196772 /nfs/dbraw/zinc/19/67/72/314196772.db2.gz XQVFRUQAKFDSLI-HNAYVOBHSA-N 2 2 327.472 3.406 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@@H](C)C1 ZINC000537617068 314196774 /nfs/dbraw/zinc/19/67/74/314196774.db2.gz XQVFRUQAKFDSLI-HNAYVOBHSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3nc2OC)[C@@H](C)C1 ZINC000537617068 314196777 /nfs/dbraw/zinc/19/67/77/314196777.db2.gz XQVFRUQAKFDSLI-HNAYVOBHSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3nc2OC)[C@@H](C)C1 ZINC000537617068 314196780 /nfs/dbraw/zinc/19/67/80/314196780.db2.gz XQVFRUQAKFDSLI-HNAYVOBHSA-N 2 2 327.472 3.406 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150312 314365522 /nfs/dbraw/zinc/36/55/22/314365522.db2.gz IFVYNPGGULPSKQ-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150312 314365525 /nfs/dbraw/zinc/36/55/25/314365525.db2.gz IFVYNPGGULPSKQ-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424888 315008335 /nfs/dbraw/zinc/00/83/35/315008335.db2.gz FGDSFCDOMOAYOM-IIDMSEBBSA-N 2 2 349.906 3.076 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000563777512 316067265 /nfs/dbraw/zinc/06/72/65/316067265.db2.gz VFMXABTWVJKNNX-IUODEOHRSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000563777512 316067266 /nfs/dbraw/zinc/06/72/66/316067266.db2.gz VFMXABTWVJKNNX-IUODEOHRSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000563777512 316067269 /nfs/dbraw/zinc/06/72/69/316067269.db2.gz VFMXABTWVJKNNX-IUODEOHRSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000563777512 316067271 /nfs/dbraw/zinc/06/72/71/316067271.db2.gz VFMXABTWVJKNNX-IUODEOHRSA-N 2 2 341.293 3.230 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)n1C ZINC000564226592 316125842 /nfs/dbraw/zinc/12/58/42/316125842.db2.gz CKXHMDNFPDPORU-AWEZNQCLSA-N 2 2 336.233 3.104 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564961040 316237990 /nfs/dbraw/zinc/23/79/90/316237990.db2.gz LAOOZQCWLOVBRR-KRWDZBQOSA-N 2 2 339.487 3.215 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564961040 316237994 /nfs/dbraw/zinc/23/79/94/316237994.db2.gz LAOOZQCWLOVBRR-KRWDZBQOSA-N 2 2 339.487 3.215 10 0 EGAELP CN1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565103414 316265539 /nfs/dbraw/zinc/26/55/39/316265539.db2.gz FAKAECRFRXKMOQ-QZTJIDSGSA-N 2 2 339.886 3.300 10 0 EGAELP c1ccc(CCOCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641929 323245243 /nfs/dbraw/zinc/24/52/43/323245243.db2.gz BSXQAMAAPIQZHB-FQEVSTJZSA-N 2 2 339.483 3.465 10 0 EGAELP c1ccc(CCOCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641929 323245247 /nfs/dbraw/zinc/24/52/47/323245247.db2.gz BSXQAMAAPIQZHB-FQEVSTJZSA-N 2 2 339.483 3.465 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980318 324277950 /nfs/dbraw/zinc/27/79/50/324277950.db2.gz MZCAINJNCCGMFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980318 324277953 /nfs/dbraw/zinc/27/79/53/324277953.db2.gz MZCAINJNCCGMFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980318 324277957 /nfs/dbraw/zinc/27/79/57/324277957.db2.gz MZCAINJNCCGMFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980318 324277962 /nfs/dbraw/zinc/27/79/62/324277962.db2.gz MZCAINJNCCGMFH-YPMHNXCESA-N 2 2 329.307 3.427 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000579022876 325052485 /nfs/dbraw/zinc/05/24/85/325052485.db2.gz CVKJTGKPGKEARB-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000579022876 325052489 /nfs/dbraw/zinc/05/24/89/325052489.db2.gz CVKJTGKPGKEARB-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579237285 325081911 /nfs/dbraw/zinc/08/19/11/325081911.db2.gz CCPBPIJXDAYVKD-GOSISDBHSA-N 2 2 337.467 3.377 10 0 EGAELP CC(C)(C[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(N)=O ZINC000579434959 325108405 /nfs/dbraw/zinc/10/84/05/325108405.db2.gz HCLBJMZWEPNWNX-CQSZACIVSA-N 2 2 346.500 3.047 10 0 EGAELP CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(N)=O ZINC000579434959 325108408 /nfs/dbraw/zinc/10/84/08/325108408.db2.gz HCLBJMZWEPNWNX-CQSZACIVSA-N 2 2 346.500 3.047 10 0 EGAELP Brc1sccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000623441768 460551912 /nfs/dbraw/zinc/55/19/12/460551912.db2.gz ISSUAOCFNCOIAW-UHFFFAOYSA-N 2 2 326.263 3.497 10 0 EGAELP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000181113682 455289519 /nfs/dbraw/zinc/28/95/19/455289519.db2.gz YMHPZLQFHKENNU-UHFFFAOYSA-N 2 2 333.524 3.027 10 0 EGAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000181113682 455289524 /nfs/dbraw/zinc/28/95/24/455289524.db2.gz YMHPZLQFHKENNU-UHFFFAOYSA-N 2 2 333.524 3.027 10 0 EGAELP Cc1ccc([C@](C)(O)C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000084047625 453966156 /nfs/dbraw/zinc/96/61/56/453966156.db2.gz BGYAWACEXLGJAB-LJQANCHMSA-N 2 2 325.412 3.079 10 0 EGAELP [NH2+]=C(NCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000057752044 454144199 /nfs/dbraw/zinc/14/41/99/454144199.db2.gz PZXIFTIRXNTJHT-QGZVFWFLSA-N 2 2 326.444 3.121 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000246095178 455425935 /nfs/dbraw/zinc/42/59/35/455425935.db2.gz IXCGMTRWRSMMBF-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000246095178 455425941 /nfs/dbraw/zinc/42/59/41/455425941.db2.gz IXCGMTRWRSMMBF-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(OC(F)F)c1 ZINC000246095178 455425942 /nfs/dbraw/zinc/42/59/42/455425942.db2.gz IXCGMTRWRSMMBF-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(OC(F)F)c1 ZINC000246095178 455425949 /nfs/dbraw/zinc/42/59/49/455425949.db2.gz IXCGMTRWRSMMBF-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)nc1C ZINC000119463038 454197650 /nfs/dbraw/zinc/19/76/50/454197650.db2.gz QWNPCSFTHHKOBZ-AWEZNQCLSA-N 2 2 339.505 3.155 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858880 454353479 /nfs/dbraw/zinc/35/34/79/454353479.db2.gz PKDCSQPIPNWHSE-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858880 454353483 /nfs/dbraw/zinc/35/34/83/454353483.db2.gz PKDCSQPIPNWHSE-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858880 454353485 /nfs/dbraw/zinc/35/34/85/454353485.db2.gz PKDCSQPIPNWHSE-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000072858880 454353488 /nfs/dbraw/zinc/35/34/88/454353488.db2.gz PKDCSQPIPNWHSE-OAHLLOKOSA-N 2 2 329.444 3.124 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000133003057 454383671 /nfs/dbraw/zinc/38/36/71/454383671.db2.gz BQIFHQZLISNEGR-KSSFIOAISA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000133003057 454383681 /nfs/dbraw/zinc/38/36/81/454383681.db2.gz BQIFHQZLISNEGR-KSSFIOAISA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461508 454418760 /nfs/dbraw/zinc/41/87/60/454418760.db2.gz XEVFZPFNPXCSKM-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461508 454418765 /nfs/dbraw/zinc/41/87/65/454418765.db2.gz XEVFZPFNPXCSKM-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461508 454418770 /nfs/dbraw/zinc/41/87/70/454418770.db2.gz XEVFZPFNPXCSKM-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000079461508 454418775 /nfs/dbraw/zinc/41/87/75/454418775.db2.gz XEVFZPFNPXCSKM-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461890 454419298 /nfs/dbraw/zinc/41/92/98/454419298.db2.gz OBGLYQDHVFGZLS-RHSMWYFYSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461890 454419302 /nfs/dbraw/zinc/41/93/02/454419302.db2.gz OBGLYQDHVFGZLS-RHSMWYFYSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461890 454419308 /nfs/dbraw/zinc/41/93/08/454419308.db2.gz OBGLYQDHVFGZLS-RHSMWYFYSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000079461890 454419311 /nfs/dbraw/zinc/41/93/11/454419311.db2.gz OBGLYQDHVFGZLS-RHSMWYFYSA-N 2 2 335.517 3.009 10 0 EGAELP Cc1cc(C)c(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000600901726 460636129 /nfs/dbraw/zinc/63/61/29/460636129.db2.gz CWDKQPYBBRZCDJ-HSZRJFAPSA-N 2 2 327.453 3.412 10 0 EGAELP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1 ZINC000091287862 454422516 /nfs/dbraw/zinc/42/25/16/454422516.db2.gz DBMVCMWYOHTQBF-OAQYLSRUSA-N 2 2 339.483 3.401 10 0 EGAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606198452 460640119 /nfs/dbraw/zinc/64/01/19/460640119.db2.gz BVQOHIODELKFLS-UHFFFAOYSA-N 2 2 334.379 3.394 10 0 EGAELP CCCn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121805678 454479769 /nfs/dbraw/zinc/47/97/69/454479769.db2.gz QAKKCMSYLOKSTA-HXUWFJFHSA-N 2 2 326.488 3.437 10 0 EGAELP CCCn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000121805678 454479776 /nfs/dbraw/zinc/47/97/76/454479776.db2.gz QAKKCMSYLOKSTA-HXUWFJFHSA-N 2 2 326.488 3.437 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000048716769 454510051 /nfs/dbraw/zinc/51/00/51/454510051.db2.gz UWCPHBVIKMIVSQ-UHFFFAOYSA-N 2 2 347.466 3.022 10 0 EGAELP C[C@H]1C[N@@H+]([C@@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000134957117 454616987 /nfs/dbraw/zinc/61/69/87/454616987.db2.gz OQIPXFBMPZZQIH-BBRMVZONSA-N 2 2 342.468 3.498 10 0 EGAELP C[C@H]1C[N@H+]([C@@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000134957117 454616989 /nfs/dbraw/zinc/61/69/89/454616989.db2.gz OQIPXFBMPZZQIH-BBRMVZONSA-N 2 2 342.468 3.498 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000123805698 454676632 /nfs/dbraw/zinc/67/66/32/454676632.db2.gz SOOJTMNABJBZFK-HOTGVXAUSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000123805698 454676636 /nfs/dbraw/zinc/67/66/36/454676636.db2.gz SOOJTMNABJBZFK-HOTGVXAUSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805698 454676642 /nfs/dbraw/zinc/67/66/42/454676642.db2.gz SOOJTMNABJBZFK-HOTGVXAUSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805698 454676646 /nfs/dbraw/zinc/67/66/46/454676646.db2.gz SOOJTMNABJBZFK-HOTGVXAUSA-N 2 2 331.504 3.337 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000106214608 454686079 /nfs/dbraw/zinc/68/60/79/454686079.db2.gz LTWSXIPMYBKBPO-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000106214608 454686085 /nfs/dbraw/zinc/68/60/85/454686085.db2.gz LTWSXIPMYBKBPO-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147608 454688308 /nfs/dbraw/zinc/68/83/08/454688308.db2.gz FEKWHBABNJBJOM-AOIWGVFYSA-N 2 2 331.504 3.005 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093147608 454688313 /nfs/dbraw/zinc/68/83/13/454688313.db2.gz FEKWHBABNJBJOM-AOIWGVFYSA-N 2 2 331.504 3.005 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920920 454730927 /nfs/dbraw/zinc/73/09/27/454730927.db2.gz VCPMEKQIIVTWCQ-HZPDHXFCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920920 454730932 /nfs/dbraw/zinc/73/09/32/454730932.db2.gz VCPMEKQIIVTWCQ-HZPDHXFCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920920 454730933 /nfs/dbraw/zinc/73/09/33/454730933.db2.gz VCPMEKQIIVTWCQ-HZPDHXFCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000106920920 454730939 /nfs/dbraw/zinc/73/09/39/454730939.db2.gz VCPMEKQIIVTWCQ-HZPDHXFCSA-N 2 2 327.472 3.321 10 0 EGAELP Cc1nn(C)cc1C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000162409592 454773208 /nfs/dbraw/zinc/77/32/08/454773208.db2.gz DZWNQAQYQSBOHB-HXUWFJFHSA-N 2 2 340.515 3.291 10 0 EGAELP Cc1nn(C)cc1C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000162409592 454773211 /nfs/dbraw/zinc/77/32/11/454773211.db2.gz DZWNQAQYQSBOHB-HXUWFJFHSA-N 2 2 340.515 3.291 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153262925 454776416 /nfs/dbraw/zinc/77/64/16/454776416.db2.gz NWFLQCYRHJNZNL-KGLIPLIRSA-N 2 2 330.394 3.324 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000177059974 454817257 /nfs/dbraw/zinc/81/72/57/454817257.db2.gz DBFHRLFFMSUURH-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000177059974 454817260 /nfs/dbraw/zinc/81/72/60/454817260.db2.gz DBFHRLFFMSUURH-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000177059974 454817263 /nfs/dbraw/zinc/81/72/63/454817263.db2.gz DBFHRLFFMSUURH-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000177059974 454817265 /nfs/dbraw/zinc/81/72/65/454817265.db2.gz DBFHRLFFMSUURH-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000163280545 454835334 /nfs/dbraw/zinc/83/53/34/454835334.db2.gz BMJRLOYJCOEBCA-DOTOQJQBSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000163280545 454835336 /nfs/dbraw/zinc/83/53/36/454835336.db2.gz BMJRLOYJCOEBCA-DOTOQJQBSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000113228428 454917747 /nfs/dbraw/zinc/91/77/47/454917747.db2.gz IQPQSCUFOWXTRG-NVXWUHKLSA-N 2 2 337.423 3.183 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000178334517 454949898 /nfs/dbraw/zinc/94/98/98/454949898.db2.gz NNYFLHXLMKGJTN-GOEBONIOSA-N 2 2 344.434 3.131 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000151267814 454961588 /nfs/dbraw/zinc/96/15/88/454961588.db2.gz VVXCOHLZHJCWQK-GXTWGEPZSA-N 2 2 331.287 3.491 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000151334207 454970314 /nfs/dbraw/zinc/97/03/14/454970314.db2.gz LEFGCRVTLABLEP-DOTOQJQBSA-N 2 2 345.512 3.308 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717237 454972576 /nfs/dbraw/zinc/97/25/76/454972576.db2.gz HPHTVMZLDILSLV-CQSZACIVSA-N 2 2 333.867 3.019 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717237 454972579 /nfs/dbraw/zinc/97/25/79/454972579.db2.gz HPHTVMZLDILSLV-CQSZACIVSA-N 2 2 333.867 3.019 10 0 EGAELP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C(C)(C)C)n1 ZINC000179987467 455111388 /nfs/dbraw/zinc/11/13/88/455111388.db2.gz SJWCLNNLRJMBMA-HNNXBMFYSA-N 2 2 327.476 3.047 10 0 EGAELP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C(C)(C)C)n1 ZINC000179987467 455111391 /nfs/dbraw/zinc/11/13/91/455111391.db2.gz SJWCLNNLRJMBMA-HNNXBMFYSA-N 2 2 327.476 3.047 10 0 EGAELP C[C@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129508056 455114856 /nfs/dbraw/zinc/11/48/56/455114856.db2.gz LSGIOSWKYKXBHT-BBRMVZONSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129508056 455114859 /nfs/dbraw/zinc/11/48/59/455114859.db2.gz LSGIOSWKYKXBHT-BBRMVZONSA-N 2 2 331.489 3.021 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180125933 455136124 /nfs/dbraw/zinc/13/61/24/455136124.db2.gz OSDQTEWTORAXKS-QGZVFWFLSA-N 2 2 329.444 3.263 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000180131982 455136917 /nfs/dbraw/zinc/13/69/17/455136917.db2.gz ZBVPFKAVEVELNX-SFHVURJKSA-N 2 2 349.438 3.438 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000180131982 455136922 /nfs/dbraw/zinc/13/69/22/455136922.db2.gz ZBVPFKAVEVELNX-SFHVURJKSA-N 2 2 349.438 3.438 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160454 455142408 /nfs/dbraw/zinc/14/24/08/455142408.db2.gz IQBNEOWUVRWBKG-BQAFMNHLSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160454 455142410 /nfs/dbraw/zinc/14/24/10/455142410.db2.gz IQBNEOWUVRWBKG-BQAFMNHLSA-N 2 2 339.527 3.397 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000190477021 455328569 /nfs/dbraw/zinc/32/85/69/455328569.db2.gz NBXFBSQMYXGTCK-QGZVFWFLSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000190477021 455328573 /nfs/dbraw/zinc/32/85/73/455328573.db2.gz NBXFBSQMYXGTCK-QGZVFWFLSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000190477021 455328574 /nfs/dbraw/zinc/32/85/74/455328574.db2.gz NBXFBSQMYXGTCK-QGZVFWFLSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000190477021 455328576 /nfs/dbraw/zinc/32/85/76/455328576.db2.gz NBXFBSQMYXGTCK-QGZVFWFLSA-N 2 2 331.410 3.314 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@@H](C)C1 ZINC000245764153 455375713 /nfs/dbraw/zinc/37/57/13/455375713.db2.gz QKDABRHALNWBEA-DOXZYTNZSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@@H](C)C1 ZINC000245764153 455375715 /nfs/dbraw/zinc/37/57/15/455375715.db2.gz QKDABRHALNWBEA-DOXZYTNZSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@@H](C)C1 ZINC000245764153 455375718 /nfs/dbraw/zinc/37/57/18/455375718.db2.gz QKDABRHALNWBEA-DOXZYTNZSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)[C@@H](C)C1 ZINC000245764153 455375720 /nfs/dbraw/zinc/37/57/20/455375720.db2.gz QKDABRHALNWBEA-DOXZYTNZSA-N 2 2 332.488 3.181 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2F)nc[nH+]1 ZINC000174289426 455377175 /nfs/dbraw/zinc/37/71/75/455377175.db2.gz IJYUWWIMAHMIHU-GXTWGEPZSA-N 2 2 347.413 3.116 10 0 EGAELP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113420 455429454 /nfs/dbraw/zinc/42/94/54/455429454.db2.gz JZOIEXDIVDKPSH-ROUUACIJSA-N 2 2 346.519 3.146 10 0 EGAELP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113420 455429457 /nfs/dbraw/zinc/42/94/57/455429457.db2.gz JZOIEXDIVDKPSH-ROUUACIJSA-N 2 2 346.519 3.146 10 0 EGAELP CCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000246132835 455433764 /nfs/dbraw/zinc/43/37/64/455433764.db2.gz KXNVKMDYCWFUAB-SFTDATJTSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000246132835 455433765 /nfs/dbraw/zinc/43/37/65/455433765.db2.gz KXNVKMDYCWFUAB-SFTDATJTSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000246132835 455433766 /nfs/dbraw/zinc/43/37/66/455433766.db2.gz KXNVKMDYCWFUAB-SFTDATJTSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000246132835 455433768 /nfs/dbraw/zinc/43/37/68/455433768.db2.gz KXNVKMDYCWFUAB-SFTDATJTSA-N 2 2 338.499 3.390 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@@H](C)C1 ZINC000246221357 455451124 /nfs/dbraw/zinc/45/11/24/455451124.db2.gz QKOJXKCAJBRMBB-YOEHRIQHSA-N 2 2 325.460 3.014 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@@H](C)C1 ZINC000246221357 455451130 /nfs/dbraw/zinc/45/11/30/455451130.db2.gz QKOJXKCAJBRMBB-YOEHRIQHSA-N 2 2 325.460 3.014 10 0 EGAELP COc1ccccc1CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182497947 455525922 /nfs/dbraw/zinc/52/59/22/455525922.db2.gz XQTDLAZHZHCIDG-KRWDZBQOSA-N 2 2 325.456 3.457 10 0 EGAELP COc1ccccc1CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182497947 455525924 /nfs/dbraw/zinc/52/59/24/455525924.db2.gz XQTDLAZHZHCIDG-KRWDZBQOSA-N 2 2 325.456 3.457 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C ZINC000176106469 455541022 /nfs/dbraw/zinc/54/10/22/455541022.db2.gz KJBZSOMRTDSSLP-PBHICJAKSA-N 2 2 341.459 3.034 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C ZINC000176106469 455541027 /nfs/dbraw/zinc/54/10/27/455541027.db2.gz KJBZSOMRTDSSLP-PBHICJAKSA-N 2 2 341.459 3.034 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000192059954 455550405 /nfs/dbraw/zinc/55/04/05/455550405.db2.gz XGRUDROORCEUPO-KRWDZBQOSA-N 2 2 341.455 3.344 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000192059954 455550408 /nfs/dbraw/zinc/55/04/08/455550408.db2.gz XGRUDROORCEUPO-KRWDZBQOSA-N 2 2 341.455 3.344 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000247051993 455552213 /nfs/dbraw/zinc/55/22/13/455552213.db2.gz NNYFLHXLMKGJTN-HOCLYGCPSA-N 2 2 344.434 3.131 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266944 455613190 /nfs/dbraw/zinc/61/31/90/455613190.db2.gz ZDDFSUYSJPJRNM-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266944 455613199 /nfs/dbraw/zinc/61/31/99/455613199.db2.gz ZDDFSUYSJPJRNM-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266944 455613204 /nfs/dbraw/zinc/61/32/04/455613204.db2.gz ZDDFSUYSJPJRNM-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292266944 455613209 /nfs/dbraw/zinc/61/32/09/455613209.db2.gz ZDDFSUYSJPJRNM-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000271465090 455647738 /nfs/dbraw/zinc/64/77/38/455647738.db2.gz GRDHIWOFTLXPQG-VDZJLULYSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000271465090 455647741 /nfs/dbraw/zinc/64/77/41/455647741.db2.gz GRDHIWOFTLXPQG-VDZJLULYSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612649701 460689192 /nfs/dbraw/zinc/68/91/92/460689192.db2.gz UZOOPTUWXOEZJE-MRXNPFEDSA-N 2 2 338.455 3.058 10 0 EGAELP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612649701 460689197 /nfs/dbraw/zinc/68/91/97/460689197.db2.gz UZOOPTUWXOEZJE-MRXNPFEDSA-N 2 2 338.455 3.058 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728902 460694098 /nfs/dbraw/zinc/69/40/98/460694098.db2.gz FMANSLXKVHLUNX-VQIMIIECSA-N 2 2 332.488 3.207 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728902 460694101 /nfs/dbraw/zinc/69/41/01/460694101.db2.gz FMANSLXKVHLUNX-VQIMIIECSA-N 2 2 332.488 3.207 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000253430177 455847319 /nfs/dbraw/zinc/84/73/19/455847319.db2.gz XDMYIAYJARPUNM-OXQOHEQNSA-N 2 2 341.503 3.168 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000253430177 455847323 /nfs/dbraw/zinc/84/73/23/455847323.db2.gz XDMYIAYJARPUNM-OXQOHEQNSA-N 2 2 341.503 3.168 10 0 EGAELP COc1ccc(C(=O)CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000285481758 455854809 /nfs/dbraw/zinc/85/48/09/455854809.db2.gz CSWHZSCHGIZKFB-YJBOKZPZSA-N 2 2 327.428 3.048 10 0 EGAELP COc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000285481758 455854813 /nfs/dbraw/zinc/85/48/13/455854813.db2.gz CSWHZSCHGIZKFB-YJBOKZPZSA-N 2 2 327.428 3.048 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285483318 455856257 /nfs/dbraw/zinc/85/62/57/455856257.db2.gz LOAAJPAIGIHNSD-DFNIBXOVSA-N 2 2 329.488 3.306 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285483318 455856258 /nfs/dbraw/zinc/85/62/58/455856258.db2.gz LOAAJPAIGIHNSD-DFNIBXOVSA-N 2 2 329.488 3.306 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285483318 455856260 /nfs/dbraw/zinc/85/62/60/455856260.db2.gz LOAAJPAIGIHNSD-DFNIBXOVSA-N 2 2 329.488 3.306 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285483318 455856262 /nfs/dbraw/zinc/85/62/62/455856262.db2.gz LOAAJPAIGIHNSD-DFNIBXOVSA-N 2 2 329.488 3.306 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000195515930 455973961 /nfs/dbraw/zinc/97/39/61/455973961.db2.gz XIZXJXZMZYMTHI-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000195515930 455973968 /nfs/dbraw/zinc/97/39/68/455973968.db2.gz XIZXJXZMZYMTHI-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc12 ZINC000195515950 455977408 /nfs/dbraw/zinc/97/74/08/455977408.db2.gz PEZOOEKSQADZEI-MRXNPFEDSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc12 ZINC000195515950 455977413 /nfs/dbraw/zinc/97/74/13/455977413.db2.gz PEZOOEKSQADZEI-MRXNPFEDSA-N 2 2 333.439 3.267 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262270297 456019583 /nfs/dbraw/zinc/01/95/83/456019583.db2.gz IGACKSKORSUGDW-PMPSAXMXSA-N 2 2 349.906 3.063 10 0 EGAELP C[C@H](Cc1c[nH]c2ccc3c(c12)CCCO3)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000209160093 456019935 /nfs/dbraw/zinc/01/99/35/456019935.db2.gz RJQNDVFNVRMTPL-KUHUBIRLSA-N 2 2 339.483 3.108 10 0 EGAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)c2C1 ZINC000612712528 460708214 /nfs/dbraw/zinc/70/82/14/460708214.db2.gz RMQHFIZUJILHAK-AWEZNQCLSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)c2C1 ZINC000612712528 460708218 /nfs/dbraw/zinc/70/82/18/460708218.db2.gz RMQHFIZUJILHAK-AWEZNQCLSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)c2C1 ZINC000612712528 460708225 /nfs/dbraw/zinc/70/82/25/460708225.db2.gz RMQHFIZUJILHAK-AWEZNQCLSA-N 2 2 338.455 3.125 10 0 EGAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)c2C1 ZINC000612712528 460708228 /nfs/dbraw/zinc/70/82/28/460708228.db2.gz RMQHFIZUJILHAK-AWEZNQCLSA-N 2 2 338.455 3.125 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272728 456184812 /nfs/dbraw/zinc/18/48/12/456184812.db2.gz YPBPGOYVKXSZCH-AEFFLSMTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272728 456184815 /nfs/dbraw/zinc/18/48/15/456184815.db2.gz YPBPGOYVKXSZCH-AEFFLSMTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272728 456184820 /nfs/dbraw/zinc/18/48/20/456184820.db2.gz YPBPGOYVKXSZCH-AEFFLSMTSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272728 456184826 /nfs/dbraw/zinc/18/48/26/456184826.db2.gz YPBPGOYVKXSZCH-AEFFLSMTSA-N 2 2 342.487 3.043 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236950445 456207557 /nfs/dbraw/zinc/20/75/57/456207557.db2.gz UFNDASLVUCNAFY-JKSUJKDBSA-N 2 2 326.444 3.416 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Br)c1 ZINC000289999585 456212285 /nfs/dbraw/zinc/21/22/85/456212285.db2.gz LAHBUMXAYAIIQK-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Br)c1 ZINC000289999585 456212291 /nfs/dbraw/zinc/21/22/91/456212291.db2.gz LAHBUMXAYAIIQK-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999585 456212299 /nfs/dbraw/zinc/21/22/99/456212299.db2.gz LAHBUMXAYAIIQK-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999585 456212304 /nfs/dbraw/zinc/21/23/04/456212304.db2.gz LAHBUMXAYAIIQK-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP Cc1nc(N2CCN(c3cc[nH+]cc3Cl)CC2)c2c([nH+]1)CCCC2 ZINC000302064216 456278621 /nfs/dbraw/zinc/27/86/21/456278621.db2.gz CKDLQLKVEGZRHK-UHFFFAOYSA-N 2 2 343.862 3.039 10 0 EGAELP Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c2cc(F)ccc2[nH+]1 ZINC000302178419 456308359 /nfs/dbraw/zinc/30/83/59/456308359.db2.gz YDKBLIWQFRMJIO-UHFFFAOYSA-N 2 2 337.402 3.107 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000297847064 456308611 /nfs/dbraw/zinc/30/86/11/456308611.db2.gz OHGZCDMMWDRVJW-IUODEOHRSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000297847064 456308614 /nfs/dbraw/zinc/30/86/14/456308614.db2.gz OHGZCDMMWDRVJW-IUODEOHRSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000297847064 456308619 /nfs/dbraw/zinc/30/86/19/456308619.db2.gz OHGZCDMMWDRVJW-IUODEOHRSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000297847064 456308622 /nfs/dbraw/zinc/30/86/22/456308622.db2.gz OHGZCDMMWDRVJW-IUODEOHRSA-N 2 2 332.517 3.496 10 0 EGAELP c1cnn(CCCCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282118173 456417507 /nfs/dbraw/zinc/41/75/07/456417507.db2.gz QJWXCCJJZKALFN-SFHVURJKSA-N 2 2 341.503 3.466 10 0 EGAELP c1cnn(CCCCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282118173 456417514 /nfs/dbraw/zinc/41/75/14/456417514.db2.gz QJWXCCJJZKALFN-SFHVURJKSA-N 2 2 341.503 3.466 10 0 EGAELP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000348101046 456479653 /nfs/dbraw/zinc/47/96/53/456479653.db2.gz HLVOROXUFPPSNQ-XLIONFOSSA-N 2 2 349.482 3.091 10 0 EGAELP COC(=O)C[C@@](C)([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000353158493 456529780 /nfs/dbraw/zinc/52/97/80/456529780.db2.gz ZFRJGKYXICFPFF-LJQANCHMSA-N 2 2 336.451 3.070 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000353173577 456540120 /nfs/dbraw/zinc/54/01/20/456540120.db2.gz VMVPJISAMPYLCG-SJPCQFCGSA-N 2 2 326.444 3.102 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000353173577 456540124 /nfs/dbraw/zinc/54/01/24/456540124.db2.gz VMVPJISAMPYLCG-SJPCQFCGSA-N 2 2 326.444 3.102 10 0 EGAELP Cc1ccc(-c2nnc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1 ZINC000353173577 456540129 /nfs/dbraw/zinc/54/01/29/456540129.db2.gz VMVPJISAMPYLCG-SJPCQFCGSA-N 2 2 326.444 3.102 10 0 EGAELP Cc1ccc(-c2nnc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1 ZINC000353173577 456540133 /nfs/dbraw/zinc/54/01/33/456540133.db2.gz VMVPJISAMPYLCG-SJPCQFCGSA-N 2 2 326.444 3.102 10 0 EGAELP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348219848 456544050 /nfs/dbraw/zinc/54/40/50/456544050.db2.gz MRRQMLJSHNHTET-INIZCTEOSA-N 2 2 344.528 3.306 10 0 EGAELP CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348219848 456544058 /nfs/dbraw/zinc/54/40/58/456544058.db2.gz MRRQMLJSHNHTET-INIZCTEOSA-N 2 2 344.528 3.306 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000337804836 456558427 /nfs/dbraw/zinc/55/84/27/456558427.db2.gz KAMFVZOEQYWENN-SFHVURJKSA-N 2 2 336.483 3.489 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000337804836 456558435 /nfs/dbraw/zinc/55/84/35/456558435.db2.gz KAMFVZOEQYWENN-SFHVURJKSA-N 2 2 336.483 3.489 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000348256262 456574807 /nfs/dbraw/zinc/57/48/07/456574807.db2.gz LSGIOSWKYKXBHT-CZUORRHYSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2csc(N(C)C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000348256262 456574813 /nfs/dbraw/zinc/57/48/13/456574813.db2.gz LSGIOSWKYKXBHT-CZUORRHYSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348302034 456606545 /nfs/dbraw/zinc/60/65/45/456606545.db2.gz LEGNTVCIYSQNKH-ZIAGYGMSSA-N 2 2 335.411 3.150 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cccnc1 ZINC000348320038 456620215 /nfs/dbraw/zinc/62/02/15/456620215.db2.gz QGQKMCKXWTWARU-KGLIPLIRSA-N 2 2 335.411 3.150 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321325799 456638209 /nfs/dbraw/zinc/63/82/09/456638209.db2.gz SCXPVESBIISFJM-GDBMZVCRSA-N 2 2 328.485 3.169 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321325799 456638215 /nfs/dbraw/zinc/63/82/15/456638215.db2.gz SCXPVESBIISFJM-GDBMZVCRSA-N 2 2 328.485 3.169 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000343464935 456639332 /nfs/dbraw/zinc/63/93/32/456639332.db2.gz XJFDYCPLJKWKFP-BEFAXECRSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000343464935 456639340 /nfs/dbraw/zinc/63/93/40/456639340.db2.gz XJFDYCPLJKWKFP-BEFAXECRSA-N 2 2 341.455 3.312 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324585062 456669034 /nfs/dbraw/zinc/66/90/34/456669034.db2.gz BXDRUAFUSKEEPV-FUHWJXTLSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324585062 456669040 /nfs/dbraw/zinc/66/90/40/456669040.db2.gz BXDRUAFUSKEEPV-FUHWJXTLSA-N 2 2 329.488 3.213 10 0 EGAELP C[N@@H+]1CC[C@@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463157 456698394 /nfs/dbraw/zinc/69/83/94/456698394.db2.gz HSPWYDGRIKHUEU-HXJFWZBSSA-N 2 2 328.500 3.365 10 0 EGAELP C[N@H+]1CC[C@@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463157 456698402 /nfs/dbraw/zinc/69/84/02/456698402.db2.gz HSPWYDGRIKHUEU-HXJFWZBSSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@@H]2OCC[N@H+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463157 456698413 /nfs/dbraw/zinc/69/84/13/456698413.db2.gz HSPWYDGRIKHUEU-HXJFWZBSSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@@H]2OCC[N@@H+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463157 456698420 /nfs/dbraw/zinc/69/84/20/456698420.db2.gz HSPWYDGRIKHUEU-HXJFWZBSSA-N 2 2 328.500 3.365 10 0 EGAELP c1cnc2ccc(C[N@H+](Cc3cncnc3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000328628695 456723707 /nfs/dbraw/zinc/72/37/07/456723707.db2.gz HNONAHOQZKHFAT-HXUWFJFHSA-N 2 2 347.466 3.169 10 0 EGAELP c1cnc2ccc(C[N@@H+](Cc3cncnc3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000328628695 456723715 /nfs/dbraw/zinc/72/37/15/456723715.db2.gz HNONAHOQZKHFAT-HXUWFJFHSA-N 2 2 347.466 3.169 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353633117 456817570 /nfs/dbraw/zinc/81/75/70/456817570.db2.gz WJSPZKICRWOSHP-GXTWGEPZSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353633117 456817576 /nfs/dbraw/zinc/81/75/76/456817576.db2.gz WJSPZKICRWOSHP-GXTWGEPZSA-N 2 2 332.245 3.307 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072471 456847165 /nfs/dbraw/zinc/84/71/65/456847165.db2.gz DSURQKCHDCKZRL-SLYNCCJLSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072471 456847169 /nfs/dbraw/zinc/84/71/69/456847169.db2.gz DSURQKCHDCKZRL-SLYNCCJLSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072471 456847173 /nfs/dbraw/zinc/84/71/73/456847173.db2.gz DSURQKCHDCKZRL-SLYNCCJLSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292072471 456847177 /nfs/dbraw/zinc/84/71/77/456847177.db2.gz DSURQKCHDCKZRL-SLYNCCJLSA-N 2 2 343.515 3.060 10 0 EGAELP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349409601 456964556 /nfs/dbraw/zinc/96/45/56/456964556.db2.gz RPCRPXHTFROGDR-UHFFFAOYSA-N 3 2 329.492 3.130 10 0 EGAELP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349409601 456964559 /nfs/dbraw/zinc/96/45/59/456964559.db2.gz RPCRPXHTFROGDR-UHFFFAOYSA-N 3 2 329.492 3.130 10 0 EGAELP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000349822093 457066209 /nfs/dbraw/zinc/06/62/09/457066209.db2.gz OJABZEGEGLCVMW-HNNXBMFYSA-N 2 2 346.496 3.440 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cn(C(C)C)nn2)c(C)c1 ZINC000342191843 457160866 /nfs/dbraw/zinc/16/08/66/457160866.db2.gz RMCVUDQUKYHPQM-IBGZPJMESA-N 2 2 338.459 3.203 10 0 EGAELP CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[nH]1 ZINC000362989853 457185481 /nfs/dbraw/zinc/18/54/81/457185481.db2.gz LKZDUCNIIPRZLO-GXTWGEPZSA-N 2 2 339.447 3.058 10 0 EGAELP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000386126486 457430597 /nfs/dbraw/zinc/43/05/97/457430597.db2.gz NFXIOXBGCHCNPI-MRXNPFEDSA-N 2 2 326.469 3.017 10 0 EGAELP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000386126486 457430604 /nfs/dbraw/zinc/43/06/04/457430604.db2.gz NFXIOXBGCHCNPI-MRXNPFEDSA-N 2 2 326.469 3.017 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374018660 457441591 /nfs/dbraw/zinc/44/15/91/457441591.db2.gz PCQGEGLOKCNPBF-HLIPFELVSA-N 2 2 341.455 3.031 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374018660 457441598 /nfs/dbraw/zinc/44/15/98/457441598.db2.gz PCQGEGLOKCNPBF-HLIPFELVSA-N 2 2 341.455 3.031 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2F)CC1 ZINC000342686250 457456636 /nfs/dbraw/zinc/45/66/36/457456636.db2.gz AILAQPCXOGRBLB-GOSISDBHSA-N 2 2 336.451 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000374200788 457521644 /nfs/dbraw/zinc/52/16/44/457521644.db2.gz RJOUIJMERRTQSM-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000425370560 457524509 /nfs/dbraw/zinc/52/45/09/457524509.db2.gz OOYGRTRBALFERY-MOPGFXCFSA-N 2 2 347.528 3.093 10 0 EGAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787967 457528515 /nfs/dbraw/zinc/52/85/15/457528515.db2.gz WPKVRVIGFAXMTE-KUHUBIRLSA-N 2 2 341.434 3.079 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000425420486 457545893 /nfs/dbraw/zinc/54/58/93/457545893.db2.gz MKQRSWPEBVSJEX-UZLBHIALSA-N 2 2 333.439 3.423 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000425420486 457545898 /nfs/dbraw/zinc/54/58/98/457545898.db2.gz MKQRSWPEBVSJEX-UZLBHIALSA-N 2 2 333.439 3.423 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000352753775 457583920 /nfs/dbraw/zinc/58/39/20/457583920.db2.gz GCLBXHPQSDTAHA-UHFFFAOYSA-N 2 2 331.423 3.067 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357692905 457659420 /nfs/dbraw/zinc/65/94/20/457659420.db2.gz MAGMWYNKTYCNDU-IRXDYDNUSA-N 2 2 332.492 3.221 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357692905 457659423 /nfs/dbraw/zinc/65/94/23/457659423.db2.gz MAGMWYNKTYCNDU-IRXDYDNUSA-N 2 2 332.492 3.221 10 0 EGAELP COC(=O)[C@@H](C)C[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290509 457680827 /nfs/dbraw/zinc/68/08/27/457680827.db2.gz SUNJFNOQEFJZPB-HNNXBMFYSA-N 2 2 331.460 3.256 10 0 EGAELP COC(=O)[C@@H](C)C[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290509 457680830 /nfs/dbraw/zinc/68/08/30/457680830.db2.gz SUNJFNOQEFJZPB-HNNXBMFYSA-N 2 2 331.460 3.256 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](C4CCC4)CC3)c(C)n2n1 ZINC000357791060 457691073 /nfs/dbraw/zinc/69/10/73/457691073.db2.gz HSDGXTIJAVGQND-CQSZACIVSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000361318183 457691517 /nfs/dbraw/zinc/69/15/17/457691517.db2.gz IJUNQIOFSNISNQ-KRWDZBQOSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000361318183 457691519 /nfs/dbraw/zinc/69/15/19/457691519.db2.gz IJUNQIOFSNISNQ-KRWDZBQOSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000361352423 457702785 /nfs/dbraw/zinc/70/27/85/457702785.db2.gz DGBFELPVHPMVNO-INIZCTEOSA-N 2 2 343.393 3.370 10 0 EGAELP COCC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCOC1 ZINC000361395452 457717336 /nfs/dbraw/zinc/71/73/36/457717336.db2.gz OJNFBXFCTZJYHT-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP COCC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCOC1 ZINC000361395452 457717337 /nfs/dbraw/zinc/71/73/37/457717337.db2.gz OJNFBXFCTZJYHT-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP CCn1c2ccc(F)cc2[nH+]c1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000361443160 457733567 /nfs/dbraw/zinc/73/35/67/457733567.db2.gz OZDDZSQBZDPZIC-UHFFFAOYSA-N 2 2 341.415 3.477 10 0 EGAELP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000361456554 457738007 /nfs/dbraw/zinc/73/80/07/457738007.db2.gz KVXDJDWJMWENMH-LJQANCHMSA-N 2 2 348.487 3.217 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000361524192 457769977 /nfs/dbraw/zinc/76/99/77/457769977.db2.gz JVQRRWQSHZTQQR-CYBMUJFWSA-N 2 2 333.382 3.252 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481128 457823387 /nfs/dbraw/zinc/82/33/87/457823387.db2.gz KQKRSWOCXCPTGE-IRLDBZIGSA-N 2 2 349.478 3.394 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481128 457823397 /nfs/dbraw/zinc/82/33/97/457823397.db2.gz KQKRSWOCXCPTGE-IRLDBZIGSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481128 457823406 /nfs/dbraw/zinc/82/34/06/457823406.db2.gz KQKRSWOCXCPTGE-IRLDBZIGSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481128 457823415 /nfs/dbraw/zinc/82/34/15/457823415.db2.gz KQKRSWOCXCPTGE-IRLDBZIGSA-N 2 2 349.478 3.394 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558852 457852427 /nfs/dbraw/zinc/85/24/27/457852427.db2.gz LZSZQZUAYURFLS-HXUWFJFHSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558852 457852431 /nfs/dbraw/zinc/85/24/31/457852431.db2.gz LZSZQZUAYURFLS-HXUWFJFHSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366558852 457852436 /nfs/dbraw/zinc/85/24/36/457852436.db2.gz LZSZQZUAYURFLS-HXUWFJFHSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366558852 457852444 /nfs/dbraw/zinc/85/24/44/457852444.db2.gz LZSZQZUAYURFLS-HXUWFJFHSA-N 2 2 342.439 3.137 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000433787445 457884901 /nfs/dbraw/zinc/88/49/01/457884901.db2.gz UZHFBHAXLKKBBA-GDBMZVCRSA-N 2 2 327.476 3.357 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000433787445 457884908 /nfs/dbraw/zinc/88/49/08/457884908.db2.gz UZHFBHAXLKKBBA-GDBMZVCRSA-N 2 2 327.476 3.357 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271285 457901193 /nfs/dbraw/zinc/90/11/93/457901193.db2.gz XVBKMIAXIFCJPE-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271285 457901207 /nfs/dbraw/zinc/90/12/07/457901207.db2.gz XVBKMIAXIFCJPE-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361894936 457937773 /nfs/dbraw/zinc/93/77/73/457937773.db2.gz RLBBOAOQDSYFFQ-FGTMMUONSA-N 2 2 338.536 3.061 10 0 EGAELP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435000245 458076846 /nfs/dbraw/zinc/07/68/46/458076846.db2.gz QELLXNMBDZLDQN-CQSZACIVSA-N 2 2 326.444 3.179 10 0 EGAELP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445821509 458095407 /nfs/dbraw/zinc/09/54/07/458095407.db2.gz YXPRIGJNAGPPKS-LJQANCHMSA-N 2 2 326.488 3.238 10 0 EGAELP CN(CC[C@H]1CCCC[N@H+]1C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445821509 458095415 /nfs/dbraw/zinc/09/54/15/458095415.db2.gz YXPRIGJNAGPPKS-LJQANCHMSA-N 2 2 326.488 3.238 10 0 EGAELP c1ccc(N2CCC([NH2+]CCc3ccc4ccccc4n3)CC2)[nH+]c1 ZINC000358660020 458135625 /nfs/dbraw/zinc/13/56/25/458135625.db2.gz FWARLKIIXNGYMZ-UHFFFAOYSA-N 2 2 332.451 3.431 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398499 458152410 /nfs/dbraw/zinc/15/24/10/458152410.db2.gz RMADXKPISPANLY-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398499 458152415 /nfs/dbraw/zinc/15/24/15/458152415.db2.gz RMADXKPISPANLY-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398499 458152417 /nfs/dbraw/zinc/15/24/17/458152417.db2.gz RMADXKPISPANLY-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398499 458152421 /nfs/dbraw/zinc/15/24/21/458152421.db2.gz RMADXKPISPANLY-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)(C)c1cnc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000369289692 458159185 /nfs/dbraw/zinc/15/91/85/458159185.db2.gz CYDQGDZQJQAKHN-UHFFFAOYSA-N 2 2 327.457 3.311 10 0 EGAELP Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000362496127 458218970 /nfs/dbraw/zinc/21/89/70/458218970.db2.gz AUQTXRWPNUPOTA-QGZVFWFLSA-N 2 2 339.439 3.349 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539477 458308079 /nfs/dbraw/zinc/30/80/79/458308079.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000447539477 458308084 /nfs/dbraw/zinc/30/80/84/458308084.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539477 458308091 /nfs/dbraw/zinc/30/80/91/458308091.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539477 458308094 /nfs/dbraw/zinc/30/80/94/458308094.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCc1c[nH+]cn1C ZINC000459366859 458346939 /nfs/dbraw/zinc/34/69/39/458346939.db2.gz DLXNGRBSCJQOIL-GFCCVEGCSA-N 2 2 334.261 3.172 10 0 EGAELP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCc1c[nH+]cn1C ZINC000459366859 458346941 /nfs/dbraw/zinc/34/69/41/458346941.db2.gz DLXNGRBSCJQOIL-GFCCVEGCSA-N 2 2 334.261 3.172 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000459655366 458438064 /nfs/dbraw/zinc/43/80/64/458438064.db2.gz GGGDVHAWEWXOPX-UHFFFAOYSA-N 2 2 339.414 3.471 10 0 EGAELP Clc1ccc(Br)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377400920 458499548 /nfs/dbraw/zinc/49/95/48/458499548.db2.gz NMCRPQYLMQLNQD-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(Br)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377400920 458499553 /nfs/dbraw/zinc/49/95/53/458499553.db2.gz NMCRPQYLMQLNQD-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000377799638 458532611 /nfs/dbraw/zinc/53/26/11/458532611.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000377799638 458532615 /nfs/dbraw/zinc/53/26/15/458532615.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799638 458532618 /nfs/dbraw/zinc/53/26/18/458532618.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000377799638 458532626 /nfs/dbraw/zinc/53/26/26/458532626.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 3 2 336.483 3.052 10 0 EGAELP CC[C@@H](C[NH2+]Cc1cncn1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000424140764 458569317 /nfs/dbraw/zinc/56/93/17/458569317.db2.gz WRHOFUJFSPDEPV-IBGZPJMESA-N 2 2 326.488 3.391 10 0 EGAELP CC[C@@H](C[NH2+]Cc1cncn1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000424140764 458569322 /nfs/dbraw/zinc/56/93/22/458569322.db2.gz WRHOFUJFSPDEPV-IBGZPJMESA-N 2 2 326.488 3.391 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424259691 458595708 /nfs/dbraw/zinc/59/57/08/458595708.db2.gz APFABIVWPDMMJU-QZTJIDSGSA-N 2 2 345.512 3.127 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424259691 458595713 /nfs/dbraw/zinc/59/57/13/458595713.db2.gz APFABIVWPDMMJU-QZTJIDSGSA-N 2 2 345.512 3.127 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273484 458600949 /nfs/dbraw/zinc/60/09/49/458600949.db2.gz WZAIKBGVWONWNN-XNTOXWQXSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273484 458600955 /nfs/dbraw/zinc/60/09/55/458600955.db2.gz WZAIKBGVWONWNN-XNTOXWQXSA-N 2 2 328.500 3.444 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000463075810 458675156 /nfs/dbraw/zinc/67/51/56/458675156.db2.gz RMLANRSEKONRJN-QGZVFWFLSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000463075810 458675161 /nfs/dbraw/zinc/67/51/61/458675161.db2.gz RMLANRSEKONRJN-QGZVFWFLSA-N 2 2 342.487 3.245 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000471219922 458685633 /nfs/dbraw/zinc/68/56/33/458685633.db2.gz UNVSXOVTASZIAW-QZTJIDSGSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000471219922 458685638 /nfs/dbraw/zinc/68/56/38/458685638.db2.gz UNVSXOVTASZIAW-QZTJIDSGSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000471219922 458685645 /nfs/dbraw/zinc/68/56/45/458685645.db2.gz UNVSXOVTASZIAW-QZTJIDSGSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000471219922 458685652 /nfs/dbraw/zinc/68/56/52/458685652.db2.gz UNVSXOVTASZIAW-QZTJIDSGSA-N 2 2 325.541 3.077 10 0 EGAELP CC(C)(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH+]c[nH]1 ZINC000547754625 458786669 /nfs/dbraw/zinc/78/66/69/458786669.db2.gz IAFQYIRIKKIKGQ-UHFFFAOYSA-N 2 2 326.444 3.312 10 0 EGAELP CC(C)(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH]c[nH+]1 ZINC000547754625 458786675 /nfs/dbraw/zinc/78/66/75/458786675.db2.gz IAFQYIRIKKIKGQ-UHFFFAOYSA-N 2 2 326.444 3.312 10 0 EGAELP [NH3+]C1CCC(OCC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000566799283 459003000 /nfs/dbraw/zinc/00/30/00/459003000.db2.gz CXKWOADYVHDZAC-UHFFFAOYSA-N 2 2 341.411 3.099 10 0 EGAELP CC(C)[C@H]1CC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000556893417 459029013 /nfs/dbraw/zinc/02/90/13/459029013.db2.gz ZQWOGFBNYRQAOD-IAGOWNOFSA-N 2 2 342.487 3.284 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000594505337 459066256 /nfs/dbraw/zinc/06/62/56/459066256.db2.gz RMKHRLKTLXKVII-SFHVURJKSA-N 2 2 327.428 3.117 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443005694 459073750 /nfs/dbraw/zinc/07/37/50/459073750.db2.gz YGZVPDYWSHVVSL-OXJNMPFZSA-N 2 2 327.472 3.488 10 0 EGAELP FC(F)(F)c1ccc(-n2cc(C[NH2+]CCC[NH+]3CCC3)cn2)cc1 ZINC000577768288 459093468 /nfs/dbraw/zinc/09/34/68/459093468.db2.gz ZRZKKGUENYBPJT-UHFFFAOYSA-N 2 2 338.377 3.077 10 0 EGAELP COC(=O)c1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000594607691 459110128 /nfs/dbraw/zinc/11/01/28/459110128.db2.gz DQIHYUMWYBFOSQ-OAHLLOKOSA-N 2 2 344.455 3.375 10 0 EGAELP COC(=O)c1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000594607691 459110134 /nfs/dbraw/zinc/11/01/34/459110134.db2.gz DQIHYUMWYBFOSQ-OAHLLOKOSA-N 2 2 344.455 3.375 10 0 EGAELP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950298 459166001 /nfs/dbraw/zinc/16/60/01/459166001.db2.gz HDDHFXKIPIMQNS-RBUKOAKNSA-N 2 2 349.563 3.412 10 0 EGAELP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950298 459166003 /nfs/dbraw/zinc/16/60/03/459166003.db2.gz HDDHFXKIPIMQNS-RBUKOAKNSA-N 2 2 349.563 3.412 10 0 EGAELP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CSCCF ZINC000595025329 459219648 /nfs/dbraw/zinc/21/96/48/459219648.db2.gz GAIYQZGCPCUVRM-HNNXBMFYSA-N 2 2 325.497 3.250 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000595056190 459230361 /nfs/dbraw/zinc/23/03/61/459230361.db2.gz CKHRYOWWPMZPGY-WMZOPIPTSA-N 2 2 330.472 3.313 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000595056190 459230366 /nfs/dbraw/zinc/23/03/66/459230366.db2.gz CKHRYOWWPMZPGY-WMZOPIPTSA-N 2 2 330.472 3.313 10 0 EGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cn2ccccc2n1 ZINC000559893021 459282979 /nfs/dbraw/zinc/28/29/79/459282979.db2.gz IKFABFCSYDVDRR-QGZVFWFLSA-N 2 2 334.467 3.433 10 0 EGAELP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cn2ccccc2n1 ZINC000559893021 459282985 /nfs/dbraw/zinc/28/29/85/459282985.db2.gz IKFABFCSYDVDRR-QGZVFWFLSA-N 2 2 334.467 3.433 10 0 EGAELP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081887 459307589 /nfs/dbraw/zinc/30/75/89/459307589.db2.gz BCUOXEKBCKMMFU-CHWSQXEVSA-N 2 2 329.429 3.393 10 0 EGAELP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081887 459307595 /nfs/dbraw/zinc/30/75/95/459307595.db2.gz BCUOXEKBCKMMFU-CHWSQXEVSA-N 2 2 329.429 3.393 10 0 EGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082535 459309893 /nfs/dbraw/zinc/30/98/93/459309893.db2.gz HWDIYGFVRFNOQP-XJKSGUPXSA-N 2 2 332.835 3.201 10 0 EGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082535 459309898 /nfs/dbraw/zinc/30/98/98/459309898.db2.gz HWDIYGFVRFNOQP-XJKSGUPXSA-N 2 2 332.835 3.201 10 0 EGAELP CCOC(=O)C12CC(C1)C[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000595864289 459467432 /nfs/dbraw/zinc/46/74/32/459467432.db2.gz SAQLFXONVMHQFE-UHFFFAOYSA-N 2 2 342.483 3.200 10 0 EGAELP CCOC(=O)C12CC(C1)C[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000595864289 459467437 /nfs/dbraw/zinc/46/74/37/459467437.db2.gz SAQLFXONVMHQFE-UHFFFAOYSA-N 2 2 342.483 3.200 10 0 EGAELP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000583148607 459490574 /nfs/dbraw/zinc/49/05/74/459490574.db2.gz IKCJTRNUALQYRB-KRWDZBQOSA-N 2 2 340.471 3.137 10 0 EGAELP COc1ccc([C@@H](CNc2nc(C)[nH+]cc2C)[NH+]2CCCCC2)cc1 ZINC000562121692 459514116 /nfs/dbraw/zinc/51/41/16/459514116.db2.gz HMOBUXXTUOZAAJ-LJQANCHMSA-N 2 2 340.471 3.163 10 0 EGAELP O[C@H](C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)C(F)(F)F ZINC000542464719 459558724 /nfs/dbraw/zinc/55/87/24/459558724.db2.gz ORWNMULJFUVGIK-CQSZACIVSA-N 2 2 345.390 3.069 10 0 EGAELP Fc1c(Br)ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1F ZINC000527713967 459711369 /nfs/dbraw/zinc/71/13/69/459711369.db2.gz XKOTWWZGOAGJEA-VIFPVBQESA-N 2 2 342.187 3.098 10 0 EGAELP Fc1c(Br)ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1F ZINC000527713967 459711374 /nfs/dbraw/zinc/71/13/74/459711374.db2.gz XKOTWWZGOAGJEA-VIFPVBQESA-N 2 2 342.187 3.098 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000544408194 459757510 /nfs/dbraw/zinc/75/75/10/459757510.db2.gz DQBHSAUWUIPAHN-CQSZACIVSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000544408194 459757511 /nfs/dbraw/zinc/75/75/11/459757511.db2.gz DQBHSAUWUIPAHN-CQSZACIVSA-N 2 2 326.375 3.204 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943710 459778218 /nfs/dbraw/zinc/77/82/18/459778218.db2.gz BMTVUGSHWQOADQ-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943710 459778223 /nfs/dbraw/zinc/77/82/23/459778223.db2.gz BMTVUGSHWQOADQ-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011405 459796199 /nfs/dbraw/zinc/79/61/99/459796199.db2.gz LCGNTHWYAWQHKP-PZJWPPBQSA-N 2 2 341.499 3.086 10 0 EGAELP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011405 459796203 /nfs/dbraw/zinc/79/62/03/459796203.db2.gz LCGNTHWYAWQHKP-PZJWPPBQSA-N 2 2 341.499 3.086 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000545240842 459814451 /nfs/dbraw/zinc/81/44/51/459814451.db2.gz VNZARDNBIDXJLY-QLFBSQMISA-N 2 2 326.444 3.382 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000545240842 459814454 /nfs/dbraw/zinc/81/44/54/459814454.db2.gz VNZARDNBIDXJLY-QLFBSQMISA-N 2 2 326.444 3.382 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000585814703 459855277 /nfs/dbraw/zinc/85/52/77/459855277.db2.gz ZKKIYYXJRFIXLH-AWEZNQCLSA-N 2 2 346.393 3.210 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000585814703 459855282 /nfs/dbraw/zinc/85/52/82/459855282.db2.gz ZKKIYYXJRFIXLH-AWEZNQCLSA-N 2 2 346.393 3.210 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000586780985 459871481 /nfs/dbraw/zinc/87/14/81/459871481.db2.gz YWCUWKQHNYNELO-KRWDZBQOSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000586780985 459871486 /nfs/dbraw/zinc/87/14/86/459871486.db2.gz YWCUWKQHNYNELO-KRWDZBQOSA-N 2 2 332.488 3.218 10 0 EGAELP C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687111 459967404 /nfs/dbraw/zinc/96/74/04/459967404.db2.gz KLNNWPAEADZSBF-SJLPKXTDSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687111 459967407 /nfs/dbraw/zinc/96/74/07/459967407.db2.gz KLNNWPAEADZSBF-SJLPKXTDSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687111 459967412 /nfs/dbraw/zinc/96/74/12/459967412.db2.gz KLNNWPAEADZSBF-SJLPKXTDSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@H](c1ccccc1F)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687111 459967416 /nfs/dbraw/zinc/96/74/16/459967416.db2.gz KLNNWPAEADZSBF-SJLPKXTDSA-N 2 2 330.447 3.311 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228215 460079121 /nfs/dbraw/zinc/07/91/21/460079121.db2.gz XTKQPUJARNYVRV-KDOFPFPSSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228215 460079129 /nfs/dbraw/zinc/07/91/29/460079129.db2.gz XTKQPUJARNYVRV-KDOFPFPSSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228215 460079136 /nfs/dbraw/zinc/07/91/36/460079136.db2.gz XTKQPUJARNYVRV-KDOFPFPSSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228215 460079141 /nfs/dbraw/zinc/07/91/41/460079141.db2.gz XTKQPUJARNYVRV-KDOFPFPSSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)CC1(O)CCC(c2ccccc2)CC1 ZINC000625274880 460101253 /nfs/dbraw/zinc/10/12/53/460101253.db2.gz WTHCHDOHKBLLHI-UHFFFAOYSA-N 2 2 327.472 3.294 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)CC1(O)CCC(c2ccccc2)CC1 ZINC000625274880 460101261 /nfs/dbraw/zinc/10/12/61/460101261.db2.gz WTHCHDOHKBLLHI-UHFFFAOYSA-N 2 2 327.472 3.294 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784468 460264007 /nfs/dbraw/zinc/26/40/07/460264007.db2.gz AARQFADXTFWJFI-CTNGQTDRSA-N 2 2 339.483 3.005 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784468 460264013 /nfs/dbraw/zinc/26/40/13/460264013.db2.gz AARQFADXTFWJFI-CTNGQTDRSA-N 2 2 339.483 3.005 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000626089260 460367648 /nfs/dbraw/zinc/36/76/48/460367648.db2.gz IKROUZBDGCDSHN-UHFFFAOYSA-N 2 2 326.525 3.159 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000619554483 460382450 /nfs/dbraw/zinc/38/24/50/460382450.db2.gz JCZZZZKLLLQEOY-QYZOEREBSA-N 2 2 344.499 3.361 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000619554483 460382454 /nfs/dbraw/zinc/38/24/54/460382454.db2.gz JCZZZZKLLLQEOY-QYZOEREBSA-N 2 2 344.499 3.361 10 0 EGAELP CC(C)Cc1ncc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)s1 ZINC000623089734 460408276 /nfs/dbraw/zinc/40/82/76/460408276.db2.gz VZHBABGHEREATF-UHFFFAOYSA-N 2 2 331.476 3.408 10 0 EGAELP COC[C@@]1(C)C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000626177029 460412005 /nfs/dbraw/zinc/41/20/05/460412005.db2.gz CVWRWVGVJKEXJF-HXUWFJFHSA-N 2 2 345.487 3.252 10 0 EGAELP COC[C@@]1(C)C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000626177029 460412010 /nfs/dbraw/zinc/41/20/10/460412010.db2.gz CVWRWVGVJKEXJF-HXUWFJFHSA-N 2 2 345.487 3.252 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000628476013 460430618 /nfs/dbraw/zinc/43/06/18/460430618.db2.gz VXXSXNSSEXERHO-FUHWJXTLSA-N 2 2 332.488 3.480 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000634811351 460533228 /nfs/dbraw/zinc/53/32/28/460533228.db2.gz BYWLQXCYYWDSTB-HNNXBMFYSA-N 2 2 325.460 3.051 10 0 EGAELP Brc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c2ncccc12 ZINC000629384783 460745107 /nfs/dbraw/zinc/74/51/07/460745107.db2.gz GCKHPRGDAZIKKE-HNNXBMFYSA-N 2 2 346.272 3.372 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCOCC1 ZINC000629389746 460746038 /nfs/dbraw/zinc/74/60/38/460746038.db2.gz UISYJRSFJLXHMZ-UHFFFAOYSA-N 2 2 338.879 3.259 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623874014 460756588 /nfs/dbraw/zinc/75/65/88/460756588.db2.gz YXKNXWLRBOEYPM-CMPLNLGQSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623874014 460756593 /nfs/dbraw/zinc/75/65/93/460756593.db2.gz YXKNXWLRBOEYPM-CMPLNLGQSA-N 2 2 335.801 3.369 10 0 EGAELP CN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959612 460785096 /nfs/dbraw/zinc/78/50/96/460785096.db2.gz LLFNITSBECHYSE-OTWHNJEPSA-N 2 2 349.563 3.218 10 0 EGAELP CN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959612 460785103 /nfs/dbraw/zinc/78/51/03/460785103.db2.gz LLFNITSBECHYSE-OTWHNJEPSA-N 2 2 349.563 3.218 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000629527643 460796082 /nfs/dbraw/zinc/79/60/82/460796082.db2.gz AWDYQLTUPGOIOK-XUVXKRRUSA-N 2 2 325.456 3.104 10 0 EGAELP CCCC[N@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623965385 460800449 /nfs/dbraw/zinc/80/04/49/460800449.db2.gz HFBYUBOHNFFVTN-UHFFFAOYSA-N 2 2 325.460 3.141 10 0 EGAELP CCCC[N@@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623965385 460800456 /nfs/dbraw/zinc/80/04/56/460800456.db2.gz HFBYUBOHNFFVTN-UHFFFAOYSA-N 2 2 325.460 3.141 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C[NH2+]1 ZINC000629541823 460801022 /nfs/dbraw/zinc/80/10/22/460801022.db2.gz WUWMJJDFVATLAY-OSAQELSMSA-N 2 2 339.277 3.393 10 0 EGAELP COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629558762 460806977 /nfs/dbraw/zinc/80/69/77/460806977.db2.gz NFESRTOIIYLMLE-IUODEOHRSA-N 2 2 339.277 3.204 10 0 EGAELP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629558762 460806980 /nfs/dbraw/zinc/80/69/80/460806980.db2.gz NFESRTOIIYLMLE-IUODEOHRSA-N 2 2 339.277 3.204 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000629655501 460848529 /nfs/dbraw/zinc/84/85/29/460848529.db2.gz YFTPBYYTQKJIAL-ZWKOTPCHSA-N 2 2 339.487 3.290 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000629660262 460853767 /nfs/dbraw/zinc/85/37/67/460853767.db2.gz QVZZRFJUXKYDKM-ABAIWWIYSA-N 2 2 338.377 3.326 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[NH2+]1 ZINC000629659593 460853957 /nfs/dbraw/zinc/85/39/57/460853957.db2.gz CTNVXUKKDMYGEX-QFBILLFUSA-N 2 2 338.499 3.455 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@H]3CCCC[N@@H+]3C3CC3)n1)C2 ZINC000624160190 460890229 /nfs/dbraw/zinc/89/02/29/460890229.db2.gz HEJWZDFVYPHJRE-LJQANCHMSA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@H]3CCCC[N@H+]3C3CC3)n1)C2 ZINC000624160190 460890233 /nfs/dbraw/zinc/89/02/33/460890233.db2.gz HEJWZDFVYPHJRE-LJQANCHMSA-N 2 2 349.482 3.426 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225835 460919529 /nfs/dbraw/zinc/91/95/29/460919529.db2.gz COGJERONEBNAND-SUYBPPKGSA-N 2 2 337.870 3.130 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225835 460919533 /nfs/dbraw/zinc/91/95/33/460919533.db2.gz COGJERONEBNAND-SUYBPPKGSA-N 2 2 337.870 3.130 10 0 EGAELP Fc1cccc(F)c1C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000624345833 460970169 /nfs/dbraw/zinc/97/01/69/460970169.db2.gz XCAPIVQXFJWHRD-OAHLLOKOSA-N 2 2 336.426 3.187 10 0 EGAELP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ncc1Br ZINC000628176419 461033653 /nfs/dbraw/zinc/03/36/53/461033653.db2.gz JMYVEJPEOGZLTB-UHFFFAOYSA-N 2 2 335.249 3.255 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccsc1 ZINC000624557808 461052572 /nfs/dbraw/zinc/05/25/72/461052572.db2.gz ZLOIPKAYFSKDTA-MOPGFXCFSA-N 2 2 330.497 3.378 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccsc1 ZINC000624557808 461052579 /nfs/dbraw/zinc/05/25/79/461052579.db2.gz ZLOIPKAYFSKDTA-MOPGFXCFSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000624557808 461052585 /nfs/dbraw/zinc/05/25/85/461052585.db2.gz ZLOIPKAYFSKDTA-MOPGFXCFSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000624557808 461052591 /nfs/dbraw/zinc/05/25/91/461052591.db2.gz ZLOIPKAYFSKDTA-MOPGFXCFSA-N 2 2 330.497 3.378 10 0 EGAELP COC1CC[NH+](C2(C[NH2+]C[C@]3(C)CCCS3)CCCC2)CC1 ZINC000628217396 461053059 /nfs/dbraw/zinc/05/30/59/461053059.db2.gz VLAVHDUWHMVOGO-KRWDZBQOSA-N 2 2 326.550 3.285 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292723 461077169 /nfs/dbraw/zinc/07/71/69/461077169.db2.gz QUUFBFNHVZTKNY-MRXNPFEDSA-N 2 2 346.368 3.294 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292723 461077175 /nfs/dbraw/zinc/07/71/75/461077175.db2.gz QUUFBFNHVZTKNY-MRXNPFEDSA-N 2 2 346.368 3.294 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292723 461077177 /nfs/dbraw/zinc/07/71/77/461077177.db2.gz QUUFBFNHVZTKNY-MRXNPFEDSA-N 2 2 346.368 3.294 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292723 461077182 /nfs/dbraw/zinc/07/71/82/461077182.db2.gz QUUFBFNHVZTKNY-MRXNPFEDSA-N 2 2 346.368 3.294 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662235285 461133626 /nfs/dbraw/zinc/13/36/26/461133626.db2.gz JTPRKBYJFASQOP-CJNGLKHVSA-N 2 2 339.361 3.414 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662235285 461133639 /nfs/dbraw/zinc/13/36/39/461133639.db2.gz JTPRKBYJFASQOP-CJNGLKHVSA-N 2 2 339.361 3.414 10 0 EGAELP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662256071 461144956 /nfs/dbraw/zinc/14/49/56/461144956.db2.gz JNDUYDUMLRWULH-QFBILLFUSA-N 2 2 340.467 3.343 10 0 EGAELP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662256071 461144957 /nfs/dbraw/zinc/14/49/57/461144957.db2.gz JNDUYDUMLRWULH-QFBILLFUSA-N 2 2 340.467 3.343 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@H]1CC[NH3+] ZINC000652355814 461149148 /nfs/dbraw/zinc/14/91/48/461149148.db2.gz ISQFNZYRJDXZMD-JSGCOSHPSA-N 2 2 340.427 3.031 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@H]1CC[NH3+] ZINC000652355814 461149156 /nfs/dbraw/zinc/14/91/56/461149156.db2.gz ISQFNZYRJDXZMD-JSGCOSHPSA-N 2 2 340.427 3.031 10 0 EGAELP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319767 461189805 /nfs/dbraw/zinc/18/98/05/461189805.db2.gz LYRLZUHWRFWRDC-FUHWJXTLSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319767 461189813 /nfs/dbraw/zinc/18/98/13/461189813.db2.gz LYRLZUHWRFWRDC-FUHWJXTLSA-N 2 2 343.471 3.445 10 0 EGAELP Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668243281 461202938 /nfs/dbraw/zinc/20/29/38/461202938.db2.gz XZXVZGZPEVKDAC-LJQANCHMSA-N 2 2 349.438 3.014 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662363065 461212490 /nfs/dbraw/zinc/21/24/90/461212490.db2.gz ZUEGDIYJCFYVMZ-RDTXWAMCSA-N 2 2 335.398 3.425 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662363065 461212496 /nfs/dbraw/zinc/21/24/96/461212496.db2.gz ZUEGDIYJCFYVMZ-RDTXWAMCSA-N 2 2 335.398 3.425 10 0 EGAELP COc1ccc(Cl)c(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000649649757 461248415 /nfs/dbraw/zinc/24/84/15/461248415.db2.gz XKJGQTLJASQNBE-UHFFFAOYSA-N 2 2 348.878 3.066 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c[nH+]1 ZINC000668819746 461451792 /nfs/dbraw/zinc/45/17/92/461451792.db2.gz XATRFBLUFLSBPL-LJQANCHMSA-N 2 2 325.456 3.211 10 0 EGAELP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642196469 461467371 /nfs/dbraw/zinc/46/73/71/461467371.db2.gz HIZNQXAUMKKERB-CYBMUJFWSA-N 2 2 341.434 3.418 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642196469 461467376 /nfs/dbraw/zinc/46/73/76/461467376.db2.gz HIZNQXAUMKKERB-CYBMUJFWSA-N 2 2 341.434 3.418 10 0 EGAELP c1[nH+]c(C2CCCCC2)n2c1C[C@@H](c1nc([C@@H]3CCC[NH2+]3)no1)CC2 ZINC000647146976 461522763 /nfs/dbraw/zinc/52/27/63/461522763.db2.gz GUEMJQWBCFRCHU-HOCLYGCPSA-N 2 2 341.459 3.468 10 0 EGAELP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccnn1-c1ccccn1)c1ccccc1 ZINC000647183368 461551006 /nfs/dbraw/zinc/55/10/06/461551006.db2.gz UPJKOZXEDNBDOY-KRWDZBQOSA-N 2 2 349.482 3.486 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000647207710 461566232 /nfs/dbraw/zinc/56/62/32/461566232.db2.gz IBFUFCQSDBZMLT-UHFFFAOYSA-N 2 2 328.460 3.095 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)c1C ZINC000656037405 461570096 /nfs/dbraw/zinc/57/00/96/461570096.db2.gz DGEDKQNNLFKKCY-KBPBESRZSA-N 2 2 331.464 3.279 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656113127 461598511 /nfs/dbraw/zinc/59/85/11/461598511.db2.gz GMOHJEHHNDEKND-CQSZACIVSA-N 2 2 332.473 3.179 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000656113127 461598525 /nfs/dbraw/zinc/59/85/25/461598525.db2.gz GMOHJEHHNDEKND-CQSZACIVSA-N 2 2 332.473 3.179 10 0 EGAELP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000647305327 461625027 /nfs/dbraw/zinc/62/50/27/461625027.db2.gz FZTNNOKZHNMMIH-APWZRJJASA-N 2 2 334.529 3.222 10 0 EGAELP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000647305327 461625034 /nfs/dbraw/zinc/62/50/34/461625034.db2.gz FZTNNOKZHNMMIH-APWZRJJASA-N 2 2 334.529 3.222 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480304 461727952 /nfs/dbraw/zinc/72/79/52/461727952.db2.gz JBGBQHBITFDIEV-CJNGLKHVSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480304 461727963 /nfs/dbraw/zinc/72/79/63/461727963.db2.gz JBGBQHBITFDIEV-CJNGLKHVSA-N 2 2 340.414 3.261 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501930 461747292 /nfs/dbraw/zinc/74/72/92/461747292.db2.gz SYWAMLQPTJFKBN-ZFWWWQNUSA-N 2 2 339.277 3.395 10 0 EGAELP CCCOc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1OCC ZINC000647536824 461751515 /nfs/dbraw/zinc/75/15/15/461751515.db2.gz IVULPFRGPDHZMT-HXUWFJFHSA-N 2 2 332.488 3.450 10 0 EGAELP CCCOc1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1OCC ZINC000647536824 461751519 /nfs/dbraw/zinc/75/15/19/461751519.db2.gz IVULPFRGPDHZMT-HXUWFJFHSA-N 2 2 332.488 3.450 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548986 461761636 /nfs/dbraw/zinc/76/16/36/461761636.db2.gz YSINNNXLADUNLA-WIYYLYMNSA-N 3 2 341.543 3.346 10 0 EGAELP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000647548935 461762878 /nfs/dbraw/zinc/76/28/78/461762878.db2.gz BAGLEUFMBFGYTH-VQIMIIECSA-N 2 2 347.466 3.022 10 0 EGAELP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553628 461765119 /nfs/dbraw/zinc/76/51/19/461765119.db2.gz FNKGBURABZSUFC-IOASZLSFSA-N 2 2 326.843 3.241 10 0 EGAELP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553628 461765124 /nfs/dbraw/zinc/76/51/24/461765124.db2.gz FNKGBURABZSUFC-IOASZLSFSA-N 2 2 326.843 3.241 10 0 EGAELP Cn1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000669714398 461776160 /nfs/dbraw/zinc/77/61/60/461776160.db2.gz GFQWKPIMXCXJIL-INIZCTEOSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000669714398 461776165 /nfs/dbraw/zinc/77/61/65/461776165.db2.gz GFQWKPIMXCXJIL-INIZCTEOSA-N 2 2 349.482 3.486 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1OC ZINC000656789228 461899805 /nfs/dbraw/zinc/89/98/05/461899805.db2.gz SRVHASQOOBYWNV-RTBURBONSA-N 2 2 340.467 3.329 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000656854860 461926264 /nfs/dbraw/zinc/92/62/64/461926264.db2.gz RKGCYCKMIQORNJ-UHFFFAOYSA-N 2 2 339.414 3.471 10 0 EGAELP C(c1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1)C1CC1 ZINC000639450901 461929721 /nfs/dbraw/zinc/92/97/21/461929721.db2.gz DLCMWONCEXZAQY-UHFFFAOYSA-N 2 2 332.492 3.110 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000644623089 462013093 /nfs/dbraw/zinc/01/30/93/462013093.db2.gz OMMOXRABWSYNML-SFHVURJKSA-N 2 2 334.410 3.207 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000644623089 462013099 /nfs/dbraw/zinc/01/30/99/462013099.db2.gz OMMOXRABWSYNML-SFHVURJKSA-N 2 2 334.410 3.207 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000657296497 462024875 /nfs/dbraw/zinc/02/48/75/462024875.db2.gz WGFKGPNPARLKGP-UHFFFAOYSA-N 2 2 326.488 3.299 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000657296497 462024882 /nfs/dbraw/zinc/02/48/82/462024882.db2.gz WGFKGPNPARLKGP-UHFFFAOYSA-N 2 2 326.488 3.299 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000657299181 462026431 /nfs/dbraw/zinc/02/64/31/462026431.db2.gz ZMDGAZVERPUMRM-UHFFFAOYSA-N 2 2 338.499 3.226 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000657299181 462026435 /nfs/dbraw/zinc/02/64/35/462026435.db2.gz ZMDGAZVERPUMRM-UHFFFAOYSA-N 2 2 338.499 3.226 10 0 EGAELP Cc1ccccc1[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667648066 462189608 /nfs/dbraw/zinc/18/96/08/462189608.db2.gz KQPICNUDZWVUQV-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667648066 462189618 /nfs/dbraw/zinc/18/96/18/462189618.db2.gz KQPICNUDZWVUQV-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000657619796 462207382 /nfs/dbraw/zinc/20/73/82/462207382.db2.gz UKRDLGOBSVOISF-MRXNPFEDSA-N 2 2 344.833 3.318 10 0 EGAELP O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000657706586 462238443 /nfs/dbraw/zinc/23/84/43/462238443.db2.gz DIZZGGAPPZRUOS-ROUUACIJSA-N 2 2 334.891 3.198 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651686346 462303682 /nfs/dbraw/zinc/30/36/82/462303682.db2.gz YMQLKSOCYXGHPI-QGZVFWFLSA-N 2 2 339.483 3.246 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCn4nccc43)C2)CC1 ZINC000657998711 462342946 /nfs/dbraw/zinc/34/29/46/462342946.db2.gz OHGHCSFEWJHPLH-NRXISQOPSA-N 2 2 342.409 3.113 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057171 462360928 /nfs/dbraw/zinc/36/09/28/462360928.db2.gz NODVTNJUFBGGDQ-WMZOPIPTSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057171 462360932 /nfs/dbraw/zinc/36/09/32/462360932.db2.gz NODVTNJUFBGGDQ-WMZOPIPTSA-N 3 2 333.520 3.150 10 0 EGAELP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000665257305 462373466 /nfs/dbraw/zinc/37/34/66/462373466.db2.gz FVKVARWEVPESRL-CWFSZBLJSA-N 2 2 344.478 3.269 10 0 EGAELP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277556 462381929 /nfs/dbraw/zinc/38/19/29/462381929.db2.gz FKTHRMHFGOCOQL-DAIYRKSASA-N 2 2 327.497 3.445 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665357621 462415738 /nfs/dbraw/zinc/41/57/38/462415738.db2.gz RJLOPADEDOSJRG-HOTGVXAUSA-N 2 2 347.507 3.012 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665357621 462415741 /nfs/dbraw/zinc/41/57/41/462415741.db2.gz RJLOPADEDOSJRG-HOTGVXAUSA-N 2 2 347.507 3.012 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1nccn1C ZINC000658339320 462481154 /nfs/dbraw/zinc/48/11/54/462481154.db2.gz QPLQGDFLRNMHES-DLBZAZTESA-N 2 2 326.488 3.166 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344997 462484400 /nfs/dbraw/zinc/48/44/00/462484400.db2.gz XVIPUSGWZQZMLZ-QFBILLFUSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344997 462484406 /nfs/dbraw/zinc/48/44/06/462484406.db2.gz XVIPUSGWZQZMLZ-QFBILLFUSA-N 2 2 329.513 3.215 10 0 EGAELP CN(C)c1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000607142969 479780478 /nfs/dbraw/zinc/78/04/78/479780478.db2.gz UBPGJWUISSPWQI-INIZCTEOSA-N 2 2 345.878 3.445 10 0 EGAELP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246744458 536457762 /nfs/dbraw/zinc/45/77/62/536457762.db2.gz RETZIZYCEIJROQ-VQIMIIECSA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246744458 536457766 /nfs/dbraw/zinc/45/77/66/536457766.db2.gz RETZIZYCEIJROQ-VQIMIIECSA-N 2 2 339.439 3.038 10 0 EGAELP CC(C)[NH+]1CCN(C(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)CC1 ZINC000065239075 546564261 /nfs/dbraw/zinc/56/42/61/546564261.db2.gz AEADUAJVUYUYMI-UHFFFAOYSA-N 2 2 347.528 3.173 10 0 EGAELP CC(C)[NH+]1CCN(C(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)CC1 ZINC000065239075 546564267 /nfs/dbraw/zinc/56/42/67/546564267.db2.gz AEADUAJVUYUYMI-UHFFFAOYSA-N 2 2 347.528 3.173 10 0 EGAELP CC(C)[N@H+]1Cc2cc(C(=O)NCCC[NH+]3CCC[C@H](C)C3)sc2C1 ZINC000065238766 546564971 /nfs/dbraw/zinc/56/49/71/546564971.db2.gz CONFFJAVLKMSCT-HNNXBMFYSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[N@@H+]1Cc2cc(C(=O)NCCC[NH+]3CCC[C@H](C)C3)sc2C1 ZINC000065238766 546564974 /nfs/dbraw/zinc/56/49/74/546564974.db2.gz CONFFJAVLKMSCT-HNNXBMFYSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[NH+]1Cc2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)sc2C1 ZINC000065238766 546564975 /nfs/dbraw/zinc/56/49/75/546564975.db2.gz CONFFJAVLKMSCT-HNNXBMFYSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[NH+]1Cc2cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)sc2C1 ZINC000065238766 546564978 /nfs/dbraw/zinc/56/49/78/546564978.db2.gz CONFFJAVLKMSCT-HNNXBMFYSA-N 2 2 349.544 3.324 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681378 547122314 /nfs/dbraw/zinc/12/23/14/547122314.db2.gz XEAFFUPYUJDSBY-KGLIPLIRSA-N 2 2 330.432 3.072 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681378 547122318 /nfs/dbraw/zinc/12/23/18/547122318.db2.gz XEAFFUPYUJDSBY-KGLIPLIRSA-N 2 2 330.432 3.072 10 0 EGAELP CCc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(C)[nH+]1 ZINC000282000879 547379932 /nfs/dbraw/zinc/37/99/32/547379932.db2.gz UFNVKSIXWJJRQV-OAHLLOKOSA-N 2 2 325.460 3.264 10 0 EGAELP Cc1cc(Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)nc(C)[nH+]1 ZINC000436438514 547904036 /nfs/dbraw/zinc/90/40/36/547904036.db2.gz IILKLWKPMRBREO-HUUCEWRRSA-N 2 2 326.444 3.446 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2nccn21)c1ccccc1 ZINC000678303212 549464923 /nfs/dbraw/zinc/46/49/23/549464923.db2.gz QRSGUKAJHFDVGK-SFHVURJKSA-N 2 2 331.423 3.141 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000678822482 549570116 /nfs/dbraw/zinc/57/01/16/549570116.db2.gz GMACHHRHPBDJIM-GOSISDBHSA-N 2 2 334.467 3.431 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000678822482 549570120 /nfs/dbraw/zinc/57/01/20/549570120.db2.gz GMACHHRHPBDJIM-GOSISDBHSA-N 2 2 334.467 3.431 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000680346282 549853212 /nfs/dbraw/zinc/85/32/12/549853212.db2.gz IRRYEHFVHQUNEP-NVXWUHKLSA-N 2 2 344.421 3.334 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000680346282 549853215 /nfs/dbraw/zinc/85/32/15/549853215.db2.gz IRRYEHFVHQUNEP-NVXWUHKLSA-N 2 2 344.421 3.334 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919931 550273388 /nfs/dbraw/zinc/27/33/88/550273388.db2.gz QGWDOOKNFWWRFP-MRXNPFEDSA-N 2 2 346.519 3.190 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919931 550273390 /nfs/dbraw/zinc/27/33/90/550273390.db2.gz QGWDOOKNFWWRFP-MRXNPFEDSA-N 2 2 346.519 3.190 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(N3CCCC[C@@H]3CCO)[nH+]c2)c1 ZINC000170034681 564104954 /nfs/dbraw/zinc/10/49/54/564104954.db2.gz ADNOGOJFRWNERP-QGZVFWFLSA-N 2 2 326.444 3.138 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000728685965 574766124 /nfs/dbraw/zinc/76/61/24/574766124.db2.gz JSSKFRCWYHDYPJ-PXNSSMCTSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000728685965 574766125 /nfs/dbraw/zinc/76/61/25/574766125.db2.gz JSSKFRCWYHDYPJ-PXNSSMCTSA-N 2 2 334.479 3.447 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335483 576315058 /nfs/dbraw/zinc/31/50/58/576315058.db2.gz QOSZFDWGGTUZNO-RTBURBONSA-N 2 2 337.552 3.412 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335483 576315060 /nfs/dbraw/zinc/31/50/60/576315060.db2.gz QOSZFDWGGTUZNO-RTBURBONSA-N 2 2 337.552 3.412 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949471 576370221 /nfs/dbraw/zinc/37/02/21/576370221.db2.gz NNPQAWCXPAQTHO-HNNXBMFYSA-N 2 2 329.448 3.110 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949471 576370223 /nfs/dbraw/zinc/37/02/23/576370223.db2.gz NNPQAWCXPAQTHO-HNNXBMFYSA-N 2 2 329.448 3.110 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000741791544 576721921 /nfs/dbraw/zinc/72/19/21/576721921.db2.gz WVWLKPDJWZCLTD-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000741791544 576721923 /nfs/dbraw/zinc/72/19/23/576721923.db2.gz WVWLKPDJWZCLTD-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791544 576721925 /nfs/dbraw/zinc/72/19/25/576721925.db2.gz WVWLKPDJWZCLTD-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791544 576721926 /nfs/dbraw/zinc/72/19/26/576721926.db2.gz WVWLKPDJWZCLTD-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391448 576778398 /nfs/dbraw/zinc/77/83/98/576778398.db2.gz IQNOOODVZNFBES-OAHLLOKOSA-N 2 2 334.423 3.083 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000098173186 1292965292 /nfs/dbraw/zinc/96/52/92/1292965292.db2.gz CSKFJCOSMVCUQM-QGZVFWFLSA-N 2 2 336.524 3.068 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000098173186 1292965306 /nfs/dbraw/zinc/96/53/06/1292965306.db2.gz CSKFJCOSMVCUQM-QGZVFWFLSA-N 2 2 336.524 3.068 10 0 EGAELP Brc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c2ncccc12 ZINC000873230154 1297373225 /nfs/dbraw/zinc/37/32/25/1297373225.db2.gz NANJUHNUFUINFB-RDJZCZTQSA-N 2 2 346.272 3.372 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000585130409 1298035609 /nfs/dbraw/zinc/03/56/09/1298035609.db2.gz PINSEMGOPRYLQK-GOSISDBHSA-N 2 2 340.471 3.270 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000585130409 1298035615 /nfs/dbraw/zinc/03/56/15/1298035615.db2.gz PINSEMGOPRYLQK-GOSISDBHSA-N 2 2 340.471 3.270 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000886682427 1303558955 /nfs/dbraw/zinc/55/89/55/1303558955.db2.gz HKDFGRTYBPQWQD-UHFFFAOYSA-N 2 2 346.475 3.145 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000886718264 1303579037 /nfs/dbraw/zinc/57/90/37/1303579037.db2.gz VIMHRDZGOZCBGP-UHFFFAOYSA-N 2 2 341.499 3.046 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](CNc3nccn4c[nH+]cc34)C2)c1 ZINC000892141877 1305265796 /nfs/dbraw/zinc/26/57/96/1305265796.db2.gz ANMVLUKLOPRGAM-CQSZACIVSA-N 2 2 327.457 3.115 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](CNc3nccn4c[nH+]cc34)C2)c1 ZINC000892141877 1305265802 /nfs/dbraw/zinc/26/58/02/1305265802.db2.gz ANMVLUKLOPRGAM-CQSZACIVSA-N 2 2 327.457 3.115 10 0 EGAELP CC[N@@H+](Cc1[nH]nc(C)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075596 1306204030 /nfs/dbraw/zinc/20/40/30/1306204030.db2.gz GFHATDHSKIUCLX-LJQANCHMSA-N 2 2 326.488 3.371 10 0 EGAELP CC[N@H+](Cc1[nH]nc(C)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075596 1306204038 /nfs/dbraw/zinc/20/40/38/1306204038.db2.gz GFHATDHSKIUCLX-LJQANCHMSA-N 2 2 326.488 3.371 10 0 EGAELP CC[NH+](Cc1[nH]nc(C)c1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894075596 1306204044 /nfs/dbraw/zinc/20/40/44/1306204044.db2.gz GFHATDHSKIUCLX-LJQANCHMSA-N 2 2 326.488 3.371 10 0 EGAELP CC[NH+](Cc1[nH]nc(C)c1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894075596 1306204049 /nfs/dbraw/zinc/20/40/49/1306204049.db2.gz GFHATDHSKIUCLX-LJQANCHMSA-N 2 2 326.488 3.371 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092780 1306214767 /nfs/dbraw/zinc/21/47/67/1306214767.db2.gz BKNVUDKCARBQPI-RHSMWYFYSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092780 1306214775 /nfs/dbraw/zinc/21/47/75/1306214775.db2.gz BKNVUDKCARBQPI-RHSMWYFYSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1OC ZINC000894092780 1306214781 /nfs/dbraw/zinc/21/47/81/1306214781.db2.gz BKNVUDKCARBQPI-RHSMWYFYSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1OC ZINC000894092780 1306214785 /nfs/dbraw/zinc/21/47/85/1306214785.db2.gz BKNVUDKCARBQPI-RHSMWYFYSA-N 2 2 348.462 3.292 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000894469500 1308906512 /nfs/dbraw/zinc/90/65/12/1308906512.db2.gz GGULWTWEYGWNHI-FUMNGEBKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000894469500 1308906519 /nfs/dbraw/zinc/90/65/19/1308906519.db2.gz GGULWTWEYGWNHI-FUMNGEBKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894469500 1308906525 /nfs/dbraw/zinc/90/65/25/1308906525.db2.gz GGULWTWEYGWNHI-FUMNGEBKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000894469500 1308906529 /nfs/dbraw/zinc/90/65/29/1308906529.db2.gz GGULWTWEYGWNHI-FUMNGEBKSA-N 2 2 342.483 3.067 10 0 EGAELP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894903768 1309121095 /nfs/dbraw/zinc/12/10/95/1309121095.db2.gz CPFLDJXWKGCIIX-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP CCO[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1SC ZINC000895111149 1309195125 /nfs/dbraw/zinc/19/51/25/1309195125.db2.gz AAFCGPBXSOOTLQ-FDPKGLCPSA-N 2 2 335.517 3.067 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2ccc3nccnc3c2)c2cccc[nH+]2)CC1 ZINC000895115217 1309197029 /nfs/dbraw/zinc/19/70/29/1309197029.db2.gz MXPOZOKCSJTASS-QAQDUYKDSA-N 2 2 333.439 3.301 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(F)cc2Br)C1 ZINC000858100111 1328682135 /nfs/dbraw/zinc/68/21/35/1328682135.db2.gz KAOZGJGKIQSFIM-LBPRGKRZSA-N 2 2 329.257 3.328 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(F)cc2Br)C1 ZINC000858100111 1328682136 /nfs/dbraw/zinc/68/21/36/1328682136.db2.gz KAOZGJGKIQSFIM-LBPRGKRZSA-N 2 2 329.257 3.328 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146662 1328695898 /nfs/dbraw/zinc/69/58/98/1328695898.db2.gz KNQUENITXVUWJS-SFHVURJKSA-N 3 2 344.547 3.184 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146662 1328695906 /nfs/dbraw/zinc/69/59/06/1328695906.db2.gz KNQUENITXVUWJS-SFHVURJKSA-N 3 2 344.547 3.184 10 0 EGAELP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000930627839 1328918964 /nfs/dbraw/zinc/91/89/64/1328918964.db2.gz UREDBYCROXKQPQ-UHFFFAOYSA-N 2 2 348.531 3.436 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000921802865 1322400135 /nfs/dbraw/zinc/40/01/35/1322400135.db2.gz YWGUDPMZGJUYPZ-LJQANCHMSA-N 2 2 335.455 3.415 10 0 EGAELP c1cn(CCCC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c[nH+]1 ZINC000923373467 1322742349 /nfs/dbraw/zinc/74/23/49/1322742349.db2.gz PWFKCJSDGMLSKQ-IHWFROFDSA-N 3 2 330.520 3.296 10 0 EGAELP C[C@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC000923493147 1322762030 /nfs/dbraw/zinc/76/20/30/1322762030.db2.gz DUKVGUHKJGYTEN-UWVGGRQHSA-N 2 2 333.220 3.144 10 0 EGAELP C[C@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC000923493147 1322762033 /nfs/dbraw/zinc/76/20/33/1322762033.db2.gz DUKVGUHKJGYTEN-UWVGGRQHSA-N 2 2 333.220 3.144 10 0 EGAELP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)c(C)nn1 ZINC000931614423 1329154104 /nfs/dbraw/zinc/15/41/04/1329154104.db2.gz ZZMTYUDUCYLOCF-LEWJYISDSA-N 2 2 336.483 3.047 10 0 EGAELP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)c(C)nn1 ZINC000931614423 1329154110 /nfs/dbraw/zinc/15/41/10/1329154110.db2.gz ZZMTYUDUCYLOCF-LEWJYISDSA-N 2 2 336.483 3.047 10 0 EGAELP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c(C)nn1 ZINC000931614423 1329154114 /nfs/dbraw/zinc/15/41/14/1329154114.db2.gz ZZMTYUDUCYLOCF-LEWJYISDSA-N 2 2 336.483 3.047 10 0 EGAELP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c(C)nn1 ZINC000931614423 1329154115 /nfs/dbraw/zinc/15/41/15/1329154115.db2.gz ZZMTYUDUCYLOCF-LEWJYISDSA-N 2 2 336.483 3.047 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1c(Cl)cccc1Cl ZINC000925579667 1325219118 /nfs/dbraw/zinc/21/91/18/1325219118.db2.gz GPSRZBBEGHXSCJ-ZIAGYGMSSA-N 2 2 329.271 3.291 10 0 EGAELP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925607742 1325229565 /nfs/dbraw/zinc/22/95/65/1325229565.db2.gz RQYWHMRJDGSGMH-HXUWFJFHSA-N 2 2 344.499 3.147 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc(-c2ccccc2)no1 ZINC000925645179 1325245914 /nfs/dbraw/zinc/24/59/14/1325245914.db2.gz OLKZIBDSRBMBPB-NJAFHUGGSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1nc(-c2ccccc2)no1 ZINC000925645179 1325245921 /nfs/dbraw/zinc/24/59/21/1325245921.db2.gz OLKZIBDSRBMBPB-NJAFHUGGSA-N 2 2 340.471 3.447 10 0 EGAELP c1ccc(CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c2ccccn2)cc1 ZINC000925725359 1325270320 /nfs/dbraw/zinc/27/03/20/1325270320.db2.gz SPUAUSJHNHTUTI-HLMGQEERSA-N 2 2 333.479 3.342 10 0 EGAELP c1ccc(CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c2ccccn2)cc1 ZINC000925725361 1325271038 /nfs/dbraw/zinc/27/10/38/1325271038.db2.gz SPUAUSJHNHTUTI-JPKYEYPISA-N 2 2 333.479 3.342 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000925776930 1325297894 /nfs/dbraw/zinc/29/78/94/1325297894.db2.gz AZQLEYSSIWQAEC-QWRGUYRKSA-N 2 2 333.220 3.345 10 0 EGAELP Cc1c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)nnn1-c1ccc(C)cc1 ZINC000925841205 1325323409 /nfs/dbraw/zinc/32/34/09/1325323409.db2.gz HZRLNSXAUMVMHV-QKYXUNIQSA-N 2 2 339.487 3.067 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)cc(F)c1 ZINC000925937269 1325364187 /nfs/dbraw/zinc/36/41/87/1325364187.db2.gz RTDACVIHEPVSFI-CXAGYDPISA-N 2 2 344.434 3.240 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746271 1327695917 /nfs/dbraw/zinc/69/59/17/1327695917.db2.gz RXVWVUWDONFAED-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746271 1327695924 /nfs/dbraw/zinc/69/59/24/1327695924.db2.gz RXVWVUWDONFAED-UZLBHIALSA-N 2 2 339.487 3.325 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C(C2CC2)C2CC2)CCOCC1 ZINC000926960000 1327797442 /nfs/dbraw/zinc/79/74/42/1327797442.db2.gz UIHJWQWKWKYWSX-UHFFFAOYSA-N 2 2 328.500 3.446 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C(C2CC2)C2CC2)CCOCC1 ZINC000926960000 1327797445 /nfs/dbraw/zinc/79/74/45/1327797445.db2.gz UIHJWQWKWKYWSX-UHFFFAOYSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927127407 1327881304 /nfs/dbraw/zinc/88/13/04/1327881304.db2.gz HERARWJHPZOMRM-YZGWKJHDSA-N 2 2 343.515 3.373 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927127407 1327881306 /nfs/dbraw/zinc/88/13/06/1327881306.db2.gz HERARWJHPZOMRM-YZGWKJHDSA-N 2 2 343.515 3.373 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561704 1330126785 /nfs/dbraw/zinc/12/67/85/1330126785.db2.gz JXJJXQIOCNCLGB-QUCCMNQESA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561704 1330126788 /nfs/dbraw/zinc/12/67/88/1330126788.db2.gz JXJJXQIOCNCLGB-QUCCMNQESA-N 2 2 338.536 3.205 10 0 EGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705436 1330142975 /nfs/dbraw/zinc/14/29/75/1330142975.db2.gz ZTSNULONFGMKCF-GOSISDBHSA-N 2 2 335.517 3.044 10 0 EGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705436 1330142977 /nfs/dbraw/zinc/14/29/77/1330142977.db2.gz ZTSNULONFGMKCF-GOSISDBHSA-N 2 2 335.517 3.044 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705180 1330142982 /nfs/dbraw/zinc/14/29/82/1330142982.db2.gz VEAUHZGYSDHYOQ-FOIQADDNSA-N 2 2 347.503 3.109 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705180 1330142983 /nfs/dbraw/zinc/14/29/83/1330142983.db2.gz VEAUHZGYSDHYOQ-FOIQADDNSA-N 2 2 347.503 3.109 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001323946295 1387499222 /nfs/dbraw/zinc/49/92/22/1387499222.db2.gz MHHJWLCCHGJZQJ-AWEZNQCLSA-N 2 2 328.460 3.001 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506718 1387655594 /nfs/dbraw/zinc/65/55/94/1387655594.db2.gz PYZUMTKMDMITCU-YJBOKZPZSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324506718 1387655597 /nfs/dbraw/zinc/65/55/97/1387655597.db2.gz PYZUMTKMDMITCU-YJBOKZPZSA-N 2 2 348.535 3.289 10 0 EGAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001325693233 1388031204 /nfs/dbraw/zinc/03/12/04/1388031204.db2.gz FFEZLNYWUAHRGQ-UHFFFAOYSA-N 2 2 348.450 3.124 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001265630860 1377156666 /nfs/dbraw/zinc/15/66/66/1377156666.db2.gz RHKRFGASPIHJQQ-MRXNPFEDSA-N 2 2 348.535 3.342 10 0 EGAELP C[C@H](F)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226940 1377237173 /nfs/dbraw/zinc/23/71/73/1377237173.db2.gz JRZOOCOEKKUSGX-JKSUJKDBSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@H](F)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226940 1377237175 /nfs/dbraw/zinc/23/71/75/1377237175.db2.gz JRZOOCOEKKUSGX-JKSUJKDBSA-N 2 2 346.450 3.057 10 0 EGAELP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001283218346 1378763441 /nfs/dbraw/zinc/76/34/41/1378763441.db2.gz ZREUVQBNUHZLNF-MRXNPFEDSA-N 2 2 328.460 3.016 10 0 EGAELP CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001283432861 1378923377 /nfs/dbraw/zinc/92/33/77/1378923377.db2.gz AJWMVOKERFBQKQ-KURKYZTESA-N 2 2 340.471 3.149 10 0 EGAELP CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001283432861 1378923379 /nfs/dbraw/zinc/92/33/79/1378923379.db2.gz AJWMVOKERFBQKQ-KURKYZTESA-N 2 2 340.471 3.149 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001284179342 1379568648 /nfs/dbraw/zinc/56/86/48/1379568648.db2.gz MJBZDEJPIRBKAZ-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001284179342 1379568653 /nfs/dbraw/zinc/56/86/53/1379568653.db2.gz MJBZDEJPIRBKAZ-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001284774051 1380198881 /nfs/dbraw/zinc/19/88/81/1380198881.db2.gz MPPGJUOQEAZULR-SNAWJCMRSA-N 2 2 326.444 3.112 10 0 EGAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/C3CCCCCC3)c2)CC1 ZINC001302317720 1383747816 /nfs/dbraw/zinc/74/78/16/1383747816.db2.gz BONYSQIWDIWNGK-CMDGGOBGSA-N 2 2 342.487 3.299 10 0 EGAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\C3CCCCCC3)c2)CC1 ZINC001302317721 1383748111 /nfs/dbraw/zinc/74/81/11/1383748111.db2.gz BONYSQIWDIWNGK-HJWRWDBZSA-N 2 2 342.487 3.299 10 0 EGAELP C[C@@H](C[NH+]1CCOCC1)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001307902278 1384054382 /nfs/dbraw/zinc/05/43/82/1384054382.db2.gz UBMRTOSKQUUVPI-LJQANCHMSA-N 2 2 342.527 3.226 10 0 EGAELP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316702643 1384530128 /nfs/dbraw/zinc/53/01/28/1384530128.db2.gz MTMPPALAOLBYEL-APWZRJJASA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001316805384 1384596753 /nfs/dbraw/zinc/59/67/53/1384596753.db2.gz YNEYKHSYAUYOMT-KRWDZBQOSA-N 2 2 340.471 3.227 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001316805384 1384596756 /nfs/dbraw/zinc/59/67/56/1384596756.db2.gz YNEYKHSYAUYOMT-KRWDZBQOSA-N 2 2 340.471 3.227 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001316874759 1384659898 /nfs/dbraw/zinc/65/98/98/1384659898.db2.gz CWAYKRQYBWFHCN-WBVHZDCISA-N 2 2 334.508 3.138 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001329069901 1388953204 /nfs/dbraw/zinc/95/32/04/1388953204.db2.gz PILZXDQKNFYVBI-DLBZAZTESA-N 2 2 346.519 3.300 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001329071942 1388954153 /nfs/dbraw/zinc/95/41/53/1388954153.db2.gz XFDZJSXVSCFUDG-UONOGXRCSA-N 2 2 326.444 3.160 10 0 EGAELP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC1=CCCCC1 ZINC001317451657 1385150149 /nfs/dbraw/zinc/15/01/49/1385150149.db2.gz PPXZZBWPVTYBLD-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC1=CCCCC1 ZINC001317451657 1385150151 /nfs/dbraw/zinc/15/01/51/1385150151.db2.gz PPXZZBWPVTYBLD-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1C/C=C\Cl)c1ccccc1 ZINC001317511397 1385222266 /nfs/dbraw/zinc/22/22/66/1385222266.db2.gz AHMZBDQDDDDTGW-OCECCIJISA-N 2 2 349.906 3.013 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1C/C=C\Cl)c1ccccc1 ZINC001317511397 1385222270 /nfs/dbraw/zinc/22/22/70/1385222270.db2.gz AHMZBDQDDDDTGW-OCECCIJISA-N 2 2 349.906 3.013 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C/C=C\Cl)c1ccccc1 ZINC001317511397 1385222271 /nfs/dbraw/zinc/22/22/71/1385222271.db2.gz AHMZBDQDDDDTGW-OCECCIJISA-N 2 2 349.906 3.013 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C/C=C\Cl)c1ccccc1 ZINC001317511397 1385222277 /nfs/dbraw/zinc/22/22/77/1385222277.db2.gz AHMZBDQDDDDTGW-OCECCIJISA-N 2 2 349.906 3.013 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319620446 1386214029 /nfs/dbraw/zinc/21/40/29/1386214029.db2.gz OBTVLFCKVGGXLW-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001698636307 1406281957 /nfs/dbraw/zinc/28/19/57/1406281957.db2.gz YPVHEPNSQUNIPX-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC(C)C)[C@H](C)C3)ccn12 ZINC001319683520 1386250494 /nfs/dbraw/zinc/25/04/94/1386250494.db2.gz PNKSFKGYZSKLEZ-QAPCUYQASA-N 2 2 342.487 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3CC[NH2+]CC3CC3)ccn12 ZINC001319752643 1386281493 /nfs/dbraw/zinc/28/14/93/1386281493.db2.gz VPZADSUVUMBOAT-SFHVURJKSA-N 2 2 340.471 3.027 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001319826940 1386320735 /nfs/dbraw/zinc/32/07/35/1386320735.db2.gz ONXIHHDSATURKK-DLBZAZTESA-N 2 2 348.535 3.484 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001320112844 1386521122 /nfs/dbraw/zinc/52/11/22/1386521122.db2.gz WCZZDBMJVKTBMJ-IRXDYDNUSA-N 2 2 346.519 3.046 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001320112844 1386521125 /nfs/dbraw/zinc/52/11/25/1386521125.db2.gz WCZZDBMJVKTBMJ-IRXDYDNUSA-N 2 2 346.519 3.046 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)CC3=CCCCC3)ccn12 ZINC001329442737 1389113002 /nfs/dbraw/zinc/11/30/02/1389113002.db2.gz UDLFSEFQXWJJER-OAHLLOKOSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)CC3=CCCCC3)ccn12 ZINC001329442737 1389113005 /nfs/dbraw/zinc/11/30/05/1389113005.db2.gz UDLFSEFQXWJJER-OAHLLOKOSA-N 2 2 340.471 3.193 10 0 EGAELP CCCC[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001329741427 1389215253 /nfs/dbraw/zinc/21/52/53/1389215253.db2.gz IUJAQZHVDJLNRN-INIZCTEOSA-N 2 2 330.476 3.439 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CC(C)C1 ZINC001329762087 1389221778 /nfs/dbraw/zinc/22/17/78/1389221778.db2.gz UMECXDPQCOHNOI-JCYILVPMSA-N 2 2 348.535 3.196 10 0 EGAELP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001330876428 1389552073 /nfs/dbraw/zinc/55/20/73/1389552073.db2.gz RNXFMIYRJZTYJN-YHTRPRNISA-N 2 2 346.862 3.113 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)n1cc[nH+]c1 ZINC001339443952 1390031015 /nfs/dbraw/zinc/03/10/15/1390031015.db2.gz OGCGBGXCZZDYCJ-GOSISDBHSA-N 2 2 348.535 3.297 10 0 EGAELP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001332823483 1390194480 /nfs/dbraw/zinc/19/44/80/1390194480.db2.gz HSOUJCPOKVADMM-IRXDYDNUSA-N 2 2 348.535 3.002 10 0 EGAELP CCCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332823456 1390194493 /nfs/dbraw/zinc/19/44/93/1390194493.db2.gz GZTJNXZXRCRJMI-FUHWJXTLSA-N 2 2 348.535 3.146 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001332892581 1390210478 /nfs/dbraw/zinc/21/04/78/1390210478.db2.gz LRKRBPONSMHBMZ-SFHVURJKSA-N 2 2 348.535 3.054 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)O1 ZINC001333017004 1390237372 /nfs/dbraw/zinc/23/73/72/1390237372.db2.gz LXSISSNJHLNRTK-RBSFLKMASA-N 2 2 330.350 3.035 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)O1 ZINC001333017004 1390237376 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MBTIJWHTWSRNCM-UHFFFAOYSA-N 2 2 348.450 3.074 10 0 EGAELP C[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccc(C2CC2)cc1 ZINC001731777437 1427896217 /nfs/dbraw/zinc/89/62/17/1427896217.db2.gz MBTIJWHTWSRNCM-UHFFFAOYSA-N 2 2 348.450 3.074 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733603833 1429812638 /nfs/dbraw/zinc/81/26/38/1429812638.db2.gz UXOXJARDQXMGNV-JOGGYFKDSA-N 2 2 344.503 3.109 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733603833 1429812654 /nfs/dbraw/zinc/81/26/54/1429812654.db2.gz UXOXJARDQXMGNV-JOGGYFKDSA-N 2 2 344.503 3.109 10 0 EGAELP CC[C@H](C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1)OC ZINC001733867038 1437694387 /nfs/dbraw/zinc/69/43/87/1437694387.db2.gz VUPRIRLWCFJELJ-QGZVFWFLSA-N 2 2 347.503 3.016 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001733875818 1437702431 /nfs/dbraw/zinc/70/24/31/1437702431.db2.gz QAWSJXBWTZWMSV-QGZVFWFLSA-N 2 2 334.508 3.139 10 0 EGAELP 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1437912210 /nfs/dbraw/zinc/91/22/10/1437912210.db2.gz AUTVEIIZCAURNX-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001734143895 1437912211 /nfs/dbraw/zinc/91/22/11/1437912211.db2.gz AUTVEIIZCAURNX-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001734143895 1437912214 /nfs/dbraw/zinc/91/22/14/1437912214.db2.gz AUTVEIIZCAURNX-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001734143895 1437912215 /nfs/dbraw/zinc/91/22/15/1437912215.db2.gz AUTVEIIZCAURNX-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)CC2(C)C)c[nH+]1 ZINC001734147967 1437915484 /nfs/dbraw/zinc/91/54/84/1437915484.db2.gz MMMAKWFILNHVGX-QGZVFWFLSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCCC(C)C)CC2(C)C)c[nH+]1 ZINC001734147967 1437915485 /nfs/dbraw/zinc/91/54/85/1437915485.db2.gz MMMAKWFILNHVGX-QGZVFWFLSA-N 2 2 348.535 3.189 10 0 EGAELP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001734192536 1437933892 /nfs/dbraw/zinc/93/38/92/1437933892.db2.gz FXXXFVBASICEDZ-IPMKNSEASA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001734192536 1437933894 /nfs/dbraw/zinc/93/38/94/1437933894.db2.gz FXXXFVBASICEDZ-IPMKNSEASA-N 2 2 346.519 3.070 10 0 EGAELP C[NH2+][C@H](CC[NH+]1CCSCC1)c1ccc(Br)cc1 ZINC000053938618 214206693 /nfs/dbraw/zinc/20/66/93/214206693.db2.gz VSYYWDYJUGNTHH-CQSZACIVSA-N 2 2 329.307 3.149 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000186989724 529761319 /nfs/dbraw/zinc/76/13/19/529761319.db2.gz KOXSONLHAWQGDM-KRWDZBQOSA-N 2 2 341.455 3.112 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000186989724 529761320 /nfs/dbraw/zinc/76/13/20/529761320.db2.gz KOXSONLHAWQGDM-KRWDZBQOSA-N 2 2 341.455 3.112 10 0 EGAELP Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917965 213173339 /nfs/dbraw/zinc/17/33/39/213173339.db2.gz UZRQMNMBTIECGK-OLZOCXBDSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917965 213173342 /nfs/dbraw/zinc/17/33/42/213173342.db2.gz UZRQMNMBTIECGK-OLZOCXBDSA-N 2 2 329.307 3.475 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132758174 223360107 /nfs/dbraw/zinc/36/01/07/223360107.db2.gz ZRAJBSGJKOMCQI-HXUWFJFHSA-N 2 2 335.455 3.101 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132758174 223360109 /nfs/dbraw/zinc/36/01/09/223360109.db2.gz ZRAJBSGJKOMCQI-HXUWFJFHSA-N 2 2 335.455 3.101 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247127444 243379567 /nfs/dbraw/zinc/37/95/67/243379567.db2.gz KDTHQPIEVZNYBK-WMLDXEAASA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247127444 243379570 /nfs/dbraw/zinc/37/95/70/243379570.db2.gz KDTHQPIEVZNYBK-WMLDXEAASA-N 2 2 335.398 3.094 10 0 EGAELP Cc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(-c2ccncc2)[nH+]1 ZINC000112073827 220240031 /nfs/dbraw/zinc/24/00/31/220240031.db2.gz IBZNVGHRNQLUOM-UHFFFAOYSA-N 2 2 334.427 3.034 10 0 EGAELP CN1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377666251 169057534 /nfs/dbraw/zinc/05/75/34/169057534.db2.gz BHQDWNHZODFYTD-IRXDYDNUSA-N 2 2 336.842 3.101 10 0 EGAELP C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000012507170 211394345 /nfs/dbraw/zinc/39/43/45/211394345.db2.gz KKLXTPLLIPHWQM-UHFFFAOYSA-N 2 2 338.386 3.082 10 0 EGAELP C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000012507170 211394349 /nfs/dbraw/zinc/39/43/49/211394349.db2.gz KKLXTPLLIPHWQM-UHFFFAOYSA-N 2 2 338.386 3.082 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1OC ZINC000092812621 218170368 /nfs/dbraw/zinc/17/03/68/218170368.db2.gz SLZJQWXLYCAGJN-KRWDZBQOSA-N 2 2 341.455 3.423 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1OC ZINC000092812621 218170371 /nfs/dbraw/zinc/17/03/71/218170371.db2.gz SLZJQWXLYCAGJN-KRWDZBQOSA-N 2 2 341.455 3.423 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812761 218170996 /nfs/dbraw/zinc/17/09/96/218170996.db2.gz DJNPGCAATPWBEG-MRXNPFEDSA-N 2 2 327.428 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812761 218170997 /nfs/dbraw/zinc/17/09/97/218170997.db2.gz DJNPGCAATPWBEG-MRXNPFEDSA-N 2 2 327.428 3.033 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643770 218237783 /nfs/dbraw/zinc/23/77/83/218237783.db2.gz HVFHSCKMMACLAR-ZFWWWQNUSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643770 218237785 /nfs/dbraw/zinc/23/77/85/218237785.db2.gz HVFHSCKMMACLAR-ZFWWWQNUSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643770 218237788 /nfs/dbraw/zinc/23/77/88/218237788.db2.gz HVFHSCKMMACLAR-ZFWWWQNUSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643770 218237790 /nfs/dbraw/zinc/23/77/90/218237790.db2.gz HVFHSCKMMACLAR-ZFWWWQNUSA-N 2 2 338.517 3.340 10 0 EGAELP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cn1 ZINC000095421523 218363387 /nfs/dbraw/zinc/36/33/87/218363387.db2.gz PVZCRUXEGHRWAH-QGZVFWFLSA-N 2 2 341.503 3.217 10 0 EGAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000095421822 218364503 /nfs/dbraw/zinc/36/45/03/218364503.db2.gz BLNXRMXLYSCSRZ-KRWDZBQOSA-N 2 2 339.483 3.363 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000361021626 285029919 /nfs/dbraw/zinc/02/99/19/285029919.db2.gz BMJRLOYJCOEBCA-WBVHZDCISA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000361021626 285029920 /nfs/dbraw/zinc/02/99/20/285029920.db2.gz BMJRLOYJCOEBCA-WBVHZDCISA-N 2 2 338.879 3.254 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ncccc2C)[C@@H]1c1cnn(C)c1 ZINC000328626266 258033225 /nfs/dbraw/zinc/03/32/25/258033225.db2.gz DYVQEDCGCPRQIY-FXAWDEMLSA-N 2 2 341.503 3.029 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ncccc2C)[C@@H]1c1cnn(C)c1 ZINC000328626266 258033227 /nfs/dbraw/zinc/03/32/27/258033227.db2.gz DYVQEDCGCPRQIY-FXAWDEMLSA-N 2 2 341.503 3.029 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ncccc2C)[C@@H]1c1cnn(C)c1 ZINC000328626266 258033228 /nfs/dbraw/zinc/03/32/28/258033228.db2.gz DYVQEDCGCPRQIY-FXAWDEMLSA-N 2 2 341.503 3.029 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ncccc2C)[C@@H]1c1cnn(C)c1 ZINC000328626266 258033230 /nfs/dbraw/zinc/03/32/30/258033230.db2.gz DYVQEDCGCPRQIY-FXAWDEMLSA-N 2 2 341.503 3.029 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237426468 141002165 /nfs/dbraw/zinc/00/21/65/141002165.db2.gz UJUZWOLWQPTDRQ-QGPMSJSTSA-N 2 2 349.906 3.063 10 0 EGAELP COc1cc2c(cc1OC)CC[NH+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000353440313 141296192 /nfs/dbraw/zinc/29/61/92/141296192.db2.gz QHVKBEVAXMIPDY-UHFFFAOYSA-N 2 2 340.467 3.441 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000174891247 144054075 /nfs/dbraw/zinc/05/40/75/144054075.db2.gz VUISVGHORGBIOX-HNNXBMFYSA-N 2 2 339.886 3.081 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)cc[nH+]1 ZINC000184763273 144098968 /nfs/dbraw/zinc/09/89/68/144098968.db2.gz RFJORRPUCHNOFW-HNNXBMFYSA-N 2 2 328.435 3.067 10 0 EGAELP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)n1 ZINC000186589113 144138251 /nfs/dbraw/zinc/13/82/51/144138251.db2.gz NSACTTGLNMUXGY-UHFFFAOYSA-N 2 2 339.487 3.242 10 0 EGAELP CO[C@H](CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C(F)(F)F ZINC000344790652 144224838 /nfs/dbraw/zinc/22/48/38/144224838.db2.gz IAQRBVVWCHHBJI-OAHLLOKOSA-N 2 2 327.350 3.238 10 0 EGAELP CC(C)OC1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373483808 144509960 /nfs/dbraw/zinc/50/99/60/144509960.db2.gz WBWFQILFDZGDQE-UHFFFAOYSA-N 2 2 334.426 3.337 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000189122663 153052349 /nfs/dbraw/zinc/05/23/49/153052349.db2.gz PCJPVWSHUZYXJS-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000189122663 153052353 /nfs/dbraw/zinc/05/23/53/153052353.db2.gz PCJPVWSHUZYXJS-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000108370841 162079726 /nfs/dbraw/zinc/07/97/26/162079726.db2.gz UUCIVRZJWWCNJV-UHFFFAOYSA-N 2 2 334.489 3.193 10 0 EGAELP Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112077772 162162523 /nfs/dbraw/zinc/16/25/23/162162523.db2.gz HUDICXCSBRKRPF-INIZCTEOSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112077772 162162526 /nfs/dbraw/zinc/16/25/26/162162526.db2.gz HUDICXCSBRKRPF-INIZCTEOSA-N 2 2 325.460 3.379 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1Cl ZINC000125549036 162276776 /nfs/dbraw/zinc/27/67/76/162276776.db2.gz OILYZYMGMBQUFV-CQSZACIVSA-N 2 2 332.879 3.124 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1Cl ZINC000125549036 162276779 /nfs/dbraw/zinc/27/67/79/162276779.db2.gz OILYZYMGMBQUFV-CQSZACIVSA-N 2 2 332.879 3.124 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248821115 163036485 /nfs/dbraw/zinc/03/64/85/163036485.db2.gz FRLUYPNKNAHAHK-SJLPKXTDSA-N 2 2 327.476 3.206 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248821115 163036490 /nfs/dbraw/zinc/03/64/90/163036490.db2.gz FRLUYPNKNAHAHK-SJLPKXTDSA-N 2 2 327.476 3.206 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000249213215 163060258 /nfs/dbraw/zinc/06/02/58/163060258.db2.gz YUPDASWMJPCECQ-JTDSTZFVSA-N 2 2 325.456 3.261 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000249213215 163060261 /nfs/dbraw/zinc/06/02/61/163060261.db2.gz YUPDASWMJPCECQ-JTDSTZFVSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C(C)(C)C)no1 ZINC000344219893 164129267 /nfs/dbraw/zinc/12/92/67/164129267.db2.gz YDPIURWYQWLINO-LLVKDONJSA-N 2 2 331.445 3.465 10 0 EGAELP [NH3+]CCCN(Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1F ZINC000346372702 164376218 /nfs/dbraw/zinc/37/62/18/164376218.db2.gz WFMSSXXJULLDOM-UHFFFAOYSA-N 2 2 330.432 3.428 10 0 EGAELP C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346553859 164395781 /nfs/dbraw/zinc/39/57/81/164395781.db2.gz WBVKYYXXQDPGMW-FYSMJZIKSA-N 2 2 339.464 3.331 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)nc1 ZINC000353288206 165712523 /nfs/dbraw/zinc/71/25/23/165712523.db2.gz GSSDEWSXZPXAOS-DZFGPLHGSA-N 2 2 343.515 3.231 10 0 EGAELP COc1ccc2nc(C[NH2+]C3CC([NH+]4CCCCC4)C3)sc2c1 ZINC000355595478 166254936 /nfs/dbraw/zinc/25/49/36/166254936.db2.gz BEYOURMQWJFMRA-UHFFFAOYSA-N 2 2 331.485 3.411 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2)cc1 ZINC000364911402 168000901 /nfs/dbraw/zinc/00/09/01/168000901.db2.gz XKUNXGHZPBOHHL-INIZCTEOSA-N 2 2 344.846 3.436 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000122842011 222170354 /nfs/dbraw/zinc/17/03/54/222170354.db2.gz JQFKLGODLSOVBF-CYBMUJFWSA-N 2 2 335.883 3.232 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000122842011 222170357 /nfs/dbraw/zinc/17/03/57/222170357.db2.gz JQFKLGODLSOVBF-CYBMUJFWSA-N 2 2 335.883 3.232 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1C ZINC000123705381 222321151 /nfs/dbraw/zinc/32/11/51/222321151.db2.gz POUOXTXXUZZQRG-NVXWUHKLSA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1C ZINC000123705381 222321155 /nfs/dbraw/zinc/32/11/55/222321155.db2.gz POUOXTXXUZZQRG-NVXWUHKLSA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123705381 222321159 /nfs/dbraw/zinc/32/11/59/222321159.db2.gz POUOXTXXUZZQRG-NVXWUHKLSA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123705381 222321162 /nfs/dbraw/zinc/32/11/62/222321162.db2.gz POUOXTXXUZZQRG-NVXWUHKLSA-N 2 2 328.456 3.324 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000124047772 222368592 /nfs/dbraw/zinc/36/85/92/222368592.db2.gz LIWRPAWRBDSQGJ-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000124047772 222368595 /nfs/dbraw/zinc/36/85/95/222368595.db2.gz LIWRPAWRBDSQGJ-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047772 222368597 /nfs/dbraw/zinc/36/85/97/222368597.db2.gz LIWRPAWRBDSQGJ-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047772 222368598 /nfs/dbraw/zinc/36/85/98/222368598.db2.gz LIWRPAWRBDSQGJ-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000106216120 275168102 /nfs/dbraw/zinc/16/81/02/275168102.db2.gz LSHADGVEXGCDKN-DAWZGUTISA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000106216120 275168103 /nfs/dbraw/zinc/16/81/03/275168103.db2.gz LSHADGVEXGCDKN-DAWZGUTISA-N 2 2 346.519 3.120 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278707945 275267301 /nfs/dbraw/zinc/26/73/01/275267301.db2.gz LJZFUGSILMDXAL-ACDBMABISA-N 3 2 327.516 3.256 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000278707945 275267302 /nfs/dbraw/zinc/26/73/02/275267302.db2.gz LJZFUGSILMDXAL-ACDBMABISA-N 3 2 327.516 3.256 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279729833 275354060 /nfs/dbraw/zinc/35/40/60/275354060.db2.gz NMOMXOMMVICKTM-GOSISDBHSA-N 2 2 337.458 3.226 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279729833 275354062 /nfs/dbraw/zinc/35/40/62/275354062.db2.gz NMOMXOMMVICKTM-GOSISDBHSA-N 2 2 337.458 3.226 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000340393063 275368224 /nfs/dbraw/zinc/36/82/24/275368224.db2.gz DNYOWXYBJWLSSU-SCZZXKLOSA-N 2 2 338.274 3.368 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000340393063 275368225 /nfs/dbraw/zinc/36/82/25/275368225.db2.gz DNYOWXYBJWLSSU-SCZZXKLOSA-N 2 2 338.274 3.368 10 0 EGAELP COc1cccc(N2CC[C@@H](C[NH2+]CCCc3c[nH+]ccc3C)C2)c1 ZINC000289350713 276326097 /nfs/dbraw/zinc/32/60/97/276326097.db2.gz XHZBYNRKZQUWJQ-SFHVURJKSA-N 2 2 339.483 3.447 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000289414386 276335348 /nfs/dbraw/zinc/33/53/48/276335348.db2.gz PVRZRZOYLFRJTJ-VQTJNVASSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000289414386 276335351 /nfs/dbraw/zinc/33/53/51/276335351.db2.gz PVRZRZOYLFRJTJ-VQTJNVASSA-N 2 2 326.488 3.397 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000338637746 279100621 /nfs/dbraw/zinc/10/06/21/279100621.db2.gz OWWSACUZQIPPAU-SFTDATJTSA-N 2 2 345.531 3.295 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000151259270 307730704 /nfs/dbraw/zinc/73/07/04/307730704.db2.gz TZIAPXOJBKRLDP-STQMWFEESA-N 2 2 331.287 3.491 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414357073 309074901 /nfs/dbraw/zinc/07/49/01/309074901.db2.gz BBTGKDKLPLLRDW-DYXWJJEUSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414357073 309074902 /nfs/dbraw/zinc/07/49/02/309074902.db2.gz BBTGKDKLPLLRDW-DYXWJJEUSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000414402806 309078065 /nfs/dbraw/zinc/07/80/65/309078065.db2.gz ZDNYEWHQOBAQIG-MRXNPFEDSA-N 2 2 342.405 3.168 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000414402806 309078066 /nfs/dbraw/zinc/07/80/66/309078066.db2.gz ZDNYEWHQOBAQIG-MRXNPFEDSA-N 2 2 342.405 3.168 10 0 EGAELP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829864 309104213 /nfs/dbraw/zinc/10/42/13/309104213.db2.gz LGVUOUPRRZBVFJ-AWEZNQCLSA-N 2 2 348.372 3.382 10 0 EGAELP COc1sc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000414831155 309104532 /nfs/dbraw/zinc/10/45/32/309104532.db2.gz MTHZIXISAQXCAD-CYBMUJFWSA-N 2 2 341.274 3.309 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC([NH+](C)C)CC1 ZINC000301348009 308697393 /nfs/dbraw/zinc/69/73/93/308697393.db2.gz KJLWXQVKIHLGPO-UHFFFAOYSA-N 2 2 341.455 3.250 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414939128 309110284 /nfs/dbraw/zinc/11/02/84/309110284.db2.gz WRNUVRPVYAZHCN-DOMZBBRYSA-N 2 2 326.868 3.225 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)[C@H](C)[NH3+] ZINC000415022082 309114775 /nfs/dbraw/zinc/11/47/75/309114775.db2.gz VCPDXTHWLSITAG-QWHCGFSZSA-N 2 2 331.847 3.418 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040029 309115977 /nfs/dbraw/zinc/11/59/77/309115977.db2.gz JOZFACAOUDAMRQ-MLGOLLRUSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040029 309115978 /nfs/dbraw/zinc/11/59/78/309115978.db2.gz JOZFACAOUDAMRQ-MLGOLLRUSA-N 2 2 339.277 3.119 10 0 EGAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@H]2c2ccccc2)[nH+]1 ZINC000415124484 309121987 /nfs/dbraw/zinc/12/19/87/309121987.db2.gz KIBHEWRYSCTLFC-FQEVSTJZSA-N 2 2 332.451 3.078 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358967 309284131 /nfs/dbraw/zinc/28/41/31/309284131.db2.gz FKXVFIIKVCWSBS-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(Cl)c(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358967 309284132 /nfs/dbraw/zinc/28/41/32/309284132.db2.gz FKXVFIIKVCWSBS-INIZCTEOSA-N 2 2 329.271 3.448 10 0 EGAELP CC(C)COC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420904324 309300188 /nfs/dbraw/zinc/30/01/88/309300188.db2.gz PQKVYHPPGXBBRV-UHFFFAOYSA-N 2 2 346.515 3.156 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H](C)c1c[nH+]ccc1N)O[C@H](C)C2 ZINC000422778015 309367926 /nfs/dbraw/zinc/36/79/26/309367926.db2.gz GUOTVECSERPHOX-CHWSQXEVSA-N 2 2 327.428 3.067 10 0 EGAELP CCC(CC)(CCO)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422815164 309370044 /nfs/dbraw/zinc/37/00/44/309370044.db2.gz XCXBNGGNVCYDRY-OALUTQOASA-N 2 2 334.504 3.267 10 0 EGAELP Clc1ccc(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422824849 309370423 /nfs/dbraw/zinc/37/04/23/309370423.db2.gz ORPROYJDYHXYEQ-DLBZAZTESA-N 2 2 343.298 3.283 10 0 EGAELP CCOc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1OC(F)F ZINC000422876097 309373475 /nfs/dbraw/zinc/37/34/75/309373475.db2.gz PUOQQYCOTOEWJI-LLVKDONJSA-N 2 2 337.370 3.345 10 0 EGAELP CCc1nc(CC[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cs1 ZINC000422905604 309375555 /nfs/dbraw/zinc/37/55/55/309375555.db2.gz SOKWAZQJJLKUGA-IEBWSBKVSA-N 2 2 345.512 3.340 10 0 EGAELP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907523 309375609 /nfs/dbraw/zinc/37/56/09/309375609.db2.gz LLWCPRGRUZKLTC-VKQJQLINSA-N 3 2 327.516 3.302 10 0 EGAELP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907523 309375610 /nfs/dbraw/zinc/37/56/10/309375610.db2.gz LLWCPRGRUZKLTC-VKQJQLINSA-N 3 2 327.516 3.302 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913325 309376072 /nfs/dbraw/zinc/37/60/72/309376072.db2.gz YGOLVWSAEXEDTE-UXDRXVOSSA-N 3 2 336.483 3.340 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913325 309376073 /nfs/dbraw/zinc/37/60/73/309376073.db2.gz YGOLVWSAEXEDTE-UXDRXVOSSA-N 3 2 336.483 3.340 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422939360 309377228 /nfs/dbraw/zinc/37/72/28/309377228.db2.gz RFGFGTACUYWVGV-JTQLQIEISA-N 2 2 336.233 3.116 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997137 309380150 /nfs/dbraw/zinc/38/01/50/309380150.db2.gz ANWUGPNXSZYEMC-FHWLQOOXSA-N 2 2 334.504 3.121 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423053040 309383260 /nfs/dbraw/zinc/38/32/60/309383260.db2.gz RVIQYAJGQNLOSF-TUFLPTIASA-N 2 2 344.499 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ncccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423160568 309388872 /nfs/dbraw/zinc/38/88/72/309388872.db2.gz ZSRHWZGCGXDDAZ-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP [NH3+]CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423196580 309390156 /nfs/dbraw/zinc/39/01/56/309390156.db2.gz VPWJUWSQMFTRIO-GOSISDBHSA-N 2 2 332.831 3.139 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000423291438 309394188 /nfs/dbraw/zinc/39/41/88/309394188.db2.gz IHPNURHJDUVMMD-VBKZILBWSA-N 2 2 338.430 3.458 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(Br)c1 ZINC000423390335 309398469 /nfs/dbraw/zinc/39/84/69/309398469.db2.gz KANFZSCZNJCKDE-PGUXBMHVSA-N 2 2 327.266 3.106 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000424142999 309430628 /nfs/dbraw/zinc/43/06/28/309430628.db2.gz JGKVQKICLADOOL-INIZCTEOSA-N 2 2 332.835 3.013 10 0 EGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427895738 309537700 /nfs/dbraw/zinc/53/77/00/309537700.db2.gz UHONKCDTXUXIJV-DZGCQCFKSA-N 2 2 335.398 3.410 10 0 EGAELP C[C@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449078239 310035280 /nfs/dbraw/zinc/03/52/80/310035280.db2.gz XMFLLPIJWJIPAJ-GOSISDBHSA-N 2 2 327.472 3.013 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449203767 310044343 /nfs/dbraw/zinc/04/43/43/310044343.db2.gz KWDRZVWKBVBKSG-HZPDHXFCSA-N 2 2 341.503 3.113 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392871 310058391 /nfs/dbraw/zinc/05/83/91/310058391.db2.gz LJEGMLVOTNHJJR-KBPBESRZSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccccc1C(F)(F)F ZINC000449392871 310058392 /nfs/dbraw/zinc/05/83/92/310058392.db2.gz LJEGMLVOTNHJJR-KBPBESRZSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397600 310058663 /nfs/dbraw/zinc/05/86/63/310058663.db2.gz QWKTXJNSARSWEV-WMLDXEAASA-N 2 2 344.421 3.245 10 0 EGAELP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397600 310058664 /nfs/dbraw/zinc/05/86/64/310058664.db2.gz QWKTXJNSARSWEV-WMLDXEAASA-N 2 2 344.421 3.245 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452345 310063175 /nfs/dbraw/zinc/06/31/75/310063175.db2.gz KMVIEPDUIMVZCO-OKZBNKHCSA-N 2 2 331.485 3.449 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452345 310063176 /nfs/dbraw/zinc/06/31/76/310063176.db2.gz KMVIEPDUIMVZCO-OKZBNKHCSA-N 2 2 331.485 3.449 10 0 EGAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452789865 310241969 /nfs/dbraw/zinc/24/19/69/310241969.db2.gz DIGHMHKPDKZMAR-KBPBESRZSA-N 2 2 326.444 3.112 10 0 EGAELP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)ccc2c1 ZINC000453251571 310266884 /nfs/dbraw/zinc/26/68/84/310266884.db2.gz AXFPUIYVRPAEDN-JXFKEZNVSA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCCC[N@H+]3CCO)ccc2c1 ZINC000453251571 310266885 /nfs/dbraw/zinc/26/68/85/310266885.db2.gz AXFPUIYVRPAEDN-JXFKEZNVSA-N 2 2 342.483 3.346 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000459667908 310567643 /nfs/dbraw/zinc/56/76/43/310567643.db2.gz SRROWZJJIJLPIG-CQSZACIVSA-N 2 2 338.224 3.141 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)Cc2ccccc2C1 ZINC000474028827 310783800 /nfs/dbraw/zinc/78/38/00/310783800.db2.gz GJOPLSHNCQNUAN-PWRODBHTSA-N 2 2 342.527 3.271 10 0 EGAELP C[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)[C@H]1CC1(C)C ZINC000487276244 311018627 /nfs/dbraw/zinc/01/86/27/311018627.db2.gz JPECAQIVBXWGPT-GOEBONIOSA-N 2 2 342.487 3.284 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060390 311162847 /nfs/dbraw/zinc/16/28/47/311162847.db2.gz WVLCIWRSYWEAKQ-UXHICEINSA-N 2 2 349.563 3.366 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060390 311162848 /nfs/dbraw/zinc/16/28/48/311162848.db2.gz WVLCIWRSYWEAKQ-UXHICEINSA-N 2 2 349.563 3.366 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291245 312181814 /nfs/dbraw/zinc/18/18/14/312181814.db2.gz GMAAQPQCDVSAOB-FPOVZHCZSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291245 312181816 /nfs/dbraw/zinc/18/18/16/312181816.db2.gz GMAAQPQCDVSAOB-FPOVZHCZSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291245 312181819 /nfs/dbraw/zinc/18/18/19/312181819.db2.gz GMAAQPQCDVSAOB-FPOVZHCZSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291245 312181821 /nfs/dbraw/zinc/18/18/21/312181821.db2.gz GMAAQPQCDVSAOB-FPOVZHCZSA-N 2 2 344.499 3.172 10 0 EGAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1=O ZINC000514665380 312237245 /nfs/dbraw/zinc/23/72/45/312237245.db2.gz ALFXZEFQGCXFLL-KRWDZBQOSA-N 2 2 344.503 3.004 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000514762334 312243905 /nfs/dbraw/zinc/24/39/05/312243905.db2.gz XXTIQPKIDBSCFG-STQMWFEESA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000514762334 312243907 /nfs/dbraw/zinc/24/39/07/312243907.db2.gz XXTIQPKIDBSCFG-STQMWFEESA-N 2 2 346.862 3.236 10 0 EGAELP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528585229 313124391 /nfs/dbraw/zinc/12/43/91/313124391.db2.gz ZNYGHKDNTBYPGV-UHFFFAOYSA-N 2 2 343.475 3.187 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936600 315111546 /nfs/dbraw/zinc/11/15/46/315111546.db2.gz NCOUYANSRUQBIG-QMTHXVAHSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936600 315111549 /nfs/dbraw/zinc/11/15/49/315111549.db2.gz NCOUYANSRUQBIG-QMTHXVAHSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000551898726 315176216 /nfs/dbraw/zinc/17/62/16/315176216.db2.gz OYRLWFHSFCNGJI-KBPBESRZSA-N 2 2 344.484 3.089 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000551898726 315176219 /nfs/dbraw/zinc/17/62/19/315176219.db2.gz OYRLWFHSFCNGJI-KBPBESRZSA-N 2 2 344.484 3.089 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821361 316075529 /nfs/dbraw/zinc/07/55/29/316075529.db2.gz SKXMYAPHMGSKOT-WEWVYDFXSA-N 2 2 343.515 3.018 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821361 316075531 /nfs/dbraw/zinc/07/55/31/316075531.db2.gz SKXMYAPHMGSKOT-WEWVYDFXSA-N 2 2 343.515 3.018 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987028 316241532 /nfs/dbraw/zinc/24/15/32/316241532.db2.gz MFIGXZAJIXPDBX-LIRRHRJNSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987028 316241537 /nfs/dbraw/zinc/24/15/37/316241537.db2.gz MFIGXZAJIXPDBX-LIRRHRJNSA-N 2 2 344.434 3.321 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nc(-c2cccc(F)c2)no1 ZINC000565821370 316374540 /nfs/dbraw/zinc/37/45/40/316374540.db2.gz CISBDHWXTYUETA-KKBVYLPWSA-N 2 2 344.434 3.447 10 0 EGAELP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)C1 ZINC000570056532 317002133 /nfs/dbraw/zinc/00/21/33/317002133.db2.gz HKKLLLNAFSQJSF-INIZCTEOSA-N 2 2 329.488 3.199 10 0 EGAELP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)C1 ZINC000570056532 317002137 /nfs/dbraw/zinc/00/21/37/317002137.db2.gz HKKLLLNAFSQJSF-INIZCTEOSA-N 2 2 329.488 3.199 10 0 EGAELP CCC(CC)(C[NH2+]C[C@@H](O)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000572029042 317281056 /nfs/dbraw/zinc/28/10/56/317281056.db2.gz NWFNJEISJGRUSD-UKRRQHHQSA-N 2 2 332.410 3.409 10 0 EGAELP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000171502494 323238394 /nfs/dbraw/zinc/23/83/94/323238394.db2.gz DPEYZYOGFHUTSL-INIZCTEOSA-N 2 2 334.460 3.154 10 0 EGAELP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000171502494 323238398 /nfs/dbraw/zinc/23/83/98/323238398.db2.gz DPEYZYOGFHUTSL-INIZCTEOSA-N 2 2 334.460 3.154 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177286646 323338590 /nfs/dbraw/zinc/33/85/90/323338590.db2.gz XLALITNNKMHYQR-BBRMVZONSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177286646 323338594 /nfs/dbraw/zinc/33/85/94/323338594.db2.gz XLALITNNKMHYQR-BBRMVZONSA-N 2 2 341.293 3.211 10 0 EGAELP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc21 ZINC000181781997 323503644 /nfs/dbraw/zinc/50/36/44/323503644.db2.gz ATTYCUKVLIDRIY-JKSUJKDBSA-N 2 2 346.471 3.450 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000579408126 325104298 /nfs/dbraw/zinc/10/42/98/325104298.db2.gz RTCRFHLUONOXGP-HNNXBMFYSA-N 2 2 326.425 3.202 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CCOC(C)C)c(C)c1 ZINC000579463542 325114170 /nfs/dbraw/zinc/11/41/70/325114170.db2.gz YNBGWHLLFAPCIK-AZUAARDMSA-N 2 2 345.487 3.007 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000580183105 325214561 /nfs/dbraw/zinc/21/45/61/325214561.db2.gz TWEJUAJYAIVKLN-OXJNMPFZSA-N 2 2 331.504 3.138 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582944958 325482452 /nfs/dbraw/zinc/48/24/52/325482452.db2.gz YOKJQEQPNMDRAO-SJLPKXTDSA-N 2 2 339.487 3.100 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673693 455224857 /nfs/dbraw/zinc/22/48/57/455224857.db2.gz UEBGKVUNPFZNDF-GJZGRUSLSA-N 2 2 328.460 3.216 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000173345604 455270038 /nfs/dbraw/zinc/27/00/38/455270038.db2.gz VBBDAHYXQJPXTG-BBRMVZONSA-N 2 2 330.394 3.203 10 0 EGAELP O=C(OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1)c1ccccc1 ZINC000000173906 452527369 /nfs/dbraw/zinc/52/73/69/452527369.db2.gz BYTHBFNSDDDNAA-UHFFFAOYSA-N 2 2 330.472 3.184 10 0 EGAELP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833705 460576215 /nfs/dbraw/zinc/57/62/15/460576215.db2.gz GRAGHHIGEQBBIA-IBGZPJMESA-N 2 2 329.488 3.016 10 0 EGAELP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833705 460576224 /nfs/dbraw/zinc/57/62/24/460576224.db2.gz GRAGHHIGEQBBIA-IBGZPJMESA-N 2 2 329.488 3.016 10 0 EGAELP C[C@H]1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573544 455334213 /nfs/dbraw/zinc/33/42/13/455334213.db2.gz HEESNEORVWWPMF-GXTWGEPZSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573544 455334217 /nfs/dbraw/zinc/33/42/17/455334217.db2.gz HEESNEORVWWPMF-GXTWGEPZSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573544 455334219 /nfs/dbraw/zinc/33/42/19/455334219.db2.gz HEESNEORVWWPMF-GXTWGEPZSA-N 2 2 329.429 3.078 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510700 460589386 /nfs/dbraw/zinc/58/93/86/460589386.db2.gz HJYGGVMBROYOCK-FHERZECASA-N 3 2 347.469 3.254 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887358 460590182 /nfs/dbraw/zinc/59/01/82/460590182.db2.gz QQJDZCVHGGPVJK-WIYYLYMNSA-N 2 2 349.478 3.366 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887358 460590187 /nfs/dbraw/zinc/59/01/87/460590187.db2.gz QQJDZCVHGGPVJK-WIYYLYMNSA-N 2 2 349.478 3.366 10 0 EGAELP COc1cc2c(c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000245683436 455355635 /nfs/dbraw/zinc/35/56/35/455355635.db2.gz ACNCSXPIYKJOMV-KBXCAEBGSA-N 2 2 341.455 3.188 10 0 EGAELP COc1cc2c(c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000245683436 455355642 /nfs/dbraw/zinc/35/56/42/455355642.db2.gz ACNCSXPIYKJOMV-KBXCAEBGSA-N 2 2 341.455 3.188 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629546631 460803078 /nfs/dbraw/zinc/80/30/78/460803078.db2.gz UXCZZWKMLNAIRQ-BJKJVOPESA-N 2 2 339.277 3.009 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1OCC1CC1 ZINC000083962420 453962571 /nfs/dbraw/zinc/96/25/71/453962571.db2.gz IXNGKGZTRNZJKY-KRWDZBQOSA-N 2 2 341.455 3.348 10 0 EGAELP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000181939286 455401896 /nfs/dbraw/zinc/40/18/96/455401896.db2.gz BKXSISPUMCKJIE-AWEZNQCLSA-N 2 2 335.411 3.077 10 0 EGAELP CCc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000182024478 455419400 /nfs/dbraw/zinc/41/94/00/455419400.db2.gz WCOJQIXKPOCLRS-UHFFFAOYSA-N 2 2 346.519 3.047 10 0 EGAELP CCc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000182024478 455419403 /nfs/dbraw/zinc/41/94/03/455419403.db2.gz WCOJQIXKPOCLRS-UHFFFAOYSA-N 2 2 346.519 3.047 10 0 EGAELP COc1ccccc1/C=C/C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000071924545 454259723 /nfs/dbraw/zinc/25/97/23/454259723.db2.gz IITQNYNBEAMZET-SOFGYWHQSA-N 2 2 337.467 3.358 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266728242 455443635 /nfs/dbraw/zinc/44/36/35/455443635.db2.gz IXTLMCUYPKPSNC-UHFFFAOYSA-N 2 2 326.444 3.099 10 0 EGAELP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)c3nccs3)CC[N@@H+]2C)cc1 ZINC000097032851 454390376 /nfs/dbraw/zinc/39/03/76/454390376.db2.gz SIKDNZQPNFSBAU-FRFSOERESA-N 2 2 331.485 3.495 10 0 EGAELP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)c3nccs3)CC[N@H+]2C)cc1 ZINC000097032851 454390377 /nfs/dbraw/zinc/39/03/77/454390377.db2.gz SIKDNZQPNFSBAU-FRFSOERESA-N 2 2 331.485 3.495 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000133074582 454390815 /nfs/dbraw/zinc/39/08/15/454390815.db2.gz VPOHNYWSKMVWKL-INIZCTEOSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000133074582 454390821 /nfs/dbraw/zinc/39/08/21/454390821.db2.gz VPOHNYWSKMVWKL-INIZCTEOSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]1 ZINC000097200840 454423373 /nfs/dbraw/zinc/42/33/73/454423373.db2.gz SYOKFUCKQPUOEF-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]1 ZINC000097200840 454423385 /nfs/dbraw/zinc/42/33/85/454423385.db2.gz SYOKFUCKQPUOEF-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000134901298 454605299 /nfs/dbraw/zinc/60/52/99/454605299.db2.gz FJHWEPDPSGHZLL-OXQOHEQNSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000134901298 454605306 /nfs/dbraw/zinc/60/53/06/454605306.db2.gz FJHWEPDPSGHZLL-OXQOHEQNSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccccc12 ZINC000134901298 454605312 /nfs/dbraw/zinc/60/53/12/454605312.db2.gz FJHWEPDPSGHZLL-OXQOHEQNSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000134901298 454605319 /nfs/dbraw/zinc/60/53/19/454605319.db2.gz FJHWEPDPSGHZLL-OXQOHEQNSA-N 2 2 336.483 3.387 10 0 EGAELP CC[NH+](CC)CCN(CCC(F)(F)F)c1cc[nH+]c(C2CC2)n1 ZINC000135130534 454637489 /nfs/dbraw/zinc/63/74/89/454637489.db2.gz USUYSLOMONMENZ-UHFFFAOYSA-N 2 2 330.398 3.455 10 0 EGAELP c1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]nc1-c1ccccc1 ZINC000092812989 454638311 /nfs/dbraw/zinc/63/83/11/454638311.db2.gz IUPBHUCYTOCFPT-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP c1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]nc1-c1ccccc1 ZINC000092812989 454638314 /nfs/dbraw/zinc/63/83/14/454638314.db2.gz IUPBHUCYTOCFPT-MRXNPFEDSA-N 2 2 333.439 3.406 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933758 454650677 /nfs/dbraw/zinc/65/06/77/454650677.db2.gz ZVIKTPUFKCJJRL-CYBMUJFWSA-N 2 2 343.456 3.333 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933758 454650681 /nfs/dbraw/zinc/65/06/81/454650681.db2.gz ZVIKTPUFKCJJRL-CYBMUJFWSA-N 2 2 343.456 3.333 10 0 EGAELP CC[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863590 454660893 /nfs/dbraw/zinc/66/08/93/454660893.db2.gz ZGBOVSWKIQASEF-FQEVSTJZSA-N 2 2 326.488 3.431 10 0 EGAELP CC[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863590 454660899 /nfs/dbraw/zinc/66/08/99/454660899.db2.gz ZGBOVSWKIQASEF-FQEVSTJZSA-N 2 2 326.488 3.431 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000105897686 454666130 /nfs/dbraw/zinc/66/61/30/454666130.db2.gz QHEQTJJFSFEKBL-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2OC)C1 ZINC000105897686 454666136 /nfs/dbraw/zinc/66/61/36/454666136.db2.gz QHEQTJJFSFEKBL-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000105896968 454666566 /nfs/dbraw/zinc/66/65/66/454666566.db2.gz WGKFJPXCRFVOCM-CQSZACIVSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000105896968 454666567 /nfs/dbraw/zinc/66/65/67/454666567.db2.gz WGKFJPXCRFVOCM-CQSZACIVSA-N 2 2 343.456 3.394 10 0 EGAELP Cc1nc2[nH]ccc2c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081019292 454672419 /nfs/dbraw/zinc/67/24/19/454672419.db2.gz LPIHPZFPVMSOHV-KRWDZBQOSA-N 2 2 335.455 3.225 10 0 EGAELP Cc1nc2[nH]ccc2c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081019292 454672428 /nfs/dbraw/zinc/67/24/28/454672428.db2.gz LPIHPZFPVMSOHV-KRWDZBQOSA-N 2 2 335.455 3.225 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096183 454684754 /nfs/dbraw/zinc/68/47/54/454684754.db2.gz RGQDQTYVLWKTBQ-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096183 454684768 /nfs/dbraw/zinc/68/47/68/454684768.db2.gz RGQDQTYVLWKTBQ-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096183 454684774 /nfs/dbraw/zinc/68/47/74/454684774.db2.gz RGQDQTYVLWKTBQ-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096183 454684779 /nfs/dbraw/zinc/68/47/79/454684779.db2.gz RGQDQTYVLWKTBQ-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CCc1ccc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)s1 ZINC000124252270 454709591 /nfs/dbraw/zinc/70/95/91/454709591.db2.gz ZTXITEIUENDEHH-UHFFFAOYSA-N 2 2 346.544 3.413 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000152816321 454728596 /nfs/dbraw/zinc/72/85/96/454728596.db2.gz QSUROBHNLGNKJC-UHFFFAOYSA-N 2 2 344.406 3.350 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)c(F)c2)nc[nH+]1 ZINC000124570232 454748453 /nfs/dbraw/zinc/74/84/53/454748453.db2.gz CHKVUTUKCNQFHS-JSGCOSHPSA-N 2 2 347.413 3.116 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154511630 454903211 /nfs/dbraw/zinc/90/32/11/454903211.db2.gz JCFKLFHMYZGPAH-QAPCUYQASA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154511630 454903214 /nfs/dbraw/zinc/90/32/14/454903214.db2.gz JCFKLFHMYZGPAH-QAPCUYQASA-N 2 2 332.492 3.305 10 0 EGAELP COc1ccccc1NC1CC[NH+](Cc2c[nH+]ccc2N(C)C)CC1 ZINC000170595383 454937809 /nfs/dbraw/zinc/93/78/09/454937809.db2.gz FEGAUIKEDKDYDC-UHFFFAOYSA-N 2 2 340.471 3.233 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000246465318 455494603 /nfs/dbraw/zinc/49/46/03/455494603.db2.gz OFUPTOZWVRLHRY-RDJZCZTQSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000246465318 455494605 /nfs/dbraw/zinc/49/46/05/455494605.db2.gz OFUPTOZWVRLHRY-RDJZCZTQSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c(C)nc2s1 ZINC000246465318 455494608 /nfs/dbraw/zinc/49/46/08/455494608.db2.gz OFUPTOZWVRLHRY-RDJZCZTQSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(C)nc2s1 ZINC000246465318 455494611 /nfs/dbraw/zinc/49/46/11/455494611.db2.gz OFUPTOZWVRLHRY-RDJZCZTQSA-N 2 2 344.528 3.461 10 0 EGAELP C[N@H+](CC(=O)NC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481299 454956853 /nfs/dbraw/zinc/95/68/53/454956853.db2.gz XNFNEMNWPXHXAD-UHFFFAOYSA-N 2 2 343.515 3.032 10 0 EGAELP C[N@@H+](CC(=O)NC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481299 454956856 /nfs/dbraw/zinc/95/68/56/454956856.db2.gz XNFNEMNWPXHXAD-UHFFFAOYSA-N 2 2 343.515 3.032 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151279793 454962700 /nfs/dbraw/zinc/96/27/00/454962700.db2.gz LPCZHHNUHOURHO-UKRRQHHQSA-N 2 2 326.481 3.045 10 0 EGAELP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151279131 454962752 /nfs/dbraw/zinc/96/27/52/454962752.db2.gz XLPNUTAXGUSQNO-GOEBONIOSA-N 2 2 340.895 3.236 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717235 454972658 /nfs/dbraw/zinc/97/26/58/454972658.db2.gz HPHTVMZLDILSLV-AWEZNQCLSA-N 2 2 333.867 3.019 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717235 454972662 /nfs/dbraw/zinc/97/26/62/454972662.db2.gz HPHTVMZLDILSLV-AWEZNQCLSA-N 2 2 333.867 3.019 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CNc4ccccc43)CC2)nc1 ZINC000635023860 460660029 /nfs/dbraw/zinc/66/00/29/460660029.db2.gz STTGDYIMDFOVLL-QGZVFWFLSA-N 2 2 336.483 3.235 10 0 EGAELP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152107629 455073568 /nfs/dbraw/zinc/07/35/68/455073568.db2.gz IEBAIXLSYWFLDD-OAQYLSRUSA-N 2 2 335.451 3.279 10 0 EGAELP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128879253 455089088 /nfs/dbraw/zinc/08/90/88/455089088.db2.gz AQKBWNLCHBDXIC-LEWJYISDSA-N 2 2 326.484 3.007 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129556500 455116087 /nfs/dbraw/zinc/11/60/87/455116087.db2.gz CSIHYAZNYSNNSM-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129556500 455116090 /nfs/dbraw/zinc/11/60/90/455116090.db2.gz CSIHYAZNYSNNSM-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000156446503 455119069 /nfs/dbraw/zinc/11/90/69/455119069.db2.gz OHTLMZCWXLTSNM-OWCLPIDISA-N 2 2 339.524 3.094 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000156446503 455119072 /nfs/dbraw/zinc/11/90/72/455119072.db2.gz OHTLMZCWXLTSNM-OWCLPIDISA-N 2 2 339.524 3.094 10 0 EGAELP c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015047 455183344 /nfs/dbraw/zinc/18/33/44/455183344.db2.gz GZVDCZPUDGKJBI-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015047 455183347 /nfs/dbraw/zinc/18/33/47/455183347.db2.gz GZVDCZPUDGKJBI-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000180572436 455200172 /nfs/dbraw/zinc/20/01/72/455200172.db2.gz VUYMYSDLXRBDHK-ZIAGYGMSSA-N 2 2 331.489 3.208 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245201143 455280673 /nfs/dbraw/zinc/28/06/73/455280673.db2.gz OUDMKWLHLGRLRE-UHOSZYNNSA-N 2 2 339.439 3.178 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245201143 455280674 /nfs/dbraw/zinc/28/06/74/455280674.db2.gz OUDMKWLHLGRLRE-UHOSZYNNSA-N 2 2 339.439 3.178 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000245425364 455295310 /nfs/dbraw/zinc/29/53/10/455295310.db2.gz KQMIGJZGFBLYFS-LMMKCTJWSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000245425364 455295313 /nfs/dbraw/zinc/29/53/13/455295313.db2.gz KQMIGJZGFBLYFS-LMMKCTJWSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000245425364 455295315 /nfs/dbraw/zinc/29/53/15/455295315.db2.gz KQMIGJZGFBLYFS-LMMKCTJWSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000245425364 455295316 /nfs/dbraw/zinc/29/53/16/455295316.db2.gz KQMIGJZGFBLYFS-LMMKCTJWSA-N 2 2 343.515 3.016 10 0 EGAELP Cc1ccc(F)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478473 455328598 /nfs/dbraw/zinc/32/85/98/455328598.db2.gz HNWVZYOUENFLTR-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1ccc(F)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478473 455328600 /nfs/dbraw/zinc/32/86/00/455328600.db2.gz HNWVZYOUENFLTR-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478473 455328609 /nfs/dbraw/zinc/32/86/09/455328609.db2.gz HNWVZYOUENFLTR-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000245706439 455360117 /nfs/dbraw/zinc/36/01/17/455360117.db2.gz FEKWHBABNJBJOM-LMMKCTJWSA-N 2 2 331.504 3.005 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000245706439 455360122 /nfs/dbraw/zinc/36/01/22/455360122.db2.gz FEKWHBABNJBJOM-LMMKCTJWSA-N 2 2 331.504 3.005 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000174285817 455376851 /nfs/dbraw/zinc/37/68/51/455376851.db2.gz OUCIGBOKZWQFON-IRXDYDNUSA-N 2 2 325.460 3.228 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000246130299 455432669 /nfs/dbraw/zinc/43/26/69/455432669.db2.gz KUVCZUDMPUJBML-YJBOKZPZSA-N 2 2 347.890 3.251 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000246130299 455432676 /nfs/dbraw/zinc/43/26/76/455432676.db2.gz KUVCZUDMPUJBML-YJBOKZPZSA-N 2 2 347.890 3.251 10 0 EGAELP c1ccc(COCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000182402448 455506561 /nfs/dbraw/zinc/50/65/61/455506561.db2.gz KMJHZADFDYUOIG-LJQANCHMSA-N 2 2 325.456 3.422 10 0 EGAELP c1ccc(COCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000182402448 455506566 /nfs/dbraw/zinc/50/65/66/455506566.db2.gz KMJHZADFDYUOIG-LJQANCHMSA-N 2 2 325.456 3.422 10 0 EGAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000247382979 455593644 /nfs/dbraw/zinc/59/36/44/455593644.db2.gz PWFKNGHOTQWCPO-HNAYVOBHSA-N 2 2 339.439 3.332 10 0 EGAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000247382979 455593648 /nfs/dbraw/zinc/59/36/48/455593648.db2.gz PWFKNGHOTQWCPO-HNAYVOBHSA-N 2 2 339.439 3.332 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000283823794 455599933 /nfs/dbraw/zinc/59/99/33/455599933.db2.gz FVBNJCJINIIPAH-MRXNPFEDSA-N 2 2 332.879 3.016 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000283823794 455599935 /nfs/dbraw/zinc/59/99/35/455599935.db2.gz FVBNJCJINIIPAH-MRXNPFEDSA-N 2 2 332.879 3.016 10 0 EGAELP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247444203 455601098 /nfs/dbraw/zinc/60/10/98/455601098.db2.gz IXBKUADGRJBBSL-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247444203 455601101 /nfs/dbraw/zinc/60/11/01/455601101.db2.gz IXBKUADGRJBBSL-RHSMWYFYSA-N 2 2 346.862 3.448 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C12CCOCC2 ZINC000186294247 455736348 /nfs/dbraw/zinc/73/63/48/455736348.db2.gz TTYNGRNZJGRPGR-SLFFLAALSA-N 2 2 346.515 3.162 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)n2c1 ZINC000269344140 455839448 /nfs/dbraw/zinc/83/94/48/455839448.db2.gz HPAPFMMIRZKKAX-OAHLLOKOSA-N 2 2 331.485 3.177 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285502149 455859608 /nfs/dbraw/zinc/85/96/08/455859608.db2.gz FEQZTIYFGZZYKR-SUMWQHHRSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285502149 455859609 /nfs/dbraw/zinc/85/96/09/455859609.db2.gz FEQZTIYFGZZYKR-SUMWQHHRSA-N 2 2 347.846 3.406 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374571 455929996 /nfs/dbraw/zinc/92/99/96/455929996.db2.gz CPQFOGVBAPFPPD-GXTWGEPZSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374571 455930002 /nfs/dbraw/zinc/93/00/02/455930002.db2.gz CPQFOGVBAPFPPD-GXTWGEPZSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374571 455930008 /nfs/dbraw/zinc/93/00/08/455930008.db2.gz CPQFOGVBAPFPPD-GXTWGEPZSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374571 455930015 /nfs/dbraw/zinc/93/00/15/455930015.db2.gz CPQFOGVBAPFPPD-GXTWGEPZSA-N 2 2 326.282 3.006 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2)cc1 ZINC000270468043 455962257 /nfs/dbraw/zinc/96/22/57/455962257.db2.gz MVWZIUGMMKXEMX-MRXNPFEDSA-N 2 2 344.846 3.436 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202147 456000025 /nfs/dbraw/zinc/00/00/25/456000025.db2.gz RJAJSPOVCVYCMR-SCWSEQNSSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202147 456000032 /nfs/dbraw/zinc/00/00/32/456000032.db2.gz RJAJSPOVCVYCMR-SCWSEQNSSA-N 2 2 347.466 3.363 10 0 EGAELP COC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272745280 456059002 /nfs/dbraw/zinc/05/90/02/456059002.db2.gz BQBGBIMABFDDRP-MRXNPFEDSA-N 2 2 330.394 3.381 10 0 EGAELP CCn1cc[nH+]c1[C@@H](C)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000296926283 456068809 /nfs/dbraw/zinc/06/88/09/456068809.db2.gz PUDOAGSOPIBUTL-MRXNPFEDSA-N 2 2 327.476 3.218 10 0 EGAELP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865346 456161353 /nfs/dbraw/zinc/16/13/53/456161353.db2.gz WBZMJLMLPOCTAI-KGLIPLIRSA-N 2 2 346.500 3.109 10 0 EGAELP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865346 456161356 /nfs/dbraw/zinc/16/13/56/456161356.db2.gz WBZMJLMLPOCTAI-KGLIPLIRSA-N 2 2 346.500 3.109 10 0 EGAELP C[C@@H]1C[N@@H+]([C@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000301885456 456241503 /nfs/dbraw/zinc/24/15/03/456241503.db2.gz OQIPXFBMPZZQIH-CZUORRHYSA-N 2 2 342.468 3.498 10 0 EGAELP C[C@@H]1C[N@H+]([C@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000301885456 456241512 /nfs/dbraw/zinc/24/15/12/456241512.db2.gz OQIPXFBMPZZQIH-CZUORRHYSA-N 2 2 342.468 3.498 10 0 EGAELP CCc1c(C)[nH+]c2ccccc2c1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000302037652 456272863 /nfs/dbraw/zinc/27/28/63/456272863.db2.gz MKVRKRVLAODGOG-UHFFFAOYSA-N 2 2 349.482 3.161 10 0 EGAELP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2nccn2C)CC1 ZINC000302037652 456272864 /nfs/dbraw/zinc/27/28/64/456272864.db2.gz MKVRKRVLAODGOG-UHFFFAOYSA-N 2 2 349.482 3.161 10 0 EGAELP CC(C)[NH+]1CCC(Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623810400 460725805 /nfs/dbraw/zinc/72/58/05/460725805.db2.gz XJBHQASNDBZLIN-UHFFFAOYSA-N 2 2 337.471 3.282 10 0 EGAELP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000275791951 456315184 /nfs/dbraw/zinc/31/51/84/456315184.db2.gz SIVMRBYIQKDAKF-MWCIEHAPSA-N 2 2 342.462 3.026 10 0 EGAELP CCC[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000342943293 456327555 /nfs/dbraw/zinc/32/75/55/456327555.db2.gz PMOXSPGQKMOOPC-IBGZPJMESA-N 2 2 326.488 3.122 10 0 EGAELP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)F)n1 ZINC000281912739 456359365 /nfs/dbraw/zinc/35/93/65/456359365.db2.gz CHRDWQNZYAEMRB-ZDUSSCGKSA-N 2 2 349.429 3.270 10 0 EGAELP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)F)n1 ZINC000281912739 456359371 /nfs/dbraw/zinc/35/93/71/456359371.db2.gz CHRDWQNZYAEMRB-ZDUSSCGKSA-N 2 2 349.429 3.270 10 0 EGAELP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347845296 456401799 /nfs/dbraw/zinc/40/17/99/456401799.db2.gz MAOIKSUBNSIDSH-INIZCTEOSA-N 2 2 345.512 3.420 10 0 EGAELP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347845296 456401804 /nfs/dbraw/zinc/40/18/04/456401804.db2.gz MAOIKSUBNSIDSH-INIZCTEOSA-N 2 2 345.512 3.420 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000302817644 456408178 /nfs/dbraw/zinc/40/81/78/456408178.db2.gz IVIKZKNIVKRYEU-PXNSSMCTSA-N 2 2 337.471 3.324 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000302817644 456408186 /nfs/dbraw/zinc/40/81/86/456408186.db2.gz IVIKZKNIVKRYEU-PXNSSMCTSA-N 2 2 337.471 3.324 10 0 EGAELP CC(C)Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282209710 456443235 /nfs/dbraw/zinc/44/32/35/456443235.db2.gz XVQDEPNGBFYBKP-OAHLLOKOSA-N 2 2 343.475 3.181 10 0 EGAELP CC(C)Cc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282209710 456443244 /nfs/dbraw/zinc/44/32/44/456443244.db2.gz XVQDEPNGBFYBKP-OAHLLOKOSA-N 2 2 343.475 3.181 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203949 456557386 /nfs/dbraw/zinc/55/73/86/456557386.db2.gz CEYUEFWIJLWLMP-XHDPSFHLSA-N 2 2 336.277 3.013 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203949 456557387 /nfs/dbraw/zinc/55/73/87/456557387.db2.gz CEYUEFWIJLWLMP-XHDPSFHLSA-N 2 2 336.277 3.013 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000665267166 462376447 /nfs/dbraw/zinc/37/64/47/462376447.db2.gz QTKLCYCQOMUEST-VIFPVBQESA-N 2 2 326.263 3.477 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320176 462476550 /nfs/dbraw/zinc/47/65/50/462476550.db2.gz PJJCUMRKKJKAFI-MJGOQNOKSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320176 462476553 /nfs/dbraw/zinc/47/65/53/462476553.db2.gz PJJCUMRKKJKAFI-MJGOQNOKSA-N 2 2 338.499 3.373 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH+]2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000343519101 456677389 /nfs/dbraw/zinc/67/73/89/456677389.db2.gz COXDWTHHBSKQNS-QGZVFWFLSA-N 2 2 326.488 3.422 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292086768 456851151 /nfs/dbraw/zinc/85/11/51/456851151.db2.gz GJEFVQVVXIIYSU-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292086768 456851155 /nfs/dbraw/zinc/85/11/55/456851155.db2.gz GJEFVQVVXIIYSU-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292086768 456851158 /nfs/dbraw/zinc/85/11/58/456851158.db2.gz GJEFVQVVXIIYSU-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292086768 456851162 /nfs/dbraw/zinc/85/11/62/456851162.db2.gz GJEFVQVVXIIYSU-RDTXWAMCSA-N 2 2 335.879 3.003 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162861 456873528 /nfs/dbraw/zinc/87/35/28/456873528.db2.gz OTBOECCCGUPZNX-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162861 456873533 /nfs/dbraw/zinc/87/35/33/456873533.db2.gz OTBOECCCGUPZNX-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162861 456873537 /nfs/dbraw/zinc/87/35/37/456873537.db2.gz OTBOECCCGUPZNX-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292162861 456873544 /nfs/dbraw/zinc/87/35/44/456873544.db2.gz OTBOECCCGUPZNX-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071845 456926922 /nfs/dbraw/zinc/92/69/22/456926922.db2.gz SOXJTRAWKUFPFI-NRSPTQNISA-N 2 2 346.515 3.101 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071845 456926926 /nfs/dbraw/zinc/92/69/26/456926926.db2.gz SOXJTRAWKUFPFI-NRSPTQNISA-N 2 2 346.515 3.101 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000346229787 457026293 /nfs/dbraw/zinc/02/62/93/457026293.db2.gz WCJHFVQNFMCRHH-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000346229787 457026299 /nfs/dbraw/zinc/02/62/99/457026299.db2.gz WCJHFVQNFMCRHH-UHFFFAOYSA-N 2 2 340.377 3.412 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000358913596 457034210 /nfs/dbraw/zinc/03/42/10/457034210.db2.gz IFJDPBLJDPXAGL-JBACZVJFSA-N 2 2 336.483 3.466 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000358913596 457034222 /nfs/dbraw/zinc/03/42/22/457034222.db2.gz IFJDPBLJDPXAGL-JBACZVJFSA-N 2 2 336.483 3.466 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226870 457143806 /nfs/dbraw/zinc/14/38/06/457143806.db2.gz XSHMQISLDMNCNQ-GDBMZVCRSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226870 457143812 /nfs/dbraw/zinc/14/38/12/457143812.db2.gz XSHMQISLDMNCNQ-GDBMZVCRSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354226870 457143820 /nfs/dbraw/zinc/14/38/20/457143820.db2.gz XSHMQISLDMNCNQ-GDBMZVCRSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354226870 457143825 /nfs/dbraw/zinc/14/38/25/457143825.db2.gz XSHMQISLDMNCNQ-GDBMZVCRSA-N 2 2 332.467 3.500 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000347204339 457287556 /nfs/dbraw/zinc/28/75/56/457287556.db2.gz MWVFKXDQXNCOGZ-NRFANRHFSA-N 2 2 348.450 3.118 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000347204339 457287563 /nfs/dbraw/zinc/28/75/63/457287563.db2.gz MWVFKXDQXNCOGZ-NRFANRHFSA-N 2 2 348.450 3.118 10 0 EGAELP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254044 457312335 /nfs/dbraw/zinc/31/23/35/457312335.db2.gz GEJMVOLOQVEVHJ-OWCLPIDISA-N 2 2 328.460 3.202 10 0 EGAELP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254044 457312340 /nfs/dbraw/zinc/31/23/40/457312340.db2.gz GEJMVOLOQVEVHJ-OWCLPIDISA-N 2 2 328.460 3.202 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700600 457439205 /nfs/dbraw/zinc/43/92/05/457439205.db2.gz SZBINCTUYIEEFZ-ZMWHVPEISA-N 3 2 327.516 3.302 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700600 457439210 /nfs/dbraw/zinc/43/92/10/457439210.db2.gz SZBINCTUYIEEFZ-ZMWHVPEISA-N 3 2 327.516 3.302 10 0 EGAELP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361002520 457501817 /nfs/dbraw/zinc/50/18/17/457501817.db2.gz KDCUQIRVJPNNFC-OAHLLOKOSA-N 2 2 335.455 3.335 10 0 EGAELP Clc1ccc(-c2noc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)cc1 ZINC000374197531 457517268 /nfs/dbraw/zinc/51/72/68/457517268.db2.gz HFHHBCLZGMGEGW-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP COc1ccc(-c2nc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)co2)cc1 ZINC000374200093 457518985 /nfs/dbraw/zinc/51/89/85/457518985.db2.gz NYBVYEKDYACRDX-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP COc1ccc(-c2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)co2)cc1 ZINC000374200093 457518990 /nfs/dbraw/zinc/51/89/90/457518990.db2.gz NYBVYEKDYACRDX-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP c1[nH]c(C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)c[nH+]1 ZINC000374209630 457522892 /nfs/dbraw/zinc/52/28/92/457522892.db2.gz QPQNWSOPUAYYCQ-UHFFFAOYSA-N 2 2 339.468 3.411 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209304 457523958 /nfs/dbraw/zinc/52/39/58/457523958.db2.gz PPIZEIFNCXSAMT-UHFFFAOYSA-N 2 2 327.428 3.391 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000374253032 457545017 /nfs/dbraw/zinc/54/50/17/457545017.db2.gz CVPFMXVNBKPEPD-BHYGNILZSA-N 2 2 337.533 3.025 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000374253032 457545024 /nfs/dbraw/zinc/54/50/24/457545024.db2.gz CVPFMXVNBKPEPD-BHYGNILZSA-N 2 2 337.533 3.025 10 0 EGAELP CSCc1cc(F)ccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757976 457585707 /nfs/dbraw/zinc/58/57/07/457585707.db2.gz WUQJCPCEYLXCIS-UHFFFAOYSA-N 2 2 339.505 3.497 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@@H](C)[C@H]3C)c2cc1C ZINC000409467360 457599981 /nfs/dbraw/zinc/59/99/81/457599981.db2.gz JQDGRBVBNPBSML-BNEJOLLZSA-N 2 2 329.488 3.380 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@@H](C)[C@H]3C)c2cc1C ZINC000409467360 457599986 /nfs/dbraw/zinc/59/99/86/457599986.db2.gz JQDGRBVBNPBSML-BNEJOLLZSA-N 2 2 329.488 3.380 10 0 EGAELP COCC[C@@]1([NH2+]CCCCCn2c(C)[nH+]c3ccccc32)CCOC1 ZINC000361373152 457710474 /nfs/dbraw/zinc/71/04/74/457710474.db2.gz ARWAENOHAFXXBZ-HXUWFJFHSA-N 2 2 345.487 3.300 10 0 EGAELP CCO[C@@H]1COCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361381762 457712773 /nfs/dbraw/zinc/71/27/73/457712773.db2.gz QAXCABITINCSMQ-UYAOXDASSA-N 2 2 345.487 3.299 10 0 EGAELP COC[C@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000361394838 457716560 /nfs/dbraw/zinc/71/65/60/457716560.db2.gz IRUHZKWKLQXECV-SJLPKXTDSA-N 2 2 345.487 3.251 10 0 EGAELP COC[C@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000361394838 457716562 /nfs/dbraw/zinc/71/65/62/457716562.db2.gz IRUHZKWKLQXECV-SJLPKXTDSA-N 2 2 345.487 3.251 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000358088886 457779418 /nfs/dbraw/zinc/77/94/18/457779418.db2.gz REJMGMJNNNSHJO-LPHOPBHVSA-N 2 2 340.467 3.314 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000358088886 457779420 /nfs/dbraw/zinc/77/94/20/457779420.db2.gz REJMGMJNNNSHJO-LPHOPBHVSA-N 2 2 340.467 3.314 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361863245 457915169 /nfs/dbraw/zinc/91/51/69/457915169.db2.gz UPDSQXJZFDGKEK-OALUTQOASA-N 2 2 325.456 3.429 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361863245 457915179 /nfs/dbraw/zinc/91/51/79/457915179.db2.gz UPDSQXJZFDGKEK-OALUTQOASA-N 2 2 325.456 3.429 10 0 EGAELP Fc1cncc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000375522253 457959381 /nfs/dbraw/zinc/95/93/81/457959381.db2.gz GMSUPKQJJOGIKQ-IBGZPJMESA-N 2 2 326.419 3.325 10 0 EGAELP c1cc(Sc2ccccn2)oc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367934188 457999366 /nfs/dbraw/zinc/99/93/66/457999366.db2.gz NVTGRALPOSJEJI-GFCCVEGCSA-N 2 2 326.425 3.196 10 0 EGAELP c1cc(Sc2ccccn2)oc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367934188 457999372 /nfs/dbraw/zinc/99/93/72/457999372.db2.gz NVTGRALPOSJEJI-GFCCVEGCSA-N 2 2 326.425 3.196 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000445817953 458093846 /nfs/dbraw/zinc/09/38/46/458093846.db2.gz HVFJEYWKABIUSK-MJGOQNOKSA-N 2 2 326.488 3.236 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000445817953 458093853 /nfs/dbraw/zinc/09/38/53/458093853.db2.gz HVFJEYWKABIUSK-MJGOQNOKSA-N 2 2 326.488 3.236 10 0 EGAELP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000369344592 458181357 /nfs/dbraw/zinc/18/13/57/458181357.db2.gz PLXXCFQSRASSBS-OAHLLOKOSA-N 2 2 326.444 3.031 10 0 EGAELP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000369344592 458181367 /nfs/dbraw/zinc/18/13/67/458181367.db2.gz PLXXCFQSRASSBS-OAHLLOKOSA-N 2 2 326.444 3.031 10 0 EGAELP CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372394165 458299633 /nfs/dbraw/zinc/29/96/33/458299633.db2.gz KQKMZOJJXWJJFQ-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372394165 458299638 /nfs/dbraw/zinc/29/96/38/458299638.db2.gz KQKMZOJJXWJJFQ-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP C[C@@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000369661135 458306969 /nfs/dbraw/zinc/30/69/69/458306969.db2.gz OZACVMMJCLVOGH-SFHVURJKSA-N 2 2 349.563 3.269 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c1)O[C@H](C)C2 ZINC000376493392 458316688 /nfs/dbraw/zinc/31/66/88/458316688.db2.gz VWHYGVIAHLCWBO-CYBMUJFWSA-N 2 2 327.428 3.121 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH+]1CCCCCC1)C2 ZINC000376682672 458368020 /nfs/dbraw/zinc/36/80/20/458368020.db2.gz VYYIUKVUZKYQRI-INIZCTEOSA-N 2 2 346.519 3.020 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)CC2 ZINC000376682672 458368023 /nfs/dbraw/zinc/36/80/23/458368023.db2.gz VYYIUKVUZKYQRI-INIZCTEOSA-N 2 2 346.519 3.020 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438730 458371085 /nfs/dbraw/zinc/37/10/85/458371085.db2.gz JMALLBLCZWGZBI-FKBYEOEOSA-N 2 2 335.495 3.296 10 0 EGAELP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438730 458371089 /nfs/dbraw/zinc/37/10/89/458371089.db2.gz JMALLBLCZWGZBI-FKBYEOEOSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438730 458371093 /nfs/dbraw/zinc/37/10/93/458371093.db2.gz JMALLBLCZWGZBI-FKBYEOEOSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438730 458371099 /nfs/dbraw/zinc/37/10/99/458371099.db2.gz JMALLBLCZWGZBI-FKBYEOEOSA-N 2 2 335.495 3.296 10 0 EGAELP CC(C)(C)[NH+]1CCC([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000459695686 458450406 /nfs/dbraw/zinc/45/04/06/458450406.db2.gz LPJVGUGSTIIIKW-GOEBONIOSA-N 2 2 338.517 3.174 10 0 EGAELP COCCCOc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000377230415 458493578 /nfs/dbraw/zinc/49/35/78/458493578.db2.gz BAEGYCNBVRIGPR-UHFFFAOYSA-N 2 2 329.444 3.205 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCOCC1 ZINC000373485860 458506580 /nfs/dbraw/zinc/50/65/80/458506580.db2.gz PPOICLWHJNFTOK-UWTIGNOOSA-N 2 2 334.426 3.196 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377791404 458529694 /nfs/dbraw/zinc/52/96/94/458529694.db2.gz ZRLZVGOQULWBQG-LBPRGKRZSA-N 2 2 337.370 3.057 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377791404 458529698 /nfs/dbraw/zinc/52/96/98/458529698.db2.gz ZRLZVGOQULWBQG-LBPRGKRZSA-N 2 2 337.370 3.057 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355067 458561159 /nfs/dbraw/zinc/56/11/59/458561159.db2.gz YFNWEUHCDHCJAV-UYAOXDASSA-N 2 2 344.499 3.089 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355067 458561166 /nfs/dbraw/zinc/56/11/66/458561166.db2.gz YFNWEUHCDHCJAV-UYAOXDASSA-N 2 2 344.499 3.089 10 0 EGAELP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179083 458709735 /nfs/dbraw/zinc/70/97/35/458709735.db2.gz SQWWZWMLKHZFNS-HXUWFJFHSA-N 2 2 332.451 3.400 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000530216180 458719371 /nfs/dbraw/zinc/71/93/71/458719371.db2.gz NOIDXYLBDOKDQQ-RCCFBDPRSA-N 2 2 334.891 3.304 10 0 EGAELP c1cc(-c2ccccc2)sc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000530214941 458719819 /nfs/dbraw/zinc/71/98/19/458719819.db2.gz ZBORYQYVAJUSCG-IEBWSBKVSA-N 2 2 328.481 3.272 10 0 EGAELP COc1cccc2c(N3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000440641381 458836480 /nfs/dbraw/zinc/83/64/80/458836480.db2.gz ABCZZYHZVFTTSY-WMZOPIPTSA-N 2 2 343.496 3.259 10 0 EGAELP C[C@@H](O)C[N@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441256333 458907231 /nfs/dbraw/zinc/90/72/31/458907231.db2.gz GMNZGTFZKYFLBA-JKSUJKDBSA-N 2 2 335.879 3.241 10 0 EGAELP C[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441256333 458907234 /nfs/dbraw/zinc/90/72/34/458907234.db2.gz GMNZGTFZKYFLBA-JKSUJKDBSA-N 2 2 335.879 3.241 10 0 EGAELP c1nc(-c2ccccn2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556404308 458958404 /nfs/dbraw/zinc/95/84/04/458958404.db2.gz PGCRQADSPJBFBA-UHFFFAOYSA-N 2 2 325.441 3.028 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946333 459004711 /nfs/dbraw/zinc/00/47/11/459004711.db2.gz YVPZJIXPVWMNNQ-HTAPYJJXSA-N 3 2 337.511 3.455 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946333 459004712 /nfs/dbraw/zinc/00/47/12/459004712.db2.gz YVPZJIXPVWMNNQ-HTAPYJJXSA-N 3 2 337.511 3.455 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970020 459009193 /nfs/dbraw/zinc/00/91/93/459009193.db2.gz YIYMURNPVGATAL-DENIHFKCSA-N 3 2 343.559 3.261 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970020 459009197 /nfs/dbraw/zinc/00/91/97/459009197.db2.gz YIYMURNPVGATAL-DENIHFKCSA-N 3 2 343.559 3.261 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970021 459009804 /nfs/dbraw/zinc/00/98/04/459009804.db2.gz YIYMURNPVGATAL-KNQAVFIVSA-N 3 2 343.559 3.261 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970021 459009811 /nfs/dbraw/zinc/00/98/11/459009811.db2.gz YIYMURNPVGATAL-KNQAVFIVSA-N 3 2 343.559 3.261 10 0 EGAELP CC(C)[C@H]1CC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000556893419 459027818 /nfs/dbraw/zinc/02/78/18/459027818.db2.gz ZQWOGFBNYRQAOD-SJORKVTESA-N 2 2 342.487 3.284 10 0 EGAELP CC(C)[C@@H]1CC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000556893416 459028628 /nfs/dbraw/zinc/02/86/28/459028628.db2.gz ZQWOGFBNYRQAOD-DLBZAZTESA-N 2 2 342.487 3.284 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235625 459052536 /nfs/dbraw/zinc/05/25/36/459052536.db2.gz IBAHQGGKWIDKHL-XNRPHZJLSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235625 459052542 /nfs/dbraw/zinc/05/25/42/459052542.db2.gz IBAHQGGKWIDKHL-XNRPHZJLSA-N 2 2 330.394 3.403 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488281 459098828 /nfs/dbraw/zinc/09/88/28/459098828.db2.gz LTXGXJZUPVICBD-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488281 459098830 /nfs/dbraw/zinc/09/88/30/459098830.db2.gz LTXGXJZUPVICBD-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C4)cc3)[nH+]c12 ZINC000521358840 459144076 /nfs/dbraw/zinc/14/40/76/459144076.db2.gz BNKGKVYWLVOLRP-MRXNPFEDSA-N 2 2 334.423 3.200 10 0 EGAELP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@H+](C)C4)cc3)[nH+]c12 ZINC000521358840 459144084 /nfs/dbraw/zinc/14/40/84/459144084.db2.gz BNKGKVYWLVOLRP-MRXNPFEDSA-N 2 2 334.423 3.200 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000481048328 459229509 /nfs/dbraw/zinc/22/95/09/459229509.db2.gz LPCSAANOQABQKD-XJKCOSOUSA-N 2 2 325.294 3.310 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000481048328 459229513 /nfs/dbraw/zinc/22/95/13/459229513.db2.gz LPCSAANOQABQKD-XJKCOSOUSA-N 2 2 325.294 3.310 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851589 459178212 /nfs/dbraw/zinc/17/82/12/459178212.db2.gz QQQHLELCKINORJ-FQEVSTJZSA-N 3 2 327.516 3.258 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851589 459178214 /nfs/dbraw/zinc/17/82/14/459178214.db2.gz QQQHLELCKINORJ-FQEVSTJZSA-N 3 2 327.516 3.258 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590727261 459196749 /nfs/dbraw/zinc/19/67/49/459196749.db2.gz BWXRSJCNNQMNRG-LJQANCHMSA-N 2 2 340.471 3.202 10 0 EGAELP C[C@@H](CSCCF)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000595023168 459219005 /nfs/dbraw/zinc/21/90/05/459219005.db2.gz SSVFFQRXSZARCR-GJZGRUSLSA-N 2 2 325.497 3.288 10 0 EGAELP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CSCCF ZINC000595025331 459219686 /nfs/dbraw/zinc/21/96/86/459219686.db2.gz GAIYQZGCPCUVRM-OAHLLOKOSA-N 2 2 325.497 3.250 10 0 EGAELP Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081846 459307355 /nfs/dbraw/zinc/30/73/55/459307355.db2.gz AINPOXJBJAVELW-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081846 459307360 /nfs/dbraw/zinc/30/73/60/459307360.db2.gz AINPOXJBJAVELW-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591866822 459457613 /nfs/dbraw/zinc/45/76/13/459457613.db2.gz GRPKSCDFRUWNME-IRXDYDNUSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591866822 459457617 /nfs/dbraw/zinc/45/76/17/459457617.db2.gz GRPKSCDFRUWNME-IRXDYDNUSA-N 2 2 326.444 3.164 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000527793265 459738140 /nfs/dbraw/zinc/73/81/40/459738140.db2.gz XOOHACOLYNKXLP-NEPJUHHUSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000527793265 459738142 /nfs/dbraw/zinc/73/81/42/459738142.db2.gz XOOHACOLYNKXLP-NEPJUHHUSA-N 2 2 345.231 3.444 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)c1 ZINC000544408106 459756584 /nfs/dbraw/zinc/75/65/84/459756584.db2.gz QFCMIHWFTBIXRL-QGZVFWFLSA-N 2 2 325.456 3.091 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849979 459757832 /nfs/dbraw/zinc/75/78/32/459757832.db2.gz JPLZXCRNNABCCR-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849979 459757840 /nfs/dbraw/zinc/75/78/40/459757840.db2.gz JPLZXCRNNABCCR-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP Cc1nc(N2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000544759935 459782275 /nfs/dbraw/zinc/78/22/75/459782275.db2.gz XKCYZZMJJNNQLS-UHFFFAOYSA-N 2 2 346.862 3.030 10 0 EGAELP CC(C)C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000585121092 459826780 /nfs/dbraw/zinc/82/67/80/459826780.db2.gz FVEKNTGCRFHUMA-GOSISDBHSA-N 2 2 328.460 3.213 10 0 EGAELP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588689306 459970341 /nfs/dbraw/zinc/97/03/41/459970341.db2.gz YJBZSOUYIBPFMS-FQEVSTJZSA-N 2 2 342.483 3.010 10 0 EGAELP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588689306 459970350 /nfs/dbraw/zinc/97/03/50/459970350.db2.gz YJBZSOUYIBPFMS-FQEVSTJZSA-N 2 2 342.483 3.010 10 0 EGAELP CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689306 459970356 /nfs/dbraw/zinc/97/03/56/459970356.db2.gz YJBZSOUYIBPFMS-FQEVSTJZSA-N 2 2 342.483 3.010 10 0 EGAELP CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689306 459970362 /nfs/dbraw/zinc/97/03/62/459970362.db2.gz YJBZSOUYIBPFMS-FQEVSTJZSA-N 2 2 342.483 3.010 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717776 460022295 /nfs/dbraw/zinc/02/22/95/460022295.db2.gz NQDOVKYVSBZNTO-UYAOXDASSA-N 2 2 340.515 3.430 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717776 460022300 /nfs/dbraw/zinc/02/23/00/460022300.db2.gz NQDOVKYVSBZNTO-UYAOXDASSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717776 460022307 /nfs/dbraw/zinc/02/23/07/460022307.db2.gz NQDOVKYVSBZNTO-UYAOXDASSA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717776 460022313 /nfs/dbraw/zinc/02/23/13/460022313.db2.gz NQDOVKYVSBZNTO-UYAOXDASSA-N 2 2 340.515 3.430 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000575873124 460022844 /nfs/dbraw/zinc/02/28/44/460022844.db2.gz HMTUZDVTQZYLSG-UHFFFAOYSA-N 2 2 345.512 3.319 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000589190486 460049330 /nfs/dbraw/zinc/04/93/30/460049330.db2.gz SAZWFUZSXHGSPN-GOSISDBHSA-N 2 2 332.488 3.363 10 0 EGAELP COC(=O)CCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000589190486 460049338 /nfs/dbraw/zinc/04/93/38/460049338.db2.gz SAZWFUZSXHGSPN-GOSISDBHSA-N 2 2 332.488 3.363 10 0 EGAELP Cc1nn2c(C[NH2+][C@H](C[NH3+])C3CCCCC3)c(C(C)C)nc2s1 ZINC000576089758 460067173 /nfs/dbraw/zinc/06/71/73/460067173.db2.gz DAWAPOYXPATBGT-CQSZACIVSA-N 2 2 335.521 3.220 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621904684 460109463 /nfs/dbraw/zinc/10/94/63/460109463.db2.gz XKBROBNZIREEIQ-ZDUSSCGKSA-N 2 2 337.427 3.059 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000626087783 460365975 /nfs/dbraw/zinc/36/59/75/460365975.db2.gz BKCZFIVNZRFPJY-UHFFFAOYSA-N 2 2 328.500 3.252 10 0 EGAELP Cc1cc(C)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000631529287 460427669 /nfs/dbraw/zinc/42/76/69/460427669.db2.gz DTYKEZBCMJXOHQ-UHFFFAOYSA-N 2 2 349.544 3.045 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362798 460511369 /nfs/dbraw/zinc/51/13/69/460511369.db2.gz LFSIEPIUIZTRFB-LJQANCHMSA-N 3 2 333.495 3.253 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362798 460511374 /nfs/dbraw/zinc/51/13/74/460511374.db2.gz LFSIEPIUIZTRFB-LJQANCHMSA-N 3 2 333.495 3.253 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000634810231 460531437 /nfs/dbraw/zinc/53/14/37/460531437.db2.gz QDLKVCMRSBXCNF-HUUCEWRRSA-N 2 2 325.460 3.051 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000634811352 460532712 /nfs/dbraw/zinc/53/27/12/460532712.db2.gz BYWLQXCYYWDSTB-OAHLLOKOSA-N 2 2 325.460 3.051 10 0 EGAELP CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959613 460784610 /nfs/dbraw/zinc/78/46/10/460784610.db2.gz LLFNITSBECHYSE-QRVBRYPASA-N 2 2 349.563 3.218 10 0 EGAELP CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959613 460784615 /nfs/dbraw/zinc/78/46/15/460784615.db2.gz LLFNITSBECHYSE-QRVBRYPASA-N 2 2 349.563 3.218 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000629516740 460791296 /nfs/dbraw/zinc/79/12/96/460791296.db2.gz ONRFHDOVJPMXEB-KSSFIOAISA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000629516740 460791300 /nfs/dbraw/zinc/79/13/00/460791300.db2.gz ONRFHDOVJPMXEB-KSSFIOAISA-N 2 2 329.419 3.445 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656453 460851371 /nfs/dbraw/zinc/85/13/71/460851371.db2.gz OVPOFCKRTIJHIQ-AAEUAGOBSA-N 2 2 335.439 3.301 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656453 460851376 /nfs/dbraw/zinc/85/13/76/460851376.db2.gz OVPOFCKRTIJHIQ-AAEUAGOBSA-N 2 2 335.439 3.301 10 0 EGAELP CCN(C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617555158 460904023 /nfs/dbraw/zinc/90/40/23/460904023.db2.gz QPNHXKPEQFKOBQ-QGZVFWFLSA-N 2 2 339.439 3.349 10 0 EGAELP CCN(C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555158 460904029 /nfs/dbraw/zinc/90/40/29/460904029.db2.gz QPNHXKPEQFKOBQ-QGZVFWFLSA-N 2 2 339.439 3.349 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC1CC1 ZINC000628157273 461022420 /nfs/dbraw/zinc/02/24/20/461022420.db2.gz BGOYYLGRMCICDR-UHFFFAOYSA-N 2 2 327.428 3.339 10 0 EGAELP COC1CC[NH+](C2(C[NH2+]C[C@@]3(C)CCCS3)CCCC2)CC1 ZINC000628217397 461053184 /nfs/dbraw/zinc/05/31/84/461053184.db2.gz VLAVHDUWHMVOGO-QGZVFWFLSA-N 2 2 326.550 3.285 10 0 EGAELP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000628217999 461053235 /nfs/dbraw/zinc/05/32/35/461053235.db2.gz PYRZGZAGRUTHFZ-UHFFFAOYSA-N 2 2 325.412 3.498 10 0 EGAELP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000628217999 461053237 /nfs/dbraw/zinc/05/32/37/461053237.db2.gz PYRZGZAGRUTHFZ-UHFFFAOYSA-N 2 2 325.412 3.498 10 0 EGAELP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256938 461144788 /nfs/dbraw/zinc/14/47/88/461144788.db2.gz KNTPPDZWXZKQKI-PMACEKPBSA-N 2 2 328.431 3.225 10 0 EGAELP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256938 461144791 /nfs/dbraw/zinc/14/47/91/461144791.db2.gz KNTPPDZWXZKQKI-PMACEKPBSA-N 2 2 328.431 3.225 10 0 EGAELP c1ccc(N2CC[C@@H](C[N@@H+]3CCCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637995999 461181356 /nfs/dbraw/zinc/18/13/56/461181356.db2.gz KYXBONGTKJJBJC-FPOVZHCZSA-N 2 2 327.516 3.463 10 0 EGAELP c1ccc(N2CC[C@@H](C[N@H+]3CCCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637995999 461181363 /nfs/dbraw/zinc/18/13/63/461181363.db2.gz KYXBONGTKJJBJC-FPOVZHCZSA-N 2 2 327.516 3.463 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000662318988 461190424 /nfs/dbraw/zinc/19/04/24/461190424.db2.gz IJQVVIHEUREOKV-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000662318988 461190433 /nfs/dbraw/zinc/19/04/33/461190433.db2.gz IJQVVIHEUREOKV-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000655741685 461406685 /nfs/dbraw/zinc/40/66/85/461406685.db2.gz ARRSXJKQGSEHQO-IBGZPJMESA-N 2 2 335.455 3.027 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CCO1 ZINC000668784342 461433475 /nfs/dbraw/zinc/43/34/75/461433475.db2.gz BLWGZLZOSWKGMS-HNNXBMFYSA-N 2 2 342.886 3.454 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CCO1 ZINC000668784342 461433483 /nfs/dbraw/zinc/43/34/83/461433483.db2.gz BLWGZLZOSWKGMS-HNNXBMFYSA-N 2 2 342.886 3.454 10 0 EGAELP FC1(F)C[C@]12CC[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908656 461445229 /nfs/dbraw/zinc/44/52/29/461445229.db2.gz UDGDCUGBIIGCEQ-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908656 461445239 /nfs/dbraw/zinc/44/52/39/461445239.db2.gz UDGDCUGBIIGCEQ-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908656 461445248 /nfs/dbraw/zinc/44/52/48/461445248.db2.gz UDGDCUGBIIGCEQ-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908656 461445260 /nfs/dbraw/zinc/44/52/60/461445260.db2.gz UDGDCUGBIIGCEQ-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000655810938 461468779 /nfs/dbraw/zinc/46/87/79/461468779.db2.gz PEOQXAGFLPGIJM-XLIONFOSSA-N 2 2 339.483 3.399 10 0 EGAELP COc1c(C)cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000655810938 461468781 /nfs/dbraw/zinc/46/87/81/461468781.db2.gz PEOQXAGFLPGIJM-XLIONFOSSA-N 2 2 339.483 3.399 10 0 EGAELP Cc1c([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)nnn1-c1ccc(C)cc1 ZINC000666152693 461476936 /nfs/dbraw/zinc/47/69/36/461476936.db2.gz ZHNOYEVGXCFIEU-HNNXBMFYSA-N 2 2 346.438 3.383 10 0 EGAELP Cc1ccc(N2CCC(c3nc([C@H]([NH3+])CC(C)C)no3)CC2)[nH+]c1 ZINC000647132101 461515279 /nfs/dbraw/zinc/51/52/79/461515279.db2.gz OFFDAQMTMQQNHN-OAHLLOKOSA-N 2 2 329.448 3.203 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000631085390 461534719 /nfs/dbraw/zinc/53/47/19/461534719.db2.gz TYOBDEHKRLXVGP-HXUWFJFHSA-N 2 2 349.482 3.490 10 0 EGAELP C[N@@H+]1CCCC12CCN(c1nc(N3CCCC(C)(C)C3)cc[nH+]1)CC2 ZINC000656151854 461627479 /nfs/dbraw/zinc/62/74/79/461627479.db2.gz LHRSALMHABSNCU-UHFFFAOYSA-N 2 2 343.519 3.168 10 0 EGAELP C[N@H+]1CCCC12CCN(c1nc(N3CCCC(C)(C)C3)cc[nH+]1)CC2 ZINC000656151854 461627488 /nfs/dbraw/zinc/62/74/88/461627488.db2.gz LHRSALMHABSNCU-UHFFFAOYSA-N 2 2 343.519 3.168 10 0 EGAELP COc1c(C)[nH+]cnc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000656184037 461636807 /nfs/dbraw/zinc/63/68/07/461636807.db2.gz BRZFHYXOBJEYBD-UHFFFAOYSA-N 2 2 344.381 3.011 10 0 EGAELP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000631272767 461686544 /nfs/dbraw/zinc/68/65/44/461686544.db2.gz LAUDDWURJZCKMH-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000663635584 461729813 /nfs/dbraw/zinc/72/98/13/461729813.db2.gz MCMOTVFWOQGZKH-ZDUSSCGKSA-N 2 2 343.393 3.322 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480718 461730146 /nfs/dbraw/zinc/73/01/46/461730146.db2.gz XXSMONJIHLVIJY-SJORKVTESA-N 2 2 348.487 3.067 10 0 EGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480718 461730154 /nfs/dbraw/zinc/73/01/54/461730154.db2.gz XXSMONJIHLVIJY-SJORKVTESA-N 2 2 348.487 3.067 10 0 EGAELP Cc1[nH]c2ccc(-n3cc(C[NH2+][C@H]4CCc5ccccc54)nn3)cc2[nH+]1 ZINC000656439084 461742906 /nfs/dbraw/zinc/74/29/06/461742906.db2.gz JKXSHPJXYXOIIN-SFHVURJKSA-N 2 2 344.422 3.229 10 0 EGAELP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000643525870 461752028 /nfs/dbraw/zinc/75/20/28/461752028.db2.gz GCXBFXOUXNISAK-SFYZADRCSA-N 2 2 336.071 3.209 10 0 EGAELP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554452 461764316 /nfs/dbraw/zinc/76/43/16/461764316.db2.gz ZPXIVIUNRGZVLT-OAHLLOKOSA-N 2 2 328.378 3.392 10 0 EGAELP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000639164377 461774459 /nfs/dbraw/zinc/77/44/59/461774459.db2.gz QRYRSDAVBWHCTN-KGEPEWOVSA-N 2 2 347.547 3.185 10 0 EGAELP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000639164377 461774462 /nfs/dbraw/zinc/77/44/62/461774462.db2.gz QRYRSDAVBWHCTN-KGEPEWOVSA-N 2 2 347.547 3.185 10 0 EGAELP Cc1cc(CO)cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)[nH+]1 ZINC000663837839 461831060 /nfs/dbraw/zinc/83/10/60/461831060.db2.gz UTGXENUUPNRXEN-UHFFFAOYSA-N 2 2 331.847 3.006 10 0 EGAELP Cc1cc(CO)cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)[nH+]1 ZINC000663837839 461831064 /nfs/dbraw/zinc/83/10/64/461831064.db2.gz UTGXENUUPNRXEN-UHFFFAOYSA-N 2 2 331.847 3.006 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647793373 461838377 /nfs/dbraw/zinc/83/83/77/461838377.db2.gz VYSGHYIVBVCILY-HDAAZOAOSA-N 3 2 338.499 3.219 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000656701875 461849112 /nfs/dbraw/zinc/84/91/12/461849112.db2.gz FBKVHUATIAODNN-PMACEKPBSA-N 2 2 326.484 3.206 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000656701875 461849116 /nfs/dbraw/zinc/84/91/16/461849116.db2.gz FBKVHUATIAODNN-PMACEKPBSA-N 2 2 326.484 3.206 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899672 461874536 /nfs/dbraw/zinc/87/45/36/461874536.db2.gz SGGYRZOSVPEFPX-IEBWSBKVSA-N 2 2 337.467 3.242 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899672 461874543 /nfs/dbraw/zinc/87/45/43/461874543.db2.gz SGGYRZOSVPEFPX-IEBWSBKVSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901539 461877037 /nfs/dbraw/zinc/87/70/37/461877037.db2.gz QESCVTPTJSYIMS-DJIMGWMZSA-N 2 2 326.444 3.262 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901539 461877042 /nfs/dbraw/zinc/87/70/42/461877042.db2.gz QESCVTPTJSYIMS-DJIMGWMZSA-N 2 2 326.444 3.262 10 0 EGAELP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903601 461878378 /nfs/dbraw/zinc/87/83/78/461878378.db2.gz MQXUUABGFOAOHJ-CJNGLKHVSA-N 2 2 326.843 3.322 10 0 EGAELP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903601 461878380 /nfs/dbraw/zinc/87/83/80/461878380.db2.gz MQXUUABGFOAOHJ-CJNGLKHVSA-N 2 2 326.843 3.322 10 0 EGAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000647957589 461907910 /nfs/dbraw/zinc/90/79/10/461907910.db2.gz IGFZRPDSZOKZHX-QFIPXVFZSA-N 2 2 349.478 3.368 10 0 EGAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000647957589 461907920 /nfs/dbraw/zinc/90/79/20/461907920.db2.gz IGFZRPDSZOKZHX-QFIPXVFZSA-N 2 2 349.478 3.368 10 0 EGAELP C[NH2+]Cc1ccccc1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000650756741 461936929 /nfs/dbraw/zinc/93/69/29/461936929.db2.gz IWQWQXXPDHRFBY-HXUWFJFHSA-N 2 2 338.430 3.158 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648013874 461943571 /nfs/dbraw/zinc/94/35/71/461943571.db2.gz VDIARXJEEKFNBQ-XLIONFOSSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648013874 461943576 /nfs/dbraw/zinc/94/35/76/461943576.db2.gz VDIARXJEEKFNBQ-XLIONFOSSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000664402337 462047035 /nfs/dbraw/zinc/04/70/35/462047035.db2.gz CIFZXGBOFGDNOY-QGZVFWFLSA-N 2 2 337.471 3.088 10 0 EGAELP Cc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000664402337 462047042 /nfs/dbraw/zinc/04/70/42/462047042.db2.gz CIFZXGBOFGDNOY-QGZVFWFLSA-N 2 2 337.471 3.088 10 0 EGAELP Cc1cccc(C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000644704782 462047228 /nfs/dbraw/zinc/04/72/28/462047228.db2.gz GRWSMVFARGXVGX-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000644704782 462047231 /nfs/dbraw/zinc/04/72/31/462047231.db2.gz GRWSMVFARGXVGX-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000644704782 462047234 /nfs/dbraw/zinc/04/72/34/462047234.db2.gz GRWSMVFARGXVGX-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000644704782 462047239 /nfs/dbraw/zinc/04/72/39/462047239.db2.gz GRWSMVFARGXVGX-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP C[C@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000657395308 462094899 /nfs/dbraw/zinc/09/48/99/462094899.db2.gz UDNMZEUANASFLJ-PKOBYXMFSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657395308 462094906 /nfs/dbraw/zinc/09/49/06/462094906.db2.gz UDNMZEUANASFLJ-PKOBYXMFSA-N 2 2 347.466 3.020 10 0 EGAELP C[NH+](C)CC1(C[NH2+]Cc2c(F)cncc2Br)CCCC1 ZINC000657434093 462121236 /nfs/dbraw/zinc/12/12/36/462121236.db2.gz FSVZNEROBGANCS-UHFFFAOYSA-N 2 2 344.272 3.195 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657461013 462137903 /nfs/dbraw/zinc/13/79/03/462137903.db2.gz COQRAZJEZPIVGB-HXUWFJFHSA-N 2 2 338.499 3.220 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657461013 462137909 /nfs/dbraw/zinc/13/79/09/462137909.db2.gz COQRAZJEZPIVGB-HXUWFJFHSA-N 2 2 338.499 3.220 10 0 EGAELP c1cc(C[NH+]2CCC(OC3CCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667568445 462149026 /nfs/dbraw/zinc/14/90/26/462149026.db2.gz DPWBOURDNPNBIZ-UHFFFAOYSA-N 2 2 326.444 3.191 10 0 EGAELP Fc1cncc(Br)c1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667587106 462159769 /nfs/dbraw/zinc/15/97/69/462159769.db2.gz HEEOGCCQSKDBDC-LLVKDONJSA-N 2 2 339.212 3.017 10 0 EGAELP Fc1cncc(Br)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667587106 462159773 /nfs/dbraw/zinc/15/97/73/462159773.db2.gz HEEOGCCQSKDBDC-LLVKDONJSA-N 2 2 339.212 3.017 10 0 EGAELP Fc1cncc(Br)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667587106 462159776 /nfs/dbraw/zinc/15/97/76/462159776.db2.gz HEEOGCCQSKDBDC-LLVKDONJSA-N 2 2 339.212 3.017 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526191 462168549 /nfs/dbraw/zinc/16/85/49/462168549.db2.gz CCRQPIZIKVJUAC-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526191 462168553 /nfs/dbraw/zinc/16/85/53/462168553.db2.gz CCRQPIZIKVJUAC-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP Cc1cncc(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000657712734 462239788 /nfs/dbraw/zinc/23/97/88/462239788.db2.gz BHGKYQZEJAOKDJ-UHFFFAOYSA-N 2 2 344.890 3.235 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667770203 462253428 /nfs/dbraw/zinc/25/34/28/462253428.db2.gz RJAWEEDQWVCANQ-MOPGFXCFSA-N 2 2 334.891 3.462 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000648740886 462255025 /nfs/dbraw/zinc/25/50/25/462255025.db2.gz VOXMIUNBOLGGJL-CQSZACIVSA-N 2 2 337.427 3.436 10 0 EGAELP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657795398 462270991 /nfs/dbraw/zinc/27/09/91/462270991.db2.gz HYCJVUNMJYDZKJ-KDOFPFPSSA-N 2 2 327.453 3.188 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657836623 462289390 /nfs/dbraw/zinc/28/93/90/462289390.db2.gz WWLTXJHMUCEXPJ-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657836623 462289395 /nfs/dbraw/zinc/28/93/95/462289395.db2.gz WWLTXJHMUCEXPJ-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)n1-c1ccccc1 ZINC000651884872 462370533 /nfs/dbraw/zinc/37/05/33/462370533.db2.gz RFKFAMZDJIZJKV-JOCHJYFZSA-N 2 2 347.462 3.147 10 0 EGAELP FC(F)(F)Oc1cccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665279635 462382801 /nfs/dbraw/zinc/38/28/01/462382801.db2.gz IAFQWMRMSDVUCM-AJQRCPHMSA-N 2 2 326.362 3.378 10 0 EGAELP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658296725 462462975 /nfs/dbraw/zinc/46/29/75/462462975.db2.gz VJRJBPPWZPNVOK-ZBFHGGJFSA-N 2 2 338.854 3.309 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000652222587 462478076 /nfs/dbraw/zinc/47/80/76/462478076.db2.gz SDCCRWPHNNIKCE-IBGZPJMESA-N 2 2 332.467 3.216 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000652222587 462478081 /nfs/dbraw/zinc/47/80/81/462478081.db2.gz SDCCRWPHNNIKCE-IBGZPJMESA-N 2 2 332.467 3.216 10 0 EGAELP C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661979609 462492412 /nfs/dbraw/zinc/49/24/12/462492412.db2.gz ZRVCGRXXHXSXCK-GOSISDBHSA-N 2 2 344.499 3.052 10 0 EGAELP C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661979609 462492419 /nfs/dbraw/zinc/49/24/19/462492419.db2.gz ZRVCGRXXHXSXCK-GOSISDBHSA-N 2 2 344.499 3.052 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000130628287 533895140 /nfs/dbraw/zinc/89/51/40/533895140.db2.gz SRSRYAGJPMSBQL-RDTXWAMCSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000130628287 533895151 /nfs/dbraw/zinc/89/51/51/533895151.db2.gz SRSRYAGJPMSBQL-RDTXWAMCSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628287 533895157 /nfs/dbraw/zinc/89/51/57/533895157.db2.gz SRSRYAGJPMSBQL-RDTXWAMCSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628287 533895169 /nfs/dbraw/zinc/89/51/69/533895169.db2.gz SRSRYAGJPMSBQL-RDTXWAMCSA-N 2 2 332.879 3.440 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174773743 529164090 /nfs/dbraw/zinc/16/40/90/529164090.db2.gz OHYYGECNZJMSSM-LPHOPBHVSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174773743 529164093 /nfs/dbraw/zinc/16/40/93/529164093.db2.gz OHYYGECNZJMSSM-LPHOPBHVSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773743 529164095 /nfs/dbraw/zinc/16/40/95/529164095.db2.gz OHYYGECNZJMSSM-LPHOPBHVSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773743 529164097 /nfs/dbraw/zinc/16/40/97/529164097.db2.gz OHYYGECNZJMSSM-LPHOPBHVSA-N 2 2 345.531 3.412 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000130279938 529223759 /nfs/dbraw/zinc/22/37/59/529223759.db2.gz SAFYQNBDWMDMGG-KGLIPLIRSA-N 2 2 349.504 3.480 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000130279938 529223760 /nfs/dbraw/zinc/22/37/60/529223760.db2.gz SAFYQNBDWMDMGG-KGLIPLIRSA-N 2 2 349.504 3.480 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346225562 534931836 /nfs/dbraw/zinc/93/18/36/534931836.db2.gz RQIGWNNWSRWMCI-CYBMUJFWSA-N 2 2 333.457 3.097 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346225562 534931843 /nfs/dbraw/zinc/93/18/43/534931843.db2.gz RQIGWNNWSRWMCI-CYBMUJFWSA-N 2 2 333.457 3.097 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2csc(C)n2)CC1 ZINC000151601796 546857096 /nfs/dbraw/zinc/85/70/96/546857096.db2.gz YVKSYDHSZFBEEL-UHFFFAOYSA-N 2 2 344.528 3.273 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982837 546875786 /nfs/dbraw/zinc/87/57/86/546875786.db2.gz AXIAVFOABPQOMS-RXVVDRJESA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982837 546875790 /nfs/dbraw/zinc/87/57/90/546875790.db2.gz AXIAVFOABPQOMS-RXVVDRJESA-N 3 2 329.532 3.361 10 0 EGAELP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101566 547023761 /nfs/dbraw/zinc/02/37/61/547023761.db2.gz IAVNEXSMNCBWFL-CQSZACIVSA-N 2 2 325.334 3.446 10 0 EGAELP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101566 547023766 /nfs/dbraw/zinc/02/37/66/547023766.db2.gz IAVNEXSMNCBWFL-CQSZACIVSA-N 2 2 325.334 3.446 10 0 EGAELP CCCOc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188418031 547149071 /nfs/dbraw/zinc/14/90/71/547149071.db2.gz BHWBIQINXKZRLS-QGZVFWFLSA-N 2 2 329.444 3.345 10 0 EGAELP CCCC[C@@H](CC)CC[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361026097 547760993 /nfs/dbraw/zinc/76/09/93/547760993.db2.gz HMEJRVXPEKBZGQ-SJORKVTESA-N 2 2 334.508 3.107 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)c1 ZINC000414120886 547853419 /nfs/dbraw/zinc/85/34/19/547853419.db2.gz FFBZNLMWCKUSSN-MRXNPFEDSA-N 2 2 334.261 3.392 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000675739109 548971051 /nfs/dbraw/zinc/97/10/51/548971051.db2.gz GPPKCIFOQIXEEZ-FQEVSTJZSA-N 2 2 332.451 3.300 10 0 EGAELP C[C@@H](c1ccco1)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000676704756 549131874 /nfs/dbraw/zinc/13/18/74/549131874.db2.gz JKYFBQIEYVVTKY-LPHOPBHVSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000676704756 549131876 /nfs/dbraw/zinc/13/18/76/549131876.db2.gz JKYFBQIEYVVTKY-LPHOPBHVSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@@H](c1ccco1)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000676704756 549131881 /nfs/dbraw/zinc/13/18/81/549131881.db2.gz JKYFBQIEYVVTKY-LPHOPBHVSA-N 2 2 328.456 3.298 10 0 EGAELP Cc1ccc(CCC[NH2+]CCc2csc(N3CCCC3)n2)c[nH+]1 ZINC000684387041 550323122 /nfs/dbraw/zinc/32/31/22/550323122.db2.gz XIZZSXYOLIGHSY-UHFFFAOYSA-N 2 2 330.501 3.212 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684554253 550342285 /nfs/dbraw/zinc/34/22/85/550342285.db2.gz SRMUTLPKOZIQAG-PKOBYXMFSA-N 2 2 335.455 3.105 10 0 EGAELP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000685629668 550434508 /nfs/dbraw/zinc/43/45/08/550434508.db2.gz ITUPKZFYFLOSSJ-HIFRSBDPSA-N 2 2 329.444 3.243 10 0 EGAELP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000685629668 550434509 /nfs/dbraw/zinc/43/45/09/550434509.db2.gz ITUPKZFYFLOSSJ-HIFRSBDPSA-N 2 2 329.444 3.243 10 0 EGAELP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000732821902 575289840 /nfs/dbraw/zinc/28/98/40/575289840.db2.gz CUOROHAOIDJNSF-IBGZPJMESA-N 2 2 325.387 3.143 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cn2nc(C)n(C3CC3)c2=S)CC1 ZINC000738070972 576284513 /nfs/dbraw/zinc/28/45/13/576284513.db2.gz NHSLQKNHDSZDEZ-UHFFFAOYSA-N 2 2 337.537 3.069 10 0 EGAELP CCOc1c(C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)nn1CC(C)C ZINC000237042843 1296217426 /nfs/dbraw/zinc/21/74/26/1296217426.db2.gz AOUZHAKESCMPNX-UHFFFAOYSA-N 2 2 336.524 3.209 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC(C)C ZINC000237362938 1296239209 /nfs/dbraw/zinc/23/92/09/1296239209.db2.gz HJKSKPHDLPCFGR-ROUUACIJSA-N 2 2 332.488 3.446 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC(C)C ZINC000237362938 1296239218 /nfs/dbraw/zinc/23/92/18/1296239218.db2.gz HJKSKPHDLPCFGR-ROUUACIJSA-N 2 2 332.488 3.446 10 0 EGAELP Cn1cccc1C[N@@H+]1C[C@@H](COc2cc[nH+]cc2)[C@H](c2ccccn2)C1 ZINC000253411230 1296467189 /nfs/dbraw/zinc/46/71/89/1296467189.db2.gz OIVPIRQAIMJVOH-FXAWDEMLSA-N 2 2 348.450 3.110 10 0 EGAELP Cn1cccc1C[N@H+]1C[C@@H](COc2cc[nH+]cc2)[C@H](c2ccccn2)C1 ZINC000253411230 1296467194 /nfs/dbraw/zinc/46/71/94/1296467194.db2.gz OIVPIRQAIMJVOH-FXAWDEMLSA-N 2 2 348.450 3.110 10 0 EGAELP CC[NH+](CC)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306571883 1297066569 /nfs/dbraw/zinc/06/65/69/1297066569.db2.gz HHSSXSNANWACKV-OAQYLSRUSA-N 2 2 326.484 3.392 10 0 EGAELP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000381391088 1297552100 /nfs/dbraw/zinc/55/21/00/1297552100.db2.gz UTSZXOLAVJLAMP-HXUWFJFHSA-N 2 2 342.483 3.058 10 0 EGAELP C[N@H+](C[C@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000384462588 1297579090 /nfs/dbraw/zinc/57/90/90/1297579090.db2.gz HFAQFYDMKZEKFJ-QFIPXVFZSA-N 2 2 338.495 3.491 10 0 EGAELP C[N@@H+](C[C@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000384462588 1297579098 /nfs/dbraw/zinc/57/90/98/1297579098.db2.gz HFAQFYDMKZEKFJ-QFIPXVFZSA-N 2 2 338.495 3.491 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CN1C(=O)OC(C)(C)C ZINC000399064097 1297723900 /nfs/dbraw/zinc/72/39/00/1297723900.db2.gz KFMSJNISQHPUTI-DLBZAZTESA-N 2 2 339.524 3.240 10 0 EGAELP CC(C)C[N@H+](C1CN(C(=O)CC2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799745 1298011493 /nfs/dbraw/zinc/01/14/93/1298011493.db2.gz SNPPEKPVAWYZHJ-UHFFFAOYSA-N 2 2 349.563 3.220 10 0 EGAELP CC(C)C[N@@H+](C1CN(C(=O)CC2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799745 1298011498 /nfs/dbraw/zinc/01/14/98/1298011498.db2.gz SNPPEKPVAWYZHJ-UHFFFAOYSA-N 2 2 349.563 3.220 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046305 1306189823 /nfs/dbraw/zinc/18/98/23/1306189823.db2.gz VJXXRCCJOYCSAZ-GOEBONIOSA-N 2 2 335.492 3.229 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046305 1306189831 /nfs/dbraw/zinc/18/98/31/1306189831.db2.gz VJXXRCCJOYCSAZ-GOEBONIOSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046305 1306189836 /nfs/dbraw/zinc/18/98/36/1306189836.db2.gz VJXXRCCJOYCSAZ-GOEBONIOSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C[C@@H]1C ZINC000894046305 1306189843 /nfs/dbraw/zinc/18/98/43/1306189843.db2.gz VJXXRCCJOYCSAZ-GOEBONIOSA-N 2 2 335.492 3.229 10 0 EGAELP Cc1cncc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC000894364575 1306362222 /nfs/dbraw/zinc/36/22/22/1306362222.db2.gz PEWMUADRUTZCAJ-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H](N(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H]2C1 ZINC000895116020 1309198157 /nfs/dbraw/zinc/19/81/57/1309198157.db2.gz QSEKVSISVMUSMA-NTCYMZPISA-N 2 2 329.488 3.362 10 0 EGAELP CCC[NH+]1CCC([N@H+](C)Cc2cnc(Br)c(C)c2)CC1 ZINC000929777036 1328696974 /nfs/dbraw/zinc/69/69/74/1328696974.db2.gz GHNFAYZAWBEYGA-UHFFFAOYSA-N 2 2 340.309 3.459 10 0 EGAELP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(Br)c(C)c2)CC1 ZINC000929777036 1328696977 /nfs/dbraw/zinc/69/69/77/1328696977.db2.gz GHNFAYZAWBEYGA-UHFFFAOYSA-N 2 2 340.309 3.459 10 0 EGAELP Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159703 1328698895 /nfs/dbraw/zinc/69/88/95/1328698895.db2.gz CDXASKZBGNSVMW-QZTJIDSGSA-N 2 2 343.515 3.180 10 0 EGAELP Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159703 1328698898 /nfs/dbraw/zinc/69/88/98/1328698898.db2.gz CDXASKZBGNSVMW-QZTJIDSGSA-N 2 2 343.515 3.180 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnc1Br ZINC000929783385 1328699985 /nfs/dbraw/zinc/69/99/85/1328699985.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cnc1Br ZINC000929783385 1328699988 /nfs/dbraw/zinc/69/99/88/1328699988.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cnc1Br ZINC000929783385 1328699991 /nfs/dbraw/zinc/69/99/91/1328699991.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cnc1Br ZINC000929783385 1328699995 /nfs/dbraw/zinc/69/99/95/1328699995.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 2 2 326.282 3.067 10 0 EGAELP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221081 1328714649 /nfs/dbraw/zinc/71/46/49/1328714649.db2.gz ASGGGMYOVJLFFI-INIZCTEOSA-N 2 2 339.524 3.286 10 0 EGAELP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858221081 1328714651 /nfs/dbraw/zinc/71/46/51/1328714651.db2.gz ASGGGMYOVJLFFI-INIZCTEOSA-N 2 2 339.524 3.286 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992504 1328759328 /nfs/dbraw/zinc/75/93/28/1328759328.db2.gz RWQJSUMLUKNSBO-HNNXBMFYSA-N 2 2 333.476 3.491 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992504 1328759331 /nfs/dbraw/zinc/75/93/31/1328759331.db2.gz RWQJSUMLUKNSBO-HNNXBMFYSA-N 2 2 333.476 3.491 10 0 EGAELP CCOC(=O)NC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000858463953 1328768679 /nfs/dbraw/zinc/76/86/79/1328768679.db2.gz FVCHZCNEDRITOV-LEOMRAHMSA-N 2 2 337.508 3.040 10 0 EGAELP CCOC(=O)NC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000858463953 1328768683 /nfs/dbraw/zinc/76/86/83/1328768683.db2.gz FVCHZCNEDRITOV-LEOMRAHMSA-N 2 2 337.508 3.040 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533892 1328790713 /nfs/dbraw/zinc/79/07/13/1328790713.db2.gz YDBIGJCBRNKKKR-BEFAXECRSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533892 1328790720 /nfs/dbraw/zinc/79/07/20/1328790720.db2.gz YDBIGJCBRNKKKR-BEFAXECRSA-N 2 2 343.471 3.311 10 0 EGAELP Cc1[nH]c(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000930518954 1328884502 /nfs/dbraw/zinc/88/45/02/1328884502.db2.gz PNBNPKLTMQLKHS-DOTOQJQBSA-N 2 2 336.842 3.354 10 0 EGAELP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000930614210 1328916032 /nfs/dbraw/zinc/91/60/32/1328916032.db2.gz USMJWDSQFUXNMI-GOSISDBHSA-N 2 2 338.536 3.083 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000922693387 1322593036 /nfs/dbraw/zinc/59/30/36/1322593036.db2.gz GUXKBQVVWGUVIB-HZPDHXFCSA-N 2 2 339.361 3.462 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742229 1322607510 /nfs/dbraw/zinc/60/75/10/1322607510.db2.gz GFIZNYVXOXKBSN-UXHICEINSA-N 2 2 346.515 3.215 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742229 1322607514 /nfs/dbraw/zinc/60/75/14/1322607514.db2.gz GFIZNYVXOXKBSN-UXHICEINSA-N 2 2 346.515 3.215 10 0 EGAELP CCO[C@H](C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1)C[NH+](C)C ZINC000922755776 1322611491 /nfs/dbraw/zinc/61/14/91/1322611491.db2.gz AIXHBGBHKDJYBR-MRXNPFEDSA-N 2 2 333.501 3.175 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000923426859 1322749784 /nfs/dbraw/zinc/74/97/84/1322749784.db2.gz HFQFDCYBSQVBQQ-LSDHHAIUSA-N 2 2 329.271 3.291 10 0 EGAELP Clc1cccc2c1[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)COC2 ZINC000924644847 1323090355 /nfs/dbraw/zinc/09/03/55/1323090355.db2.gz ACWGVFYSZCWVFA-MRXNPFEDSA-N 2 2 331.847 3.276 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cn1 ZINC000924722923 1323133268 /nfs/dbraw/zinc/13/32/68/1323133268.db2.gz JADQYNFXQGWYOZ-CQSZACIVSA-N 2 2 336.443 3.348 10 0 EGAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861759 1323190717 /nfs/dbraw/zinc/19/07/17/1323190717.db2.gz LPTYWLQAWSVPOG-MRXNPFEDSA-N 2 2 329.444 3.091 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000925051139 1323258010 /nfs/dbraw/zinc/25/80/10/1323258010.db2.gz WHVZPBTUXASQSB-UXHICEINSA-N 2 2 327.472 3.326 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000925051139 1323258022 /nfs/dbraw/zinc/25/80/22/1323258022.db2.gz WHVZPBTUXASQSB-UXHICEINSA-N 2 2 327.472 3.326 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000925076943 1323268458 /nfs/dbraw/zinc/26/84/58/1323268458.db2.gz BDULLMXMZWFEID-KSZLIROESA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000925076943 1323268467 /nfs/dbraw/zinc/26/84/67/1323268467.db2.gz BDULLMXMZWFEID-KSZLIROESA-N 2 2 348.535 3.007 10 0 EGAELP CC[C@@H](OCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286978 1329085792 /nfs/dbraw/zinc/08/57/92/1329085792.db2.gz ZZFNYHFTGZSYBE-OAQYLSRUSA-N 2 2 346.515 3.341 10 0 EGAELP CC[C@@H](OCC[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286978 1329085794 /nfs/dbraw/zinc/08/57/94/1329085794.db2.gz ZZFNYHFTGZSYBE-OAQYLSRUSA-N 2 2 346.515 3.341 10 0 EGAELP CC(C)O[C@@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931285630 1329086038 /nfs/dbraw/zinc/08/60/38/1329086038.db2.gz NNOZNTNKORZRLG-NRFANRHFSA-N 2 2 346.515 3.339 10 0 EGAELP CC(C)O[C@@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931285630 1329086040 /nfs/dbraw/zinc/08/60/40/1329086040.db2.gz NNOZNTNKORZRLG-NRFANRHFSA-N 2 2 346.515 3.339 10 0 EGAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306734 1329090134 /nfs/dbraw/zinc/09/01/34/1329090134.db2.gz LUSVGQSNBRIWMI-ZACQAIPSSA-N 2 2 342.405 3.012 10 0 EGAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306734 1329090144 /nfs/dbraw/zinc/09/01/44/1329090144.db2.gz LUSVGQSNBRIWMI-ZACQAIPSSA-N 2 2 342.405 3.012 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306734 1329090147 /nfs/dbraw/zinc/09/01/47/1329090147.db2.gz LUSVGQSNBRIWMI-ZACQAIPSSA-N 2 2 342.405 3.012 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931306734 1329090149 /nfs/dbraw/zinc/09/01/49/1329090149.db2.gz LUSVGQSNBRIWMI-ZACQAIPSSA-N 2 2 342.405 3.012 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000931707095 1329167895 /nfs/dbraw/zinc/16/78/95/1329167895.db2.gz MYFPMIPYIMJIDG-PMPSAXMXSA-N 2 2 339.361 3.324 10 0 EGAELP C[C@H]1CC2(CC([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)C2)CO1 ZINC000925181221 1325074183 /nfs/dbraw/zinc/07/41/83/1325074183.db2.gz VLQRHSLBGFCISC-DGZYCVBISA-N 2 2 325.456 3.251 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000925184552 1325074651 /nfs/dbraw/zinc/07/46/51/1325074651.db2.gz RBOFBSLJRSIBST-NWDGAFQWSA-N 2 2 333.423 3.311 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000925184552 1325074657 /nfs/dbraw/zinc/07/46/57/1325074657.db2.gz RBOFBSLJRSIBST-NWDGAFQWSA-N 2 2 333.423 3.311 10 0 EGAELP COc1ccc(-c2cc(C[NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)on2)cc1 ZINC000925709066 1325267454 /nfs/dbraw/zinc/26/74/54/1325267454.db2.gz NYUSTXCPIHFHRB-NEWSRXKRSA-N 2 2 341.455 3.216 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000925731226 1325273168 /nfs/dbraw/zinc/27/31/68/1325273168.db2.gz SPAHQVDTQPXPAI-WIYYLYMNSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)(F)F ZINC000925777193 1325296431 /nfs/dbraw/zinc/29/64/31/1325296431.db2.gz CASWPVHDBDQZOE-QWRGUYRKSA-N 2 2 338.320 3.481 10 0 EGAELP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC)cc1 ZINC000925793106 1325303994 /nfs/dbraw/zinc/30/39/94/1325303994.db2.gz HSIOTUCEAZDBLH-HKUYNNGSSA-N 2 2 332.488 3.285 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(Cl)c1 ZINC000926314119 1325512782 /nfs/dbraw/zinc/51/27/82/1325512782.db2.gz GRBFRISGDHESOD-BRWVUGGUSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)cc(Cl)c1 ZINC000926314119 1325512792 /nfs/dbraw/zinc/51/27/92/1325512792.db2.gz GRBFRISGDHESOD-BRWVUGGUSA-N 2 2 326.843 3.119 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746268 1327696571 /nfs/dbraw/zinc/69/65/71/1327696571.db2.gz RXVWVUWDONFAED-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746268 1327696581 /nfs/dbraw/zinc/69/65/81/1327696581.db2.gz RXVWVUWDONFAED-JXFKEZNVSA-N 2 2 339.487 3.325 10 0 EGAELP c1cn(C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c2ccccc2)c[nH+]1 ZINC000926866436 1327746675 /nfs/dbraw/zinc/74/66/75/1327746675.db2.gz WLYCSYDZQAPZBN-WCIQWLHISA-N 2 2 325.456 3.419 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCOCC1 ZINC000926957159 1327796633 /nfs/dbraw/zinc/79/66/33/1327796633.db2.gz GILDEMSSBATJJQ-WOJBJXKFSA-N 2 2 328.500 3.446 10 0 EGAELP 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VYUZOSUQXULHLT-DJAVDHGHSA-N 2 2 332.492 3.058 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001327493613 1388535789 /nfs/dbraw/zinc/53/57/89/1388535789.db2.gz ROXBNDZQYMPGJR-UHFFFAOYSA-N 2 2 348.535 3.150 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280761606 1378370387 /nfs/dbraw/zinc/37/03/87/1378370387.db2.gz YXCKLKRICZMJSH-WIJVFFIESA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280761606 1378370390 /nfs/dbraw/zinc/37/03/90/1378370390.db2.gz YXCKLKRICZMJSH-WIJVFFIESA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280761606 1378370393 /nfs/dbraw/zinc/37/03/93/1378370393.db2.gz YXCKLKRICZMJSH-WIJVFFIESA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280761606 1378370398 /nfs/dbraw/zinc/37/03/98/1378370398.db2.gz YXCKLKRICZMJSH-WIJVFFIESA-N 2 2 346.519 3.305 10 0 EGAELP 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ZINC001316725243 1384545190 /nfs/dbraw/zinc/54/51/90/1384545190.db2.gz YDVKEBXZTXYSID-AYOQOUSVSA-N 2 2 346.519 3.056 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001316725243 1384545194 /nfs/dbraw/zinc/54/51/94/1384545194.db2.gz YDVKEBXZTXYSID-AYOQOUSVSA-N 2 2 346.519 3.056 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C3CC3)ccn12 ZINC001317013224 1384777432 /nfs/dbraw/zinc/77/74/32/1384777432.db2.gz MZURIDBJDPTEFC-KRWDZBQOSA-N 2 2 342.487 3.177 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317354021 1385101620 /nfs/dbraw/zinc/10/16/20/1385101620.db2.gz BCQWQKOHDAJMGR-QZTJIDSGSA-N 2 2 347.503 3.086 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665241 1385651385 /nfs/dbraw/zinc/65/13/85/1385651385.db2.gz URNFVWXTMWZWPA-RHSMWYFYSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665241 1385651390 /nfs/dbraw/zinc/65/13/90/1385651390.db2.gz URNFVWXTMWZWPA-RHSMWYFYSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665241 1385651393 /nfs/dbraw/zinc/65/13/93/1385651393.db2.gz URNFVWXTMWZWPA-RHSMWYFYSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665241 1385651396 /nfs/dbraw/zinc/65/13/96/1385651396.db2.gz URNFVWXTMWZWPA-RHSMWYFYSA-N 2 2 344.952 3.500 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC=C(Cl)Cl)c(C)[nH+]1 ZINC001319218129 1386010241 /nfs/dbraw/zinc/01/02/41/1386010241.db2.gz OGRMNWCUUKDZQE-JTQLQIEISA-N 2 2 344.286 3.281 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319620448 1386213762 /nfs/dbraw/zinc/21/37/62/1386213762.db2.gz OBTVLFCKVGGXLW-IRXDYDNUSA-N 2 2 348.535 3.002 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCCC1 ZINC001329950843 1389270705 /nfs/dbraw/zinc/27/07/05/1389270705.db2.gz DQCFUDQVSWLSSH-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCCC1CCCC1 ZINC001329950843 1389270709 /nfs/dbraw/zinc/27/07/09/1389270709.db2.gz DQCFUDQVSWLSSH-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)n1cc[nH+]c1 ZINC001332861425 1390203885 /nfs/dbraw/zinc/20/38/85/1390203885.db2.gz RWCNWZNLMJXICM-HZPDHXFCSA-N 2 2 336.524 3.391 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001333314713 1390282528 /nfs/dbraw/zinc/28/25/28/1390282528.db2.gz SWDSBXSGZBIBMK-OLZOCXBDSA-N 2 2 344.425 3.182 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001333314713 1390282530 /nfs/dbraw/zinc/28/25/30/1390282530.db2.gz SWDSBXSGZBIBMK-OLZOCXBDSA-N 2 2 344.425 3.182 10 0 EGAELP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1C ZINC001340941061 1390409514 /nfs/dbraw/zinc/40/95/14/1390409514.db2.gz YAEPKQQDGFWAHE-QGZVFWFLSA-N 2 2 340.471 3.487 10 0 EGAELP COc1c(C)cnc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1C ZINC001340941061 1390409516 /nfs/dbraw/zinc/40/95/16/1390409516.db2.gz YAEPKQQDGFWAHE-QGZVFWFLSA-N 2 2 340.471 3.487 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c2ccccc2)c[nH+]1 ZINC001698831414 1406525556 /nfs/dbraw/zinc/52/55/56/1406525556.db2.gz ZPDQPZXKDLNXOB-DLBZAZTESA-N 2 2 342.487 3.124 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001479778099 1392382454 /nfs/dbraw/zinc/38/24/54/1392382454.db2.gz MCHGMRXEJIDPKU-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001479778099 1392382457 /nfs/dbraw/zinc/38/24/57/1392382457.db2.gz MCHGMRXEJIDPKU-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001479835866 1392421178 /nfs/dbraw/zinc/42/11/78/1392421178.db2.gz YHDIFXBEMHOILS-WAQVGJNASA-N 2 2 346.519 3.068 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965718 1392501425 /nfs/dbraw/zinc/50/14/25/1392501425.db2.gz LHZCFICKTBNKKI-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001479965718 1392501430 /nfs/dbraw/zinc/50/14/30/1392501430.db2.gz LHZCFICKTBNKKI-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965718 1392501433 /nfs/dbraw/zinc/50/14/33/1392501433.db2.gz LHZCFICKTBNKKI-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001479965718 1392501437 /nfs/dbraw/zinc/50/14/37/1392501437.db2.gz LHZCFICKTBNKKI-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078493 1392567150 /nfs/dbraw/zinc/56/71/50/1392567150.db2.gz LKRKEHIBMPTEKN-FUHWJXTLSA-N 2 2 348.535 3.143 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078493 1392567152 /nfs/dbraw/zinc/56/71/52/1392567152.db2.gz LKRKEHIBMPTEKN-FUHWJXTLSA-N 2 2 348.535 3.143 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078492 1392567212 /nfs/dbraw/zinc/56/72/12/1392567212.db2.gz LKRKEHIBMPTEKN-AEFFLSMTSA-N 2 2 348.535 3.143 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078492 1392567214 /nfs/dbraw/zinc/56/72/14/1392567214.db2.gz LKRKEHIBMPTEKN-AEFFLSMTSA-N 2 2 348.535 3.143 10 0 EGAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001480211041 1392623506 /nfs/dbraw/zinc/62/35/06/1392623506.db2.gz MVURAJNMFUQNTE-HDICACEKSA-N 2 2 348.450 3.046 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)CC(C)C)ccn12 ZINC001698867149 1406582447 /nfs/dbraw/zinc/58/24/47/1406582447.db2.gz KASZGZMKBHPCKI-PBHICJAKSA-N 2 2 348.466 3.125 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001480334378 1392693645 /nfs/dbraw/zinc/69/36/45/1392693645.db2.gz DEWFIBAXWDAWBF-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001480334378 1392693646 /nfs/dbraw/zinc/69/36/46/1392693646.db2.gz DEWFIBAXWDAWBF-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H](C)CC(C)C)c[nH+]1 ZINC001481046801 1393105287 /nfs/dbraw/zinc/10/52/87/1393105287.db2.gz ZYRGMBAIDCSXEA-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](C)CC(C)C)c[nH+]1 ZINC001481046801 1393105291 /nfs/dbraw/zinc/10/52/91/1393105291.db2.gz ZYRGMBAIDCSXEA-WMZOPIPTSA-N 2 2 348.535 3.189 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481098012 1393119356 /nfs/dbraw/zinc/11/93/56/1393119356.db2.gz PSKCXYYSHZUVAM-ZEVQVBBLSA-N 2 2 346.519 3.111 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481098012 1393119357 /nfs/dbraw/zinc/11/93/57/1393119357.db2.gz PSKCXYYSHZUVAM-ZEVQVBBLSA-N 2 2 346.519 3.111 10 0 EGAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001481333953 1393165938 /nfs/dbraw/zinc/16/59/38/1393165938.db2.gz LCESNWVGVLCWJZ-INIZCTEOSA-N 2 2 342.487 3.273 10 0 EGAELP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481335912 1393166226 /nfs/dbraw/zinc/16/62/26/1393166226.db2.gz SOBMQIMAAVHBRO-FUHWJXTLSA-N 2 2 334.508 3.097 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001698918111 1406652730 /nfs/dbraw/zinc/65/27/30/1406652730.db2.gz SCXSBXLHDNSYMR-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001698922067 1406657167 /nfs/dbraw/zinc/65/71/67/1406657167.db2.gz ZYKTYOXLBCYROV-QGZVFWFLSA-N 2 2 334.508 3.058 10 0 EGAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCCC(C)(C)C ZINC001481827176 1394548242 /nfs/dbraw/zinc/54/82/42/1394548242.db2.gz XWMXAKHMOKZWBQ-INIZCTEOSA-N 2 2 336.524 3.237 10 0 EGAELP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001698967057 1406726718 /nfs/dbraw/zinc/72/67/18/1406726718.db2.gz BGTMRIZCYQYALY-QGZVFWFLSA-N 2 2 330.476 3.343 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001482493918 1395045925 /nfs/dbraw/zinc/04/59/25/1395045925.db2.gz IJCAPYPTUUYSAI-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001484529864 1395417646 /nfs/dbraw/zinc/41/76/46/1395417646.db2.gz OFRMZWSEMKZFBD-INIZCTEOSA-N 2 2 342.487 3.212 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001485319536 1395794718 /nfs/dbraw/zinc/79/47/18/1395794718.db2.gz PBKJYXQPBLSBQE-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001485319536 1395794724 /nfs/dbraw/zinc/79/47/24/1395794724.db2.gz PBKJYXQPBLSBQE-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001485728371 1396120362 /nfs/dbraw/zinc/12/03/62/1396120362.db2.gz YLRIAOJAYWAWAU-MRXNPFEDSA-N 2 2 346.519 3.302 10 0 EGAELP CC(C)c1ccc([C@@H](C)[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001699010767 1406838996 /nfs/dbraw/zinc/83/89/96/1406838996.db2.gz FKTXWWOGNTWFNX-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001699010767 1406839002 /nfs/dbraw/zinc/83/90/02/1406839002.db2.gz FKTXWWOGNTWFNX-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001689057994 1396859121 /nfs/dbraw/zinc/85/91/21/1396859121.db2.gz BTFSLKHSJPVCDY-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP COC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001689265158 1396997251 /nfs/dbraw/zinc/99/72/51/1396997251.db2.gz PCMNCUWDCGUJDR-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(C)C ZINC001689903488 1404197400 /nfs/dbraw/zinc/19/74/00/1404197400.db2.gz WIZPVSXXHQGGIC-WMZOPIPTSA-N 2 2 347.503 3.038 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385990 1404519258 /nfs/dbraw/zinc/51/92/58/1404519258.db2.gz TUYCXXCQWVJGSX-LIMHQNJXSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385990 1404519262 /nfs/dbraw/zinc/51/92/62/1404519262.db2.gz TUYCXXCQWVJGSX-LIMHQNJXSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001690536063 1404625269 /nfs/dbraw/zinc/62/52/69/1404625269.db2.gz VHSJDMADCSCWQO-BHUNQDJPSA-N 2 2 346.519 3.357 10 0 EGAELP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001690536063 1404625271 /nfs/dbraw/zinc/62/52/71/1404625271.db2.gz VHSJDMADCSCWQO-BHUNQDJPSA-N 2 2 346.519 3.357 10 0 EGAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCCC(C)(C)C ZINC001690606875 1404650292 /nfs/dbraw/zinc/65/02/92/1404650292.db2.gz WMWIADNLTCQPGA-MRXNPFEDSA-N 2 2 342.487 3.407 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732002667 1428213319 /nfs/dbraw/zinc/21/33/19/1428213319.db2.gz NAVMNPQQMVZDKV-INIZCTEOSA-N 2 2 348.535 3.340 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823746 1405540275 /nfs/dbraw/zinc/54/02/75/1405540275.db2.gz VXXGOUNCHKDYHN-KRWDZBQOSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823746 1405540278 /nfs/dbraw/zinc/54/02/78/1405540278.db2.gz VXXGOUNCHKDYHN-KRWDZBQOSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001692275915 1405909198 /nfs/dbraw/zinc/90/91/98/1405909198.db2.gz QSIROJKBWXIMPP-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001692275915 1405909203 /nfs/dbraw/zinc/90/92/03/1405909203.db2.gz QSIROJKBWXIMPP-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001692280500 1405916104 /nfs/dbraw/zinc/91/61/04/1405916104.db2.gz XBLCUYUVDUPBGU-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001692280500 1405916106 /nfs/dbraw/zinc/91/61/06/1405916106.db2.gz XBLCUYUVDUPBGU-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP CC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC(C)C ZINC001698607380 1406236244 /nfs/dbraw/zinc/23/62/44/1406236244.db2.gz JUPQVTYFWAXGNT-KRWDZBQOSA-N 2 2 328.460 3.016 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001732089428 1428353357 /nfs/dbraw/zinc/35/33/57/1428353357.db2.gz MRZNXHKTLQBMPZ-OBNUAKFSSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)[N@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001732117663 1428370349 /nfs/dbraw/zinc/37/03/49/1428370349.db2.gz DESNCEGIVQGHJH-INIZCTEOSA-N 2 2 345.531 3.186 10 0 EGAELP CC(C)[N@@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001732117663 1428370353 /nfs/dbraw/zinc/37/03/53/1428370353.db2.gz DESNCEGIVQGHJH-INIZCTEOSA-N 2 2 345.531 3.186 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733657902 1429849469 /nfs/dbraw/zinc/84/94/69/1429849469.db2.gz HGKHHQBJEWVHMN-KBXCAEBGSA-N 2 2 331.504 3.495 10 0 EGAELP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732509079 1428628131 /nfs/dbraw/zinc/62/81/31/1428628131.db2.gz STEAZSUKVDVBRN-BRWVUGGUSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732509079 1428628133 /nfs/dbraw/zinc/62/81/33/1428628133.db2.gz STEAZSUKVDVBRN-BRWVUGGUSA-N 2 2 332.492 3.064 10 0 EGAELP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001699138114 1412529793 /nfs/dbraw/zinc/52/97/93/1412529793.db2.gz HEXACNDYLVUNQX-QZTJIDSGSA-N 2 2 342.487 3.136 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001699805753 1413220513 /nfs/dbraw/zinc/22/05/13/1413220513.db2.gz YLINJWIRUCBKBY-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001699805753 1413220515 /nfs/dbraw/zinc/22/05/15/1413220515.db2.gz YLINJWIRUCBKBY-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001699805753 1413220518 /nfs/dbraw/zinc/22/05/18/1413220518.db2.gz YLINJWIRUCBKBY-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001699805753 1413220519 /nfs/dbraw/zinc/22/05/19/1413220519.db2.gz YLINJWIRUCBKBY-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001732544455 1428717194 /nfs/dbraw/zinc/71/71/94/1428717194.db2.gz CJLWJQOXSMGEQQ-MJGOQNOKSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700408808 1413948341 /nfs/dbraw/zinc/94/83/41/1413948341.db2.gz MTGCMBLSROXJAY-SQGUUQMOSA-N 2 2 348.450 3.144 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001700641405 1414307116 /nfs/dbraw/zinc/30/71/16/1414307116.db2.gz WWXYEYPBZXIEFX-ULQDDVLXSA-N 2 2 334.508 3.145 10 0 EGAELP CC[NH2+]CCC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001700709049 1414363320 /nfs/dbraw/zinc/36/33/20/1414363320.db2.gz CQDOPJIVSNAOAB-KRWDZBQOSA-N 2 2 336.439 3.195 10 0 EGAELP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700884456 1414543045 /nfs/dbraw/zinc/54/30/45/1414543045.db2.gz FZPQDFHWCTZOQW-SJLPKXTDSA-N 2 2 346.519 3.069 10 0 EGAELP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CC(C)(C)C1 ZINC001700884456 1414543048 /nfs/dbraw/zinc/54/30/48/1414543048.db2.gz FZPQDFHWCTZOQW-SJLPKXTDSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC001701013623 1414675440 /nfs/dbraw/zinc/67/54/40/1414675440.db2.gz SCKBIKDALJXEQM-WMZOPIPTSA-N 2 2 334.508 3.095 10 0 EGAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732707706 1428919492 /nfs/dbraw/zinc/91/94/92/1428919492.db2.gz VZJPNCYGYXRQFE-CYBMUJFWSA-N 2 2 340.402 3.000 10 0 EGAELP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732783135 1428968043 /nfs/dbraw/zinc/96/80/43/1428968043.db2.gz YNGYRIHPILDULN-RMKNXTFCSA-N 2 2 348.450 3.328 10 0 EGAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1cccc(Cl)c1 ZINC001707469789 1417370937 /nfs/dbraw/zinc/37/09/37/1417370937.db2.gz JMWLNCOBDZLBCF-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1cccc(Cl)c1 ZINC001707469789 1417370941 /nfs/dbraw/zinc/37/09/41/1417370941.db2.gz JMWLNCOBDZLBCF-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001712975202 1417527760 /nfs/dbraw/zinc/52/77/60/1417527760.db2.gz TUZNRLOYWQTOHI-KRWDZBQOSA-N 2 2 348.535 3.489 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001712975202 1417527762 /nfs/dbraw/zinc/52/77/62/1417527762.db2.gz TUZNRLOYWQTOHI-KRWDZBQOSA-N 2 2 348.535 3.489 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001712974852 1417527937 /nfs/dbraw/zinc/52/79/37/1417527937.db2.gz IVFYIZVFQAKUNU-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001712974852 1417527939 /nfs/dbraw/zinc/52/79/39/1417527939.db2.gz IVFYIZVFQAKUNU-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001733057546 1429201305 /nfs/dbraw/zinc/20/13/05/1429201305.db2.gz UTUQPUXBAPVPCC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001733057546 1429201308 /nfs/dbraw/zinc/20/13/08/1429201308.db2.gz UTUQPUXBAPVPCC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001733057546 1429201310 /nfs/dbraw/zinc/20/13/10/1429201310.db2.gz UTUQPUXBAPVPCC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001733057546 1429201312 /nfs/dbraw/zinc/20/13/12/1429201312.db2.gz UTUQPUXBAPVPCC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713134857 1417714193 /nfs/dbraw/zinc/71/41/93/1417714193.db2.gz WFNMDISOTSHNJT-PKOBYXMFSA-N 2 2 348.535 3.441 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713134857 1417714196 /nfs/dbraw/zinc/71/41/96/1417714196.db2.gz WFNMDISOTSHNJT-PKOBYXMFSA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713263513 1417871326 /nfs/dbraw/zinc/87/13/26/1417871326.db2.gz QHUFPSYXBHNULW-OALUTQOASA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713440007 1418073396 /nfs/dbraw/zinc/07/33/96/1418073396.db2.gz ZCAYIFDFZPACMT-ROUUACIJSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713440007 1418073401 /nfs/dbraw/zinc/07/34/01/1418073401.db2.gz ZCAYIFDFZPACMT-ROUUACIJSA-N 2 2 332.492 3.161 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001733082999 1429235983 /nfs/dbraw/zinc/23/59/83/1429235983.db2.gz JMRJVWSEHTZWOW-RBUKOAKNSA-N 2 2 346.519 3.118 10 0 EGAELP CCc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001713617490 1418395636 /nfs/dbraw/zinc/39/56/36/1418395636.db2.gz ZBTWZRJQJYNQDK-UHFFFAOYSA-N 2 2 339.483 3.431 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001713722380 1418497539 /nfs/dbraw/zinc/49/75/39/1418497539.db2.gz LJLMLIYMKQRJPQ-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001713722380 1418497540 /nfs/dbraw/zinc/49/75/40/1418497540.db2.gz LJLMLIYMKQRJPQ-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713847334 1418643171 /nfs/dbraw/zinc/64/31/71/1418643171.db2.gz KSJIBXUDUDYSNI-QGZVFWFLSA-N 2 2 340.471 3.109 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001714175929 1418983538 /nfs/dbraw/zinc/98/35/38/1418983538.db2.gz CRMAVPRVKDCVMW-FQEVSTJZSA-N 2 2 344.503 3.026 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001714277556 1419058087 /nfs/dbraw/zinc/05/80/87/1419058087.db2.gz BMJIBZKVIDMBCV-SJORKVTESA-N 2 2 342.487 3.252 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001714367774 1419127579 /nfs/dbraw/zinc/12/75/79/1419127579.db2.gz SMLYSRPASKULCP-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001714457937 1419190163 /nfs/dbraw/zinc/19/01/63/1419190163.db2.gz ZPAMEVPQKQUNSM-PBHICJAKSA-N 2 2 348.878 3.030 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895521 1419635885 /nfs/dbraw/zinc/63/58/85/1419635885.db2.gz KSFUBADEZGFABF-ZEVQVBBLSA-N 2 2 346.519 3.063 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714895521 1419635888 /nfs/dbraw/zinc/63/58/88/1419635888.db2.gz KSFUBADEZGFABF-ZEVQVBBLSA-N 2 2 346.519 3.063 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001714921750 1419673827 /nfs/dbraw/zinc/67/38/27/1419673827.db2.gz YCFZULNEIKHOSE-MRXNPFEDSA-N 2 2 328.460 3.035 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715048785 1419790349 /nfs/dbraw/zinc/79/03/49/1419790349.db2.gz XYXLUJUZJQICTK-FUHWJXTLSA-N 2 2 346.519 3.193 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001715048785 1419790351 /nfs/dbraw/zinc/79/03/51/1419790351.db2.gz XYXLUJUZJQICTK-FUHWJXTLSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCC1 ZINC001715496418 1420177809 /nfs/dbraw/zinc/17/78/09/1420177809.db2.gz MIRLEKWDUZZHBD-KRWDZBQOSA-N 2 2 342.487 3.259 10 0 EGAELP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)cs1 ZINC001715663374 1420284721 /nfs/dbraw/zinc/28/47/21/1420284721.db2.gz NBFYYSGRUZLXIR-ZDUSSCGKSA-N 2 2 342.468 3.002 10 0 EGAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001715877110 1420379780 /nfs/dbraw/zinc/37/97/80/1420379780.db2.gz MGKYHWBBHANFBJ-CHYADLBTSA-N 2 2 346.519 3.313 10 0 EGAELP CN(CC[N@H+](C)CC1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715924651 1420400234 /nfs/dbraw/zinc/40/02/34/1420400234.db2.gz YKGQDFUNASUWMX-UHFFFAOYSA-N 2 2 340.471 3.066 10 0 EGAELP CN(CC[N@@H+](C)CC1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715924651 1420400236 /nfs/dbraw/zinc/40/02/36/1420400236.db2.gz YKGQDFUNASUWMX-UHFFFAOYSA-N 2 2 340.471 3.066 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001715940026 1420410208 /nfs/dbraw/zinc/41/02/08/1420410208.db2.gz ZPWJPZGTWQYXBC-OAHLLOKOSA-N 2 2 329.488 3.295 10 0 EGAELP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716242757 1420579074 /nfs/dbraw/zinc/57/90/74/1420579074.db2.gz LLLPKXDJYKDNRI-KRWDZBQOSA-N 2 2 348.535 3.489 10 0 EGAELP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001733272962 1429435504 /nfs/dbraw/zinc/43/55/04/1429435504.db2.gz YQQDOTIBBZWFBC-UWGADRCPSA-N 2 2 344.503 3.200 10 0 EGAELP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001716982675 1421061131 /nfs/dbraw/zinc/06/11/31/1421061131.db2.gz DBHFIQJBPREOIE-QAPCUYQASA-N 2 2 342.487 3.131 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001717092053 1421105913 /nfs/dbraw/zinc/10/59/13/1421105913.db2.gz YOOZVNNENVSRSM-YOEHRIQHSA-N 2 2 335.467 3.197 10 0 EGAELP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717202854 1421171767 /nfs/dbraw/zinc/17/17/67/1421171767.db2.gz CEOXFMWSJQHYMP-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717202854 1421171769 /nfs/dbraw/zinc/17/17/69/1421171769.db2.gz CEOXFMWSJQHYMP-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001717312640 1421258411 /nfs/dbraw/zinc/25/84/11/1421258411.db2.gz YOXSBYBCRJVQBJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001717312640 1421258413 /nfs/dbraw/zinc/25/84/13/1421258413.db2.gz YOXSBYBCRJVQBJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001717312640 1421258414 /nfs/dbraw/zinc/25/84/14/1421258414.db2.gz YOXSBYBCRJVQBJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001717312640 1421258415 /nfs/dbraw/zinc/25/84/15/1421258415.db2.gz YOXSBYBCRJVQBJ-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@@H+](C)CC[C@H](C)F)c(C)[nH+]1 ZINC001717368769 1421305464 /nfs/dbraw/zinc/30/54/64/1421305464.db2.gz FJAZEZJSBDKFFT-YOEHRIQHSA-N 2 2 335.467 3.291 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@H+](C)CC[C@H](C)F)c(C)[nH+]1 ZINC001717368769 1421305468 /nfs/dbraw/zinc/30/54/68/1421305468.db2.gz FJAZEZJSBDKFFT-YOEHRIQHSA-N 2 2 335.467 3.291 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884153 1421687399 /nfs/dbraw/zinc/68/73/99/1421687399.db2.gz HOQCZABDWPFECS-ROUUACIJSA-N 2 2 346.519 3.106 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001717902400 1421698660 /nfs/dbraw/zinc/69/86/60/1421698660.db2.gz XMSAVJOBFOXZID-BTFXCVNISA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001717961311 1421732663 /nfs/dbraw/zinc/73/26/63/1421732663.db2.gz HHLIFYWYKKXSFC-QGZVFWFLSA-N 2 2 342.487 3.259 10 0 EGAELP CCCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001717963419 1421734791 /nfs/dbraw/zinc/73/47/91/1421734791.db2.gz SFEXDGMEXPCFPQ-DLBZAZTESA-N 2 2 348.535 3.146 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001717979367 1421750744 /nfs/dbraw/zinc/75/07/44/1421750744.db2.gz GYORUDYHYCFKQG-QZTJIDSGSA-N 2 2 348.535 3.172 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733360976 1429544907 /nfs/dbraw/zinc/54/49/07/1429544907.db2.gz HQFLAUGVGWXZKV-OSJSJHBBSA-N 2 2 332.492 3.161 10 0 EGAELP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001733440898 1429648770 /nfs/dbraw/zinc/64/87/70/1429648770.db2.gz LSOPEPWUUMQKMP-IBGZPJMESA-N 2 2 334.508 3.096 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001722941065 1424267765 /nfs/dbraw/zinc/26/77/65/1424267765.db2.gz TYTNMKJUXXVKGY-WMZOPIPTSA-N 2 2 346.519 3.043 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001722941065 1424267789 /nfs/dbraw/zinc/26/77/89/1424267789.db2.gz TYTNMKJUXXVKGY-WMZOPIPTSA-N 2 2 346.519 3.043 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001723727252 1424550697 /nfs/dbraw/zinc/55/06/97/1424550697.db2.gz QFECUOMRNMDUQG-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001723727252 1424550699 /nfs/dbraw/zinc/55/06/99/1424550699.db2.gz QFECUOMRNMDUQG-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161878 1424698690 /nfs/dbraw/zinc/69/86/90/1424698690.db2.gz MDCWJDGHGADTMM-IEBWSBKVSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161878 1424698693 /nfs/dbraw/zinc/69/86/93/1424698693.db2.gz MDCWJDGHGADTMM-IEBWSBKVSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001724250499 1424755940 /nfs/dbraw/zinc/75/59/40/1424755940.db2.gz MTVPNKZPCGVVHZ-YLJYHZDGSA-N 2 2 344.503 3.163 10 0 EGAELP CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC[NH+](CCC2=CCCCC2)CC1 ZINC001724302605 1424787066 /nfs/dbraw/zinc/78/70/66/1424787066.db2.gz ZZTIULSNHRCKGI-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001724882842 1425264271 /nfs/dbraw/zinc/26/42/71/1425264271.db2.gz DQFJATRHHIPQOI-IAGOWNOFSA-N 2 2 346.519 3.310 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001724882842 1425264275 /nfs/dbraw/zinc/26/42/75/1425264275.db2.gz DQFJATRHHIPQOI-IAGOWNOFSA-N 2 2 346.519 3.310 10 0 EGAELP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001724884345 1425266456 /nfs/dbraw/zinc/26/64/56/1425266456.db2.gz MNMJSZDPIFKWRF-XVNBXDOJSA-N 2 2 346.862 3.290 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1)n1cc[nH+]c1 ZINC001725364180 1426014334 /nfs/dbraw/zinc/01/43/34/1426014334.db2.gz NMYGUASCINVIHD-DWRORGKVSA-N 2 2 340.471 3.080 10 0 EGAELP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001725595414 1426251063 /nfs/dbraw/zinc/25/10/63/1426251063.db2.gz SMVSKIAVDCBTQS-JKSUJKDBSA-N 2 2 328.460 3.107 10 0 EGAELP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001725764072 1426445561 /nfs/dbraw/zinc/44/55/61/1426445561.db2.gz NWJMVMHWRFYZIC-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725768239 1426451360 /nfs/dbraw/zinc/45/13/60/1426451360.db2.gz YFFUJTLIDKQWPG-INIZCTEOSA-N 2 2 342.487 3.355 10 0 EGAELP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818896 1426494552 /nfs/dbraw/zinc/49/45/52/1426494552.db2.gz YGKDMBDYRWPQKJ-PKOBYXMFSA-N 2 2 346.519 3.265 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818896 1426494554 /nfs/dbraw/zinc/49/45/54/1426494554.db2.gz YGKDMBDYRWPQKJ-PKOBYXMFSA-N 2 2 346.519 3.265 10 0 EGAELP O=C(NCC1=CC[N@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001725825451 1426501520 /nfs/dbraw/zinc/50/15/20/1426501520.db2.gz VBMGQUFVXPQZNS-UHFFFAOYSA-N 2 2 344.434 3.065 10 0 EGAELP O=C(NCC1=CC[N@@H+](CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001725825451 1426501521 /nfs/dbraw/zinc/50/15/21/1426501521.db2.gz VBMGQUFVXPQZNS-UHFFFAOYSA-N 2 2 344.434 3.065 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001731379914 1427316734 /nfs/dbraw/zinc/31/67/34/1427316734.db2.gz ZEHOLDQSVLCKPL-SFHVURJKSA-N 2 2 340.471 3.337 10 0 EGAELP CC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709796 1427765649 /nfs/dbraw/zinc/76/56/49/1427765649.db2.gz FIJQYUMVWXLEEM-BDUNBXCCSA-N 2 2 340.471 3.227 10 0 EGAELP CC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709796 1427765651 /nfs/dbraw/zinc/76/56/51/1427765651.db2.gz FIJQYUMVWXLEEM-BDUNBXCCSA-N 2 2 340.471 3.227 10 0 EGAELP CCCCC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCC1 ZINC001733724380 1429948654 /nfs/dbraw/zinc/94/86/54/1429948654.db2.gz MNNSRTSRBPMDBW-UHFFFAOYSA-N 2 2 342.487 3.004 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001734106986 1437893499 /nfs/dbraw/zinc/89/34/99/1437893499.db2.gz SIIWERWLORZEDX-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001734106986 1437893501 /nfs/dbraw/zinc/89/35/01/1437893501.db2.gz SIIWERWLORZEDX-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001734345435 1438064927 /nfs/dbraw/zinc/06/49/27/1438064927.db2.gz ZXTAZTQAJKQWTQ-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001734498352 1438133280 /nfs/dbraw/zinc/13/32/80/1438133280.db2.gz YLUAIBWOHPMQOS-PBHICJAKSA-N 2 2 342.487 3.129 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001734563348 1438159901 /nfs/dbraw/zinc/15/99/01/1438159901.db2.gz XCWDGWMNYONFNE-JFIYKMOQSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001734563348 1438159903 /nfs/dbraw/zinc/15/99/03/1438159903.db2.gz XCWDGWMNYONFNE-JFIYKMOQSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001734613673 1438187659 /nfs/dbraw/zinc/18/76/59/1438187659.db2.gz RZPBTXFTBLKIDG-APWZRJJASA-N 2 2 346.519 3.097 10 0 EGAELP COc1cc(C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc(Cl)c1OC ZINC000097731781 219052868 /nfs/dbraw/zinc/05/28/68/219052868.db2.gz RSSFIEPYSIYDBW-UHFFFAOYSA-N 2 2 349.862 3.222 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000171614373 529761391 /nfs/dbraw/zinc/76/13/91/529761391.db2.gz MIXKPXCMERALCC-HNNXBMFYSA-N 2 2 349.276 3.440 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000171614373 529761392 /nfs/dbraw/zinc/76/13/92/529761392.db2.gz MIXKPXCMERALCC-HNNXBMFYSA-N 2 2 349.276 3.440 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000540156139 314366161 /nfs/dbraw/zinc/36/61/61/314366161.db2.gz DTBANYDXQGGKKW-UEKVPHQBSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000540156139 314366164 /nfs/dbraw/zinc/36/61/64/314366164.db2.gz DTBANYDXQGGKKW-UEKVPHQBSA-N 2 2 329.257 3.059 10 0 EGAELP Brc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)s1 ZINC000038076172 213201060 /nfs/dbraw/zinc/20/10/60/213201060.db2.gz LMXUNNOCRGRBNJ-UHFFFAOYSA-N 2 2 326.263 3.443 10 0 EGAELP COc1c(C)cnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000110030841 220010381 /nfs/dbraw/zinc/01/03/81/220010381.db2.gz OPTZZDMBAOQTHK-INIZCTEOSA-N 2 2 326.444 3.036 10 0 EGAELP COc1c(C)cnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000110030841 220010382 /nfs/dbraw/zinc/01/03/82/220010382.db2.gz OPTZZDMBAOQTHK-INIZCTEOSA-N 2 2 326.444 3.036 10 0 EGAELP Clc1ccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000265553210 247597133 /nfs/dbraw/zinc/59/71/33/247597133.db2.gz ZEQLDJFREZLTNX-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP Fc1ccc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000377716693 169067096 /nfs/dbraw/zinc/06/70/96/169067096.db2.gz CQQGULJZFYJHAU-ZDUSSCGKSA-N 2 2 328.416 3.319 10 0 EGAELP Fc1ccc(-c2nc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cs2)cc1 ZINC000377716693 169067098 /nfs/dbraw/zinc/06/70/98/169067098.db2.gz CQQGULJZFYJHAU-ZDUSSCGKSA-N 2 2 328.416 3.319 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268795976 252248101 /nfs/dbraw/zinc/24/81/01/252248101.db2.gz ZXSZMFQSXBVRKI-APWZRJJASA-N 2 2 325.456 3.090 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268795976 252248106 /nfs/dbraw/zinc/24/81/06/252248106.db2.gz ZXSZMFQSXBVRKI-APWZRJJASA-N 2 2 325.456 3.090 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841388 221194501 /nfs/dbraw/zinc/19/45/01/221194501.db2.gz PZBITBFMGDXADK-MRXNPFEDSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841388 221194502 /nfs/dbraw/zinc/19/45/02/221194502.db2.gz PZBITBFMGDXADK-MRXNPFEDSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841388 221194504 /nfs/dbraw/zinc/19/45/04/221194504.db2.gz PZBITBFMGDXADK-MRXNPFEDSA-N 2 2 331.504 3.024 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841388 221194506 /nfs/dbraw/zinc/19/45/06/221194506.db2.gz PZBITBFMGDXADK-MRXNPFEDSA-N 2 2 331.504 3.024 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328627488 258032323 /nfs/dbraw/zinc/03/23/23/258032323.db2.gz GHGSROYAEDDVEH-SZMVWBNQSA-N 2 2 342.418 3.080 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328627488 258032324 /nfs/dbraw/zinc/03/23/24/258032324.db2.gz GHGSROYAEDDVEH-SZMVWBNQSA-N 2 2 342.418 3.080 10 0 EGAELP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626235 258033045 /nfs/dbraw/zinc/03/30/45/258033045.db2.gz DXGNDGVSFPROKG-LRQRDZAKSA-N 2 2 339.483 3.304 10 0 EGAELP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626235 258033046 /nfs/dbraw/zinc/03/30/46/258033046.db2.gz DXGNDGVSFPROKG-LRQRDZAKSA-N 2 2 339.483 3.304 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923307 141044235 /nfs/dbraw/zinc/04/42/35/141044235.db2.gz MZDQHYQNNXORLK-WMLDXEAASA-N 2 2 346.450 3.346 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923307 141044236 /nfs/dbraw/zinc/04/42/36/141044236.db2.gz MZDQHYQNNXORLK-WMLDXEAASA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923307 141044237 /nfs/dbraw/zinc/04/42/37/141044237.db2.gz MZDQHYQNNXORLK-WMLDXEAASA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@@H](C)C1 ZINC000246923307 141044238 /nfs/dbraw/zinc/04/42/38/141044238.db2.gz MZDQHYQNNXORLK-WMLDXEAASA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975945 141046731 /nfs/dbraw/zinc/04/67/31/141046731.db2.gz IRFCDWBURJIRQI-WIYYLYMNSA-N 3 2 344.547 3.004 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975945 141046733 /nfs/dbraw/zinc/04/67/33/141046733.db2.gz IRFCDWBURJIRQI-WIYYLYMNSA-N 3 2 344.547 3.004 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907587 141213998 /nfs/dbraw/zinc/21/39/98/141213998.db2.gz FLQAFTMMKBHDJM-PBHICJAKSA-N 2 2 329.444 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907587 141213999 /nfs/dbraw/zinc/21/39/99/141213999.db2.gz FLQAFTMMKBHDJM-PBHICJAKSA-N 2 2 329.444 3.292 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000347924315 141217821 /nfs/dbraw/zinc/21/78/21/141217821.db2.gz VWVWPLOFPFDRDC-UHFFFAOYSA-N 2 2 326.366 3.207 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000347924315 141217822 /nfs/dbraw/zinc/21/78/22/141217822.db2.gz VWVWPLOFPFDRDC-UHFFFAOYSA-N 2 2 326.366 3.207 10 0 EGAELP C[C@H](c1ccc(F)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589856 144007027 /nfs/dbraw/zinc/00/70/27/144007027.db2.gz FZDZZHSPVLUZLQ-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589856 144007028 /nfs/dbraw/zinc/00/70/28/144007028.db2.gz FZDZZHSPVLUZLQ-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000171599478 144007602 /nfs/dbraw/zinc/00/76/02/144007602.db2.gz GQSGPQPXZNQUGR-UHFFFAOYSA-N 2 2 326.469 3.485 10 0 EGAELP C[NH+]1CCC(CNC(=O)CC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000172751798 144027423 /nfs/dbraw/zinc/02/74/23/144027423.db2.gz JEEYDOXHOGVURO-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP CCC1(CC)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[S@]1=O ZINC000192192647 144171775 /nfs/dbraw/zinc/17/17/75/144171775.db2.gz ZWLFKUGCYLFXOE-XMMPIXPASA-N 2 2 345.512 3.304 10 0 EGAELP CCC1(CC)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[S@]1=O ZINC000192192647 144171776 /nfs/dbraw/zinc/17/17/76/144171776.db2.gz ZWLFKUGCYLFXOE-XMMPIXPASA-N 2 2 345.512 3.304 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C[C@H]1n1cc[nH+]c1 ZINC000351775975 144304652 /nfs/dbraw/zinc/30/46/52/144304652.db2.gz WWKMQSOTDAXZKG-OXJNMPFZSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C[C@H]1n1cc[nH+]c1 ZINC000351775975 144304654 /nfs/dbraw/zinc/30/46/54/144304654.db2.gz WWKMQSOTDAXZKG-OXJNMPFZSA-N 2 2 335.455 3.367 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000187019769 153006815 /nfs/dbraw/zinc/00/68/15/153006815.db2.gz HLCRDZFVRHOVLW-GDBMZVCRSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000187019769 153006821 /nfs/dbraw/zinc/00/68/21/153006821.db2.gz HLCRDZFVRHOVLW-GDBMZVCRSA-N 2 2 349.450 3.194 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1cccs1 ZINC000191190002 153178143 /nfs/dbraw/zinc/17/81/43/153178143.db2.gz USBPFLUTOCMIHE-PBHICJAKSA-N 2 2 347.532 3.267 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1cccs1 ZINC000191190002 153178148 /nfs/dbraw/zinc/17/81/48/153178148.db2.gz USBPFLUTOCMIHE-PBHICJAKSA-N 2 2 347.532 3.267 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310231134 154141974 /nfs/dbraw/zinc/14/19/74/154141974.db2.gz JPOWVMDMTZRELA-GVDBMIGSSA-N 2 2 344.890 3.074 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310231134 154141979 /nfs/dbraw/zinc/14/19/79/154141979.db2.gz JPOWVMDMTZRELA-GVDBMIGSSA-N 2 2 344.890 3.074 10 0 EGAELP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460251 154364872 /nfs/dbraw/zinc/36/48/72/154364872.db2.gz ZKWIVRXVPMSVCQ-LSDHHAIUSA-N 2 2 333.476 3.129 10 0 EGAELP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460251 154364875 /nfs/dbraw/zinc/36/48/75/154364875.db2.gz ZKWIVRXVPMSVCQ-LSDHHAIUSA-N 2 2 333.476 3.129 10 0 EGAELP Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000339877569 155016001 /nfs/dbraw/zinc/01/60/01/155016001.db2.gz JMLANZGPPRASTM-UHFFFAOYSA-N 2 2 347.466 3.203 10 0 EGAELP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000339877569 155016005 /nfs/dbraw/zinc/01/60/05/155016005.db2.gz JMLANZGPPRASTM-UHFFFAOYSA-N 2 2 347.466 3.203 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365618424 157194166 /nfs/dbraw/zinc/19/41/66/157194166.db2.gz AMVYXMDQTDBEJK-HNNXBMFYSA-N 2 2 336.439 3.272 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365618424 157194171 /nfs/dbraw/zinc/19/41/71/157194171.db2.gz AMVYXMDQTDBEJK-HNNXBMFYSA-N 2 2 336.439 3.272 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000109754166 162112697 /nfs/dbraw/zinc/11/26/97/162112697.db2.gz PICUGXUQABQPHI-HXUWFJFHSA-N 2 2 345.531 3.076 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000109754166 162112700 /nfs/dbraw/zinc/11/27/00/162112700.db2.gz PICUGXUQABQPHI-HXUWFJFHSA-N 2 2 345.531 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000248607368 163020238 /nfs/dbraw/zinc/02/02/38/163020238.db2.gz GHNNYPIAODQYLT-VQIMIIECSA-N 2 2 341.455 3.305 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000248607368 163020241 /nfs/dbraw/zinc/02/02/41/163020241.db2.gz GHNNYPIAODQYLT-VQIMIIECSA-N 2 2 341.455 3.305 10 0 EGAELP O[C@H](C[NH+]1CCC[C@H]1c1ccco1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000248749872 163032893 /nfs/dbraw/zinc/03/28/93/163032893.db2.gz UCKFJFYRVDCKJE-BJWYYQGGSA-N 2 2 330.428 3.208 10 0 EGAELP O[C@H](C[NH+]1CCC[C@H]1c1ccco1)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000248749872 163032895 /nfs/dbraw/zinc/03/28/95/163032895.db2.gz UCKFJFYRVDCKJE-BJWYYQGGSA-N 2 2 330.428 3.208 10 0 EGAELP O[C@@H](C[NH+]1CCC[C@@H]1c1ccco1)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248749872 163032898 /nfs/dbraw/zinc/03/28/98/163032898.db2.gz UCKFJFYRVDCKJE-BJWYYQGGSA-N 2 2 330.428 3.208 10 0 EGAELP O[C@@H](C[NH+]1CCC[C@@H]1c1ccco1)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000248749872 163032899 /nfs/dbraw/zinc/03/28/99/163032899.db2.gz UCKFJFYRVDCKJE-BJWYYQGGSA-N 2 2 330.428 3.208 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1n1cc[nH+]c1 ZINC000249296705 163063021 /nfs/dbraw/zinc/06/30/21/163063021.db2.gz BKGNFQMASFPHRR-XJKSGUPXSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1n1cc[nH+]c1 ZINC000249296705 163063026 /nfs/dbraw/zinc/06/30/26/163063026.db2.gz BKGNFQMASFPHRR-XJKSGUPXSA-N 2 2 341.390 3.155 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337221906 163167587 /nfs/dbraw/zinc/16/75/87/163167587.db2.gz FIFSFCVHJCDUPV-IBGZPJMESA-N 2 2 347.478 3.047 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337221906 163167588 /nfs/dbraw/zinc/16/75/88/163167588.db2.gz FIFSFCVHJCDUPV-IBGZPJMESA-N 2 2 347.478 3.047 10 0 EGAELP c1cc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000355339720 166169672 /nfs/dbraw/zinc/16/96/72/166169672.db2.gz VAAUPXJXISYBEW-HDICACEKSA-N 2 2 348.450 3.234 10 0 EGAELP c1cc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000355339720 166169676 /nfs/dbraw/zinc/16/96/76/166169676.db2.gz VAAUPXJXISYBEW-HDICACEKSA-N 2 2 348.450 3.234 10 0 EGAELP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000355339720 166169678 /nfs/dbraw/zinc/16/96/78/166169678.db2.gz VAAUPXJXISYBEW-HDICACEKSA-N 2 2 348.450 3.234 10 0 EGAELP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000355339720 166169682 /nfs/dbraw/zinc/16/96/82/166169682.db2.gz VAAUPXJXISYBEW-HDICACEKSA-N 2 2 348.450 3.234 10 0 EGAELP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367230009 168196431 /nfs/dbraw/zinc/19/64/31/168196431.db2.gz HJFIBJHKNNRNNY-KRWDZBQOSA-N 2 2 346.519 3.095 10 0 EGAELP CCCCCCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367230009 168196432 /nfs/dbraw/zinc/19/64/32/168196432.db2.gz HJFIBJHKNNRNNY-KRWDZBQOSA-N 2 2 346.519 3.095 10 0 EGAELP C[N@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121223335 221790872 /nfs/dbraw/zinc/79/08/72/221790872.db2.gz AMLVRELBMBCMQT-DUXPYHPUSA-N 2 2 342.462 3.132 10 0 EGAELP C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121223335 221790875 /nfs/dbraw/zinc/79/08/75/221790875.db2.gz AMLVRELBMBCMQT-DUXPYHPUSA-N 2 2 342.462 3.132 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000122942328 222187290 /nfs/dbraw/zinc/18/72/90/222187290.db2.gz ALCGRYZRVBMHRI-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000122942328 222187294 /nfs/dbraw/zinc/18/72/94/222187294.db2.gz ALCGRYZRVBMHRI-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000358913597 275063224 /nfs/dbraw/zinc/06/32/24/275063224.db2.gz IFJDPBLJDPXAGL-SESVDKBCSA-N 2 2 336.483 3.466 10 0 EGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000358913597 275063226 /nfs/dbraw/zinc/06/32/26/275063226.db2.gz IFJDPBLJDPXAGL-SESVDKBCSA-N 2 2 336.483 3.466 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000278766919 275272872 /nfs/dbraw/zinc/27/28/72/275272872.db2.gz UIJPMKFYJFSNCM-UHFFFAOYSA-N 2 2 340.423 3.205 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC[N@@H+]1C ZINC000279150475 275308095 /nfs/dbraw/zinc/30/80/95/275308095.db2.gz HGLOWHMVVDIHKF-GJZGRUSLSA-N 2 2 340.471 3.432 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC[N@H+]1C ZINC000279150475 275308097 /nfs/dbraw/zinc/30/80/97/275308097.db2.gz HGLOWHMVVDIHKF-GJZGRUSLSA-N 2 2 340.471 3.432 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000284372654 275795453 /nfs/dbraw/zinc/79/54/53/275795453.db2.gz OHJNGLOAHSNUSB-PIKADFDJSA-N 2 2 334.529 3.214 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000286521096 276011265 /nfs/dbraw/zinc/01/12/65/276011265.db2.gz SJFJAQZVVKWOPG-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767500 276394269 /nfs/dbraw/zinc/39/42/69/276394269.db2.gz LQIYBTRXEQSZEH-UKRRQHHQSA-N 2 2 349.548 3.385 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767500 276394271 /nfs/dbraw/zinc/39/42/71/276394271.db2.gz LQIYBTRXEQSZEH-UKRRQHHQSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767500 276394273 /nfs/dbraw/zinc/39/42/73/276394273.db2.gz LQIYBTRXEQSZEH-UKRRQHHQSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767500 276394274 /nfs/dbraw/zinc/39/42/74/276394274.db2.gz LQIYBTRXEQSZEH-UKRRQHHQSA-N 2 2 349.548 3.385 10 0 EGAELP Cc1nc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c(C)[nH+]1 ZINC000374544012 279076246 /nfs/dbraw/zinc/07/62/46/279076246.db2.gz OWRQZOUDIAKZOJ-INIZCTEOSA-N 2 2 325.460 3.319 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)c1 ZINC000414121436 309062118 /nfs/dbraw/zinc/06/21/18/309062118.db2.gz GXYFAKCULXLGBI-KRWDZBQOSA-N 2 2 348.288 3.336 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000414157107 309063756 /nfs/dbraw/zinc/06/37/56/309063756.db2.gz XLVZKYDIHJJWFH-MDOVXXIYSA-N 2 2 329.488 3.244 10 0 EGAELP Cc1nnsc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000293249177 308113765 /nfs/dbraw/zinc/11/37/65/308113765.db2.gz BMIRYNGZWRBDPT-BJWYYQGGSA-N 2 2 328.485 3.132 10 0 EGAELP Cc1nnsc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000293249177 308113766 /nfs/dbraw/zinc/11/37/66/308113766.db2.gz BMIRYNGZWRBDPT-BJWYYQGGSA-N 2 2 328.485 3.132 10 0 EGAELP COc1nccnc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000295145947 308296437 /nfs/dbraw/zinc/29/64/37/308296437.db2.gz JCCVLPVCHJXBPC-UHFFFAOYSA-N 2 2 340.471 3.007 10 0 EGAELP COc1sc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Br ZINC000414831158 309104535 /nfs/dbraw/zinc/10/45/35/309104535.db2.gz MTHZIXISAQXCAD-ZDUSSCGKSA-N 2 2 341.274 3.309 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000413063871 309014165 /nfs/dbraw/zinc/01/41/65/309014165.db2.gz RTAHQURDBQEFEZ-LSDHHAIUSA-N 2 2 346.272 3.458 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000413063871 309014166 /nfs/dbraw/zinc/01/41/66/309014166.db2.gz RTAHQURDBQEFEZ-LSDHHAIUSA-N 2 2 346.272 3.458 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414939129 309110344 /nfs/dbraw/zinc/11/03/44/309110344.db2.gz WRNUVRPVYAZHCN-IUODEOHRSA-N 2 2 326.868 3.225 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)[C@H](C)[NH3+] ZINC000415017282 309114628 /nfs/dbraw/zinc/11/46/28/309114628.db2.gz PJVSGFOKYONUFO-QWHCGFSZSA-N 2 2 331.847 3.418 10 0 EGAELP c1cn(-c2csc(C[NH2+]CC[C@@H]3COc4ccccc4O3)c2)c[nH+]1 ZINC000418100969 309235595 /nfs/dbraw/zinc/23/55/95/309235595.db2.gz RYUAURNJWIPPGK-OAHLLOKOSA-N 2 2 341.436 3.254 10 0 EGAELP CN(c1ccccc1)c1cc(NCCC[NH2+]Cc2cccnc2)[nH+]cn1 ZINC000420194141 309276967 /nfs/dbraw/zinc/27/69/67/309276967.db2.gz ZUURPCCQGLBLKW-UHFFFAOYSA-N 2 2 348.454 3.231 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385126 309285649 /nfs/dbraw/zinc/28/56/49/309285649.db2.gz FFXNKDJDIZIHDX-IEBWSBKVSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385126 309285650 /nfs/dbraw/zinc/28/56/50/309285650.db2.gz FFXNKDJDIZIHDX-IEBWSBKVSA-N 2 2 329.488 3.213 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420402865 309286535 /nfs/dbraw/zinc/28/65/35/309286535.db2.gz QVXBHPRKDHFTBO-HNAYVOBHSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420402865 309286536 /nfs/dbraw/zinc/28/65/36/309286536.db2.gz QVXBHPRKDHFTBO-HNAYVOBHSA-N 2 2 344.890 3.490 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420942621 309303177 /nfs/dbraw/zinc/30/31/77/309303177.db2.gz OYKMPUWNUCWZDD-AEFFLSMTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420942621 309303178 /nfs/dbraw/zinc/30/31/78/309303178.db2.gz OYKMPUWNUCWZDD-AEFFLSMTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1c(Cl)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nn1C ZINC000421355678 309319757 /nfs/dbraw/zinc/31/97/57/309319757.db2.gz JFYMGCVRUASONR-UHFFFAOYSA-N 2 2 335.883 3.271 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421826163 309341722 /nfs/dbraw/zinc/34/17/22/309341722.db2.gz RFCAFOPOYGQBFE-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421826163 309341723 /nfs/dbraw/zinc/34/17/23/309341723.db2.gz RFCAFOPOYGQBFE-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422640912 309363234 /nfs/dbraw/zinc/36/32/34/309363234.db2.gz WLHXIJSGFCEASQ-UHFFFAOYSA-N 2 2 335.451 3.267 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1c[nH+]ccc1N ZINC000422732554 309365677 /nfs/dbraw/zinc/36/56/77/309365677.db2.gz PBDOOSGSFYYFLX-LLVKDONJSA-N 2 2 325.334 3.286 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422765942 309367135 /nfs/dbraw/zinc/36/71/35/309367135.db2.gz WMMOKWNHZVPKAS-ICSRJNTNSA-N 2 2 344.430 3.296 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422812908 309369669 /nfs/dbraw/zinc/36/96/69/309369669.db2.gz YIDUGYMEOPKLQF-NSHDSACASA-N 2 2 325.334 3.286 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1c[nH+]ccc1N ZINC000422878451 309373442 /nfs/dbraw/zinc/37/34/42/309373442.db2.gz JEKGVSWMDVKZHQ-NSHDSACASA-N 2 2 325.334 3.286 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(OC(F)F)c1 ZINC000422883930 309374020 /nfs/dbraw/zinc/37/40/20/309374020.db2.gz DHMNMOUIJOHCIO-WFASDCNBSA-N 2 2 328.403 3.164 10 0 EGAELP c1sc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1C1CCCCC1 ZINC000422909368 309375695 /nfs/dbraw/zinc/37/56/95/309375695.db2.gz FSOBSROEQMNGDA-HKUYNNGSSA-N 2 2 349.544 3.090 10 0 EGAELP C[C@@H]1C[C@@H]1[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000422923417 309376220 /nfs/dbraw/zinc/37/62/20/309376220.db2.gz RYETTXDNHCSDCE-NCVQRMGESA-N 2 2 334.891 3.394 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997138 309380091 /nfs/dbraw/zinc/38/00/91/309380091.db2.gz ANWUGPNXSZYEMC-GBESFXJTSA-N 2 2 334.504 3.121 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016378 309381260 /nfs/dbraw/zinc/38/12/60/309381260.db2.gz MNENGYHBTDTKRG-PSMGESJCSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016378 309381261 /nfs/dbraw/zinc/38/12/61/309381261.db2.gz MNENGYHBTDTKRG-PSMGESJCSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016378 309381262 /nfs/dbraw/zinc/38/12/62/309381262.db2.gz MNENGYHBTDTKRG-PSMGESJCSA-N 2 2 339.886 3.345 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423081982 309385009 /nfs/dbraw/zinc/38/50/09/309385009.db2.gz DQZBHAOXYHJQHA-OALUTQOASA-N 2 2 344.499 3.021 10 0 EGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423122295 309387112 /nfs/dbraw/zinc/38/71/12/309387112.db2.gz CBKFVKZKQQRTNA-ZENOOKHLSA-N 2 2 326.893 3.136 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(C)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161275 309388795 /nfs/dbraw/zinc/38/87/95/309388795.db2.gz IOXHWGNYCQZBFX-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423189608 309389691 /nfs/dbraw/zinc/38/96/91/309389691.db2.gz MXKSVRZZMBQPIL-TZMCWYRMSA-N 2 2 325.250 3.004 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200712 309390261 /nfs/dbraw/zinc/39/02/61/309390261.db2.gz MVEPJYYBARPZSX-CQSZACIVSA-N 2 2 333.476 3.356 10 0 EGAELP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)nnn1-c1ccccc1 ZINC000423207615 309390479 /nfs/dbraw/zinc/39/04/79/309390479.db2.gz XSSKUSAIURFZRD-HNNXBMFYSA-N 2 2 327.476 3.278 10 0 EGAELP COc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C(C)C)cc1 ZINC000423233016 309391505 /nfs/dbraw/zinc/39/15/05/309391505.db2.gz NPQUSFATFVFGMN-HXUWFJFHSA-N 2 2 340.471 3.309 10 0 EGAELP CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000423231034 309391658 /nfs/dbraw/zinc/39/16/58/309391658.db2.gz KKRMZCOXFRLCAT-LJQANCHMSA-N 2 2 340.471 3.453 10 0 EGAELP Fc1cc2c(c(F)c1F)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423236212 309391809 /nfs/dbraw/zinc/39/18/09/309391809.db2.gz RURWWQWOMFNELS-AWEZNQCLSA-N 2 2 348.372 3.008 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423234734 309391884 /nfs/dbraw/zinc/39/18/84/309391884.db2.gz FZIVRINCZFSCHP-BBRMVZONSA-N 2 2 330.428 3.063 10 0 EGAELP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424345761 309439865 /nfs/dbraw/zinc/43/98/65/309439865.db2.gz IOSHQQJNVLJAFS-FPPGBKCQSA-N 2 2 332.488 3.091 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000449076537 310035147 /nfs/dbraw/zinc/03/51/47/310035147.db2.gz UBKJTRSFOVXMHY-SFHVURJKSA-N 2 2 345.531 3.482 10 0 EGAELP C[C@@H](Cc1ccoc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449190421 310043278 /nfs/dbraw/zinc/04/32/78/310043278.db2.gz IRGZFZBIESDEKX-HNNXBMFYSA-N 2 2 328.460 3.248 10 0 EGAELP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449285930 310050424 /nfs/dbraw/zinc/05/04/24/310050424.db2.gz RQZIQEGJGSCWKQ-PXNSSMCTSA-N 2 2 328.456 3.091 10 0 EGAELP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000449285930 310050425 /nfs/dbraw/zinc/05/04/25/310050425.db2.gz RQZIQEGJGSCWKQ-PXNSSMCTSA-N 2 2 328.456 3.091 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000449495666 310066801 /nfs/dbraw/zinc/06/68/01/310066801.db2.gz OWBHAXSUUGZANZ-XLIONFOSSA-N 2 2 331.504 3.087 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000449520161 310068986 /nfs/dbraw/zinc/06/89/86/310068986.db2.gz DLGWRXRRQKCCFI-STXHMFSFSA-N 2 2 329.488 3.244 10 0 EGAELP CCN(CCOC)c1cccc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)[nH+]1 ZINC000450994948 310154137 /nfs/dbraw/zinc/15/41/37/310154137.db2.gz CRZMVIXKJPMYRK-HZPDHXFCSA-N 2 2 342.487 3.170 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451593137 310188284 /nfs/dbraw/zinc/18/82/84/310188284.db2.gz CRTFKKLFHFINOM-WOJBJXKFSA-N 2 2 325.456 3.067 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452356022 310224611 /nfs/dbraw/zinc/22/46/11/310224611.db2.gz PANXMVMMFIGVRM-QGZVFWFLSA-N 2 2 326.444 3.114 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452356022 310224612 /nfs/dbraw/zinc/22/46/12/310224612.db2.gz PANXMVMMFIGVRM-QGZVFWFLSA-N 2 2 326.444 3.114 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452799532 310242395 /nfs/dbraw/zinc/24/23/95/310242395.db2.gz 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342.458 3.287 10 0 EGAELP COc1cc[nH+]c(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c1OC ZINC000071746831 454212182 /nfs/dbraw/zinc/21/21/82/454212182.db2.gz VSWUTYCKOUXECQ-GOSISDBHSA-N 2 2 347.503 3.041 10 0 EGAELP COc1cc[nH+]c(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c1OC ZINC000071746831 454212186 /nfs/dbraw/zinc/21/21/86/454212186.db2.gz VSWUTYCKOUXECQ-GOSISDBHSA-N 2 2 347.503 3.041 10 0 EGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000096004933 454260583 /nfs/dbraw/zinc/26/05/83/454260583.db2.gz XTUJYEFVFLSMLD-AQNXPRMDSA-N 2 2 344.474 3.337 10 0 EGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000120316279 454286151 /nfs/dbraw/zinc/28/61/51/454286151.db2.gz RDUNBRGSXLGMRB-KGLIPLIRSA-N 2 2 340.899 3.018 10 0 EGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000120316141 454286199 /nfs/dbraw/zinc/28/61/99/454286199.db2.gz RDUNBRGSXLGMRB-UONOGXRCSA-N 2 2 340.899 3.018 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000133003186 454384258 /nfs/dbraw/zinc/38/42/58/454384258.db2.gz BQIFHQZLISNEGR-KBXCAEBGSA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000133003186 454384261 /nfs/dbraw/zinc/38/42/61/454384261.db2.gz BQIFHQZLISNEGR-KBXCAEBGSA-N 2 2 330.476 3.105 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H]1n1cc[nH+]c1 ZINC000246247147 455456257 /nfs/dbraw/zinc/45/62/57/455456257.db2.gz IUPBWFKWFMTWNB-SUMWQHHRSA-N 2 2 347.846 3.486 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H]1n1cc[nH+]c1 ZINC000246247147 455456260 /nfs/dbraw/zinc/45/62/60/455456260.db2.gz IUPBWFKWFMTWNB-SUMWQHHRSA-N 2 2 347.846 3.486 10 0 EGAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618782 460643518 /nfs/dbraw/zinc/64/35/18/460643518.db2.gz DOZFNCIAWKCUPW-ZCNNSNEGSA-N 2 2 343.515 3.032 10 0 EGAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618782 460643526 /nfs/dbraw/zinc/64/35/26/460643526.db2.gz DOZFNCIAWKCUPW-ZCNNSNEGSA-N 2 2 343.515 3.032 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](c2ccccc2)O1 ZINC000177266920 454844771 /nfs/dbraw/zinc/84/47/71/454844771.db2.gz OUBKTQROHJMBOG-VQIMIIECSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](c2ccccc2)O1 ZINC000177266920 454844774 /nfs/dbraw/zinc/84/47/74/454844774.db2.gz OUBKTQROHJMBOG-VQIMIIECSA-N 2 2 334.423 3.229 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000163463543 454849055 /nfs/dbraw/zinc/84/90/55/454849055.db2.gz DXHRYOKBDVQTGX-SFHVURJKSA-N 3 2 327.476 3.109 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000163463543 454849058 /nfs/dbraw/zinc/84/90/58/454849058.db2.gz DXHRYOKBDVQTGX-SFHVURJKSA-N 3 2 327.476 3.109 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000113323935 454922803 /nfs/dbraw/zinc/92/28/03/454922803.db2.gz YZKKLRXHLZZUTN-INIZCTEOSA-N 2 2 345.512 3.462 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000113323935 454922810 /nfs/dbraw/zinc/92/28/10/454922810.db2.gz YZKKLRXHLZZUTN-INIZCTEOSA-N 2 2 345.512 3.462 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000151259780 454959842 /nfs/dbraw/zinc/95/98/42/454959842.db2.gz FJCUWMMYFIYTJF-UONOGXRCSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000151259657 454960003 /nfs/dbraw/zinc/96/00/03/454960003.db2.gz FJCUWMMYFIYTJF-KBPBESRZSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151264337 454960834 /nfs/dbraw/zinc/96/08/34/454960834.db2.gz PDFMJEXARJJRPU-DZGCQCFKSA-N 2 2 325.522 3.072 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000151343219 454972528 /nfs/dbraw/zinc/97/25/28/454972528.db2.gz CYALQWZEDSLJHA-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP c1ccc(-c2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000114717215 454972891 /nfs/dbraw/zinc/97/28/91/454972891.db2.gz XONVWFNKJNSBHJ-HNNXBMFYSA-N 2 2 335.411 3.066 10 0 EGAELP c1ccc(-c2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000114717215 454972896 /nfs/dbraw/zinc/97/28/96/454972896.db2.gz XONVWFNKJNSBHJ-HNNXBMFYSA-N 2 2 335.411 3.066 10 0 EGAELP CCc1noc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000114746204 454975736 /nfs/dbraw/zinc/97/57/36/454975736.db2.gz AUNPOXOJZRCVGP-HNNXBMFYSA-N 2 2 328.460 3.469 10 0 EGAELP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCCO2 ZINC000151490869 454992926 /nfs/dbraw/zinc/99/29/26/454992926.db2.gz HQSZDMPIQSSTAK-QGZVFWFLSA-N 2 2 338.386 3.410 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156488194 455124552 /nfs/dbraw/zinc/12/45/52/455124552.db2.gz FHHAFTJGCNRMGL-CRAIPNDOSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156488194 455124554 /nfs/dbraw/zinc/12/45/54/455124554.db2.gz FHHAFTJGCNRMGL-CRAIPNDOSA-N 2 2 326.444 3.022 10 0 EGAELP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1O ZINC000180166019 455142822 /nfs/dbraw/zinc/14/28/22/455142822.db2.gz JIRJSFWIJFXFRG-OAHLLOKOSA-N 2 2 341.455 3.111 10 0 EGAELP C[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000237375795 455179386 /nfs/dbraw/zinc/17/93/86/455179386.db2.gz OSBAHLSVDGRPGT-ZDUSSCGKSA-N 2 2 327.350 3.250 10 0 EGAELP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173536344 455302536 /nfs/dbraw/zinc/30/25/36/455302536.db2.gz RIMJYHZSNSXTKW-MJGOQNOKSA-N 2 2 346.519 3.027 10 0 EGAELP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173536344 455302540 /nfs/dbraw/zinc/30/25/40/455302540.db2.gz RIMJYHZSNSXTKW-MJGOQNOKSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173536344 455302542 /nfs/dbraw/zinc/30/25/42/455302542.db2.gz RIMJYHZSNSXTKW-MJGOQNOKSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173536344 455302546 /nfs/dbraw/zinc/30/25/46/455302546.db2.gz RIMJYHZSNSXTKW-MJGOQNOKSA-N 2 2 346.519 3.027 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190467382 455323748 /nfs/dbraw/zinc/32/37/48/455323748.db2.gz MALQZVKSZMEVPB-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190467382 455323750 /nfs/dbraw/zinc/32/37/50/455323750.db2.gz MALQZVKSZMEVPB-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190467382 455323754 /nfs/dbraw/zinc/32/37/54/455323754.db2.gz MALQZVKSZMEVPB-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190467382 455323759 /nfs/dbraw/zinc/32/37/59/455323759.db2.gz MALQZVKSZMEVPB-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936530 455338734 /nfs/dbraw/zinc/33/87/34/455338734.db2.gz WEBFWCSMOSKKQR-GUYCJALGSA-N 2 2 336.863 3.123 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936530 455338741 /nfs/dbraw/zinc/33/87/41/455338741.db2.gz WEBFWCSMOSKKQR-GUYCJALGSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936530 455338746 /nfs/dbraw/zinc/33/87/46/455338746.db2.gz WEBFWCSMOSKKQR-GUYCJALGSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936530 455338753 /nfs/dbraw/zinc/33/87/53/455338753.db2.gz WEBFWCSMOSKKQR-GUYCJALGSA-N 2 2 336.863 3.123 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265526892 455338913 /nfs/dbraw/zinc/33/89/13/455338913.db2.gz UKBUHZIBDAVTJF-UHFFFAOYSA-N 2 2 340.471 3.353 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000181987652 455411459 /nfs/dbraw/zinc/41/14/59/455411459.db2.gz VSFIDEKTVKESIG-CRAIPNDOSA-N 2 2 326.431 3.098 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000266826819 455458133 /nfs/dbraw/zinc/45/81/33/455458133.db2.gz DAOOVHSFCYVKOE-QAPCUYQASA-N 2 2 349.544 3.002 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000266826819 455458135 /nfs/dbraw/zinc/45/81/35/455458135.db2.gz DAOOVHSFCYVKOE-QAPCUYQASA-N 2 2 349.544 3.002 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000184991720 455482627 /nfs/dbraw/zinc/48/26/27/455482627.db2.gz WDOSAHOQUZYVOF-DYVFJYSZSA-N 2 2 349.837 3.342 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000184991720 455482628 /nfs/dbraw/zinc/48/26/28/455482628.db2.gz WDOSAHOQUZYVOF-DYVFJYSZSA-N 2 2 349.837 3.342 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246820048 455527497 /nfs/dbraw/zinc/52/74/97/455527497.db2.gz BCVJLGJWWSZGHA-ZRGWGRIASA-N 2 2 344.503 3.350 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246820048 455527500 /nfs/dbraw/zinc/52/75/00/455527500.db2.gz BCVJLGJWWSZGHA-ZRGWGRIASA-N 2 2 344.503 3.350 10 0 EGAELP CC(C)c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000182562162 455540727 /nfs/dbraw/zinc/54/07/27/455540727.db2.gz BEXHOAHJJXBBHE-JWTNVVGKSA-N 2 2 348.560 3.009 10 0 EGAELP CC(C)c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000182562162 455540729 /nfs/dbraw/zinc/54/07/29/455540729.db2.gz BEXHOAHJJXBBHE-JWTNVVGKSA-N 2 2 348.560 3.009 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251097 455579297 /nfs/dbraw/zinc/57/92/97/455579297.db2.gz ZSLNGPJCELFFLF-UKRRQHHQSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251097 455579299 /nfs/dbraw/zinc/57/92/99/455579299.db2.gz ZSLNGPJCELFFLF-UKRRQHHQSA-N 2 2 347.894 3.222 10 0 EGAELP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000606570451 460698190 /nfs/dbraw/zinc/69/81/90/460698190.db2.gz UZHKPVSRRAYWDH-UHFFFAOYSA-N 2 2 343.475 3.228 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000272381347 455932626 /nfs/dbraw/zinc/93/26/26/455932626.db2.gz DWPNHCQZSSINEP-LEUOFYLZSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000272381347 455932628 /nfs/dbraw/zinc/93/26/28/455932628.db2.gz DWPNHCQZSSINEP-LEUOFYLZSA-N 2 2 339.487 3.213 10 0 EGAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702165 455940874 /nfs/dbraw/zinc/94/08/74/455940874.db2.gz TXPUBCWFXMVTTH-OXJNMPFZSA-N 2 2 326.488 3.434 10 0 EGAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702165 455940877 /nfs/dbraw/zinc/94/08/77/455940877.db2.gz TXPUBCWFXMVTTH-OXJNMPFZSA-N 2 2 326.488 3.434 10 0 EGAELP COc1ccc([C@H]2[C@H](CNc3cc(C)[nH+]cn3)CCC[N@@H+]2C)cc1 ZINC000301292415 456083427 /nfs/dbraw/zinc/08/34/27/456083427.db2.gz NYHFIFLWKLCYNP-LPHOPBHVSA-N 2 2 326.444 3.289 10 0 EGAELP COc1ccc([C@H]2[C@H](CNc3cc(C)[nH+]cn3)CCC[N@H+]2C)cc1 ZINC000301292415 456083429 /nfs/dbraw/zinc/08/34/29/456083429.db2.gz NYHFIFLWKLCYNP-LPHOPBHVSA-N 2 2 326.444 3.289 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281022695 456112064 /nfs/dbraw/zinc/11/20/64/456112064.db2.gz MKNOXTCBYPQLQD-UAGQMJEPSA-N 2 2 327.428 3.255 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Br)c1 ZINC000289999579 456211803 /nfs/dbraw/zinc/21/18/03/456211803.db2.gz LAHBUMXAYAIIQK-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Br)c1 ZINC000289999579 456211808 /nfs/dbraw/zinc/21/18/08/456211808.db2.gz LAHBUMXAYAIIQK-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000289999579 456211813 /nfs/dbraw/zinc/21/18/13/456211813.db2.gz LAHBUMXAYAIIQK-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000289999579 456211819 /nfs/dbraw/zinc/21/18/19/456211819.db2.gz LAHBUMXAYAIIQK-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000333524315 456228545 /nfs/dbraw/zinc/22/85/45/456228545.db2.gz WXKAUTCNRPKKHT-AWEZNQCLSA-N 2 2 342.491 3.015 10 0 EGAELP CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000333524315 456228551 /nfs/dbraw/zinc/22/85/51/456228551.db2.gz WXKAUTCNRPKKHT-AWEZNQCLSA-N 2 2 342.491 3.015 10 0 EGAELP CC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302186520 456310765 /nfs/dbraw/zinc/31/07/65/456310765.db2.gz PQDNFCDIZOMSHO-YOEHRIQHSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](Nc2cc(C)[nH+]cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302186520 456310769 /nfs/dbraw/zinc/31/07/69/456310769.db2.gz PQDNFCDIZOMSHO-YOEHRIQHSA-N 2 2 336.361 3.450 10 0 EGAELP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823513 456339462 /nfs/dbraw/zinc/33/94/62/456339462.db2.gz NPSWDTIJGVPFDC-UYAOXDASSA-N 3 2 342.531 3.176 10 0 EGAELP C[C@@H]([NH2+]CCCCC1(C)OCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298557701 456490565 /nfs/dbraw/zinc/49/05/65/456490565.db2.gz VPVFCTZEWRQLSW-MRXNPFEDSA-N 2 2 329.444 3.456 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777469 462263235 /nfs/dbraw/zinc/26/32/35/462263235.db2.gz QVEIBWLUZJFRLM-WBVHZDCISA-N 2 2 338.442 3.352 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777469 462263238 /nfs/dbraw/zinc/26/32/38/462263238.db2.gz QVEIBWLUZJFRLM-WBVHZDCISA-N 2 2 338.442 3.352 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054223 456512510 /nfs/dbraw/zinc/51/25/10/456512510.db2.gz CJVXXKGRESCLRC-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054223 456512514 /nfs/dbraw/zinc/51/25/14/456512514.db2.gz CJVXXKGRESCLRC-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054223 456512517 /nfs/dbraw/zinc/51/25/17/456512517.db2.gz CJVXXKGRESCLRC-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054223 456512521 /nfs/dbraw/zinc/51/25/21/456512521.db2.gz CJVXXKGRESCLRC-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000340596019 456556587 /nfs/dbraw/zinc/55/65/87/456556587.db2.gz NCGZZSJYERSGHA-UHFFFAOYSA-N 2 2 339.483 3.161 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032879 456577726 /nfs/dbraw/zinc/57/77/26/456577726.db2.gz YRDFYWNKJBCMFL-HZPDHXFCSA-N 2 2 327.513 3.144 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032879 456577734 /nfs/dbraw/zinc/57/77/34/456577734.db2.gz YRDFYWNKJBCMFL-HZPDHXFCSA-N 2 2 327.513 3.144 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704405 456598535 /nfs/dbraw/zinc/59/85/35/456598535.db2.gz AJTPZHAMBIFRTE-KXBFYZLASA-N 2 2 341.503 3.046 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704405 456598539 /nfs/dbraw/zinc/59/85/39/456598539.db2.gz AJTPZHAMBIFRTE-KXBFYZLASA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704405 456598543 /nfs/dbraw/zinc/59/85/43/456598543.db2.gz AJTPZHAMBIFRTE-KXBFYZLASA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704405 456598546 /nfs/dbraw/zinc/59/85/46/456598546.db2.gz AJTPZHAMBIFRTE-KXBFYZLASA-N 2 2 341.503 3.046 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279743 456636459 /nfs/dbraw/zinc/63/64/59/456636459.db2.gz IHDHPYHPPOADNJ-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279743 456636465 /nfs/dbraw/zinc/63/64/65/456636465.db2.gz IHDHPYHPPOADNJ-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP CSCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348390171 456660725 /nfs/dbraw/zinc/66/07/25/456660725.db2.gz JNOLQWHDDDYFDQ-CYBMUJFWSA-N 2 2 332.473 3.089 10 0 EGAELP CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348390171 456660734 /nfs/dbraw/zinc/66/07/34/456660734.db2.gz JNOLQWHDDDYFDQ-CYBMUJFWSA-N 2 2 332.473 3.089 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343507450 456666953 /nfs/dbraw/zinc/66/69/53/456666953.db2.gz XZXOZNRWPQIMSS-IPMKNSEASA-N 2 2 331.504 3.117 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343507450 456666957 /nfs/dbraw/zinc/66/69/57/456666957.db2.gz XZXOZNRWPQIMSS-IPMKNSEASA-N 2 2 331.504 3.117 10 0 EGAELP COCc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349344621 456947495 /nfs/dbraw/zinc/94/74/95/456947495.db2.gz HXWVPLQZFFDALO-UHFFFAOYSA-N 2 2 334.489 3.178 10 0 EGAELP Cc1ccc(CCC[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c[nH+]1 ZINC000353940950 456973635 /nfs/dbraw/zinc/97/36/35/456973635.db2.gz DRXZFMUYXZDZHQ-UHFFFAOYSA-N 2 2 337.467 3.217 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339183269 456981305 /nfs/dbraw/zinc/98/13/05/456981305.db2.gz ZVWJAUCFKVAZQJ-OCCSQVGLSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176383 457112369 /nfs/dbraw/zinc/11/23/69/457112369.db2.gz KEQNKRVUZDNOLR-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176383 457112373 /nfs/dbraw/zinc/11/23/73/457112373.db2.gz KEQNKRVUZDNOLR-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176383 457112374 /nfs/dbraw/zinc/11/23/74/457112374.db2.gz KEQNKRVUZDNOLR-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176383 457112377 /nfs/dbraw/zinc/11/23/77/457112377.db2.gz KEQNKRVUZDNOLR-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[nH]1 ZINC000362996946 457188979 /nfs/dbraw/zinc/18/89/79/457188979.db2.gz NEDJGDDVJTYGBD-VXGBXAGGSA-N 2 2 330.461 3.416 10 0 EGAELP CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[nH]1 ZINC000362996944 457189407 /nfs/dbraw/zinc/18/94/07/457189407.db2.gz NEDJGDDVJTYGBD-NWDGAFQWSA-N 2 2 330.461 3.416 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000342418138 457292183 /nfs/dbraw/zinc/29/21/83/457292183.db2.gz OBUDHWIWBWYFLR-CQSZACIVSA-N 2 2 329.400 3.166 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503540 /nfs/dbraw/zinc/50/35/40/457503540.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 3 2 330.520 3.275 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503547 /nfs/dbraw/zinc/50/35/47/457503547.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 3 2 330.520 3.275 10 0 EGAELP c1nc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503554 /nfs/dbraw/zinc/50/35/54/457503554.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 2 2 330.520 3.275 10 0 EGAELP c1nc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503562 /nfs/dbraw/zinc/50/35/62/457503562.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 2 2 330.520 3.275 10 0 EGAELP c1[nH+]c([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503570 /nfs/dbraw/zinc/50/35/70/457503570.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 2 2 330.520 3.275 10 0 EGAELP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cc1 ZINC000374209546 457522740 /nfs/dbraw/zinc/52/27/40/457522740.db2.gz CHDGTYVFZKOGSF-LJQANCHMSA-N 2 2 338.455 3.093 10 0 EGAELP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000374209546 457522748 /nfs/dbraw/zinc/52/27/48/457522748.db2.gz CHDGTYVFZKOGSF-LJQANCHMSA-N 2 2 338.455 3.093 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214589 457526832 /nfs/dbraw/zinc/52/68/32/457526832.db2.gz YHDSCESEFWTRDF-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000425420484 457545405 /nfs/dbraw/zinc/54/54/05/457545405.db2.gz MKQRSWPEBVSJEX-OXJNMPFZSA-N 2 2 333.439 3.423 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000425420484 457545412 /nfs/dbraw/zinc/54/54/12/457545412.db2.gz MKQRSWPEBVSJEX-OXJNMPFZSA-N 2 2 333.439 3.423 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000433063667 457657580 /nfs/dbraw/zinc/65/75/80/457657580.db2.gz YPHUURVSMLXKBE-MJGOQNOKSA-N 2 2 328.500 3.182 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000433063667 457657585 /nfs/dbraw/zinc/65/75/85/457657585.db2.gz YPHUURVSMLXKBE-MJGOQNOKSA-N 2 2 328.500 3.182 10 0 EGAELP CCOC(=O)[C@H](C)[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361313780 457690050 /nfs/dbraw/zinc/69/00/50/457690050.db2.gz OQQDWBMGVRAQMN-HNNXBMFYSA-N 2 2 331.460 3.398 10 0 EGAELP CCOC(=O)[C@H](C)[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361313780 457690052 /nfs/dbraw/zinc/69/00/52/457690052.db2.gz OQQDWBMGVRAQMN-HNNXBMFYSA-N 2 2 331.460 3.398 10 0 EGAELP Oc1cccnc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361441432 457733083 /nfs/dbraw/zinc/73/30/83/457733083.db2.gz AFWMZZHDZWIFLN-UHFFFAOYSA-N 2 2 331.847 3.195 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000361456092 457737898 /nfs/dbraw/zinc/73/78/98/457737898.db2.gz HWBQLHOYAHPWNN-MNEFBYGVSA-N 2 2 330.497 3.424 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000361456092 457737901 /nfs/dbraw/zinc/73/79/01/457737901.db2.gz HWBQLHOYAHPWNN-MNEFBYGVSA-N 2 2 330.497 3.424 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000361519202 457766509 /nfs/dbraw/zinc/76/65/09/457766509.db2.gz MVXSXOIDWAUIFF-CYBMUJFWSA-N 2 2 333.382 3.252 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000358088884 457778476 /nfs/dbraw/zinc/77/84/76/457778476.db2.gz REJMGMJNNNSHJO-APWZRJJASA-N 2 2 340.467 3.314 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000358088884 457778483 /nfs/dbraw/zinc/77/84/83/457778483.db2.gz REJMGMJNNNSHJO-APWZRJJASA-N 2 2 340.467 3.314 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000433787446 457885001 /nfs/dbraw/zinc/88/50/01/457885001.db2.gz UZHFBHAXLKKBBA-ZBFHGGJFSA-N 2 2 327.476 3.357 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000433787446 457885006 /nfs/dbraw/zinc/88/50/06/457885006.db2.gz UZHFBHAXLKKBBA-ZBFHGGJFSA-N 2 2 327.476 3.357 10 0 EGAELP COC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000361922860 457955971 /nfs/dbraw/zinc/95/59/71/457955971.db2.gz CCMBEKOXAYGQQA-CLPROHDKSA-N 2 2 331.504 3.087 10 0 EGAELP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000361922860 457955978 /nfs/dbraw/zinc/95/59/78/457955978.db2.gz CCMBEKOXAYGQQA-CLPROHDKSA-N 2 2 331.504 3.087 10 0 EGAELP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000427961746 458057058 /nfs/dbraw/zinc/05/70/58/458057058.db2.gz AYXIKPQPRZYOMY-UHFFFAOYSA-N 2 2 349.478 3.412 10 0 EGAELP CCCNC(=O)C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000428077459 458074902 /nfs/dbraw/zinc/07/49/02/458074902.db2.gz FHBRBQBBNHWFEY-UHFFFAOYSA-N 2 2 346.500 3.253 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+](Cc2ccccc2)C1 ZINC000434988438 458075923 /nfs/dbraw/zinc/07/59/23/458075923.db2.gz SEBUVYNVWGECQV-UYAOXDASSA-N 2 2 342.527 3.429 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000434988438 458075928 /nfs/dbraw/zinc/07/59/28/458075928.db2.gz SEBUVYNVWGECQV-UYAOXDASSA-N 2 2 342.527 3.429 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+](Cc2ccccc2)C1 ZINC000434988437 458076727 /nfs/dbraw/zinc/07/67/27/458076727.db2.gz SEBUVYNVWGECQV-QUCCMNQESA-N 2 2 342.527 3.429 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000434988437 458076734 /nfs/dbraw/zinc/07/67/34/458076734.db2.gz SEBUVYNVWGECQV-QUCCMNQESA-N 2 2 342.527 3.429 10 0 EGAELP O=c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)[nH]1 ZINC000459335224 458334032 /nfs/dbraw/zinc/33/40/32/458334032.db2.gz HRTVXOMZTGUHRS-INIZCTEOSA-N 2 2 344.503 3.148 10 0 EGAELP Cn1c[nH+]cc1CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000459334719 458334081 /nfs/dbraw/zinc/33/40/81/458334081.db2.gz AFHMCWIPGSUIGG-UHFFFAOYSA-N 2 2 326.419 3.463 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531302 458340234 /nfs/dbraw/zinc/34/02/34/458340234.db2.gz VFYQSJAWYCNXMC-QUCCMNQESA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531302 458340235 /nfs/dbraw/zinc/34/02/35/458340235.db2.gz VFYQSJAWYCNXMC-QUCCMNQESA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531300 458340525 /nfs/dbraw/zinc/34/05/25/458340525.db2.gz VFYQSJAWYCNXMC-ICSRJNTNSA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531300 458340532 /nfs/dbraw/zinc/34/05/32/458340532.db2.gz VFYQSJAWYCNXMC-ICSRJNTNSA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH+]1CCCCCC1)C2 ZINC000376682673 458368208 /nfs/dbraw/zinc/36/82/08/458368208.db2.gz VYYIUKVUZKYQRI-MRXNPFEDSA-N 2 2 346.519 3.020 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH+]1CCCCCC1)CC2 ZINC000376682673 458368214 /nfs/dbraw/zinc/36/82/14/458368214.db2.gz VYYIUKVUZKYQRI-MRXNPFEDSA-N 2 2 346.519 3.020 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423517542 458450222 /nfs/dbraw/zinc/45/02/22/458450222.db2.gz YYRPDBAHXUKKIU-LIRRHRJNSA-N 2 2 346.496 3.003 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798992 458532841 /nfs/dbraw/zinc/53/28/41/458532841.db2.gz PJZFBCINQYOTBY-CJNGLKHVSA-N 2 2 341.459 3.148 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798992 458532844 /nfs/dbraw/zinc/53/28/44/458532844.db2.gz PJZFBCINQYOTBY-CJNGLKHVSA-N 2 2 341.459 3.148 10 0 EGAELP CCC(CC)(C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083499 458549633 /nfs/dbraw/zinc/54/96/33/458549633.db2.gz DTVSCVNTONWHFU-RDJZCZTQSA-N 2 2 334.504 3.301 10 0 EGAELP CCC(CC)(C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083499 458549637 /nfs/dbraw/zinc/54/96/37/458549637.db2.gz DTVSCVNTONWHFU-RDJZCZTQSA-N 2 2 334.504 3.301 10 0 EGAELP CC(C)n1cncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000424153491 458572788 /nfs/dbraw/zinc/57/27/88/458572788.db2.gz ILBOCPCHCIUSKX-MRXNPFEDSA-N 2 2 327.476 3.174 10 0 EGAELP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000424199818 458582987 /nfs/dbraw/zinc/58/29/87/458582987.db2.gz QIFJQGFEHLIFPM-UXHICEINSA-N 2 2 325.431 3.273 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304528 458610624 /nfs/dbraw/zinc/61/06/24/458610624.db2.gz QWPYBVJPLFKGRK-RTJUMIHMSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304528 458610626 /nfs/dbraw/zinc/61/06/26/458610626.db2.gz QWPYBVJPLFKGRK-RTJUMIHMSA-N 2 2 328.500 3.443 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000462788125 458654222 /nfs/dbraw/zinc/65/42/22/458654222.db2.gz DVVHJOYYPQRKKO-ROUUACIJSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000462788125 458654229 /nfs/dbraw/zinc/65/42/29/458654229.db2.gz DVVHJOYYPQRKKO-ROUUACIJSA-N 2 2 330.472 3.358 10 0 EGAELP c1cn(Cc2ccccc2)c(CNc2ccc3c(c2)OCC[NH2+]C3)[nH+]1 ZINC000530181816 458710535 /nfs/dbraw/zinc/71/05/35/458710535.db2.gz OFLJILWCNKTYEX-UHFFFAOYSA-N 2 2 334.423 3.026 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217163 458720178 /nfs/dbraw/zinc/72/01/78/458720178.db2.gz FMYZOSKASJHPHZ-CABCVRRESA-N 2 2 339.252 3.450 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000530244346 458729347 /nfs/dbraw/zinc/72/93/47/458729347.db2.gz ODHBMWRBSUPERH-IAGOWNOFSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000530244346 458729353 /nfs/dbraw/zinc/72/93/53/458729353.db2.gz ODHBMWRBSUPERH-IAGOWNOFSA-N 2 2 342.405 3.345 10 0 EGAELP CC[N@H+](Cc1cocn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432746903 458780125 /nfs/dbraw/zinc/78/01/25/458780125.db2.gz GGBJEDTWZDFYNN-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP CC[N@@H+](Cc1cocn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432746903 458780128 /nfs/dbraw/zinc/78/01/28/458780128.db2.gz GGBJEDTWZDFYNN-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP C[NH+](C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(Cl)c1 ZINC000531434847 458917933 /nfs/dbraw/zinc/91/79/33/458917933.db2.gz AAPURMKLCYFQHF-KRWDZBQOSA-N 2 2 346.862 3.072 10 0 EGAELP C[NH+](C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000531434847 458917940 /nfs/dbraw/zinc/91/79/40/458917940.db2.gz AAPURMKLCYFQHF-KRWDZBQOSA-N 2 2 346.862 3.072 10 0 EGAELP CC(C)c1nc(NC[C@@H]2CCc3[nH+]ccn3C2)cc(C(C)(C)C)[nH+]1 ZINC000467973189 458994114 /nfs/dbraw/zinc/99/41/14/458994114.db2.gz AQALCXQAKISDMP-AWEZNQCLSA-N 2 2 327.476 3.190 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3ccccc3n2)[C@H](C)C1 ZINC000559892018 459283315 /nfs/dbraw/zinc/28/33/15/459283315.db2.gz ATPORMWTLPMEHA-SQNIBIBYSA-N 2 2 344.503 3.122 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3ccccc3n2)[C@H](C)C1 ZINC000559892018 459283322 /nfs/dbraw/zinc/28/33/22/459283322.db2.gz ATPORMWTLPMEHA-SQNIBIBYSA-N 2 2 344.503 3.122 10 0 EGAELP Fc1ccc2c(cc[nH+]c2NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000568756016 459339425 /nfs/dbraw/zinc/33/94/25/459339425.db2.gz GCTAXMUPMYOEID-UHFFFAOYSA-N 2 2 336.414 3.267 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000569434402 459449086 /nfs/dbraw/zinc/44/90/86/459449086.db2.gz JXRGTZDPTKHMSZ-ICSRJNTNSA-N 3 2 329.532 3.013 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000569434402 459449088 /nfs/dbraw/zinc/44/90/88/459449088.db2.gz JXRGTZDPTKHMSZ-ICSRJNTNSA-N 3 2 329.532 3.013 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866858 459457442 /nfs/dbraw/zinc/45/74/42/459457442.db2.gz HYSCQOYHIXYQSP-QZTJIDSGSA-N 2 2 340.471 3.472 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866858 459457446 /nfs/dbraw/zinc/45/74/46/459457446.db2.gz HYSCQOYHIXYQSP-QZTJIDSGSA-N 2 2 340.471 3.472 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591866986 459457668 /nfs/dbraw/zinc/45/76/68/459457668.db2.gz LICJTJJNOQBBIC-CQSZACIVSA-N 2 2 343.456 3.264 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591866986 459457671 /nfs/dbraw/zinc/45/76/71/459457671.db2.gz LICJTJJNOQBBIC-CQSZACIVSA-N 2 2 343.456 3.264 10 0 EGAELP Cc1ccccc1Cc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)no1 ZINC000562454497 459565327 /nfs/dbraw/zinc/56/53/27/459565327.db2.gz OBJGZMPVJZCJSE-UHFFFAOYSA-N 2 2 337.427 3.072 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)n2c1 ZINC000592380059 459587579 /nfs/dbraw/zinc/58/75/79/459587579.db2.gz QCIJGLACCCXMAQ-LSDHHAIUSA-N 2 2 329.444 3.243 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325115 459629691 /nfs/dbraw/zinc/62/96/91/459629691.db2.gz JHWCAGXCMCTUEF-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325115 459629693 /nfs/dbraw/zinc/62/96/93/459629693.db2.gz JHWCAGXCMCTUEF-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325115 459629695 /nfs/dbraw/zinc/62/96/95/459629695.db2.gz JHWCAGXCMCTUEF-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325115 459629696 /nfs/dbraw/zinc/62/96/96/459629696.db2.gz JHWCAGXCMCTUEF-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP C[C@H](O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000543397478 459652309 /nfs/dbraw/zinc/65/23/09/459652309.db2.gz PBPDBQWCCKJFMA-HNNXBMFYSA-N 2 2 327.453 3.317 10 0 EGAELP C[C@H](O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000543397478 459652315 /nfs/dbraw/zinc/65/23/15/459652315.db2.gz PBPDBQWCCKJFMA-HNNXBMFYSA-N 2 2 327.453 3.317 10 0 EGAELP C[C@H](CC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000500728241 459692547 /nfs/dbraw/zinc/69/25/47/459692547.db2.gz DXOWHNDVPJUKAX-QGZVFWFLSA-N 2 2 337.552 3.125 10 0 EGAELP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000596650833 459714644 /nfs/dbraw/zinc/71/46/44/459714644.db2.gz RORBDKRJALKZBK-IAOVAPTHSA-N 2 2 344.480 3.331 10 0 EGAELP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527751057 459725146 /nfs/dbraw/zinc/72/51/46/459725146.db2.gz FKJYUQMRGUYGBT-OAQYLSRUSA-N 2 2 346.515 3.346 10 0 EGAELP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527751057 459725152 /nfs/dbraw/zinc/72/51/52/459725152.db2.gz FKJYUQMRGUYGBT-OAQYLSRUSA-N 2 2 346.515 3.346 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2ccc(Br)c(F)c2F)n1C ZINC000527792002 459738111 /nfs/dbraw/zinc/73/81/11/459738111.db2.gz PWCBYINWKIWVCR-UHFFFAOYSA-N 2 2 330.176 3.059 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000527812610 459747805 /nfs/dbraw/zinc/74/78/05/459747805.db2.gz VJLKUYSCCSAHRF-LJQANCHMSA-N 2 2 342.462 3.333 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000527812610 459747811 /nfs/dbraw/zinc/74/78/11/459747811.db2.gz VJLKUYSCCSAHRF-LJQANCHMSA-N 2 2 342.462 3.333 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000544352718 459750386 /nfs/dbraw/zinc/75/03/86/459750386.db2.gz JWVIHYKNIUZFJC-NRFANRHFSA-N 2 2 348.450 3.458 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000544352718 459750394 /nfs/dbraw/zinc/75/03/94/459750394.db2.gz JWVIHYKNIUZFJC-NRFANRHFSA-N 2 2 348.450 3.458 10 0 EGAELP Cc1c[nH+]cn1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000527985159 459788006 /nfs/dbraw/zinc/78/80/06/459788006.db2.gz ZAEOQIIHQOMJIP-UHFFFAOYSA-N 2 2 335.411 3.030 10 0 EGAELP COC(=O)c1oc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000597061282 459828528 /nfs/dbraw/zinc/82/85/28/459828528.db2.gz QQPBNGHPAXZANL-UHFFFAOYSA-N 2 2 334.460 3.261 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000597177763 459863679 /nfs/dbraw/zinc/86/36/79/459863679.db2.gz OPERUHNFNGQDKO-SFHVURJKSA-N 2 2 336.520 3.497 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCCOC1 ZINC000545922870 459873408 /nfs/dbraw/zinc/87/34/08/459873408.db2.gz VVSBSWORWWRGBW-JVSBHGNQSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCCOC1 ZINC000545922870 459873412 /nfs/dbraw/zinc/87/34/12/459873412.db2.gz VVSBSWORWWRGBW-JVSBHGNQSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@H]1CCCOC1)[C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000545922870 459873415 /nfs/dbraw/zinc/87/34/15/459873415.db2.gz VVSBSWORWWRGBW-JVSBHGNQSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@H]1CCCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000545922870 459873418 /nfs/dbraw/zinc/87/34/18/459873418.db2.gz VVSBSWORWWRGBW-JVSBHGNQSA-N 2 2 338.536 3.014 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000574839032 459879758 /nfs/dbraw/zinc/87/97/58/459879758.db2.gz FSAFEGQNNRAFHR-ZDUSSCGKSA-N 2 2 340.431 3.107 10 0 EGAELP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000613994692 459985702 /nfs/dbraw/zinc/98/57/02/459985702.db2.gz AJFVISOSJSUYBD-IAGOWNOFSA-N 2 2 345.446 3.169 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625382857 460153002 /nfs/dbraw/zinc/15/30/02/460153002.db2.gz HGSXAUSQUAYLFB-UHFFFAOYSA-N 2 2 343.471 3.177 10 0 EGAELP Cc1ccc2sc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)nc2c1 ZINC000625563480 460206979 /nfs/dbraw/zinc/20/69/79/460206979.db2.gz RIZJUFITTCNAKN-OAHLLOKOSA-N 2 2 333.501 3.147 10 0 EGAELP Cc1ccc2sc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)nc2c1 ZINC000625563480 460206984 /nfs/dbraw/zinc/20/69/84/460206984.db2.gz RIZJUFITTCNAKN-OAHLLOKOSA-N 2 2 333.501 3.147 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000623089134 460408055 /nfs/dbraw/zinc/40/80/55/460408055.db2.gz WDXLONXHZRKBDJ-UHFFFAOYSA-N 2 2 334.414 3.143 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771080 460439198 /nfs/dbraw/zinc/43/91/98/460439198.db2.gz MJQDQICMVGZKIS-STQMWFEESA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771080 460439201 /nfs/dbraw/zinc/43/92/01/460439201.db2.gz MJQDQICMVGZKIS-STQMWFEESA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000631659208 460493924 /nfs/dbraw/zinc/49/39/24/460493924.db2.gz KKGXIZMINNBOMK-BTJLNZGRSA-N 2 2 326.843 3.117 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000631659208 460493927 /nfs/dbraw/zinc/49/39/27/460493927.db2.gz KKGXIZMINNBOMK-BTJLNZGRSA-N 2 2 326.843 3.117 10 0 EGAELP C[C@@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628773036 460539102 /nfs/dbraw/zinc/53/91/02/460539102.db2.gz JNYLRZZYZMURBH-LOUJCGABSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628773036 460539107 /nfs/dbraw/zinc/53/91/07/460539107.db2.gz JNYLRZZYZMURBH-LOUJCGABSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421628 460539106 /nfs/dbraw/zinc/53/91/06/460539106.db2.gz TYXKYOFFEGKLJX-LRGNLBRXSA-N 2 2 328.500 3.038 10 0 EGAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421628 460539113 /nfs/dbraw/zinc/53/91/13/460539113.db2.gz TYXKYOFFEGKLJX-LRGNLBRXSA-N 2 2 328.500 3.038 10 0 EGAELP c1c[nH+]c(C2CCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CC2)[nH]1 ZINC000623911375 460772518 /nfs/dbraw/zinc/77/25/18/460772518.db2.gz ZJQHTWAORQWKDS-UHFFFAOYSA-N 2 2 346.438 3.104 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000629547968 460803662 /nfs/dbraw/zinc/80/36/62/460803662.db2.gz MTXFXOPQQWSDQH-BIMULSAOSA-N 2 2 327.291 3.326 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629600766 460822836 /nfs/dbraw/zinc/82/28/36/460822836.db2.gz DGEFRYPIFYWCRG-MOPGFXCFSA-N 2 2 346.515 3.156 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629600766 460822843 /nfs/dbraw/zinc/82/28/43/460822843.db2.gz DGEFRYPIFYWCRG-MOPGFXCFSA-N 2 2 346.515 3.156 10 0 EGAELP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755579 460900589 /nfs/dbraw/zinc/90/05/89/460900589.db2.gz VBSQHHYCZMFEPE-FCHUYYIVSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755579 460900592 /nfs/dbraw/zinc/90/05/92/460900592.db2.gz VBSQHHYCZMFEPE-FCHUYYIVSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607755579 460900594 /nfs/dbraw/zinc/90/05/94/460900594.db2.gz VBSQHHYCZMFEPE-FCHUYYIVSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607755579 460900596 /nfs/dbraw/zinc/90/05/96/460900596.db2.gz VBSQHHYCZMFEPE-FCHUYYIVSA-N 2 2 340.511 3.432 10 0 EGAELP Cc1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000628201789 461047375 /nfs/dbraw/zinc/04/73/75/461047375.db2.gz VLSAHHUEYUVTQG-GASCZTMLSA-N 2 2 343.471 3.190 10 0 EGAELP c1cc2[nH+]ccc(NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)c2s1 ZINC000624705258 461096035 /nfs/dbraw/zinc/09/60/35/461096035.db2.gz JNCOXUBECOWSMD-OAHLLOKOSA-N 2 2 340.452 3.004 10 0 EGAELP c1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)c2s1 ZINC000624705258 461096038 /nfs/dbraw/zinc/09/60/38/461096038.db2.gz JNCOXUBECOWSMD-OAHLLOKOSA-N 2 2 340.452 3.004 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2[nH+]1 ZINC000668153998 461139726 /nfs/dbraw/zinc/13/97/26/461139726.db2.gz BMPNPLXELXBTSO-GASCZTMLSA-N 2 2 329.448 3.027 10 0 EGAELP Cc1cn2ccc(NC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2[nH+]1 ZINC000668153998 461139733 /nfs/dbraw/zinc/13/97/33/461139733.db2.gz BMPNPLXELXBTSO-GASCZTMLSA-N 2 2 329.448 3.027 10 0 EGAELP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662244568 461140403 /nfs/dbraw/zinc/14/04/03/461140403.db2.gz DPSDQRYCVDTHIK-SECBINFHSA-N 2 2 332.673 3.057 10 0 EGAELP c1cn(C2CC[NH+](Cc3nnn(-c4ccccc4)c3C3CC3)CC2)c[nH+]1 ZINC000637982339 461168777 /nfs/dbraw/zinc/16/87/77/461168777.db2.gz BNXCCIJBOLMEFQ-UHFFFAOYSA-N 2 2 348.454 3.178 10 0 EGAELP [NH3+][C@@H]1CCc2ccccc2N(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000662302792 461179688 /nfs/dbraw/zinc/17/96/88/461179688.db2.gz PCCIEJFBSDEAOE-LJQANCHMSA-N 2 2 332.451 3.212 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000662316695 461187322 /nfs/dbraw/zinc/18/73/22/461187322.db2.gz LXTFVJOTLWWSBY-OAHLLOKOSA-N 2 2 330.394 3.248 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000662316695 461187327 /nfs/dbraw/zinc/18/73/27/461187327.db2.gz LXTFVJOTLWWSBY-OAHLLOKOSA-N 2 2 330.394 3.248 10 0 EGAELP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315398 461187450 /nfs/dbraw/zinc/18/74/50/461187450.db2.gz FCBSABDBEUXPER-GOSISDBHSA-N 2 2 343.471 3.193 10 0 EGAELP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315398 461187457 /nfs/dbraw/zinc/18/74/57/461187457.db2.gz FCBSABDBEUXPER-GOSISDBHSA-N 2 2 343.471 3.193 10 0 EGAELP [NH3+]C1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC2(CCC2)C1 ZINC000659277823 461268580 /nfs/dbraw/zinc/26/85/80/461268580.db2.gz FUHIIQXQSRPEIJ-UHFFFAOYSA-N 2 2 338.455 3.363 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1F ZINC000649732253 461309932 /nfs/dbraw/zinc/30/99/32/461309932.db2.gz RKXYODLQTLQRGV-APWZRJJASA-N 2 2 330.447 3.278 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000649732253 461309935 /nfs/dbraw/zinc/30/99/35/461309935.db2.gz RKXYODLQTLQRGV-APWZRJJASA-N 2 2 330.447 3.278 10 0 EGAELP CCCOc1c(Cl)cc(C[N@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668538249 461317985 /nfs/dbraw/zinc/31/79/85/461317985.db2.gz XTQJUSKUCNWQBL-UHFFFAOYSA-N 2 2 326.868 3.131 10 0 EGAELP CCCOc1c(Cl)cc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668538249 461317994 /nfs/dbraw/zinc/31/79/94/461317994.db2.gz XTQJUSKUCNWQBL-UHFFFAOYSA-N 2 2 326.868 3.131 10 0 EGAELP CC[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000630862812 461374933 /nfs/dbraw/zinc/37/49/33/461374933.db2.gz MVIXIQKSQHKPRA-MRXNPFEDSA-N 2 2 337.552 3.124 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000655767880 461433911 /nfs/dbraw/zinc/43/39/11/461433911.db2.gz LXPXUDYVUAGLSB-UHFFFAOYSA-N 2 2 342.462 3.426 10 0 EGAELP Cc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1C(F)(F)F ZINC000668792110 461437399 /nfs/dbraw/zinc/43/73/99/461437399.db2.gz LIPDYGJSQZWSLG-UHFFFAOYSA-N 2 2 338.377 3.070 10 0 EGAELP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC000642207718 461470532 /nfs/dbraw/zinc/47/05/32/461470532.db2.gz CPIJTJATVXSBBX-WBMJQRKESA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC000642207718 461470540 /nfs/dbraw/zinc/47/05/40/461470540.db2.gz CPIJTJATVXSBBX-WBMJQRKESA-N 2 2 339.418 3.171 10 0 EGAELP COc1cncc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000631030125 461482492 /nfs/dbraw/zinc/48/24/92/461482492.db2.gz KEYIFBHXFODKKP-MRXNPFEDSA-N 2 2 331.485 3.387 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000631080753 461529357 /nfs/dbraw/zinc/52/93/57/461529357.db2.gz YAIMXPYTCDMFNE-ONGXEEELSA-N 2 2 332.673 3.070 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@H+]1C ZINC000631080753 461529361 /nfs/dbraw/zinc/52/93/61/461529361.db2.gz YAIMXPYTCDMFNE-ONGXEEELSA-N 2 2 332.673 3.070 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(-c2ccccn2)n1 ZINC000647166304 461535665 /nfs/dbraw/zinc/53/56/65/461535665.db2.gz IMMQUPAETJGHQY-UHFFFAOYSA-N 2 2 347.466 3.022 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)c1C ZINC000656037407 461570118 /nfs/dbraw/zinc/57/01/18/461570118.db2.gz DGEDKQNNLFKKCY-ZIAGYGMSSA-N 2 2 331.464 3.279 10 0 EGAELP Cc1c[nH+]c(C)nc1NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000656126142 461608008 /nfs/dbraw/zinc/60/80/08/461608008.db2.gz JTRWMUPLFWUNIT-INIZCTEOSA-N 2 2 340.471 3.405 10 0 EGAELP CCn1nccc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000663467746 461657680 /nfs/dbraw/zinc/65/76/80/461657680.db2.gz HSXSMFAMQCBSMJ-QGZVFWFLSA-N 2 2 326.488 3.088 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2cc1OC ZINC000663533953 461694238 /nfs/dbraw/zinc/69/42/38/461694238.db2.gz RPXYUHLHJYJKPE-AWEZNQCLSA-N 2 2 338.411 3.359 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501927 461746768 /nfs/dbraw/zinc/74/67/68/461746768.db2.gz SYWAMLQPTJFKBN-DZGCQCFKSA-N 2 2 339.277 3.395 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000656487305 461763806 /nfs/dbraw/zinc/76/38/06/461763806.db2.gz SKWSKRSASRRLBO-KRWDZBQOSA-N 2 2 339.487 3.244 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000656487305 461763814 /nfs/dbraw/zinc/76/38/14/461763814.db2.gz SKWSKRSASRRLBO-KRWDZBQOSA-N 2 2 339.487 3.244 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553465 461764197 /nfs/dbraw/zinc/76/41/97/461764197.db2.gz AJIQQGQECBRGEI-HNNXBMFYSA-N 2 2 339.277 3.222 10 0 EGAELP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000647553592 461764502 /nfs/dbraw/zinc/76/45/02/461764502.db2.gz DNBGJAQUXQQZDO-SFHVURJKSA-N 2 2 344.890 3.349 10 0 EGAELP COc1sc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647553825 461765222 /nfs/dbraw/zinc/76/52/22/461765222.db2.gz KIUGIFGQPCPZJP-LBPRGKRZSA-N 2 2 345.306 3.284 10 0 EGAELP c1[nH+]cn2cc(C[NH2+]Cc3nnn(-c4ccccc4)c3C3CC3)ccc12 ZINC000639257243 461828588 /nfs/dbraw/zinc/82/85/88/461828588.db2.gz RSCZYUHGTWRGJP-UHFFFAOYSA-N 2 2 344.422 3.082 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000647901771 461875810 /nfs/dbraw/zinc/87/58/10/461875810.db2.gz VGLNWUZZSHPLHR-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000647901771 461875817 /nfs/dbraw/zinc/87/58/17/461875817.db2.gz VGLNWUZZSHPLHR-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902034 461875941 /nfs/dbraw/zinc/87/59/41/461875941.db2.gz ZAFSQIQVKDRXMT-RLFYNMQTSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902034 461875949 /nfs/dbraw/zinc/87/59/49/461875949.db2.gz ZAFSQIQVKDRXMT-RLFYNMQTSA-N 2 2 349.906 3.439 10 0 EGAELP COc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1OC ZINC000656788634 461897093 /nfs/dbraw/zinc/89/70/93/461897093.db2.gz DDPLVRKGUYXXIL-RTBURBONSA-N 2 2 340.467 3.248 10 0 EGAELP Cc1[nH+]cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)n1-c1ccccc1 ZINC000656791570 461900770 /nfs/dbraw/zinc/90/07/70/461900770.db2.gz FULOZQDPZURJES-OAQYLSRUSA-N 2 2 348.450 3.454 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1F ZINC000656790676 461901139 /nfs/dbraw/zinc/90/11/39/461901139.db2.gz ILZWXDBXCCWIIQ-WMZOPIPTSA-N 2 2 332.394 3.209 10 0 EGAELP c1ccc(N2CCC([NH2+]CC[C@H]3CCc4ccccc4N3)CC2)[nH+]c1 ZINC000650721131 461912951 /nfs/dbraw/zinc/91/29/51/461912951.db2.gz RMFBDRXBVSGLLE-LJQANCHMSA-N 2 2 336.483 3.457 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000657380710 462085462 /nfs/dbraw/zinc/08/54/62/462085462.db2.gz LVNLAZDNJUGUMJ-GFCCVEGCSA-N 2 2 349.360 3.475 10 0 EGAELP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000657384031 462086801 /nfs/dbraw/zinc/08/68/01/462086801.db2.gz QSIJTYRGVJJZLT-GOSISDBHSA-N 3 2 349.482 3.268 10 0 EGAELP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[N@@H+](C)Cc1ccccc1 ZINC000657384031 462086807 /nfs/dbraw/zinc/08/68/07/462086807.db2.gz QSIJTYRGVJJZLT-GOSISDBHSA-N 3 2 349.482 3.268 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387072 462089752 /nfs/dbraw/zinc/08/97/52/462089752.db2.gz PNTHGBHGGLDPIT-OXJNMPFZSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387072 462089756 /nfs/dbraw/zinc/08/97/56/462089756.db2.gz PNTHGBHGGLDPIT-OXJNMPFZSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(NCc3c[nH+]c4n3CCC4)c2)C[C@@H](C)O1 ZINC000657410680 462105166 /nfs/dbraw/zinc/10/51/66/462105166.db2.gz IRHHVRZUDPCCOA-HZPDHXFCSA-N 2 2 340.471 3.051 10 0 EGAELP CCCCCn1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(C)n1 ZINC000657422441 462113810 /nfs/dbraw/zinc/11/38/10/462113810.db2.gz VHZQEFMQMNZTFE-UHFFFAOYSA-N 2 2 338.459 3.252 10 0 EGAELP C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657430052 462118169 /nfs/dbraw/zinc/11/81/69/462118169.db2.gz LLRJZUISXDNTRJ-AEFFLSMTSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657430052 462118178 /nfs/dbraw/zinc/11/81/78/462118178.db2.gz LLRJZUISXDNTRJ-AEFFLSMTSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H](CC[NH2+]Cc1c(F)cncc1Br)[NH+]1CCCCC1 ZINC000657432957 462119514 /nfs/dbraw/zinc/11/95/14/462119514.db2.gz MPQFCMDQRCUYOK-LBPRGKRZSA-N 2 2 344.272 3.337 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CCc3noc4ccccc34)CC2)nc1 ZINC000657534150 462170101 /nfs/dbraw/zinc/17/01/01/462170101.db2.gz SLTFAQJFQWFGRT-UHFFFAOYSA-N 2 2 336.439 3.020 10 0 EGAELP COc1ccnc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1F ZINC000657673000 462224052 /nfs/dbraw/zinc/22/40/52/462224052.db2.gz LZTWCDFMSGYRSI-UHFFFAOYSA-N 2 2 345.462 3.477 10 0 EGAELP COc1ccnc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1F ZINC000657673000 462224056 /nfs/dbraw/zinc/22/40/56/462224056.db2.gz LZTWCDFMSGYRSI-UHFFFAOYSA-N 2 2 345.462 3.477 10 0 EGAELP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000657708622 462238827 /nfs/dbraw/zinc/23/88/27/462238827.db2.gz MMVOZENAXUWNFV-QZTJIDSGSA-N 2 2 334.891 3.198 10 0 EGAELP Cc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]c1C ZINC000657773242 462262071 /nfs/dbraw/zinc/26/20/71/462262071.db2.gz QCQWORAITRUBLC-LJQANCHMSA-N 2 2 338.499 3.418 10 0 EGAELP Cc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]c1C ZINC000657773242 462262078 /nfs/dbraw/zinc/26/20/78/462262078.db2.gz QCQWORAITRUBLC-LJQANCHMSA-N 2 2 338.499 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]c1C ZINC000657773242 462262086 /nfs/dbraw/zinc/26/20/86/462262086.db2.gz QCQWORAITRUBLC-LJQANCHMSA-N 2 2 338.499 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]c1C ZINC000657773242 462262089 /nfs/dbraw/zinc/26/20/89/462262089.db2.gz QCQWORAITRUBLC-LJQANCHMSA-N 2 2 338.499 3.418 10 0 EGAELP CC1(C)C[N@@H+](C2(C[NH2+]C3CC(CF)(CF)C3)CCCCC2)CCO1 ZINC000657875629 462304006 /nfs/dbraw/zinc/30/40/06/462304006.db2.gz HLNXGDWGQIKLOQ-UHFFFAOYSA-N 2 2 344.490 3.478 10 0 EGAELP CC1(C)C[N@H+](C2(C[NH2+]C3CC(CF)(CF)C3)CCCCC2)CCO1 ZINC000657875629 462304010 /nfs/dbraw/zinc/30/40/10/462304010.db2.gz HLNXGDWGQIKLOQ-UHFFFAOYSA-N 2 2 344.490 3.478 10 0 EGAELP CC[NH+](CC)CC1CCN(C(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000667948659 462339962 /nfs/dbraw/zinc/33/99/62/462339962.db2.gz IKPKWBJTANKNFR-UHFFFAOYSA-N 2 2 343.475 3.228 10 0 EGAELP COc1cc2ccc([C@H](C)[NH2+]CCc3cn(C)c[nH+]3)cc2cc1OC ZINC000658036575 462353806 /nfs/dbraw/zinc/35/38/06/462353806.db2.gz XGQIMYLZZYFCIJ-AWEZNQCLSA-N 2 2 339.439 3.484 10 0 EGAELP c1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984709 462360220 /nfs/dbraw/zinc/36/02/20/462360220.db2.gz AAFRKAMERMNFOP-IBGZPJMESA-N 2 2 326.444 3.048 10 0 EGAELP c1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984709 462360227 /nfs/dbraw/zinc/36/02/27/462360227.db2.gz AAFRKAMERMNFOP-IBGZPJMESA-N 2 2 326.444 3.048 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccncc2)cc1 ZINC000665255005 462369901 /nfs/dbraw/zinc/36/99/01/462369901.db2.gz GGNWRTDGTCMYNM-XPGWFJOJSA-N 2 2 325.456 3.277 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccc(O)c2)cc1F ZINC000665259696 462374228 /nfs/dbraw/zinc/37/42/28/462374228.db2.gz NBNDIGMPDGKMFQ-IXDGSTSKSA-N 2 2 344.430 3.336 10 0 EGAELP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317507 462475653 /nfs/dbraw/zinc/47/56/53/462475653.db2.gz LVOQYSOQVABIII-OALUTQOASA-N 2 2 336.483 3.220 10 0 EGAELP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317507 462475660 /nfs/dbraw/zinc/47/56/60/462475660.db2.gz LVOQYSOQVABIII-OALUTQOASA-N 2 2 336.483 3.220 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000652222030 462478256 /nfs/dbraw/zinc/47/82/56/462478256.db2.gz CYZAYVPZJMJFSL-CYBMUJFWSA-N 2 2 328.298 3.473 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000652222030 462478259 /nfs/dbraw/zinc/47/82/59/462478259.db2.gz CYZAYVPZJMJFSL-CYBMUJFWSA-N 2 2 328.298 3.473 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780244 527834091 /nfs/dbraw/zinc/83/40/91/527834091.db2.gz JBBCIJYUOUROFI-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780244 527834094 /nfs/dbraw/zinc/83/40/94/527834094.db2.gz JBBCIJYUOUROFI-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780244 527834102 /nfs/dbraw/zinc/83/41/02/527834102.db2.gz JBBCIJYUOUROFI-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780244 527834106 /nfs/dbraw/zinc/83/41/06/527834106.db2.gz JBBCIJYUOUROFI-PBHICJAKSA-N 2 2 330.501 3.367 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178292518 528409646 /nfs/dbraw/zinc/40/96/46/528409646.db2.gz LKTSCDNUIWYVLJ-IBGZPJMESA-N 2 2 341.455 3.457 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178292518 528409651 /nfs/dbraw/zinc/40/96/51/528409651.db2.gz LKTSCDNUIWYVLJ-IBGZPJMESA-N 2 2 341.455 3.457 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672944 546539046 /nfs/dbraw/zinc/53/90/46/546539046.db2.gz WBPAWCVLDDYHKE-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672944 546539041 /nfs/dbraw/zinc/53/90/41/546539041.db2.gz WBPAWCVLDDYHKE-DGCLKSJQSA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000123232113 546738020 /nfs/dbraw/zinc/73/80/20/546738020.db2.gz AKHGYTOCQNNSEY-CVEARBPZSA-N 2 2 339.483 3.108 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000123232113 546738026 /nfs/dbraw/zinc/73/80/26/546738026.db2.gz AKHGYTOCQNNSEY-CVEARBPZSA-N 2 2 339.483 3.108 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1F ZINC000126932979 546764799 /nfs/dbraw/zinc/76/47/99/546764799.db2.gz ANFJKEPLTUYNEM-IBGZPJMESA-N 2 2 338.430 3.490 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983163 546876029 /nfs/dbraw/zinc/87/60/29/546876029.db2.gz AXIAVFOABPQOMS-WIYYLYMNSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983163 546876032 /nfs/dbraw/zinc/87/60/32/546876032.db2.gz AXIAVFOABPQOMS-WIYYLYMNSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351123 /nfs/dbraw/zinc/35/11/23/548351123.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 3 2 341.543 3.361 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351125 /nfs/dbraw/zinc/35/11/25/548351125.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351126 /nfs/dbraw/zinc/35/11/26/548351126.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351130 /nfs/dbraw/zinc/35/11/30/548351130.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 3 2 341.543 3.361 10 0 EGAELP CN(c1ccccc1C[NH2+][C@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000673618572 548583266 /nfs/dbraw/zinc/58/32/66/548583266.db2.gz RPXBPEJYCOZUFA-SFHVURJKSA-N 2 2 337.458 3.494 10 0 EGAELP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919328 549005292 /nfs/dbraw/zinc/00/52/92/549005292.db2.gz HNWCGMQMPKNHAC-OALUTQOASA-N 2 2 327.472 3.499 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678770320 549558232 /nfs/dbraw/zinc/55/82/32/549558232.db2.gz CSBGGNBTLYFRNN-KRWDZBQOSA-N 2 2 338.879 3.254 10 0 EGAELP COCc1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000678813850 549567494 /nfs/dbraw/zinc/56/74/94/549567494.db2.gz NDKKZCSYWKPBII-UHFFFAOYSA-N 2 2 337.533 3.378 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@@H+]1C1CC1 ZINC000679023408 549617757 /nfs/dbraw/zinc/61/77/57/549617757.db2.gz FMVXIRFSZWUYKA-MNEFBYGVSA-N 2 2 348.494 3.216 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@H+]1C1CC1 ZINC000679023408 549617759 /nfs/dbraw/zinc/61/77/59/549617759.db2.gz FMVXIRFSZWUYKA-MNEFBYGVSA-N 2 2 348.494 3.216 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679728181 549769549 /nfs/dbraw/zinc/76/95/49/549769549.db2.gz KLUSETLKBPNNMQ-GJZGRUSLSA-N 2 2 341.459 3.109 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679728181 549769553 /nfs/dbraw/zinc/76/95/53/549769553.db2.gz KLUSETLKBPNNMQ-GJZGRUSLSA-N 2 2 341.459 3.109 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328389 549849711 /nfs/dbraw/zinc/84/97/11/549849711.db2.gz JAPDYEMZUKDZAP-INIZCTEOSA-N 2 2 327.457 3.177 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328389 549849714 /nfs/dbraw/zinc/84/97/14/549849714.db2.gz JAPDYEMZUKDZAP-INIZCTEOSA-N 2 2 327.457 3.177 10 0 EGAELP Fc1cccn2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)nc12 ZINC000685428272 550415559 /nfs/dbraw/zinc/41/55/59/550415559.db2.gz XDXHFBDSIUXAKD-UHFFFAOYSA-N 2 2 335.386 3.008 10 0 EGAELP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000743262962 576804648 /nfs/dbraw/zinc/80/46/48/576804648.db2.gz ANYCXDWVGPYBBL-FQEVSTJZSA-N 2 2 339.414 3.451 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1Cl ZINC000069751998 1292250609 /nfs/dbraw/zinc/25/06/09/1292250609.db2.gz HMORURODWQNBQN-AWEZNQCLSA-N 2 2 326.916 3.467 10 0 EGAELP C[C@@H]1CC[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121588422 1293378829 /nfs/dbraw/zinc/37/88/29/1293378829.db2.gz BYMUIPHNZOEEQD-PXAZEXFGSA-N 2 2 331.370 3.052 10 0 EGAELP C[C@@H]1CC[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121588422 1293378834 /nfs/dbraw/zinc/37/88/34/1293378834.db2.gz BYMUIPHNZOEEQD-PXAZEXFGSA-N 2 2 331.370 3.052 10 0 EGAELP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CCCOC1 ZINC000872056237 1296704073 /nfs/dbraw/zinc/70/40/73/1296704073.db2.gz PHXVSFRSJYLWAC-LPHOPBHVSA-N 2 2 346.519 3.229 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C(F)(F)F ZINC000872150397 1296769163 /nfs/dbraw/zinc/76/91/63/1296769163.db2.gz DZTLJWKKADAAEQ-DGCLKSJQSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C(F)(F)F ZINC000872150397 1296769179 /nfs/dbraw/zinc/76/91/79/1296769179.db2.gz DZTLJWKKADAAEQ-DGCLKSJQSA-N 2 2 343.780 3.457 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000379760286 1297540643 /nfs/dbraw/zinc/54/06/43/1297540643.db2.gz BAUYXZQKIVJEDH-CTNGQTDRSA-N 2 2 329.532 3.361 10 0 EGAELP CC(C)C[N@H+](C1CN(C(=O)CCC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799714 1298011429 /nfs/dbraw/zinc/01/14/29/1298011429.db2.gz MSPIXKFZHGPNAP-UHFFFAOYSA-N 2 2 349.563 3.220 10 0 EGAELP CC(C)C[N@@H+](C1CN(C(=O)CCC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000581799714 1298011436 /nfs/dbraw/zinc/01/14/36/1298011436.db2.gz MSPIXKFZHGPNAP-UHFFFAOYSA-N 2 2 349.563 3.220 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396441 1299970337 /nfs/dbraw/zinc/97/03/37/1299970337.db2.gz IKNNVCWTSQFAGP-LPHOPBHVSA-N 2 2 341.455 3.109 10 0 EGAELP c1csc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319841 1301059920 /nfs/dbraw/zinc/05/99/20/1301059920.db2.gz LCYPSOZRNVWBFY-GASCZTMLSA-N 2 2 348.541 3.269 10 0 EGAELP c1csc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319841 1301059934 /nfs/dbraw/zinc/05/99/34/1301059934.db2.gz LCYPSOZRNVWBFY-GASCZTMLSA-N 2 2 348.541 3.269 10 0 EGAELP c1csc([C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319841 1301059949 /nfs/dbraw/zinc/05/99/49/1301059949.db2.gz LCYPSOZRNVWBFY-GASCZTMLSA-N 2 2 348.541 3.269 10 0 EGAELP c1csc([C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319841 1301059960 /nfs/dbraw/zinc/05/99/60/1301059960.db2.gz LCYPSOZRNVWBFY-GASCZTMLSA-N 2 2 348.541 3.269 10 0 EGAELP CC(=O)Nc1ccccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110134 1309194758 /nfs/dbraw/zinc/19/47/58/1309194758.db2.gz AJZOAICNQOXVAG-IYARVYRRSA-N 2 2 338.455 3.317 10 0 EGAELP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC000895111135 1309194994 /nfs/dbraw/zinc/19/49/94/1309194994.db2.gz NJDZUWVSOFACRB-QAQDUYKDSA-N 2 2 341.455 3.375 10 0 EGAELP COc1cc(C)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC000895110826 1309195444 /nfs/dbraw/zinc/19/54/44/1309195444.db2.gz YVNBHYFSCHSGSI-QAQDUYKDSA-N 2 2 340.471 3.379 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000895112888 1309196789 /nfs/dbraw/zinc/19/67/89/1309196789.db2.gz TZWZLYVDMOBJPV-ZQDZILKHSA-N 2 2 343.393 3.268 10 0 EGAELP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929797005 1328703768 /nfs/dbraw/zinc/70/37/68/1328703768.db2.gz FNKPTZHLROXLHX-IDHPPYADSA-N 2 2 349.469 3.312 10 0 EGAELP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929797005 1328703772 /nfs/dbraw/zinc/70/37/72/1328703772.db2.gz FNKPTZHLROXLHX-IDHPPYADSA-N 2 2 349.469 3.312 10 0 EGAELP Cc1c(Cl)ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1Cl ZINC000921586392 1322358738 /nfs/dbraw/zinc/35/87/38/1322358738.db2.gz LGOCOFNGHQPKGA-UHFFFAOYSA-N 2 2 331.287 3.238 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742231 1322607341 /nfs/dbraw/zinc/60/73/41/1322607341.db2.gz GFIZNYVXOXKBSN-VQTJNVASSA-N 2 2 346.515 3.215 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742231 1322607347 /nfs/dbraw/zinc/60/73/47/1322607347.db2.gz GFIZNYVXOXKBSN-VQTJNVASSA-N 2 2 346.515 3.215 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742232 1322607422 /nfs/dbraw/zinc/60/74/22/1322607422.db2.gz GFIZNYVXOXKBSN-WOJBJXKFSA-N 2 2 346.515 3.215 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742232 1322607427 /nfs/dbraw/zinc/60/74/27/1322607427.db2.gz GFIZNYVXOXKBSN-WOJBJXKFSA-N 2 2 346.515 3.215 10 0 EGAELP COC[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000922946490 1322656568 /nfs/dbraw/zinc/65/65/68/1322656568.db2.gz JPRVVLSNBWYIRU-QGZVFWFLSA-N 2 2 333.520 3.230 10 0 EGAELP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c2ccccc12 ZINC000922955759 1322660382 /nfs/dbraw/zinc/66/03/82/1322660382.db2.gz NEFIHGPYYXSDIN-QGZVFWFLSA-N 2 2 328.431 3.322 10 0 EGAELP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c2ccccc12 ZINC000922955759 1322660388 /nfs/dbraw/zinc/66/03/88/1322660388.db2.gz NEFIHGPYYXSDIN-QGZVFWFLSA-N 2 2 328.431 3.322 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000922956204 1322660989 /nfs/dbraw/zinc/66/09/89/1322660989.db2.gz QRDDIYHEHFZZBN-NYPGBQQYSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000922956204 1322660993 /nfs/dbraw/zinc/66/09/93/1322660993.db2.gz QRDDIYHEHFZZBN-NYPGBQQYSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc([C@H]3CCC[N@H+]3C(C)C)n2)c1C ZINC000924113072 1322904025 /nfs/dbraw/zinc/90/40/25/1322904025.db2.gz OLIDPPWFIVXOOM-MRXNPFEDSA-N 2 2 331.464 3.451 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc([C@H]3CCC[N@@H+]3C(C)C)n2)c1C ZINC000924113072 1322904028 /nfs/dbraw/zinc/90/40/28/1322904028.db2.gz OLIDPPWFIVXOOM-MRXNPFEDSA-N 2 2 331.464 3.451 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000924659304 1323098222 /nfs/dbraw/zinc/09/82/22/1323098222.db2.gz UCEQVOCQMHXEJX-OAHLLOKOSA-N 2 2 329.492 3.297 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000924659304 1323098229 /nfs/dbraw/zinc/09/82/29/1323098229.db2.gz UCEQVOCQMHXEJX-OAHLLOKOSA-N 2 2 329.492 3.297 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852141 1323187965 /nfs/dbraw/zinc/18/79/65/1323187965.db2.gz IAYVNEMJHHFORX-VQIMIIECSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852141 1323187968 /nfs/dbraw/zinc/18/79/68/1323187968.db2.gz IAYVNEMJHHFORX-VQIMIIECSA-N 2 2 325.456 3.493 10 0 EGAELP Cc1[nH]c(C2CC[NH+](Cc3cc(C(F)(F)F)nn3C)CC2)[nH+]c1C ZINC000931748877 1329176855 /nfs/dbraw/zinc/17/68/55/1329176855.db2.gz PJYHUHHHEWMBLY-UHFFFAOYSA-N 2 2 341.381 3.158 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612707 1325231813 /nfs/dbraw/zinc/23/18/13/1325231813.db2.gz TUXVEADWJCIXFK-FPAYPSAMSA-N 2 2 331.504 3.173 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(Cl)c1 ZINC000926314127 1325513078 /nfs/dbraw/zinc/51/30/78/1325513078.db2.gz GRBFRISGDHESOD-YESZJQIVSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(Cl)c1 ZINC000926314127 1325513081 /nfs/dbraw/zinc/51/30/81/1325513081.db2.gz GRBFRISGDHESOD-YESZJQIVSA-N 2 2 326.843 3.119 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926480647 1325569134 /nfs/dbraw/zinc/56/91/34/1325569134.db2.gz DAEVEZGADWWLAV-HUUCEWRRSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926480647 1325569140 /nfs/dbraw/zinc/56/91/40/1325569140.db2.gz DAEVEZGADWWLAV-HUUCEWRRSA-N 2 2 327.394 3.249 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1)C[NH+](C)C ZINC000926959947 1327797716 /nfs/dbraw/zinc/79/77/16/1327797716.db2.gz CVZOHWCLQBSJNU-ZFWWWQNUSA-N 2 2 326.506 3.034 10 0 EGAELP c1ccc(N2CCC([NH2+]CC[C@@H]3OCCc4ccccc43)CC2)[nH+]c1 ZINC000927119572 1327876700 /nfs/dbraw/zinc/87/67/00/1327876700.db2.gz LJKRHHDYIRRZAJ-FQEVSTJZSA-N 2 2 337.467 3.344 10 0 EGAELP Cc1ccnc(C[NH2+]CCCNc2cccc[nH+]2)c1Br ZINC000865485925 1329704256 /nfs/dbraw/zinc/70/42/56/1329704256.db2.gz GLGJGSWZIWUGMX-UHFFFAOYSA-N 2 2 335.249 3.139 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645079 1387416413 /nfs/dbraw/zinc/41/64/13/1387416413.db2.gz XLNGBKOEGRAIAJ-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323645079 1387416415 /nfs/dbraw/zinc/41/64/15/1387416415.db2.gz XLNGBKOEGRAIAJ-HECAZONMSA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)=CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721764 1387431216 /nfs/dbraw/zinc/43/12/16/1387431216.db2.gz JFYSQZPWDXVHAQ-UHFFFAOYSA-N 2 2 332.492 3.059 10 0 EGAELP CC(C)=CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721764 1387431221 /nfs/dbraw/zinc/43/12/21/1387431221.db2.gz JFYSQZPWDXVHAQ-UHFFFAOYSA-N 2 2 332.492 3.059 10 0 EGAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001324002788 1387506583 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Cc1cn(C(C)(C)C(=O)N[C@@H](C)C2C[NH+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001330022676 1389287567 /nfs/dbraw/zinc/28/75/67/1389287567.db2.gz SMAVFJUKPSVBCI-INIZCTEOSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001330842064 1389541817 /nfs/dbraw/zinc/54/18/17/1389541817.db2.gz LJBSEOQZZOTYCR-LLVKDONJSA-N 2 2 342.365 3.003 10 0 EGAELP C[C@@H](CCC[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330926567 1389566892 /nfs/dbraw/zinc/56/68/92/1389566892.db2.gz LPLMPVKORJAXEY-KBPBESRZSA-N 2 2 348.878 3.241 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330944150 1389572531 /nfs/dbraw/zinc/57/25/31/1389572531.db2.gz DBCFLLVWJVIESG-HNNXBMFYSA-N 2 2 334.508 3.043 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001332835135 1390196619 /nfs/dbraw/zinc/19/66/19/1390196619.db2.gz ZENWSENXTRMRSB-RTBURBONSA-N 2 2 325.456 3.491 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001332835135 1390196621 /nfs/dbraw/zinc/19/66/21/1390196621.db2.gz ZENWSENXTRMRSB-RTBURBONSA-N 2 2 325.456 3.491 10 0 EGAELP CC1CCC(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)CC1 ZINC001698796523 1406465574 /nfs/dbraw/zinc/46/55/74/1406465574.db2.gz BJQOUGPZTFMGKM-UHFFFAOYSA-N 2 2 346.519 3.187 10 0 EGAELP CC1CCC(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)CC1 ZINC001698796523 1406465577 /nfs/dbraw/zinc/46/55/77/1406465577.db2.gz BJQOUGPZTFMGKM-UHFFFAOYSA-N 2 2 346.519 3.187 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344689 1391993091 /nfs/dbraw/zinc/99/30/91/1391993091.db2.gz IBEILDLRKBCQRG-IAGOWNOFSA-N 2 2 346.519 3.219 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344689 1391993095 /nfs/dbraw/zinc/99/30/95/1391993095.db2.gz IBEILDLRKBCQRG-IAGOWNOFSA-N 2 2 346.519 3.219 10 0 EGAELP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778003 1392382563 /nfs/dbraw/zinc/38/25/63/1392382563.db2.gz JMPRJFAZVFQUDB-UITAMQMPSA-N 2 2 348.450 3.328 10 0 EGAELP C[N@H+](C/C=C\c1ccccc1)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778003 1392382570 /nfs/dbraw/zinc/38/25/70/1392382570.db2.gz JMPRJFAZVFQUDB-UITAMQMPSA-N 2 2 348.450 3.328 10 0 EGAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCCC1 ZINC001479845694 1392427728 /nfs/dbraw/zinc/42/77/28/1392427728.db2.gz WDTNSAPOMGEMPV-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCCC1 ZINC001479845694 1392427729 /nfs/dbraw/zinc/42/77/29/1392427729.db2.gz WDTNSAPOMGEMPV-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001479845694 1392427730 /nfs/dbraw/zinc/42/77/30/1392427730.db2.gz WDTNSAPOMGEMPV-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001479845694 1392427731 /nfs/dbraw/zinc/42/77/31/1392427731.db2.gz WDTNSAPOMGEMPV-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001480362409 1392706594 /nfs/dbraw/zinc/70/65/94/1392706594.db2.gz HYJJIGYNQDOEGO-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)C[C@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001480404991 1392742653 /nfs/dbraw/zinc/74/26/53/1392742653.db2.gz KSNYLRBCGQLADT-CTWPCTMYSA-N 2 2 346.519 3.287 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001480481823 1392765288 /nfs/dbraw/zinc/76/52/88/1392765288.db2.gz XLNFMDJAHHPENL-WMZOPIPTSA-N 2 2 346.519 3.145 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[C@H]([NH2+]CCC(C)C)C3)ccn12 ZINC001480692755 1392857496 /nfs/dbraw/zinc/85/74/96/1392857496.db2.gz HPJWXWQJENIOPF-ROUUACIJSA-N 2 2 342.487 3.319 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001480694953 1392858607 /nfs/dbraw/zinc/85/86/07/1392858607.db2.gz KDQNEDNOGQACQV-MSOLQXFVSA-N 2 2 348.535 3.380 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112861 1393123252 /nfs/dbraw/zinc/12/32/52/1393123252.db2.gz NNEWJBCCNZQLKZ-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112861 1393123253 /nfs/dbraw/zinc/12/32/53/1393123253.db2.gz NNEWJBCCNZQLKZ-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001481260380 1393154651 /nfs/dbraw/zinc/15/46/51/1393154651.db2.gz VILOJNRJLDXJCD-UHFFFAOYSA-N 2 2 339.483 3.486 10 0 EGAELP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001481303863 1393160610 /nfs/dbraw/zinc/16/06/10/1393160610.db2.gz DDDWMRBNENYXJR-UHFFFAOYSA-N 2 2 342.487 3.059 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001481339734 1393167330 /nfs/dbraw/zinc/16/73/30/1393167330.db2.gz KWDHFFMSWOSNES-IRXDYDNUSA-N 2 2 348.535 3.487 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798815 1394348848 /nfs/dbraw/zinc/34/88/48/1394348848.db2.gz LJWYMNSISFVAND-AXTJNSDUSA-N 2 2 344.503 3.256 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798815 1394348854 /nfs/dbraw/zinc/34/88/54/1394348854.db2.gz LJWYMNSISFVAND-AXTJNSDUSA-N 2 2 344.503 3.256 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482473436 1395027783 /nfs/dbraw/zinc/02/77/83/1395027783.db2.gz RSGVKPLGTBYDGX-DLBZAZTESA-N 2 2 340.471 3.131 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482473440 1395027980 /nfs/dbraw/zinc/02/79/80/1395027980.db2.gz RSGVKPLGTBYDGX-IRXDYDNUSA-N 2 2 340.471 3.131 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483936039 1395151931 /nfs/dbraw/zinc/15/19/31/1395151931.db2.gz ZIDPACXGDTXTJV-HNNXBMFYSA-N 2 2 328.460 3.193 10 0 EGAELP CC1CCC(C[N@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001698990174 1406778996 /nfs/dbraw/zinc/77/89/96/1406778996.db2.gz WTFIHCDTPDUDHM-UHFFFAOYSA-N 2 2 342.487 3.164 10 0 EGAELP CC1CCC(C[N@@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001698990174 1406778999 /nfs/dbraw/zinc/77/89/99/1406778999.db2.gz WTFIHCDTPDUDHM-UHFFFAOYSA-N 2 2 342.487 3.164 10 0 EGAELP CC(C)(C)CCC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001485457230 1395928141 /nfs/dbraw/zinc/92/81/41/1395928141.db2.gz KFBHBANFYWJYLT-UHFFFAOYSA-N 2 2 334.508 3.187 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570112 1396035041 /nfs/dbraw/zinc/03/50/41/1396035041.db2.gz RNBLUWXPWAVVKV-DUMMIQTOSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570112 1396035049 /nfs/dbraw/zinc/03/50/49/1396035049.db2.gz RNBLUWXPWAVVKV-DUMMIQTOSA-N 2 2 340.471 3.359 10 0 EGAELP CC[C@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485723197 1396117602 /nfs/dbraw/zinc/11/76/02/1396117602.db2.gz YVODVLHXJHKUPS-LSDHHAIUSA-N 2 2 330.476 3.177 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001491875451 1396298976 /nfs/dbraw/zinc/29/89/76/1396298976.db2.gz AKRBKHQHCQATDA-ROUUACIJSA-N 2 2 347.503 3.086 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496276300 1396627833 /nfs/dbraw/zinc/62/78/33/1396627833.db2.gz QGWNRFONCKEPRG-GOEBONIOSA-N 2 2 330.476 3.343 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC(C)C)c[nH+]1 ZINC001699019421 1406853282 /nfs/dbraw/zinc/85/32/82/1406853282.db2.gz FVYOBQTZCKRLHQ-MSOLQXFVSA-N 2 2 348.535 3.237 10 0 EGAELP COC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001689265157 1396997155 /nfs/dbraw/zinc/99/71/55/1396997155.db2.gz PCMNCUWDCGUJDR-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690316843 1404473972 /nfs/dbraw/zinc/47/39/72/1404473972.db2.gz DEWQXXCCZSHTSC-VOSNQSNISA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690316843 1404473976 /nfs/dbraw/zinc/47/39/76/1404473976.db2.gz DEWQXXCCZSHTSC-VOSNQSNISA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690316843 1404473980 /nfs/dbraw/zinc/47/39/80/1404473980.db2.gz DEWQXXCCZSHTSC-VOSNQSNISA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690316843 1404473983 /nfs/dbraw/zinc/47/39/83/1404473983.db2.gz DEWQXXCCZSHTSC-VOSNQSNISA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690414228 1404546449 /nfs/dbraw/zinc/54/64/49/1404546449.db2.gz URNOBHZHDZKMPB-INIZCTEOSA-N 2 2 342.487 3.441 10 0 EGAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1=CCCCC1 ZINC001690606131 1404649131 /nfs/dbraw/zinc/64/91/31/1404649131.db2.gz GZPZHCGIWZZGNU-INIZCTEOSA-N 2 2 338.455 3.081 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)c(C)[nH+]1 ZINC001690902781 1404812245 /nfs/dbraw/zinc/81/22/45/1404812245.db2.gz BQSQOMYJOLMXCQ-SFHVURJKSA-N 2 2 329.488 3.391 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CC2)c(C)[nH+]1 ZINC001690902781 1404812250 /nfs/dbraw/zinc/81/22/50/1404812250.db2.gz BQSQOMYJOLMXCQ-SFHVURJKSA-N 2 2 329.488 3.391 10 0 EGAELP CCC/C=C\CC[N@H+](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001690941391 1404846434 /nfs/dbraw/zinc/84/64/34/1404846434.db2.gz BFWTXCAWSVXPPU-SREVYHEPSA-N 2 2 328.460 3.051 10 0 EGAELP CCC/C=C\CC[N@@H+](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001690941391 1404846440 /nfs/dbraw/zinc/84/64/40/1404846440.db2.gz BFWTXCAWSVXPPU-SREVYHEPSA-N 2 2 328.460 3.051 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001725412899 1426057613 /nfs/dbraw/zinc/05/76/13/1426057613.db2.gz LNEAXWNFLIQJJI-JKSUJKDBSA-N 2 2 342.487 3.205 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691733640 1405456219 /nfs/dbraw/zinc/45/62/19/1405456219.db2.gz RXXCOGHYSHJIBN-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001691830623 1405544520 /nfs/dbraw/zinc/54/45/20/1405544520.db2.gz NATAWXMTISWEGF-MSOLQXFVSA-N 2 2 348.535 3.316 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691988295 1405699907 /nfs/dbraw/zinc/69/99/07/1405699907.db2.gz IEEMFORLYPGWKM-ICUWKNINSA-N 2 2 346.519 3.252 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691988295 1405699913 /nfs/dbraw/zinc/69/99/13/1405699913.db2.gz IEEMFORLYPGWKM-ICUWKNINSA-N 2 2 346.519 3.252 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691988696 1405701096 /nfs/dbraw/zinc/70/10/96/1405701096.db2.gz QZPGWMVUXSRSOL-ZWKOTPCHSA-N 2 2 348.535 3.476 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691988696 1405701098 /nfs/dbraw/zinc/70/10/98/1405701098.db2.gz QZPGWMVUXSRSOL-ZWKOTPCHSA-N 2 2 348.535 3.476 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@@H]3CCC[N@H+]3CC(C)C)ccn12 ZINC001731748736 1427841953 /nfs/dbraw/zinc/84/19/53/1427841953.db2.gz WNKCAQGQEOGUHR-GOSISDBHSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@@H]3CCC[N@@H+]3CC(C)C)ccn12 ZINC001731748736 1427841957 /nfs/dbraw/zinc/84/19/57/1427841957.db2.gz WNKCAQGQEOGUHR-GOSISDBHSA-N 2 2 342.487 3.273 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001692323043 1405942161 /nfs/dbraw/zinc/94/21/61/1405942161.db2.gz YVAGUFXHUXOUEB-QZDDGCDVSA-N 2 2 346.862 3.290 10 0 EGAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCCC(C)C ZINC001698596856 1406221959 /nfs/dbraw/zinc/22/19/59/1406221959.db2.gz NTPRYMCATCYLBI-KRWDZBQOSA-N 2 2 330.476 3.177 10 0 EGAELP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001732144593 1428389165 /nfs/dbraw/zinc/38/91/65/1428389165.db2.gz JFBJYDXONBBGPC-GBESFXJTSA-N 2 2 346.519 3.336 10 0 EGAELP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001732144593 1428389167 /nfs/dbraw/zinc/38/91/67/1428389167.db2.gz JFBJYDXONBBGPC-GBESFXJTSA-N 2 2 346.519 3.336 10 0 EGAELP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001699186965 1412560153 /nfs/dbraw/zinc/56/01/53/1412560153.db2.gz WDUFTANSFKPWRN-KZNAEPCWSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001699186965 1412560156 /nfs/dbraw/zinc/56/01/56/1412560156.db2.gz WDUFTANSFKPWRN-KZNAEPCWSA-N 2 2 340.471 3.103 10 0 EGAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001699288196 1412616485 /nfs/dbraw/zinc/61/64/85/1412616485.db2.gz KMSDJAIEEIYBGY-SNAWJCMRSA-N 2 2 343.496 3.187 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC3CCC(C)CC3)ccn12 ZINC001699363963 1412669595 /nfs/dbraw/zinc/66/95/95/1412669595.db2.gz XYDZXHHNCHPBJM-ISXOHVOVSA-N 2 2 342.487 3.177 10 0 EGAELP Cc1cccc(Cl)c1C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699397493 1412711666 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PCLQMJOBPCOHCL-HNNXBMFYSA-N 2 2 348.535 3.237 10 0 EGAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCCC1CCC1 ZINC001713328738 1417953368 /nfs/dbraw/zinc/95/33/68/1417953368.db2.gz ZHBFFXPGSRCTQP-MRXNPFEDSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001713683354 1418435631 /nfs/dbraw/zinc/43/56/31/1418435631.db2.gz VKWZPHJGQYUESU-INIZCTEOSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001713683355 1418435938 /nfs/dbraw/zinc/43/59/38/1418435938.db2.gz VKWZPHJGQYUESU-MRXNPFEDSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC(C[N@@H+](C)CCC(C)C)CC2)c[nH+]1 ZINC001713765014 1418577166 /nfs/dbraw/zinc/57/71/66/1418577166.db2.gz YOQKSDIFMCKVNZ-UHFFFAOYSA-N 2 2 348.535 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC(C[N@H+](C)CCC(C)C)CC2)c[nH+]1 ZINC001713765014 1418577167 /nfs/dbraw/zinc/57/71/67/1418577167.db2.gz YOQKSDIFMCKVNZ-UHFFFAOYSA-N 2 2 348.535 3.143 10 0 EGAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001733170378 1429272665 /nfs/dbraw/zinc/27/26/65/1429272665.db2.gz GWNOMDCUGLWABS-WRFKIARRSA-N 2 2 340.471 3.097 10 0 EGAELP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713847333 1418642942 /nfs/dbraw/zinc/64/29/42/1418642942.db2.gz KSJIBXUDUDYSNI-KRWDZBQOSA-N 2 2 340.471 3.109 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC=C(C)C)CC1 ZINC001713858121 1418654745 /nfs/dbraw/zinc/65/47/45/1418654745.db2.gz HJGGPFSQWLLPPZ-UHFFFAOYSA-N 2 2 346.519 3.333 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714142949 1418945472 /nfs/dbraw/zinc/94/54/72/1418945472.db2.gz SZTJMFQNNHEEBT-KRWDZBQOSA-N 2 2 334.508 3.070 10 0 EGAELP COCCCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001714191596 1418998130 /nfs/dbraw/zinc/99/81/30/1418998130.db2.gz SQODDFRWGZWNGY-UHFFFAOYSA-N 2 2 347.503 3.064 10 0 EGAELP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714271379 1419052325 /nfs/dbraw/zinc/05/23/25/1419052325.db2.gz NBKQXYHLDOVDOJ-INIZCTEOSA-N 2 2 346.450 3.143 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714327159 1419105765 /nfs/dbraw/zinc/10/57/65/1419105765.db2.gz MDQHCKBBNJSTKR-INIZCTEOSA-N 2 2 348.535 3.191 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714400783 1419144191 /nfs/dbraw/zinc/14/41/91/1419144191.db2.gz DVAHTOYGMBMBSH-HZPDHXFCSA-N 2 2 334.508 3.186 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714400783 1419144196 /nfs/dbraw/zinc/14/41/96/1419144196.db2.gz DVAHTOYGMBMBSH-HZPDHXFCSA-N 2 2 334.508 3.186 10 0 EGAELP Cc1cccc(Cl)c1C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714762727 1419498300 /nfs/dbraw/zinc/49/83/00/1419498300.db2.gz JZTXLTKBDQXWSU-HNNXBMFYSA-N 2 2 348.878 3.044 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC001714832290 1419543005 /nfs/dbraw/zinc/54/30/05/1419543005.db2.gz STCVPQZEEPTKCY-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC001714832290 1419543007 /nfs/dbraw/zinc/54/30/07/1419543007.db2.gz STCVPQZEEPTKCY-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC1C[NH+](CCC2CCCCC2)C1)c1ccccc1 ZINC001714954344 1419695257 /nfs/dbraw/zinc/69/52/57/1419695257.db2.gz PBUJOBZMIWCYES-HXUWFJFHSA-N 2 2 343.515 3.060 10 0 EGAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)cccc1C ZINC001715076380 1419811480 /nfs/dbraw/zinc/81/14/80/1419811480.db2.gz NWGYWYLFMCBYDV-ROUUACIJSA-N 2 2 342.487 3.136 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]CCC2CCCCCC2)c[nH+]1 ZINC001715936502 1420407438 /nfs/dbraw/zinc/40/74/38/1420407438.db2.gz WQUHQRRICRAXFF-MRXNPFEDSA-N 2 2 348.535 3.381 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733267672 1429428609 /nfs/dbraw/zinc/42/86/09/1429428609.db2.gz FPARNMPGTZRNEG-ZFRRBFPSSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733267672 1429428611 /nfs/dbraw/zinc/42/86/11/1429428611.db2.gz FPARNMPGTZRNEG-ZFRRBFPSSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001733272963 1429435572 /nfs/dbraw/zinc/43/55/72/1429435572.db2.gz YQQDOTIBBZWFBC-XMAVSDRGSA-N 2 2 344.503 3.200 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001716741897 1420897512 /nfs/dbraw/zinc/89/75/12/1420897512.db2.gz PJRRURZLQJFOHM-MRXNPFEDSA-N 2 2 348.535 3.366 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001716830254 1420956655 /nfs/dbraw/zinc/95/66/55/1420956655.db2.gz MJSUMRKPOILURU-WUUFJKRQSA-N 2 2 344.503 3.013 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001716830254 1420956657 /nfs/dbraw/zinc/95/66/57/1420956657.db2.gz MJSUMRKPOILURU-WUUFJKRQSA-N 2 2 344.503 3.013 10 0 EGAELP C[C@H](CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001717302177 1421244178 /nfs/dbraw/zinc/24/41/78/1421244178.db2.gz TZXHGVWAJWBMGL-MRXNPFEDSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001717417555 1421348231 /nfs/dbraw/zinc/34/82/31/1421348231.db2.gz YMLIFIWFJWKFDE-KBPBESRZSA-N 2 2 330.476 3.486 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCCn1cc[nH+]c1 ZINC001717829961 1421642666 /nfs/dbraw/zinc/64/26/66/1421642666.db2.gz MOKZMHQPOMSBPX-DLBZAZTESA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717835451 1421648912 /nfs/dbraw/zinc/64/89/12/1421648912.db2.gz AYHLSGPMBWSOPJ-HQRMLTQVSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717835451 1421648914 /nfs/dbraw/zinc/64/89/14/1421648914.db2.gz AYHLSGPMBWSOPJ-HQRMLTQVSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717835451 1421648916 /nfs/dbraw/zinc/64/89/16/1421648916.db2.gz AYHLSGPMBWSOPJ-HQRMLTQVSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717835451 1421648917 /nfs/dbraw/zinc/64/89/17/1421648917.db2.gz AYHLSGPMBWSOPJ-HQRMLTQVSA-N 2 2 346.519 3.138 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001717847270 1421661233 /nfs/dbraw/zinc/66/12/33/1421661233.db2.gz JUVJFBVXKXJOJQ-YTQUADARSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001717847270 1421661235 /nfs/dbraw/zinc/66/12/35/1421661235.db2.gz JUVJFBVXKXJOJQ-YTQUADARSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001717980556 1421752243 /nfs/dbraw/zinc/75/22/43/1421752243.db2.gz BONGHYQXBAHZJH-MRXNPFEDSA-N 2 2 344.503 3.059 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717984995 1421757574 /nfs/dbraw/zinc/75/75/74/1421757574.db2.gz UEOVYYQVLYSXEG-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717984995 1421757576 /nfs/dbraw/zinc/75/75/76/1421757576.db2.gz UEOVYYQVLYSXEG-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001733324733 1429509763 /nfs/dbraw/zinc/50/97/63/1429509763.db2.gz FBQCRFZNCNSIAN-CVEARBPZSA-N 2 2 328.460 3.107 10 0 EGAELP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CCCC1)c1cccc2[nH+]ccn21 ZINC001724089755 1424655890 /nfs/dbraw/zinc/65/58/90/1424655890.db2.gz SAKKRGBDPSCBBI-KRWDZBQOSA-N 2 2 340.471 3.013 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161506 1424697890 /nfs/dbraw/zinc/69/78/90/1424697890.db2.gz JMNXQRSARFXZLV-QUCCMNQESA-N 2 2 348.535 3.487 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161506 1424697895 /nfs/dbraw/zinc/69/78/95/1424697895.db2.gz JMNXQRSARFXZLV-QUCCMNQESA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H](CC[NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001724714087 1425069276 /nfs/dbraw/zinc/06/92/76/1425069276.db2.gz WOCOATDFOAVJBK-SFHVURJKSA-N 2 2 348.535 3.191 10 0 EGAELP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001724886031 1425269023 /nfs/dbraw/zinc/26/90/23/1425269023.db2.gz UEMWGADGTZFBQP-SFHVURJKSA-N 2 2 348.535 3.487 10 0 EGAELP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001724886029 1425269402 /nfs/dbraw/zinc/26/94/02/1425269402.db2.gz UEMWGADGTZFBQP-GOSISDBHSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCC1)n1cc[nH+]c1 ZINC001725043710 1425471963 /nfs/dbraw/zinc/47/19/63/1425471963.db2.gz AULZCDLGNNMVRW-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCC1)n1cc[nH+]c1 ZINC001725043710 1425471967 /nfs/dbraw/zinc/47/19/67/1425471967.db2.gz AULZCDLGNNMVRW-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001725173621 1425685811 /nfs/dbraw/zinc/68/58/11/1425685811.db2.gz IOAULPQIIGVWDR-IIIMJFFVSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001725173621 1425685815 /nfs/dbraw/zinc/68/58/15/1425685815.db2.gz IOAULPQIIGVWDR-IIIMJFFVSA-N 2 2 348.535 3.189 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199337 1425755380 /nfs/dbraw/zinc/75/53/80/1425755380.db2.gz BERBXPGJLVXVPV-WMLDXEAASA-N 2 2 348.878 3.124 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199337 1425755381 /nfs/dbraw/zinc/75/53/81/1425755381.db2.gz BERBXPGJLVXVPV-WMLDXEAASA-N 2 2 348.878 3.124 10 0 EGAELP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292447 1425937864 /nfs/dbraw/zinc/93/78/64/1425937864.db2.gz WFOOBCWKKBSBQZ-ZWKOTPCHSA-N 2 2 346.519 3.263 10 0 EGAELP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292447 1425937868 /nfs/dbraw/zinc/93/78/68/1425937868.db2.gz WFOOBCWKKBSBQZ-ZWKOTPCHSA-N 2 2 346.519 3.263 10 0 EGAELP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001725514337 1426204009 /nfs/dbraw/zinc/20/40/09/1426204009.db2.gz ITNNVLPJAXIWJQ-WBVHZDCISA-N 2 2 342.487 3.275 10 0 EGAELP Cc1cccn2cc(CC(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)C)[nH+]c12 ZINC001725515451 1426205326 /nfs/dbraw/zinc/20/53/26/1426205326.db2.gz HCTSMHQNJZJANM-QGZVFWFLSA-N 2 2 344.503 3.058 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@H+](CCCC1CCC1)CC2 ZINC001725611450 1426270592 /nfs/dbraw/zinc/27/05/92/1426270592.db2.gz XOCJFNGETKCOKG-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001725611450 1426270597 /nfs/dbraw/zinc/27/05/97/1426270597.db2.gz XOCJFNGETKCOKG-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@@H]1[N@H+](CCCC1CCC1)CC2 ZINC001725611450 1426270601 /nfs/dbraw/zinc/27/06/01/1426270601.db2.gz XOCJFNGETKCOKG-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001725611450 1426270604 /nfs/dbraw/zinc/27/06/04/1426270604.db2.gz XOCJFNGETKCOKG-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001725611999 1426272064 /nfs/dbraw/zinc/27/20/64/1426272064.db2.gz ZYNHJVXIRRHGKR-MJGOQNOKSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001725611999 1426272066 /nfs/dbraw/zinc/27/20/66/1426272066.db2.gz ZYNHJVXIRRHGKR-MJGOQNOKSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001725611999 1426272073 /nfs/dbraw/zinc/27/20/73/1426272073.db2.gz ZYNHJVXIRRHGKR-MJGOQNOKSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001725611999 1426272075 /nfs/dbraw/zinc/27/20/75/1426272075.db2.gz ZYNHJVXIRRHGKR-MJGOQNOKSA-N 2 2 332.492 3.036 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001725666334 1426349280 /nfs/dbraw/zinc/34/92/80/1426349280.db2.gz POFLLXLTWNIESD-IJDCCNJMSA-N 2 2 346.519 3.110 10 0 EGAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1cc(C)ccc1C ZINC001731324546 1427264802 /nfs/dbraw/zinc/26/48/02/1427264802.db2.gz CBZPAQUIEXHFSC-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1cc(C)ccc1C ZINC001731324546 1427264806 /nfs/dbraw/zinc/26/48/06/1427264806.db2.gz CBZPAQUIEXHFSC-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001731523275 1427511673 /nfs/dbraw/zinc/51/16/73/1427511673.db2.gz MFXFELVQQLLRFG-ZWKOTPCHSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731597907 1427640691 /nfs/dbraw/zinc/64/06/91/1427640691.db2.gz FFEDIRVUFNTWAM-DOTOQJQBSA-N 2 2 334.508 3.001 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001733991601 1437786626 /nfs/dbraw/zinc/78/66/26/1437786626.db2.gz FMSQCYRFSDADRN-HZPDHXFCSA-N 2 2 344.503 3.104 10 0 EGAELP CC1CCC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001734107687 1437894320 /nfs/dbraw/zinc/89/43/20/1437894320.db2.gz YNBAJMDKUHPTBA-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001734107687 1437894322 /nfs/dbraw/zinc/89/43/22/1437894322.db2.gz YNBAJMDKUHPTBA-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151206 1437919048 /nfs/dbraw/zinc/91/90/48/1437919048.db2.gz ZDTLMXFKPYDJHW-NGHLMZTLSA-N 2 2 332.492 3.017 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151206 1437919049 /nfs/dbraw/zinc/91/90/49/1437919049.db2.gz ZDTLMXFKPYDJHW-NGHLMZTLSA-N 2 2 332.492 3.017 10 0 EGAELP C[C@H](CC(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001734306902 1438039366 /nfs/dbraw/zinc/03/93/66/1438039366.db2.gz NYLQWNXCPGALHH-VQIMIIECSA-N 2 2 344.503 3.161 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001734496782 1438132779 /nfs/dbraw/zinc/13/27/79/1438132779.db2.gz SQTVYOXUNBZWKH-QWNKOJSDSA-N 2 2 340.471 3.359 10 0 EGAELP CCCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001734613717 1438187503 /nfs/dbraw/zinc/18/75/03/1438187503.db2.gz UHHSEWDPGNTUDJ-MRXNPFEDSA-N 2 2 347.503 3.040 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001734613642 1438187582 /nfs/dbraw/zinc/18/75/82/1438187582.db2.gz QWNIVPJKNHJACJ-IEBWSBKVSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944596 1440117895 /nfs/dbraw/zinc/11/78/95/1440117895.db2.gz MOBUAZOAKLVSGB-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944596 1440117896 /nfs/dbraw/zinc/11/78/96/1440117896.db2.gz MOBUAZOAKLVSGB-SJORKVTESA-N 2 2 348.535 3.241 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000368100851 168310484 /nfs/dbraw/zinc/31/04/84/168310484.db2.gz INYJAUYWGOLNHU-BXUZGUMPSA-N 2 2 337.345 3.443 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000368100851 168310486 /nfs/dbraw/zinc/31/04/86/168310486.db2.gz INYJAUYWGOLNHU-BXUZGUMPSA-N 2 2 337.345 3.443 10 0 EGAELP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000368103173 168311724 /nfs/dbraw/zinc/31/17/24/168311724.db2.gz SUYRBIBLNKEOLK-PXAZEXFGSA-N 2 2 341.846 3.033 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530120 168368778 /nfs/dbraw/zinc/36/87/78/168368778.db2.gz ISIQGYPORBNCQG-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530120 168368781 /nfs/dbraw/zinc/36/87/81/168368781.db2.gz ISIQGYPORBNCQG-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530120 168368786 /nfs/dbraw/zinc/36/87/86/168368786.db2.gz ISIQGYPORBNCQG-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)cc[nH+]1 ZINC000183773725 282187117 /nfs/dbraw/zinc/18/71/17/282187117.db2.gz NAOUBFWULPJSLA-QGZVFWFLSA-N 2 2 328.847 3.248 10 0 EGAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1Cl ZINC000193903959 240352828 /nfs/dbraw/zinc/35/28/28/240352828.db2.gz JCCSMANBBXCFPZ-UHFFFAOYSA-N 2 2 346.906 3.441 10 0 EGAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1Cl ZINC000193903959 240352832 /nfs/dbraw/zinc/35/28/32/240352832.db2.gz JCCSMANBBXCFPZ-UHFFFAOYSA-N 2 2 346.906 3.441 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000129382957 223050408 /nfs/dbraw/zinc/05/04/08/223050408.db2.gz AVDFOHGDPBDEIO-IFXJQAMLSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000129382957 223050411 /nfs/dbraw/zinc/05/04/11/223050411.db2.gz AVDFOHGDPBDEIO-IFXJQAMLSA-N 2 2 340.471 3.402 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)C2 ZINC000377722616 169068589 /nfs/dbraw/zinc/06/85/89/169068589.db2.gz MGPYWYFXFZYHSA-MRXNPFEDSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000377722616 169068591 /nfs/dbraw/zinc/06/85/91/169068591.db2.gz MGPYWYFXFZYHSA-MRXNPFEDSA-N 2 2 334.423 3.031 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1c(C)nn(C)c1C ZINC000095420483 218360548 /nfs/dbraw/zinc/36/05/48/218360548.db2.gz NWDASMPYPVIIDC-IBGZPJMESA-N 2 2 341.503 3.137 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328625116 258033391 /nfs/dbraw/zinc/03/33/91/258033391.db2.gz CTHBVLLJMLZXED-LRQRDZAKSA-N 2 2 339.483 3.304 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328625116 258033393 /nfs/dbraw/zinc/03/33/93/258033393.db2.gz CTHBVLLJMLZXED-LRQRDZAKSA-N 2 2 339.483 3.304 10 0 EGAELP Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000246652444 141023302 /nfs/dbraw/zinc/02/33/02/141023302.db2.gz QZDDELOYMQYNIT-GDBMZVCRSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000246652444 141023304 /nfs/dbraw/zinc/02/33/04/141023304.db2.gz QZDDELOYMQYNIT-GDBMZVCRSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000246964204 141045723 /nfs/dbraw/zinc/04/57/23/141045723.db2.gz ITTDLLZKQHHOHK-HIFRSBDPSA-N 2 2 346.862 3.337 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000246964204 141045725 /nfs/dbraw/zinc/04/57/25/141045725.db2.gz ITTDLLZKQHHOHK-HIFRSBDPSA-N 2 2 346.862 3.337 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989896 141059604 /nfs/dbraw/zinc/05/96/04/141059604.db2.gz JNIFQOIMOHSMTH-MOXGXCLJSA-N 2 2 337.467 3.275 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989896 141059606 /nfs/dbraw/zinc/05/96/06/141059606.db2.gz JNIFQOIMOHSMTH-MOXGXCLJSA-N 2 2 337.467 3.275 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc([S@@](C)=O)cc1 ZINC000346194396 141177474 /nfs/dbraw/zinc/17/74/74/141177474.db2.gz GFRKSOBSAARMFX-HSZRJFAPSA-N 2 2 345.493 3.303 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc([S@@](C)=O)cc1 ZINC000346194396 141177475 /nfs/dbraw/zinc/17/74/75/141177475.db2.gz GFRKSOBSAARMFX-HSZRJFAPSA-N 2 2 345.493 3.303 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc2c(c1)OCO2 ZINC000346200424 141179172 /nfs/dbraw/zinc/17/91/72/141179172.db2.gz GYUONUWUVQEUBR-UHFFFAOYSA-N 2 2 327.409 3.295 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc2c(c1)OCO2 ZINC000346200424 141179175 /nfs/dbraw/zinc/17/91/75/141179175.db2.gz GYUONUWUVQEUBR-UHFFFAOYSA-N 2 2 327.409 3.295 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000356819939 141348408 /nfs/dbraw/zinc/34/84/08/141348408.db2.gz FGZPHJBFOLULDM-NVXWUHKLSA-N 2 2 342.487 3.066 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000356819939 141348410 /nfs/dbraw/zinc/34/84/10/141348410.db2.gz FGZPHJBFOLULDM-NVXWUHKLSA-N 2 2 342.487 3.066 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000178287822 144068533 /nfs/dbraw/zinc/06/85/33/144068533.db2.gz VEHVQJQWQQBWDA-KRWDZBQOSA-N 2 2 340.471 3.418 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000178287822 144068534 /nfs/dbraw/zinc/06/85/34/144068534.db2.gz VEHVQJQWQQBWDA-KRWDZBQOSA-N 2 2 340.471 3.418 10 0 EGAELP CCSc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000186216934 144127911 /nfs/dbraw/zinc/12/79/11/144127911.db2.gz FDEOPAIOMYVLBH-LJQANCHMSA-N 2 2 347.572 3.401 10 0 EGAELP CCSc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000186216934 144127912 /nfs/dbraw/zinc/12/79/12/144127912.db2.gz FDEOPAIOMYVLBH-LJQANCHMSA-N 2 2 347.572 3.401 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000351607381 144287651 /nfs/dbraw/zinc/28/76/51/144287651.db2.gz WRFUBYQJUIKGPY-FQEVSTJZSA-N 2 2 340.471 3.357 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000351607381 144287652 /nfs/dbraw/zinc/28/76/52/144287652.db2.gz WRFUBYQJUIKGPY-FQEVSTJZSA-N 2 2 340.471 3.357 10 0 EGAELP Cc1ccnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000363788833 144367055 /nfs/dbraw/zinc/36/70/55/144367055.db2.gz CKKWDPQTAYWQTC-UHFFFAOYSA-N 2 2 333.439 3.350 10 0 EGAELP C[N@H+](Cc1coc2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000121200054 152334544 /nfs/dbraw/zinc/33/45/44/152334544.db2.gz PPDGFUZDOQARAO-UHFFFAOYSA-N 2 2 338.455 3.226 10 0 EGAELP C[N@@H+](Cc1coc2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000121200054 152334548 /nfs/dbraw/zinc/33/45/48/152334548.db2.gz PPDGFUZDOQARAO-UHFFFAOYSA-N 2 2 338.455 3.226 10 0 EGAELP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000121398850 152348809 /nfs/dbraw/zinc/34/88/09/152348809.db2.gz ADWZEVKKPIVOPK-AWEZNQCLSA-N 2 2 338.521 3.192 10 0 EGAELP COCCC1(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CCCCC1 ZINC000189751111 153095410 /nfs/dbraw/zinc/09/54/10/153095410.db2.gz GBENEUALCJKBOJ-GOSISDBHSA-N 2 2 338.536 3.159 10 0 EGAELP COCCC1(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)CCCCC1 ZINC000189751111 153095413 /nfs/dbraw/zinc/09/54/13/153095413.db2.gz GBENEUALCJKBOJ-GOSISDBHSA-N 2 2 338.536 3.159 10 0 EGAELP C=Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000192137255 153245204 /nfs/dbraw/zinc/24/52/04/153245204.db2.gz IOPFPDJGXUXVEC-UHFFFAOYSA-N 2 2 341.499 3.010 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336787024 154212490 /nfs/dbraw/zinc/21/24/90/154212490.db2.gz DCBAOBLSKDMQHJ-OXQOHEQNSA-N 2 2 340.467 3.456 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336787024 154212493 /nfs/dbraw/zinc/21/24/93/154212493.db2.gz DCBAOBLSKDMQHJ-OXQOHEQNSA-N 2 2 340.467 3.456 10 0 EGAELP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337416346 154341845 /nfs/dbraw/zinc/34/18/45/154341845.db2.gz ZLYCKFWSLMDHSN-INIZCTEOSA-N 2 2 340.471 3.393 10 0 EGAELP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337416346 154341846 /nfs/dbraw/zinc/34/18/46/154341846.db2.gz ZLYCKFWSLMDHSN-INIZCTEOSA-N 2 2 340.471 3.393 10 0 EGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486061 154377441 /nfs/dbraw/zinc/37/74/41/154377441.db2.gz IEKMUGMAGPJOOB-FUHWJXTLSA-N 2 2 347.503 3.377 10 0 EGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486061 154377443 /nfs/dbraw/zinc/37/74/43/154377443.db2.gz IEKMUGMAGPJOOB-FUHWJXTLSA-N 2 2 347.503 3.377 10 0 EGAELP CC[N@H+](Cc1ccon1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365505000 157149370 /nfs/dbraw/zinc/14/93/70/157149370.db2.gz ABCGXPFHABCPCT-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP CC[N@@H+](Cc1ccon1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365505000 157149372 /nfs/dbraw/zinc/14/93/72/157149372.db2.gz ABCGXPFHABCPCT-UHFFFAOYSA-N 2 2 343.475 3.387 10 0 EGAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000123250714 162252236 /nfs/dbraw/zinc/25/22/36/162252236.db2.gz SLZRTIBBTRSQGF-GPMSIDNRSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000123250714 162252242 /nfs/dbraw/zinc/25/22/42/162252242.db2.gz SLZRTIBBTRSQGF-GPMSIDNRSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000123250714 162252247 /nfs/dbraw/zinc/25/22/47/162252247.db2.gz SLZRTIBBTRSQGF-GPMSIDNRSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000123250714 162252249 /nfs/dbraw/zinc/25/22/49/162252249.db2.gz SLZRTIBBTRSQGF-GPMSIDNRSA-N 2 2 349.494 3.150 10 0 EGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247210893 162940545 /nfs/dbraw/zinc/94/05/45/162940545.db2.gz WXWWYHNGQAESDE-NVXWUHKLSA-N 2 2 341.459 3.143 10 0 EGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247210893 162940550 /nfs/dbraw/zinc/94/05/50/162940550.db2.gz WXWWYHNGQAESDE-NVXWUHKLSA-N 2 2 341.459 3.143 10 0 EGAELP Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346172221 164356598 /nfs/dbraw/zinc/35/65/98/164356598.db2.gz LEYILRULFJOJQJ-CQSZACIVSA-N 2 2 327.457 3.047 10 0 EGAELP Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346172221 164356600 /nfs/dbraw/zinc/35/66/00/164356600.db2.gz LEYILRULFJOJQJ-CQSZACIVSA-N 2 2 327.457 3.047 10 0 EGAELP Cc1ccc(CCC[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000355150842 166118551 /nfs/dbraw/zinc/11/85/51/166118551.db2.gz LNVQCYMGAWBBEM-KRWDZBQOSA-N 2 2 334.410 3.042 10 0 EGAELP Fc1ccc(-n2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000355588476 166252080 /nfs/dbraw/zinc/25/20/80/166252080.db2.gz WLXBJTALJBMLCP-UHFFFAOYSA-N 2 2 328.435 3.118 10 0 EGAELP COc1ncc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000367432752 168224550 /nfs/dbraw/zinc/22/45/50/168224550.db2.gz WCFZVOUZSQPCTK-CYBMUJFWSA-N 2 2 346.862 3.458 10 0 EGAELP COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000367750687 168266522 /nfs/dbraw/zinc/26/65/22/168266522.db2.gz BIKRAOIZUTZTCW-CYBMUJFWSA-N 2 2 345.468 3.249 10 0 EGAELP CSc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000368033873 168301277 /nfs/dbraw/zinc/30/12/77/168301277.db2.gz BYCTXVJVJHZJLQ-DFNIBXOVSA-N 2 2 345.556 3.151 10 0 EGAELP CSc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000368033873 168301279 /nfs/dbraw/zinc/30/12/79/168301279.db2.gz BYCTXVJVJHZJLQ-DFNIBXOVSA-N 2 2 345.556 3.151 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000122935063 222186129 /nfs/dbraw/zinc/18/61/29/222186129.db2.gz DVEARYODIJYVIX-QGZVFWFLSA-N 2 2 336.443 3.068 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000122935063 222186133 /nfs/dbraw/zinc/18/61/33/222186133.db2.gz DVEARYODIJYVIX-QGZVFWFLSA-N 2 2 336.443 3.068 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970307 222359419 /nfs/dbraw/zinc/35/94/19/222359419.db2.gz BFGFWSCEYMAPSH-HUUCEWRRSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970307 222359421 /nfs/dbraw/zinc/35/94/21/222359421.db2.gz BFGFWSCEYMAPSH-HUUCEWRRSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970307 222359424 /nfs/dbraw/zinc/35/94/24/222359424.db2.gz BFGFWSCEYMAPSH-HUUCEWRRSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970307 222359426 /nfs/dbraw/zinc/35/94/26/222359426.db2.gz BFGFWSCEYMAPSH-HUUCEWRRSA-N 2 2 337.895 3.310 10 0 EGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(N[C@@H]3CCOc4ccccc43)c12 ZINC000178857797 275077657 /nfs/dbraw/zinc/07/76/57/275077657.db2.gz MDQTYLLPNUJHMT-MRXNPFEDSA-N 2 2 344.378 3.146 10 0 EGAELP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000289199081 276303443 /nfs/dbraw/zinc/30/34/43/276303443.db2.gz JMWZNIRQFQZQRQ-INIZCTEOSA-N 2 2 338.386 3.192 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361894938 277478191 /nfs/dbraw/zinc/47/81/91/277478191.db2.gz RLBBOAOQDSYFFQ-OKZBNKHCSA-N 2 2 338.536 3.061 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000249443418 308023988 /nfs/dbraw/zinc/02/39/88/308023988.db2.gz MPNDJTJGTDSLGC-BBWFWOEESA-N 2 2 333.476 3.248 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000249443418 308023989 /nfs/dbraw/zinc/02/39/89/308023989.db2.gz MPNDJTJGTDSLGC-BBWFWOEESA-N 2 2 333.476 3.248 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+]CCc3cccc(C(F)(F)F)n3)n2c1 ZINC000293043443 308093335 /nfs/dbraw/zinc/09/33/35/308093335.db2.gz SNKMGZVZDVHBTJ-UHFFFAOYSA-N 2 2 334.345 3.389 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295871998 308369536 /nfs/dbraw/zinc/36/95/36/308369536.db2.gz GGOWZQSDIQEKJP-FWZVCBSNSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295871998 308369538 /nfs/dbraw/zinc/36/95/38/308369538.db2.gz GGOWZQSDIQEKJP-FWZVCBSNSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295871998 308369539 /nfs/dbraw/zinc/36/95/39/308369539.db2.gz GGOWZQSDIQEKJP-FWZVCBSNSA-N 3 2 327.516 3.112 10 0 EGAELP Cc1cccc2c(N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)cc[nH+]c12 ZINC000301656340 308709428 /nfs/dbraw/zinc/70/94/28/308709428.db2.gz HWAOTMSRUHZIQI-CQSZACIVSA-N 2 2 326.469 3.157 10 0 EGAELP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414884164 309107191 /nfs/dbraw/zinc/10/71/91/309107191.db2.gz USRXQGHQDLWODW-RXVVDRJESA-N 3 2 344.547 3.194 10 0 EGAELP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OCc1ccccc1 ZINC000414939475 309110342 /nfs/dbraw/zinc/11/03/42/309110342.db2.gz WUAFJYSNUNZSOW-APWZRJJASA-N 2 2 340.467 3.362 10 0 EGAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415015787 309114488 /nfs/dbraw/zinc/11/44/88/309114488.db2.gz ZLUBZSWALFDEON-UWVGGRQHSA-N 2 2 340.290 3.398 10 0 EGAELP O=C([C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1)N1CCCCC1 ZINC000419301526 309263757 /nfs/dbraw/zinc/26/37/57/309263757.db2.gz LAQYQZLXDGYSBH-HXUWFJFHSA-N 2 2 348.450 3.178 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420349157 309283600 /nfs/dbraw/zinc/28/36/00/309283600.db2.gz BYGBVYTXZUJLSE-KXBFYZLASA-N 2 2 339.439 3.229 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420349157 309283601 /nfs/dbraw/zinc/28/36/01/309283601.db2.gz BYGBVYTXZUJLSE-KXBFYZLASA-N 2 2 339.439 3.229 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372959 309284817 /nfs/dbraw/zinc/28/48/17/309284817.db2.gz MPXRNRIZFXMYBD-PXNSSMCTSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372959 309284818 /nfs/dbraw/zinc/28/48/18/309284818.db2.gz MPXRNRIZFXMYBD-PXNSSMCTSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383885 309285528 /nfs/dbraw/zinc/28/55/28/309285528.db2.gz SXBXDXBDUIYEHJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383885 309285529 /nfs/dbraw/zinc/28/55/29/309285529.db2.gz SXBXDXBDUIYEHJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420392757 309286195 /nfs/dbraw/zinc/28/61/95/309286195.db2.gz ZXUDIYAZGUWHQP-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420392757 309286196 /nfs/dbraw/zinc/28/61/96/309286196.db2.gz ZXUDIYAZGUWHQP-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422634144 309362913 /nfs/dbraw/zinc/36/29/13/309362913.db2.gz JESMIDPZONWAIU-RKVPGOIHSA-N 2 2 331.504 3.055 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422634144 309362914 /nfs/dbraw/zinc/36/29/14/309362914.db2.gz JESMIDPZONWAIU-RKVPGOIHSA-N 2 2 331.504 3.055 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2cccc(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422780530 309367907 /nfs/dbraw/zinc/36/79/07/309367907.db2.gz HQZFKDDCTMZHKD-UXHICEINSA-N 2 2 328.431 3.460 10 0 EGAELP CCC(CC)(CCO)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422815165 309369843 /nfs/dbraw/zinc/36/98/43/309369843.db2.gz XCXBNGGNVCYDRY-RBUKOAKNSA-N 2 2 334.504 3.267 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2csc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000422819954 309370159 /nfs/dbraw/zinc/37/01/59/309370159.db2.gz ONRRIBOYZAXHDT-MSOLQXFVSA-N 2 2 331.485 3.086 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2nccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422914219 309376005 /nfs/dbraw/zinc/37/60/05/309376005.db2.gz SFSVHGDPODSSNH-AEFFLSMTSA-N 2 2 331.485 3.167 10 0 EGAELP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422934600 309376876 /nfs/dbraw/zinc/37/68/76/309376876.db2.gz CREWVIMAXYEKHV-KGLIPLIRSA-N 2 2 326.444 3.330 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000423374554 309397765 /nfs/dbraw/zinc/39/77/65/309397765.db2.gz XERILNFTWACHSF-MJVIPROJSA-N 2 2 327.266 3.106 10 0 EGAELP CCCC(O)(CCC)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422981586 309379362 /nfs/dbraw/zinc/37/93/62/309379362.db2.gz SZOJZZSISGHUNX-RTBURBONSA-N 2 2 334.504 3.409 10 0 EGAELP CCCC(O)(CCC)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422981583 309379401 /nfs/dbraw/zinc/37/94/01/309379401.db2.gz SZOJZZSISGHUNX-MOPGFXCFSA-N 2 2 334.504 3.409 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000423374556 309397871 /nfs/dbraw/zinc/39/78/71/309397871.db2.gz XERILNFTWACHSF-SUNKGSAMSA-N 2 2 327.266 3.106 10 0 EGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000423062600 309383863 /nfs/dbraw/zinc/38/38/63/309383863.db2.gz UMYFAGSVQAXXQP-OAUYIBNBSA-N 2 2 342.405 3.166 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ncccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423160569 309388907 /nfs/dbraw/zinc/38/89/07/309388907.db2.gz ZSRHWZGCGXDDAZ-UXHICEINSA-N 2 2 325.456 3.024 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423183983 309389435 /nfs/dbraw/zinc/38/94/35/309389435.db2.gz HDLPUUPOVZOWJS-KRWDZBQOSA-N 3 2 349.482 3.406 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423184282 309389587 /nfs/dbraw/zinc/38/95/87/309389587.db2.gz IDVYTYIHMXUIDF-SFHVURJKSA-N 2 2 334.847 3.385 10 0 EGAELP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423188357 309389732 /nfs/dbraw/zinc/38/97/32/309389732.db2.gz NNJYAJSHUQFSAD-KRWDZBQOSA-N 3 2 335.455 3.098 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423230974 309391384 /nfs/dbraw/zinc/39/13/84/309391384.db2.gz AGWUTZZXZWWCGU-CVEARBPZSA-N 2 2 342.439 3.432 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCC1 ZINC000423330682 309395599 /nfs/dbraw/zinc/39/55/99/309395599.db2.gz PQWQMCYRAXJUCP-CYBMUJFWSA-N 2 2 325.250 3.134 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000423374552 309397759 /nfs/dbraw/zinc/39/77/59/309397759.db2.gz XERILNFTWACHSF-COPLHBTASA-N 2 2 327.266 3.106 10 0 EGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442712307 309885001 /nfs/dbraw/zinc/88/50/01/309885001.db2.gz URJSJWIQBJRTOJ-QZTJIDSGSA-N 2 2 333.479 3.398 10 0 EGAELP COc1ncccc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449074341 310034917 /nfs/dbraw/zinc/03/49/17/310034917.db2.gz KOZIJCFFBWEFNA-KRWDZBQOSA-N 2 2 339.483 3.275 10 0 EGAELP Cc1noc(C)c1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449098009 310036847 /nfs/dbraw/zinc/03/68/47/310036847.db2.gz OIPIOULUYMEFCG-OAHLLOKOSA-N 2 2 327.472 3.477 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449203768 310044390 /nfs/dbraw/zinc/04/43/90/310044390.db2.gz KWDRZVWKBVBKSG-JKSUJKDBSA-N 2 2 341.503 3.113 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391840 310058150 /nfs/dbraw/zinc/05/81/50/310058150.db2.gz IMYYRUWOPUOSJX-KBPBESRZSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391840 310058151 /nfs/dbraw/zinc/05/81/51/310058151.db2.gz IMYYRUWOPUOSJX-KBPBESRZSA-N 2 2 330.925 3.159 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452346 310063100 /nfs/dbraw/zinc/06/31/00/310063100.db2.gz KMVIEPDUIMVZCO-RCCFBDPRSA-N 2 2 331.485 3.449 10 0 EGAELP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452346 310063101 /nfs/dbraw/zinc/06/31/01/310063101.db2.gz KMVIEPDUIMVZCO-RCCFBDPRSA-N 2 2 331.485 3.449 10 0 EGAELP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000449495665 310066763 /nfs/dbraw/zinc/06/67/63/310066763.db2.gz OWBHAXSUUGZANZ-PXNSSMCTSA-N 2 2 331.504 3.087 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2sccc21 ZINC000453080553 310256642 /nfs/dbraw/zinc/25/66/42/310256642.db2.gz BEEAQINNPVEDLQ-PVAVHDDUSA-N 2 2 349.544 3.219 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2sccc21 ZINC000453080553 310256643 /nfs/dbraw/zinc/25/66/43/310256643.db2.gz BEEAQINNPVEDLQ-PVAVHDDUSA-N 2 2 349.544 3.219 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000453608010 310284102 /nfs/dbraw/zinc/28/41/02/310284102.db2.gz ZQOJBPHEBVCXTF-VIFPVBQESA-N 2 2 326.263 3.189 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000453608010 310284103 /nfs/dbraw/zinc/28/41/03/310284103.db2.gz ZQOJBPHEBVCXTF-VIFPVBQESA-N 2 2 326.263 3.189 10 0 EGAELP Oc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Br ZINC000459327697 310544315 /nfs/dbraw/zinc/54/43/15/310544315.db2.gz OVKOKMFJCZSHNR-UHFFFAOYSA-N 2 2 336.233 3.257 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)Cc1ccccc1 ZINC000462784007 310605467 /nfs/dbraw/zinc/60/54/67/310605467.db2.gz ZRSVRBBIURGWMV-BURNTYAHSA-N 2 2 330.516 3.344 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000482228188 310928726 /nfs/dbraw/zinc/92/87/26/310928726.db2.gz JPFDARRVGUYMGS-UHFFFAOYSA-N 2 2 343.814 3.107 10 0 EGAELP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059714 311162823 /nfs/dbraw/zinc/16/28/23/311162823.db2.gz UEGWOLXEYCPYJJ-IBGZPJMESA-N 2 2 343.515 3.237 10 0 EGAELP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000491059714 311162825 /nfs/dbraw/zinc/16/28/25/311162825.db2.gz UEGWOLXEYCPYJJ-IBGZPJMESA-N 2 2 343.515 3.237 10 0 EGAELP COc1ccccc1-c1ncc(C[NH2+]CCc2cc[nH+]cc2C)cn1 ZINC000491295250 311172328 /nfs/dbraw/zinc/17/23/28/311172328.db2.gz KGQKBCXHQFYRJP-UHFFFAOYSA-N 2 2 334.423 3.188 10 0 EGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(F)c(Br)cc1F ZINC000527907152 312970643 /nfs/dbraw/zinc/97/06/43/312970643.db2.gz CBVJIQZTCQAEBG-VIFPVBQESA-N 2 2 344.203 3.354 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381866 313078809 /nfs/dbraw/zinc/07/88/09/313078809.db2.gz OJAUHPAMQNCHDW-AEFFLSMTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381866 313078813 /nfs/dbraw/zinc/07/88/13/313078813.db2.gz OJAUHPAMQNCHDW-AEFFLSMTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381866 313078815 /nfs/dbraw/zinc/07/88/15/313078815.db2.gz OJAUHPAMQNCHDW-AEFFLSMTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381866 313078819 /nfs/dbraw/zinc/07/88/19/313078819.db2.gz OJAUHPAMQNCHDW-AEFFLSMTSA-N 2 2 334.479 3.404 10 0 EGAELP OCc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000528491216 313103941 /nfs/dbraw/zinc/10/39/41/313103941.db2.gz IZJLLLOISAKABL-MRXNPFEDSA-N 2 2 343.446 3.230 10 0 EGAELP OCc1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000528491216 313103942 /nfs/dbraw/zinc/10/39/42/313103942.db2.gz IZJLLLOISAKABL-MRXNPFEDSA-N 2 2 343.446 3.230 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000528727372 313157268 /nfs/dbraw/zinc/15/72/68/313157268.db2.gz KWEJNKXUNCTUEW-UHFFFAOYSA-N 2 2 343.446 3.061 10 0 EGAELP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(F)cc1OC ZINC000529564936 313356869 /nfs/dbraw/zinc/35/68/69/313356869.db2.gz HHCMOZWTHWMSBC-XYPWUTKMSA-N 2 2 336.451 3.290 10 0 EGAELP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(F)cc1OC ZINC000529564936 313356873 /nfs/dbraw/zinc/35/68/73/313356873.db2.gz HHCMOZWTHWMSBC-XYPWUTKMSA-N 2 2 336.451 3.290 10 0 EGAELP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1OC ZINC000529564936 313356875 /nfs/dbraw/zinc/35/68/75/313356875.db2.gz HHCMOZWTHWMSBC-XYPWUTKMSA-N 2 2 336.451 3.290 10 0 EGAELP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1OC ZINC000529564936 313356879 /nfs/dbraw/zinc/35/68/79/313356879.db2.gz HHCMOZWTHWMSBC-XYPWUTKMSA-N 2 2 336.451 3.290 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990168 314222652 /nfs/dbraw/zinc/22/26/52/314222652.db2.gz GSRQYWCRMBPGHP-BLLLJJGKSA-N 2 2 328.378 3.157 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990168 314222653 /nfs/dbraw/zinc/22/26/53/314222653.db2.gz GSRQYWCRMBPGHP-BLLLJJGKSA-N 2 2 328.378 3.157 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806662 314340521 /nfs/dbraw/zinc/34/05/21/314340521.db2.gz WYXNDXQHTPBYDF-PBHICJAKSA-N 2 2 335.455 3.011 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806662 314340525 /nfs/dbraw/zinc/34/05/25/314340525.db2.gz WYXNDXQHTPBYDF-PBHICJAKSA-N 2 2 335.455 3.011 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000547424320 314900662 /nfs/dbraw/zinc/90/06/62/314900662.db2.gz LOEZMHSJRNBHKW-UHFFFAOYSA-N 2 2 346.438 3.061 10 0 EGAELP Cc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)no1 ZINC000563800321 316070716 /nfs/dbraw/zinc/07/07/16/316070716.db2.gz QUYXLVHRDUTUBA-QGZVFWFLSA-N 2 2 326.444 3.009 10 0 EGAELP COc1cccc([C@@H]2[C@@H](NCc3[nH]c(C)c(C)[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000565372416 316316090 /nfs/dbraw/zinc/31/60/90/316316090.db2.gz OQHPKCCSHSNPTM-AZUAARDMSA-N 2 2 340.471 3.103 10 0 EGAELP Clc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000570721161 317098186 /nfs/dbraw/zinc/09/81/86/317098186.db2.gz TVWXUPLILQRGBK-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP Clc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000570721161 317098190 /nfs/dbraw/zinc/09/81/90/317098190.db2.gz TVWXUPLILQRGBK-MRXNPFEDSA-N 2 2 329.271 3.448 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC(F)(F)F)c(C)c1 ZINC000572475815 317344319 /nfs/dbraw/zinc/34/43/19/317344319.db2.gz UZIQJNOEWYFFKI-ZBFHGGJFSA-N 2 2 341.377 3.144 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000574367677 317590219 /nfs/dbraw/zinc/59/02/19/317590219.db2.gz KVMONWHILOCHGQ-LBPRGKRZSA-N 2 2 325.441 3.452 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177286657 323338866 /nfs/dbraw/zinc/33/88/66/323338866.db2.gz XLALITNNKMHYQR-CJNGLKHVSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177286657 323338870 /nfs/dbraw/zinc/33/88/70/323338870.db2.gz XLALITNNKMHYQR-CJNGLKHVSA-N 2 2 341.293 3.211 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558244 324280260 /nfs/dbraw/zinc/28/02/60/324280260.db2.gz SMOHXUHWGSDGNK-UKRRQHHQSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558244 324280265 /nfs/dbraw/zinc/28/02/65/324280265.db2.gz SMOHXUHWGSDGNK-UKRRQHHQSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)C(F)(F)F)CCCC1)c1ccccc1 ZINC000576862864 324695577 /nfs/dbraw/zinc/69/55/77/324695577.db2.gz GBVSGWWPJWOPSH-DZGCQCFKSA-N 2 2 330.394 3.163 10 0 EGAELP C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000579701550 325147408 /nfs/dbraw/zinc/14/74/08/325147408.db2.gz CAVACJOHGUEQHU-OAHLLOKOSA-N 2 2 334.423 3.044 10 0 EGAELP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000579701550 325147410 /nfs/dbraw/zinc/14/74/10/325147410.db2.gz CAVACJOHGUEQHU-OAHLLOKOSA-N 2 2 334.423 3.044 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892095 325306191 /nfs/dbraw/zinc/30/61/91/325306191.db2.gz BZZHEDADLGOCGX-LPHOPBHVSA-N 2 2 338.499 3.436 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892095 325306193 /nfs/dbraw/zinc/30/61/93/325306193.db2.gz BZZHEDADLGOCGX-LPHOPBHVSA-N 2 2 338.499 3.436 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012016 325320857 /nfs/dbraw/zinc/32/08/57/325320857.db2.gz OILAZEOATOFCIJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012016 325320859 /nfs/dbraw/zinc/32/08/59/325320859.db2.gz OILAZEOATOFCIJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020517 325321584 /nfs/dbraw/zinc/32/15/84/325321584.db2.gz XTCASDQTLQBTLZ-GXFFZTMASA-N 2 2 340.349 3.067 10 0 EGAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020517 325321588 /nfs/dbraw/zinc/32/15/88/325321588.db2.gz XTCASDQTLQBTLZ-GXFFZTMASA-N 2 2 340.349 3.067 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581549149 325371124 /nfs/dbraw/zinc/37/11/24/325371124.db2.gz YGNVLELEYJWZIX-UZLBHIALSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581549149 325371127 /nfs/dbraw/zinc/37/11/27/325371127.db2.gz YGNVLELEYJWZIX-UZLBHIALSA-N 2 2 329.488 3.213 10 0 EGAELP C[C@@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C[C@@H]1n1cc[nH+]c1 ZINC000583124469 325497092 /nfs/dbraw/zinc/49/70/92/325497092.db2.gz CMWZFFMWSMZJLB-CJNGLKHVSA-N 2 2 332.411 3.395 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1CCCCC1 ZINC000180672729 455223706 /nfs/dbraw/zinc/22/37/06/455223706.db2.gz YTEKKYDGJCZEIK-HZPDHXFCSA-N 2 2 340.471 3.360 10 0 EGAELP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917927 455253332 /nfs/dbraw/zinc/25/33/32/455253332.db2.gz IAFCVGQQAMDWCN-IRXDYDNUSA-N 2 2 342.487 3.416 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623445895 460554793 /nfs/dbraw/zinc/55/47/93/460554793.db2.gz IVFBRPNLUMSHSA-NHYWBVRUSA-N 2 2 346.368 3.339 10 0 EGAELP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000631839656 460579987 /nfs/dbraw/zinc/57/99/87/460579987.db2.gz JETRRMSHCNRJOL-UKRRQHHQSA-N 2 2 331.485 3.235 10 0 EGAELP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000631839656 460579992 /nfs/dbraw/zinc/57/99/92/460579992.db2.gz JETRRMSHCNRJOL-UKRRQHHQSA-N 2 2 331.485 3.235 10 0 EGAELP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623559538 460612129 /nfs/dbraw/zinc/61/21/29/460612129.db2.gz FPDLCJZNKBHGPF-MSOLQXFVSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559538 460612132 /nfs/dbraw/zinc/61/21/32/460612132.db2.gz FPDLCJZNKBHGPF-MSOLQXFVSA-N 2 2 326.488 3.166 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nnc2n1CCCCC2 ZINC000043926447 454083599 /nfs/dbraw/zinc/08/35/99/454083599.db2.gz LAXOAWONHOPMDW-HNNXBMFYSA-N 2 2 336.443 3.041 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131798755 454286684 /nfs/dbraw/zinc/28/66/84/454286684.db2.gz ZCWHUSGZTMLQQY-WBMJQRKESA-N 2 2 338.908 3.308 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131798755 454286689 /nfs/dbraw/zinc/28/66/89/454286689.db2.gz ZCWHUSGZTMLQQY-WBMJQRKESA-N 2 2 338.908 3.308 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879314 454347970 /nfs/dbraw/zinc/34/79/70/454347970.db2.gz YAEAQVPYIHRFSU-PXNSSMCTSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879314 454347971 /nfs/dbraw/zinc/34/79/71/454347971.db2.gz YAEAQVPYIHRFSU-PXNSSMCTSA-N 2 2 347.466 3.192 10 0 EGAELP c1cn(Cc2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)c[nH+]1 ZINC000102421690 454503959 /nfs/dbraw/zinc/50/39/59/454503959.db2.gz IEYVSAMWWZNINV-UHFFFAOYSA-N 2 2 331.419 3.497 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135127367 454635589 /nfs/dbraw/zinc/63/55/89/454635589.db2.gz RXPOZJCXJLTDHH-LJQANCHMSA-N 2 2 341.455 3.421 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863552 454661391 /nfs/dbraw/zinc/66/13/91/454661391.db2.gz OXSYEIPEEHFGHR-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863552 454661397 /nfs/dbraw/zinc/66/13/97/454661397.db2.gz OXSYEIPEEHFGHR-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000123805509 454676880 /nfs/dbraw/zinc/67/68/80/454676880.db2.gz SOOJTMNABJBZFK-CVEARBPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000123805509 454676885 /nfs/dbraw/zinc/67/68/85/454676885.db2.gz SOOJTMNABJBZFK-CVEARBPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805509 454676888 /nfs/dbraw/zinc/67/68/88/454676888.db2.gz SOOJTMNABJBZFK-CVEARBPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805509 454676891 /nfs/dbraw/zinc/67/68/91/454676891.db2.gz SOOJTMNABJBZFK-CVEARBPZSA-N 2 2 331.504 3.337 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000081096322 454685078 /nfs/dbraw/zinc/68/50/78/454685078.db2.gz UMJARUWWBPHFGM-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000081096322 454685083 /nfs/dbraw/zinc/68/50/83/454685083.db2.gz UMJARUWWBPHFGM-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000081096322 454685087 /nfs/dbraw/zinc/68/50/87/454685087.db2.gz UMJARUWWBPHFGM-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000081096322 454685090 /nfs/dbraw/zinc/68/50/90/454685090.db2.gz UMJARUWWBPHFGM-RHSMWYFYSA-N 2 2 337.895 3.249 10 0 EGAELP CCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683885 454728392 /nfs/dbraw/zinc/72/83/92/454728392.db2.gz AKWRLLGZRPDWTQ-KRWDZBQOSA-N 2 2 326.488 3.364 10 0 EGAELP CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683885 454728394 /nfs/dbraw/zinc/72/83/94/454728394.db2.gz AKWRLLGZRPDWTQ-KRWDZBQOSA-N 2 2 326.488 3.364 10 0 EGAELP c1nc(-c2cccnc2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865813 454742053 /nfs/dbraw/zinc/74/20/53/454742053.db2.gz GSEZAGGASLZLCS-MRXNPFEDSA-N 2 2 338.436 3.253 10 0 EGAELP c1nc(-c2cccnc2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865813 454742058 /nfs/dbraw/zinc/74/20/58/454742058.db2.gz GSEZAGGASLZLCS-MRXNPFEDSA-N 2 2 338.436 3.253 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000109999255 454839938 /nfs/dbraw/zinc/83/99/38/454839938.db2.gz LNGRENYGEZFSAB-OAQYLSRUSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCCc1ccccc1 ZINC000109999255 454839942 /nfs/dbraw/zinc/83/99/42/454839942.db2.gz LNGRENYGEZFSAB-OAQYLSRUSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](CCCc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000109999255 454839944 /nfs/dbraw/zinc/83/99/44/454839944.db2.gz LNGRENYGEZFSAB-OAQYLSRUSA-N 2 2 326.484 3.044 10 0 EGAELP C[NH+](CCCc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000109999255 454839948 /nfs/dbraw/zinc/83/99/48/454839948.db2.gz LNGRENYGEZFSAB-OAQYLSRUSA-N 2 2 326.484 3.044 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000163334112 454840621 /nfs/dbraw/zinc/84/06/21/454840621.db2.gz KUUXGGCTTIXORO-GZBFAFLISA-N 2 2 326.531 3.374 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000163334112 454840624 /nfs/dbraw/zinc/84/06/24/454840624.db2.gz KUUXGGCTTIXORO-GZBFAFLISA-N 2 2 326.531 3.374 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](c2ccccc2)O1 ZINC000177266939 454844494 /nfs/dbraw/zinc/84/44/94/454844494.db2.gz OUBKTQROHJMBOG-QFBILLFUSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](c2ccccc2)O1 ZINC000177266939 454844498 /nfs/dbraw/zinc/84/44/98/454844498.db2.gz OUBKTQROHJMBOG-QFBILLFUSA-N 2 2 334.423 3.229 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000246305434 455467892 /nfs/dbraw/zinc/46/78/92/455467892.db2.gz DJWIHJDPBOUCFO-OGGWMQHOSA-N 2 2 341.499 3.137 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000246305434 455467897 /nfs/dbraw/zinc/46/78/97/455467897.db2.gz DJWIHJDPBOUCFO-OGGWMQHOSA-N 2 2 341.499 3.137 10 0 EGAELP c1cc(-c2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cs1 ZINC000151103067 454938546 /nfs/dbraw/zinc/93/85/46/454938546.db2.gz CXUZXWKUXQBJGB-ZDUSSCGKSA-N 2 2 341.440 3.127 10 0 EGAELP c1cc(-c2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cs1 ZINC000151103067 454938549 /nfs/dbraw/zinc/93/85/49/454938549.db2.gz CXUZXWKUXQBJGB-ZDUSSCGKSA-N 2 2 341.440 3.127 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000151259313 454960034 /nfs/dbraw/zinc/96/00/34/454960034.db2.gz TZIAPXOJBKRLDP-OLZOCXBDSA-N 2 2 331.287 3.491 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747638 454971893 /nfs/dbraw/zinc/97/18/93/454971893.db2.gz GSIHWWOWXWFBEA-HNNXBMFYSA-N 2 2 341.434 3.365 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000178876295 454986932 /nfs/dbraw/zinc/98/69/32/454986932.db2.gz WDEJQLFLABCRJD-UHFFFAOYSA-N 2 2 348.450 3.037 10 0 EGAELP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000115371924 455012210 /nfs/dbraw/zinc/01/22/10/455012210.db2.gz ADFRPYFJSFEGEA-QGZVFWFLSA-N 2 2 339.439 3.396 10 0 EGAELP CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000115371924 455012215 /nfs/dbraw/zinc/01/22/15/455012215.db2.gz ADFRPYFJSFEGEA-QGZVFWFLSA-N 2 2 339.439 3.396 10 0 EGAELP Cc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1-c1ccccc1 ZINC000180127039 455136416 /nfs/dbraw/zinc/13/64/16/455136416.db2.gz YBYKTDVBZBPHOM-IBGZPJMESA-N 2 2 335.455 3.350 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648304 455216944 /nfs/dbraw/zinc/21/69/44/455216944.db2.gz ZMTGBQLMVBHYOJ-MRXNPFEDSA-N 2 2 346.434 3.112 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000265492956 455335088 /nfs/dbraw/zinc/33/50/88/455335088.db2.gz NPNROMWSIGVPSH-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000174283927 455376317 /nfs/dbraw/zinc/37/63/17/455376317.db2.gz NOHHUZFIGDVRBD-STQMWFEESA-N 2 2 347.413 3.116 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182089583 455432975 /nfs/dbraw/zinc/43/29/75/455432975.db2.gz NKMPAXFVBFLIBQ-RDTXWAMCSA-N 2 2 326.431 3.220 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246484119 455499349 /nfs/dbraw/zinc/49/93/49/455499349.db2.gz GSENMKABIWREDE-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246484119 455499352 /nfs/dbraw/zinc/49/93/52/455499352.db2.gz GSENMKABIWREDE-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246484119 455499355 /nfs/dbraw/zinc/49/93/55/455499355.db2.gz GSENMKABIWREDE-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246484119 455499357 /nfs/dbraw/zinc/49/93/57/455499357.db2.gz GSENMKABIWREDE-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246715713 455519212 /nfs/dbraw/zinc/51/92/12/455519212.db2.gz CXGHCEFGJYPJAN-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246715713 455519220 /nfs/dbraw/zinc/51/92/20/455519220.db2.gz CXGHCEFGJYPJAN-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246715713 455519225 /nfs/dbraw/zinc/51/92/25/455519225.db2.gz CXGHCEFGJYPJAN-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246715713 455519227 /nfs/dbraw/zinc/51/92/27/455519227.db2.gz CXGHCEFGJYPJAN-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245442 455607048 /nfs/dbraw/zinc/60/70/48/455607048.db2.gz XFFMZIATKDLWRR-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245442 455607049 /nfs/dbraw/zinc/60/70/49/455607049.db2.gz XFFMZIATKDLWRR-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245442 455607054 /nfs/dbraw/zinc/60/70/54/455607054.db2.gz XFFMZIATKDLWRR-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)ccc1F ZINC000292245442 455607056 /nfs/dbraw/zinc/60/70/56/455607056.db2.gz XFFMZIATKDLWRR-AUUYWEPGSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc2nc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)cn2c1 ZINC000283906459 455610887 /nfs/dbraw/zinc/61/08/87/455610887.db2.gz KHDJYRZGJNAJOV-UHFFFAOYSA-N 2 2 326.419 3.133 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266948 455612688 /nfs/dbraw/zinc/61/26/88/455612688.db2.gz ZDDFSUYSJPJRNM-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266948 455612690 /nfs/dbraw/zinc/61/26/90/455612690.db2.gz ZDDFSUYSJPJRNM-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266948 455612695 /nfs/dbraw/zinc/61/26/95/455612695.db2.gz ZDDFSUYSJPJRNM-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292266948 455612697 /nfs/dbraw/zinc/61/26/97/455612697.db2.gz ZDDFSUYSJPJRNM-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000247804321 455646964 /nfs/dbraw/zinc/64/69/64/455646964.db2.gz SEXKPEMYHQCGFP-KZNAEPCWSA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000247804321 455646966 /nfs/dbraw/zinc/64/69/66/455646966.db2.gz SEXKPEMYHQCGFP-KZNAEPCWSA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C1 ZINC000247815116 455647596 /nfs/dbraw/zinc/64/75/96/455647596.db2.gz WBMOYFHRKPZKCW-MSOLQXFVSA-N 2 2 348.535 3.413 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)C1 ZINC000247815116 455647600 /nfs/dbraw/zinc/64/76/00/455647600.db2.gz WBMOYFHRKPZKCW-MSOLQXFVSA-N 2 2 348.535 3.413 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccnn1C ZINC000192620760 455655287 /nfs/dbraw/zinc/65/52/87/455655287.db2.gz DCVDUCXXVIUGAY-CQSZACIVSA-N 2 2 332.879 3.389 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261683460 455927254 /nfs/dbraw/zinc/92/72/54/455927254.db2.gz HEGHPJQMIKDEGZ-RVKKMQEKSA-N 2 2 349.906 3.063 10 0 EGAELP C[NH+](CCC[N@@H+](C)C[C@H](O)c1cc(F)ccc1F)Cc1ccco1 ZINC000285882782 455934948 /nfs/dbraw/zinc/93/49/48/455934948.db2.gz ZNUVOIYLHSFWFL-SFHVURJKSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@H+](C)C[C@H](O)c1cc(F)ccc1F)Cc1ccco1 ZINC000285882782 455934952 /nfs/dbraw/zinc/93/49/52/455934952.db2.gz ZNUVOIYLHSFWFL-SFHVURJKSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)c1cc(F)ccc1F ZINC000285882782 455934955 /nfs/dbraw/zinc/93/49/55/455934955.db2.gz ZNUVOIYLHSFWFL-SFHVURJKSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)c1cc(F)ccc1F ZINC000285882782 455934958 /nfs/dbraw/zinc/93/49/58/455934958.db2.gz ZNUVOIYLHSFWFL-SFHVURJKSA-N 2 2 338.398 3.045 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272393973 455936164 /nfs/dbraw/zinc/93/61/64/455936164.db2.gz DESJRANBVFLTJM-NVXWUHKLSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272393973 455936166 /nfs/dbraw/zinc/93/61/66/455936166.db2.gz DESJRANBVFLTJM-NVXWUHKLSA-N 2 2 342.439 3.066 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271167865 456151172 /nfs/dbraw/zinc/15/11/72/456151172.db2.gz CDCXVXFEHJAUEF-UHFFFAOYSA-N 2 2 325.391 3.319 10 0 EGAELP Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)c(C)c1 ZINC000188944520 456178625 /nfs/dbraw/zinc/17/86/25/456178625.db2.gz FASFPRXIDSFOCK-GOSISDBHSA-N 2 2 348.450 3.155 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189068286 456217987 /nfs/dbraw/zinc/21/79/87/456217987.db2.gz UEJWMXJFCCQIPR-CQSZACIVSA-N 2 2 341.390 3.045 10 0 EGAELP C[C@H]1C[N@@H+]([C@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000301885457 456241842 /nfs/dbraw/zinc/24/18/42/456241842.db2.gz OQIPXFBMPZZQIH-XJKSGUPXSA-N 2 2 342.468 3.498 10 0 EGAELP C[C@H]1C[N@H+]([C@H](CNc2[nH]c3ccccc3[nH+]2)c2cccs2)CCO1 ZINC000301885457 456241848 /nfs/dbraw/zinc/24/18/48/456241848.db2.gz OQIPXFBMPZZQIH-XJKSGUPXSA-N 2 2 342.468 3.498 10 0 EGAELP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cnn3ccccc23)CC1 ZINC000275797196 456316123 /nfs/dbraw/zinc/31/61/23/456316123.db2.gz SQYZVWVFALIHLW-FQEVSTJZSA-N 2 2 349.482 3.216 10 0 EGAELP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cnn3ccccc23)CC1 ZINC000275797196 456316127 /nfs/dbraw/zinc/31/61/27/456316127.db2.gz SQYZVWVFALIHLW-FQEVSTJZSA-N 2 2 349.482 3.216 10 0 EGAELP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC000275797196 456316129 /nfs/dbraw/zinc/31/61/29/456316129.db2.gz SQYZVWVFALIHLW-FQEVSTJZSA-N 2 2 349.482 3.216 10 0 EGAELP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC000275797196 456316132 /nfs/dbraw/zinc/31/61/32/456316132.db2.gz SQYZVWVFALIHLW-FQEVSTJZSA-N 2 2 349.482 3.216 10 0 EGAELP CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000340288619 456364175 /nfs/dbraw/zinc/36/41/75/456364175.db2.gz UNNCAPJIJIAOBP-IBGZPJMESA-N 2 2 342.531 3.106 10 0 EGAELP CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000340288619 456364181 /nfs/dbraw/zinc/36/41/81/456364181.db2.gz UNNCAPJIJIAOBP-IBGZPJMESA-N 2 2 342.531 3.106 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000347794525 456371059 /nfs/dbraw/zinc/37/10/59/456371059.db2.gz WOSDUIKWTFDZGK-HNNXBMFYSA-N 2 2 345.468 3.271 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000347794525 456371068 /nfs/dbraw/zinc/37/10/68/456371068.db2.gz WOSDUIKWTFDZGK-HNNXBMFYSA-N 2 2 345.468 3.271 10 0 EGAELP COc1ccnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000658224220 462434275 /nfs/dbraw/zinc/43/42/75/462434275.db2.gz OJFIIXHBFGXEJI-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000658224220 462434277 /nfs/dbraw/zinc/43/42/77/462434277.db2.gz OJFIIXHBFGXEJI-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000353291143 456615662 /nfs/dbraw/zinc/61/56/62/456615662.db2.gz MSQQURJWNVMSFQ-YTQUADARSA-N 2 2 338.536 3.061 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321004170 456634898 /nfs/dbraw/zinc/63/48/98/456634898.db2.gz OFWNYEVRJXVORS-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321004170 456634903 /nfs/dbraw/zinc/63/49/03/456634903.db2.gz OFWNYEVRJXVORS-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321325805 456638079 /nfs/dbraw/zinc/63/80/79/456638079.db2.gz SCXPVESBIISFJM-HOCLYGCPSA-N 2 2 328.485 3.169 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321325805 456638084 /nfs/dbraw/zinc/63/80/84/456638084.db2.gz SCXPVESBIISFJM-HOCLYGCPSA-N 2 2 328.485 3.169 10 0 EGAELP Cn1cc(-c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)s2)cn1 ZINC000282833015 456639018 /nfs/dbraw/zinc/63/90/18/456639018.db2.gz QSPPWQNAEUCZMT-UHFFFAOYSA-N 2 2 327.457 3.251 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505318 456666607 /nfs/dbraw/zinc/66/66/07/456666607.db2.gz DEVFWZKWOUIVDL-KXBFYZLASA-N 2 2 327.472 3.246 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505318 456666615 /nfs/dbraw/zinc/66/66/15/456666615.db2.gz DEVFWZKWOUIVDL-KXBFYZLASA-N 2 2 327.472 3.246 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735454 /nfs/dbraw/zinc/73/54/54/456735454.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 3 2 342.462 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735458 /nfs/dbraw/zinc/73/54/58/456735458.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 3 2 342.462 3.282 10 0 EGAELP COC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611962 456802967 /nfs/dbraw/zinc/80/29/67/456802967.db2.gz PTRQWPZVPZYOJC-XJKSGUPXSA-N 2 2 339.361 3.263 10 0 EGAELP COC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611962 456802972 /nfs/dbraw/zinc/80/29/72/456802972.db2.gz PTRQWPZVPZYOJC-XJKSGUPXSA-N 2 2 339.361 3.263 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000353674125 456846295 /nfs/dbraw/zinc/84/62/95/456846295.db2.gz HPDYTHFUXCFSAS-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000353674125 456846303 /nfs/dbraw/zinc/84/63/03/456846303.db2.gz HPDYTHFUXCFSAS-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000353674125 456846309 /nfs/dbraw/zinc/84/63/09/456846309.db2.gz HPDYTHFUXCFSAS-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000353674125 456846315 /nfs/dbraw/zinc/84/63/15/456846315.db2.gz HPDYTHFUXCFSAS-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP Cc1[nH]c2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2[nH+]1 ZINC000341900215 456992135 /nfs/dbraw/zinc/99/21/35/456992135.db2.gz IHDBHPJHFLCIFO-UHFFFAOYSA-N 2 2 338.411 3.064 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354119324 457076732 /nfs/dbraw/zinc/07/67/32/457076732.db2.gz ZLMWXADJEBSJQD-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354119324 457076738 /nfs/dbraw/zinc/07/67/38/457076738.db2.gz ZLMWXADJEBSJQD-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000354125895 457080811 /nfs/dbraw/zinc/08/08/11/457080811.db2.gz URDZRDYJVGXCRX-JENIJYKNSA-N 2 2 337.552 3.124 10 0 EGAELP C[C@@H]([C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000354125895 457080814 /nfs/dbraw/zinc/08/08/14/457080814.db2.gz URDZRDYJVGXCRX-JENIJYKNSA-N 2 2 337.552 3.124 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H](CO)c2cccc(Br)c2)c[nH+]1 ZINC000354466035 457240425 /nfs/dbraw/zinc/24/04/25/457240425.db2.gz QHDGMGCYDWFVIH-QGZVFWFLSA-N 2 2 349.272 3.408 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000342426520 457297562 /nfs/dbraw/zinc/29/75/62/457297562.db2.gz LCKXBKXQHFDNRV-QGZVFWFLSA-N 2 2 349.482 3.186 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCCC[NH+]1CCCC1)C2 ZINC000357089343 457316808 /nfs/dbraw/zinc/31/68/08/457316808.db2.gz RSYYJLVCRPBIJB-MRXNPFEDSA-N 2 2 346.519 3.020 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCCC[NH+]1CCCC1)CC2 ZINC000357089343 457316816 /nfs/dbraw/zinc/31/68/16/457316816.db2.gz RSYYJLVCRPBIJB-MRXNPFEDSA-N 2 2 346.519 3.020 10 0 EGAELP COCC[N@H+](Cc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000347282841 457328904 /nfs/dbraw/zinc/32/89/04/457328904.db2.gz ZEXXTYAGJVSPGF-UHFFFAOYSA-N 2 2 336.439 3.224 10 0 EGAELP COCC[N@@H+](Cc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000347282841 457328912 /nfs/dbraw/zinc/32/89/12/457328912.db2.gz ZEXXTYAGJVSPGF-UHFFFAOYSA-N 2 2 336.439 3.224 10 0 EGAELP c1cn2cc(C[NH2+]C3[C@@H]4C[C@H]3C[N@@H+](Cc3ccccc3)C4)nc2s1 ZINC000399624754 457510832 /nfs/dbraw/zinc/51/08/32/457510832.db2.gz ODVBKKIBTYAVKH-BYICEURKSA-N 2 2 338.480 3.006 10 0 EGAELP c1cn2cc(C[NH2+]C3[C@@H]4C[C@H]3C[N@H+](Cc3ccccc3)C4)nc2s1 ZINC000399624754 457510841 /nfs/dbraw/zinc/51/08/41/457510841.db2.gz ODVBKKIBTYAVKH-BYICEURKSA-N 2 2 338.480 3.006 10 0 EGAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400398571 457514739 /nfs/dbraw/zinc/51/47/39/457514739.db2.gz PFEUXUREBUNICA-ZACQAIPSSA-N 2 2 339.524 3.096 10 0 EGAELP CC(C)N(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374200039 457518852 /nfs/dbraw/zinc/51/88/52/457518852.db2.gz NLDMWDCNSJFAKR-UHFFFAOYSA-N 2 2 326.444 3.031 10 0 EGAELP CC(C)N(C(=O)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000374200039 457518856 /nfs/dbraw/zinc/51/88/56/457518856.db2.gz NLDMWDCNSJFAKR-UHFFFAOYSA-N 2 2 326.444 3.031 10 0 EGAELP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370483473 457659287 /nfs/dbraw/zinc/65/92/87/457659287.db2.gz JWWGHUUXCGGGAI-HXUWFJFHSA-N 2 2 335.451 3.346 10 0 EGAELP CCN(CC)C(=O)C[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361286287 457679206 /nfs/dbraw/zinc/67/92/06/457679206.db2.gz GFYLZVZVCJUNID-UHFFFAOYSA-N 2 2 344.503 3.315 10 0 EGAELP CCN(CC)C(=O)C[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361286287 457679207 /nfs/dbraw/zinc/67/92/07/457679207.db2.gz GFYLZVZVCJUNID-UHFFFAOYSA-N 2 2 344.503 3.315 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000361285900 457679237 /nfs/dbraw/zinc/67/92/37/457679237.db2.gz GCZUICMHHZAYRF-IBGZPJMESA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000361285900 457679238 /nfs/dbraw/zinc/67/92/38/457679238.db2.gz GCZUICMHHZAYRF-IBGZPJMESA-N 2 2 342.487 3.068 10 0 EGAELP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1 ZINC000361338147 457699169 /nfs/dbraw/zinc/69/91/69/457699169.db2.gz CIFFBVFKDFJMHH-OAQYLSRUSA-N 2 2 342.458 3.156 10 0 EGAELP Clc1cccc2c1CC[N@H+](CCNc1cc[nH+]c3ccncc13)C2 ZINC000443483107 457768854 /nfs/dbraw/zinc/76/88/54/457768854.db2.gz AONDKBMBELWFLI-UHFFFAOYSA-N 2 2 338.842 3.175 10 0 EGAELP Clc1cccc2c1CC[N@@H+](CCNc1cc[nH+]c3ccncc13)C2 ZINC000443483107 457768858 /nfs/dbraw/zinc/76/88/58/457768858.db2.gz AONDKBMBELWFLI-UHFFFAOYSA-N 2 2 338.842 3.175 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000443888865 457820913 /nfs/dbraw/zinc/82/09/13/457820913.db2.gz MTFBYILBCJQSTI-UHFFFAOYSA-N 2 2 327.476 3.359 10 0 EGAELP CCN(C(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000369344591 458181488 /nfs/dbraw/zinc/18/14/88/458181488.db2.gz PLXXCFQSRASSBS-HNNXBMFYSA-N 2 2 326.444 3.031 10 0 EGAELP CCN(C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000369344591 458181497 /nfs/dbraw/zinc/18/14/97/458181497.db2.gz PLXXCFQSRASSBS-HNNXBMFYSA-N 2 2 326.444 3.031 10 0 EGAELP COC1(C[C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000429524542 458340228 /nfs/dbraw/zinc/34/02/28/458340228.db2.gz XFULDKXWNLOBLP-LJQANCHMSA-N 2 2 345.531 3.136 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459376079 458349313 /nfs/dbraw/zinc/34/93/13/458349313.db2.gz ZSYHRVZXLMLGAJ-LLVKDONJSA-N 2 2 344.406 3.318 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459376079 458349314 /nfs/dbraw/zinc/34/93/14/458349314.db2.gz ZSYHRVZXLMLGAJ-LLVKDONJSA-N 2 2 344.406 3.318 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000459413828 458363833 /nfs/dbraw/zinc/36/38/33/458363833.db2.gz RQKZWRVTFAEDLX-MRXNPFEDSA-N 2 2 339.361 3.055 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000459413828 458363836 /nfs/dbraw/zinc/36/38/36/458363836.db2.gz RQKZWRVTFAEDLX-MRXNPFEDSA-N 2 2 339.361 3.055 10 0 EGAELP COCc1cccc(OCC2(C[NH2+]C(C)(C)C[NH+](C)C)CCC2)c1 ZINC000459550001 458408551 /nfs/dbraw/zinc/40/85/51/458408551.db2.gz ODMBXJWZCNHZKC-UHFFFAOYSA-N 2 2 334.504 3.312 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)c1 ZINC000459658218 458438119 /nfs/dbraw/zinc/43/81/19/458438119.db2.gz JBRKJFBZJGGUCX-UHFFFAOYSA-N 2 2 334.395 3.154 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486110 458506829 /nfs/dbraw/zinc/50/68/29/458506829.db2.gz QNORORVPMJTYNX-ORBLRFAASA-N 3 2 345.453 3.008 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486110 458506830 /nfs/dbraw/zinc/50/68/30/458506830.db2.gz QNORORVPMJTYNX-ORBLRFAASA-N 3 2 345.453 3.008 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCC ZINC000377770306 458519807 /nfs/dbraw/zinc/51/98/07/458519807.db2.gz CCDASOKBQGGRJS-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCC ZINC000377770306 458519814 /nfs/dbraw/zinc/51/98/14/458519814.db2.gz CCDASOKBQGGRJS-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378055251 458613152 /nfs/dbraw/zinc/61/31/52/458613152.db2.gz HSEZAJHXHKXBNL-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP CC1=CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574001 458637105 /nfs/dbraw/zinc/63/71/05/458637105.db2.gz VVQPXQRTZZNLJV-FPOVZHCZSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574001 458637110 /nfs/dbraw/zinc/63/71/10/458637110.db2.gz VVQPXQRTZZNLJV-FPOVZHCZSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574001 458637113 /nfs/dbraw/zinc/63/71/13/458637113.db2.gz VVQPXQRTZZNLJV-FPOVZHCZSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574001 458637115 /nfs/dbraw/zinc/63/71/15/458637115.db2.gz VVQPXQRTZZNLJV-FPOVZHCZSA-N 2 2 327.516 3.139 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231245 458724661 /nfs/dbraw/zinc/72/46/61/458724661.db2.gz HCRYYKMQUMCMPP-SKKUXFBHSA-N 2 2 328.500 3.148 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231245 458724667 /nfs/dbraw/zinc/72/46/67/458724667.db2.gz HCRYYKMQUMCMPP-SKKUXFBHSA-N 2 2 328.500 3.148 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271365 458873477 /nfs/dbraw/zinc/87/34/77/458873477.db2.gz XQODDAASYAXXPZ-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271365 458873478 /nfs/dbraw/zinc/87/34/78/458873478.db2.gz XQODDAASYAXXPZ-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271365 458873479 /nfs/dbraw/zinc/87/34/79/458873479.db2.gz XQODDAASYAXXPZ-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271365 458873482 /nfs/dbraw/zinc/87/34/82/458873482.db2.gz XQODDAASYAXXPZ-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CCCCNC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441384935 458933723 /nfs/dbraw/zinc/93/37/23/458933723.db2.gz RECUWVHFJMIKHZ-MJGOQNOKSA-N 2 2 342.487 3.136 10 0 EGAELP CCCCNC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441384932 458934477 /nfs/dbraw/zinc/93/44/77/458934477.db2.gz RECUWVHFJMIKHZ-IEBWSBKVSA-N 2 2 342.487 3.136 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CCN1CCCC1=O ZINC000577034982 458966592 /nfs/dbraw/zinc/96/65/92/458966592.db2.gz SIHNMSRYROUXLJ-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CCN1CCCC1=O ZINC000577034982 458966593 /nfs/dbraw/zinc/96/65/93/458966593.db2.gz SIHNMSRYROUXLJ-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442712310 459026252 /nfs/dbraw/zinc/02/62/52/459026252.db2.gz URJSJWIQBJRTOJ-ROUUACIJSA-N 2 2 333.479 3.398 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000532213600 459047773 /nfs/dbraw/zinc/04/77/73/459047773.db2.gz HDOCJTVVWYWITD-NEPJUHHUSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000532213600 459047774 /nfs/dbraw/zinc/04/77/74/459047774.db2.gz HDOCJTVVWYWITD-NEPJUHHUSA-N 2 2 347.322 3.272 10 0 EGAELP CC[N@H+](CCc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126520 459088132 /nfs/dbraw/zinc/08/81/32/459088132.db2.gz LNMATOZJBRVRTG-GOSISDBHSA-N 2 2 332.513 3.105 10 0 EGAELP CC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126520 459088137 /nfs/dbraw/zinc/08/81/37/459088137.db2.gz LNMATOZJBRVRTG-GOSISDBHSA-N 2 2 332.513 3.105 10 0 EGAELP CC[NH+](CCc1cccs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126520 459088147 /nfs/dbraw/zinc/08/81/47/459088147.db2.gz LNMATOZJBRVRTG-GOSISDBHSA-N 2 2 332.513 3.105 10 0 EGAELP CC[NH+](CCc1cccs1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126520 459088154 /nfs/dbraw/zinc/08/81/54/459088154.db2.gz LNMATOZJBRVRTG-GOSISDBHSA-N 2 2 332.513 3.105 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000532437616 459089002 /nfs/dbraw/zinc/08/90/02/459089002.db2.gz DWILSQCXUZFFEE-MRXNPFEDSA-N 2 2 326.444 3.240 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000532437616 459089008 /nfs/dbraw/zinc/08/90/08/459089008.db2.gz DWILSQCXUZFFEE-MRXNPFEDSA-N 2 2 326.444 3.240 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000594608173 459110889 /nfs/dbraw/zinc/11/08/89/459110889.db2.gz IXOSKQHHYNLQQR-SFHVURJKSA-N 2 2 342.439 3.129 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)o1 ZINC000594608173 459110894 /nfs/dbraw/zinc/11/08/94/459110894.db2.gz IXOSKQHHYNLQQR-SFHVURJKSA-N 2 2 342.439 3.129 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884703 459114388 /nfs/dbraw/zinc/11/43/88/459114388.db2.gz VSKFYVORCHCITD-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884703 459114395 /nfs/dbraw/zinc/11/43/95/459114395.db2.gz VSKFYVORCHCITD-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884703 459114400 /nfs/dbraw/zinc/11/44/00/459114400.db2.gz VSKFYVORCHCITD-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884703 459114403 /nfs/dbraw/zinc/11/44/03/459114403.db2.gz VSKFYVORCHCITD-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567613957 459133947 /nfs/dbraw/zinc/13/39/47/459133947.db2.gz WOALSWXJXJCPEV-HRAATJIYSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567613957 459133952 /nfs/dbraw/zinc/13/39/52/459133952.db2.gz WOALSWXJXJCPEV-HRAATJIYSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567613958 459134228 /nfs/dbraw/zinc/13/42/28/459134228.db2.gz WOALSWXJXJCPEV-IERDGZPVSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567613958 459134237 /nfs/dbraw/zinc/13/42/37/459134237.db2.gz WOALSWXJXJCPEV-IERDGZPVSA-N 2 2 343.515 3.214 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000595012762 459215540 /nfs/dbraw/zinc/21/55/40/459215540.db2.gz ODWDWLDAIRHHPY-HNNXBMFYSA-N 2 2 331.460 3.143 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000595018751 459218360 /nfs/dbraw/zinc/21/83/60/459218360.db2.gz FYWSAUHXIWLMRQ-HNNXBMFYSA-N 2 2 345.487 3.463 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000595611401 459366532 /nfs/dbraw/zinc/36/65/32/459366532.db2.gz CQLFXSXVOXGZMJ-SFHVURJKSA-N 2 2 341.455 3.214 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000595611401 459366537 /nfs/dbraw/zinc/36/65/37/459366537.db2.gz CQLFXSXVOXGZMJ-SFHVURJKSA-N 2 2 341.455 3.214 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1OC ZINC000560548838 459372419 /nfs/dbraw/zinc/37/24/19/459372419.db2.gz CNUIJOMOPZVQCO-MRXNPFEDSA-N 2 2 332.488 3.185 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1OC ZINC000560548838 459372424 /nfs/dbraw/zinc/37/24/24/459372424.db2.gz CNUIJOMOPZVQCO-MRXNPFEDSA-N 2 2 332.488 3.185 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473948 459389074 /nfs/dbraw/zinc/38/90/74/459389074.db2.gz NHLJDDOWTPEHQA-CTNGQTDRSA-N 2 2 342.458 3.108 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473948 459389082 /nfs/dbraw/zinc/38/90/82/459389082.db2.gz NHLJDDOWTPEHQA-CTNGQTDRSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473948 459389087 /nfs/dbraw/zinc/38/90/87/459389087.db2.gz NHLJDDOWTPEHQA-CTNGQTDRSA-N 2 2 342.458 3.108 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000591473948 459389093 /nfs/dbraw/zinc/38/90/93/459389093.db2.gz NHLJDDOWTPEHQA-CTNGQTDRSA-N 2 2 342.458 3.108 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591866821 459457319 /nfs/dbraw/zinc/45/73/19/459457319.db2.gz GRPKSCDFRUWNME-IAGOWNOFSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591866821 459457322 /nfs/dbraw/zinc/45/73/22/459457322.db2.gz GRPKSCDFRUWNME-IAGOWNOFSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cnc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)c1 ZINC000582961432 459458784 /nfs/dbraw/zinc/45/87/84/459458784.db2.gz DUNIOGQWBLJQAY-UHFFFAOYSA-N 2 2 325.456 3.488 10 0 EGAELP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000582973494 459460976 /nfs/dbraw/zinc/46/09/76/459460976.db2.gz AWWZEJLFKUJKJI-INIZCTEOSA-N 2 2 329.488 3.341 10 0 EGAELP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000582973494 459460983 /nfs/dbraw/zinc/46/09/83/459460983.db2.gz AWWZEJLFKUJKJI-INIZCTEOSA-N 2 2 329.488 3.341 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)nc1C ZINC000543542183 459666594 /nfs/dbraw/zinc/66/65/94/459666594.db2.gz IMHVEQNZMCKJFF-KBPBESRZSA-N 2 2 339.505 3.153 10 0 EGAELP CCOC(=O)c1sc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)nc1C ZINC000543542183 459666600 /nfs/dbraw/zinc/66/66/00/459666600.db2.gz IMHVEQNZMCKJFF-KBPBESRZSA-N 2 2 339.505 3.153 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943709 459778504 /nfs/dbraw/zinc/77/85/04/459778504.db2.gz BMTVUGSHWQOADQ-OXQOHEQNSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000527943709 459778508 /nfs/dbraw/zinc/77/85/08/459778508.db2.gz BMTVUGSHWQOADQ-OXQOHEQNSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527979548 459786903 /nfs/dbraw/zinc/78/69/03/459786903.db2.gz KEZFHCJUALHOBS-KOLCDFICSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000527979548 459786908 /nfs/dbraw/zinc/78/69/08/459786908.db2.gz KEZFHCJUALHOBS-KOLCDFICSA-N 2 2 333.220 3.300 10 0 EGAELP COC(=O)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000597078662 459832430 /nfs/dbraw/zinc/83/24/30/459832430.db2.gz QCYXKVMASLMTGL-UHFFFAOYSA-N 2 2 333.819 3.113 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087601 459834873 /nfs/dbraw/zinc/83/48/73/459834873.db2.gz ISTGJVXHCHIOPL-PVAVHDDUSA-N 2 2 345.487 3.304 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087601 459834876 /nfs/dbraw/zinc/83/48/76/459834876.db2.gz ISTGJVXHCHIOPL-PVAVHDDUSA-N 2 2 345.487 3.304 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCn1cc[nH+]c1)CC3 ZINC000545899714 459868655 /nfs/dbraw/zinc/86/86/55/459868655.db2.gz AXJNCHQPDFJTRO-OAHLLOKOSA-N 2 2 338.455 3.300 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000545984859 459882368 /nfs/dbraw/zinc/88/23/68/459882368.db2.gz DZLWCZAWDSWIRJ-LJQANCHMSA-N 2 2 336.443 3.036 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000545984859 459882370 /nfs/dbraw/zinc/88/23/70/459882370.db2.gz DZLWCZAWDSWIRJ-LJQANCHMSA-N 2 2 336.443 3.036 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588688653 459968673 /nfs/dbraw/zinc/96/86/73/459968673.db2.gz UCXJBGFPVAZBJV-FXAWDEMLSA-N 2 2 342.483 3.229 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588688653 459968678 /nfs/dbraw/zinc/96/86/78/459968678.db2.gz UCXJBGFPVAZBJV-FXAWDEMLSA-N 2 2 342.483 3.229 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689455 459970396 /nfs/dbraw/zinc/97/03/96/459970396.db2.gz NITHEHPPRSHSIG-PBHICJAKSA-N 2 2 334.410 3.108 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689455 459970404 /nfs/dbraw/zinc/97/04/04/459970404.db2.gz NITHEHPPRSHSIG-PBHICJAKSA-N 2 2 334.410 3.108 10 0 EGAELP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2o1 ZINC000610213025 460083096 /nfs/dbraw/zinc/08/30/96/460083096.db2.gz AOAMFMUVZIREFM-MRXNPFEDSA-N 2 2 339.395 3.253 10 0 EGAELP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2o1 ZINC000610213025 460083102 /nfs/dbraw/zinc/08/31/02/460083102.db2.gz AOAMFMUVZIREFM-MRXNPFEDSA-N 2 2 339.395 3.253 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCSCc2ccccc2)CC1 ZINC000599664118 460302684 /nfs/dbraw/zinc/30/26/84/460302684.db2.gz NRTNKJVYMSPQNX-UHFFFAOYSA-N 2 2 348.556 3.497 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000626087847 460366262 /nfs/dbraw/zinc/36/62/62/460366262.db2.gz DOPYRLQXBQABCK-UHFFFAOYSA-N 2 2 339.483 3.312 10 0 EGAELP CCOC(=O)c1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000600150325 460408282 /nfs/dbraw/zinc/40/82/82/460408282.db2.gz XDTPCAANLQCDBQ-UHFFFAOYSA-N 2 2 347.503 3.393 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000628476180 460431302 /nfs/dbraw/zinc/43/13/02/460431302.db2.gz KGPBRLRUGDVEOF-LJQANCHMSA-N 2 2 330.516 3.442 10 0 EGAELP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000634732758 460498417 /nfs/dbraw/zinc/49/84/17/460498417.db2.gz OEEGQFDPTQOBRI-GFCCVEGCSA-N 2 2 327.266 3.023 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430307 460545483 /nfs/dbraw/zinc/54/54/83/460545483.db2.gz KNDPFVHALSFRCD-GDBMZVCRSA-N 2 2 349.906 3.298 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430307 460545489 /nfs/dbraw/zinc/54/54/89/460545489.db2.gz KNDPFVHALSFRCD-GDBMZVCRSA-N 2 2 349.906 3.298 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000629389626 460746748 /nfs/dbraw/zinc/74/67/48/460746748.db2.gz ZZFYLVQQGANLHY-NWDGAFQWSA-N 2 2 349.219 3.281 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C[NH2+]1 ZINC000629415413 460751735 /nfs/dbraw/zinc/75/17/35/460751735.db2.gz QBUALICLQUTVCB-WCQYABFASA-N 2 2 334.261 3.227 10 0 EGAELP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCCCO1 ZINC000623898089 460767616 /nfs/dbraw/zinc/76/76/16/460767616.db2.gz ZDKSAFREETXKPQ-NSHGMRRFSA-N 2 2 346.515 3.434 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537546 460799919 /nfs/dbraw/zinc/79/99/19/460799919.db2.gz HYCYWGFQCCLWJF-RSRIQPTJSA-N 3 2 327.516 3.160 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537546 460799923 /nfs/dbraw/zinc/79/99/23/460799923.db2.gz HYCYWGFQCCLWJF-RSRIQPTJSA-N 3 2 327.516 3.160 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629538489 460800814 /nfs/dbraw/zinc/80/08/14/460800814.db2.gz MIHUEGWZPCQLIL-VKJFTORMSA-N 2 2 332.492 3.351 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000629595055 460819746 /nfs/dbraw/zinc/81/97/46/460819746.db2.gz MCXHPYPKKVNITI-FCEUIQTBSA-N 2 2 349.478 3.298 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000629595055 460819753 /nfs/dbraw/zinc/81/97/53/460819753.db2.gz MCXHPYPKKVNITI-FCEUIQTBSA-N 2 2 349.478 3.298 10 0 EGAELP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189253 460901845 /nfs/dbraw/zinc/90/18/45/460901845.db2.gz BCNCKGSKLRRCOQ-MAUKXSAKSA-N 2 2 345.487 3.019 10 0 EGAELP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189253 460901852 /nfs/dbraw/zinc/90/18/52/460901852.db2.gz BCNCKGSKLRRCOQ-MAUKXSAKSA-N 2 2 345.487 3.019 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000608075692 460978306 /nfs/dbraw/zinc/97/83/06/460978306.db2.gz WJDSUXXPPDWAIN-KRWDZBQOSA-N 2 2 335.407 3.222 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022454 460998797 /nfs/dbraw/zinc/99/87/97/460998797.db2.gz HEOYOFBXDZSWFB-AEFFLSMTSA-N 2 2 344.434 3.019 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022454 460998803 /nfs/dbraw/zinc/99/88/03/460998803.db2.gz HEOYOFBXDZSWFB-AEFFLSMTSA-N 2 2 344.434 3.019 10 0 EGAELP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC000628214427 461052474 /nfs/dbraw/zinc/05/24/74/461052474.db2.gz XBVFTSDSHODLTL-AWEZNQCLSA-N 2 2 346.450 3.115 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC[C@]3(C)CCCS3)[nH+]c2)CC1 ZINC000628229388 461054293 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332.245 3.369 10 0 EGAELP COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667487494 462107047 /nfs/dbraw/zinc/10/70/47/462107047.db2.gz ZNXBIZCJEILQPR-QGZVFWFLSA-N 2 2 327.428 3.184 10 0 EGAELP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667487494 462107051 /nfs/dbraw/zinc/10/70/51/462107051.db2.gz ZNXBIZCJEILQPR-QGZVFWFLSA-N 2 2 327.428 3.184 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000657432606 462119680 /nfs/dbraw/zinc/11/96/80/462119680.db2.gz HYVQGOABGLQZGJ-VAMGGRTRSA-N 2 2 338.499 3.464 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000657432606 462119682 /nfs/dbraw/zinc/11/96/82/462119682.db2.gz HYVQGOABGLQZGJ-VAMGGRTRSA-N 2 2 338.499 3.464 10 0 EGAELP C[C@H](CC[NH2+]Cc1c(F)cncc1Br)[NH+]1CCCCC1 ZINC000657432956 462119892 /nfs/dbraw/zinc/11/98/92/462119892.db2.gz MPQFCMDQRCUYOK-GFCCVEGCSA-N 2 2 344.272 3.337 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657432604 462120051 /nfs/dbraw/zinc/12/00/51/462120051.db2.gz HYVQGOABGLQZGJ-SLFFLAALSA-N 2 2 338.499 3.464 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657432604 462120053 /nfs/dbraw/zinc/12/00/53/462120053.db2.gz HYVQGOABGLQZGJ-SLFFLAALSA-N 2 2 338.499 3.464 10 0 EGAELP c1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000667549644 462138086 /nfs/dbraw/zinc/13/80/86/462138086.db2.gz SANKHQNJHVTLTJ-NRFANRHFSA-N 2 2 348.450 3.449 10 0 EGAELP c1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000667549644 462138092 /nfs/dbraw/zinc/13/80/92/462138092.db2.gz SANKHQNJHVTLTJ-NRFANRHFSA-N 2 2 348.450 3.449 10 0 EGAELP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000664656497 462142432 /nfs/dbraw/zinc/14/24/32/462142432.db2.gz GYZRDNJUVDRQGL-OAHLLOKOSA-N 2 2 331.435 3.229 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000657526492 462166718 /nfs/dbraw/zinc/16/67/18/462166718.db2.gz IPMOXKMPJXCUJD-GOSISDBHSA-N 2 2 330.451 3.033 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000657526492 462166722 /nfs/dbraw/zinc/16/67/22/462166722.db2.gz IPMOXKMPJXCUJD-GOSISDBHSA-N 2 2 330.451 3.033 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526410 462167838 /nfs/dbraw/zinc/16/78/38/462167838.db2.gz GQIBNYPINCWTNB-LJQANCHMSA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526410 462167844 /nfs/dbraw/zinc/16/78/44/462167844.db2.gz GQIBNYPINCWTNB-LJQANCHMSA-N 2 2 326.488 3.452 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)[nH]c2c1 ZINC000667602729 462168466 /nfs/dbraw/zinc/16/84/66/462168466.db2.gz KEWRDHFBCXYIDX-HXUWFJFHSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)[nH]c2c1 ZINC000667602729 462168469 /nfs/dbraw/zinc/16/84/69/462168469.db2.gz KEWRDHFBCXYIDX-HXUWFJFHSA-N 2 2 340.515 3.078 10 0 EGAELP Nc1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c2c([nH+]1)CCCC2 ZINC000645106984 462181626 /nfs/dbraw/zinc/18/16/26/462181626.db2.gz JSRKXABQGYSQII-UHFFFAOYSA-N 2 2 348.454 3.028 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667708808 462225855 /nfs/dbraw/zinc/22/58/55/462225855.db2.gz LKROGRPOVBEDQJ-LPHOPBHVSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667708808 462225861 /nfs/dbraw/zinc/22/58/61/462225861.db2.gz LKROGRPOVBEDQJ-LPHOPBHVSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667708808 462225871 /nfs/dbraw/zinc/22/58/71/462225871.db2.gz LKROGRPOVBEDQJ-LPHOPBHVSA-N 2 2 328.504 3.136 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657836627 462289368 /nfs/dbraw/zinc/28/93/68/462289368.db2.gz WWLTXJHMUCEXPJ-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657836627 462289374 /nfs/dbraw/zinc/28/93/74/462289374.db2.gz WWLTXJHMUCEXPJ-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000667911533 462318050 /nfs/dbraw/zinc/31/80/50/462318050.db2.gz NCFIRGHYGHTIPW-HOJAQTOUSA-N 2 2 325.456 3.398 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncs2)cc1 ZINC000665255173 462371409 /nfs/dbraw/zinc/37/14/09/462371409.db2.gz KPBBETVRCFLOJF-COXVUDFISA-N 2 2 331.485 3.338 10 0 EGAELP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C12CCC2 ZINC000665256162 462371657 /nfs/dbraw/zinc/37/16/57/462371657.db2.gz QNQJXNUEFLLXNR-WTGUMLROSA-N 2 2 344.499 3.078 10 0 EGAELP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000665257304 462372938 /nfs/dbraw/zinc/37/29/38/462372938.db2.gz FVKVARWEVPESRL-CDHQVMDDSA-N 2 2 344.478 3.269 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000665256357 462373347 /nfs/dbraw/zinc/37/33/47/462373347.db2.gz XKNLRGITXXSZFF-ZCNNSNEGSA-N 2 2 337.467 3.203 10 0 EGAELP CC(C)[C@@H](O)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000658287472 462456970 /nfs/dbraw/zinc/45/69/70/462456970.db2.gz GVLFPUOHTRGQMX-NHCUHLMSSA-N 2 2 339.483 3.398 10 0 EGAELP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658296723 462462826 /nfs/dbraw/zinc/46/28/26/462462826.db2.gz VJRJBPPWZPNVOK-GOEBONIOSA-N 2 2 338.854 3.309 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658297050 462462983 /nfs/dbraw/zinc/46/29/83/462462983.db2.gz XWKMZEYYHLLZLA-GDVKCFTOSA-N 2 2 344.499 3.030 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221979 462477117 /nfs/dbraw/zinc/47/71/17/462477117.db2.gz BJFBLBCXBGXQAO-INIZCTEOSA-N 2 2 329.492 3.204 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221979 462477123 /nfs/dbraw/zinc/47/71/23/462477123.db2.gz BJFBLBCXBGXQAO-INIZCTEOSA-N 2 2 329.492 3.204 10 0 EGAELP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181900839 526350976 /nfs/dbraw/zinc/35/09/76/526350976.db2.gz UGUUTOREYNZJMV-INIZCTEOSA-N 2 2 333.476 3.327 10 0 EGAELP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181900839 526350978 /nfs/dbraw/zinc/35/09/78/526350978.db2.gz UGUUTOREYNZJMV-INIZCTEOSA-N 2 2 333.476 3.327 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360851 527835351 /nfs/dbraw/zinc/83/53/51/527835351.db2.gz ZEPHRXGESWLLSF-UZLBHIALSA-N 2 2 344.478 3.233 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360851 527835354 /nfs/dbraw/zinc/83/53/54/527835354.db2.gz ZEPHRXGESWLLSF-UZLBHIALSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360851 527835359 /nfs/dbraw/zinc/83/53/59/527835359.db2.gz ZEPHRXGESWLLSF-UZLBHIALSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000187360851 527835364 /nfs/dbraw/zinc/83/53/64/527835364.db2.gz ZEPHRXGESWLLSF-UZLBHIALSA-N 2 2 344.478 3.233 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174775595 529155826 /nfs/dbraw/zinc/15/58/26/529155826.db2.gz XDNACWLREIIMCI-FUHWJXTLSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174775595 529155829 /nfs/dbraw/zinc/15/58/29/529155829.db2.gz XDNACWLREIIMCI-FUHWJXTLSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174775595 529155830 /nfs/dbraw/zinc/15/58/30/529155830.db2.gz XDNACWLREIIMCI-FUHWJXTLSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174775595 529155832 /nfs/dbraw/zinc/15/58/32/529155832.db2.gz XDNACWLREIIMCI-FUHWJXTLSA-N 2 2 331.504 3.158 10 0 EGAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000177101033 547023154 /nfs/dbraw/zinc/02/31/54/547023154.db2.gz DJNWXSFCDBDXMA-CYBMUJFWSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000177101033 547023156 /nfs/dbraw/zinc/02/31/56/547023156.db2.gz DJNWXSFCDBDXMA-CYBMUJFWSA-N 2 2 338.224 3.449 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681336 547121993 /nfs/dbraw/zinc/12/19/93/547121993.db2.gz XEAFFUPYUJDSBY-ZIAGYGMSSA-N 2 2 330.432 3.072 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681336 547121999 /nfs/dbraw/zinc/12/19/99/547121999.db2.gz XEAFFUPYUJDSBY-ZIAGYGMSSA-N 2 2 330.432 3.072 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681321 547122205 /nfs/dbraw/zinc/12/22/05/547122205.db2.gz XEAFFUPYUJDSBY-UONOGXRCSA-N 2 2 330.432 3.072 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681321 547122210 /nfs/dbraw/zinc/12/22/10/547122210.db2.gz XEAFFUPYUJDSBY-UONOGXRCSA-N 2 2 330.432 3.072 10 0 EGAELP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000249840842 547315169 /nfs/dbraw/zinc/31/51/69/547315169.db2.gz NPEMQYPAWNRNEO-RDJZCZTQSA-N 2 2 331.435 3.374 10 0 EGAELP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000249840842 547315175 /nfs/dbraw/zinc/31/51/75/547315175.db2.gz NPEMQYPAWNRNEO-RDJZCZTQSA-N 2 2 331.435 3.374 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542566 547823562 /nfs/dbraw/zinc/82/35/62/547823562.db2.gz RMXMIUOQRVMBNL-YUXAGFNASA-N 3 2 339.527 3.113 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542566 547823567 /nfs/dbraw/zinc/82/35/67/547823567.db2.gz RMXMIUOQRVMBNL-YUXAGFNASA-N 3 2 339.527 3.113 10 0 EGAELP CC1(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000434763745 547900750 /nfs/dbraw/zinc/90/07/50/547900750.db2.gz GKDKWNLYGCSHBU-UHFFFAOYSA-N 2 2 329.532 3.364 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000672668941 548459817 /nfs/dbraw/zinc/45/98/17/548459817.db2.gz WZPNTWCBKZBMCI-KBXCAEBGSA-N 2 2 337.427 3.147 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000675919431 549005420 /nfs/dbraw/zinc/00/54/20/549005420.db2.gz IIXIDRFLDIOEMY-HXUWFJFHSA-N 3 2 338.499 3.168 10 0 EGAELP Cn1ccnc1C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000675919431 549005426 /nfs/dbraw/zinc/00/54/26/549005426.db2.gz IIXIDRFLDIOEMY-HXUWFJFHSA-N 2 2 338.499 3.168 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632812 549119806 /nfs/dbraw/zinc/11/98/06/549119806.db2.gz UHJSRGZPMZHUGJ-LEWJYISDSA-N 2 2 340.467 3.022 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632812 549119810 /nfs/dbraw/zinc/11/98/10/549119810.db2.gz UHJSRGZPMZHUGJ-LEWJYISDSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632812 549119813 /nfs/dbraw/zinc/11/98/13/549119813.db2.gz UHJSRGZPMZHUGJ-LEWJYISDSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632812 549119816 /nfs/dbraw/zinc/11/98/16/549119816.db2.gz UHJSRGZPMZHUGJ-LEWJYISDSA-N 2 2 340.467 3.022 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893043 549175113 /nfs/dbraw/zinc/17/51/13/549175113.db2.gz BHAJCARIKYRKHC-HOTGVXAUSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893043 549175114 /nfs/dbraw/zinc/17/51/14/549175114.db2.gz BHAJCARIKYRKHC-HOTGVXAUSA-N 2 2 344.421 3.071 10 0 EGAELP CC(=O)c1nc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH]c1C ZINC000677477857 549277923 /nfs/dbraw/zinc/27/79/23/549277923.db2.gz BNRLPYBSGPHAEP-GOSISDBHSA-N 2 2 346.519 3.051 10 0 EGAELP CC(=O)c1nc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH]c1C ZINC000677477857 549277925 /nfs/dbraw/zinc/27/79/25/549277925.db2.gz BNRLPYBSGPHAEP-GOSISDBHSA-N 2 2 346.519 3.051 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000678935711 549599108 /nfs/dbraw/zinc/59/91/08/549599108.db2.gz HWPKIVGBFILGSI-SFHVURJKSA-N 2 2 331.423 3.141 10 0 EGAELP CC(C)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccnn1C ZINC000682616201 550120705 /nfs/dbraw/zinc/12/07/05/550120705.db2.gz STJWFPHJWDOMHN-INIZCTEOSA-N 2 2 329.473 3.197 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000727932181 574704871 /nfs/dbraw/zinc/70/48/71/574704871.db2.gz XNSRVLPEENVUCU-QFIPXVFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000727932181 574704872 /nfs/dbraw/zinc/70/48/72/574704872.db2.gz XNSRVLPEENVUCU-QFIPXVFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000727932181 574704873 /nfs/dbraw/zinc/70/48/73/574704873.db2.gz XNSRVLPEENVUCU-QFIPXVFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000727932181 574704874 /nfs/dbraw/zinc/70/48/74/574704874.db2.gz XNSRVLPEENVUCU-QFIPXVFZSA-N 2 2 338.495 3.186 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686925 574766798 /nfs/dbraw/zinc/76/67/98/574766798.db2.gz XOOYTGLYNHLPLD-MRXNPFEDSA-N 2 2 338.927 3.470 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686925 574766799 /nfs/dbraw/zinc/76/67/99/574766799.db2.gz XOOYTGLYNHLPLD-MRXNPFEDSA-N 2 2 338.927 3.470 10 0 EGAELP O=c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2cc3c(cc2o1)CCC3 ZINC000729919827 574895845 /nfs/dbraw/zinc/89/58/45/574895845.db2.gz FOCMALJJCSMXNG-GOSISDBHSA-N 2 2 349.434 3.315 10 0 EGAELP O=c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2cc3c(cc2o1)CCC3 ZINC000729919827 574895847 /nfs/dbraw/zinc/89/58/47/574895847.db2.gz FOCMALJJCSMXNG-GOSISDBHSA-N 2 2 349.434 3.315 10 0 EGAELP Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000733324803 575327810 /nfs/dbraw/zinc/32/78/10/575327810.db2.gz YUXDCDJDJJKYNP-UHFFFAOYSA-N 2 2 331.847 3.195 10 0 EGAELP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000743261204 576804550 /nfs/dbraw/zinc/80/45/50/576804550.db2.gz PXCYUWOWSUHHHH-QGZVFWFLSA-N 2 2 331.847 3.027 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)c1Cl ZINC000067222917 1292154931 /nfs/dbraw/zinc/15/49/31/1292154931.db2.gz IFGQQVZKUZNVAN-OAHLLOKOSA-N 2 2 326.916 3.467 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](CCC)C2)c1Cl ZINC000067222917 1292154934 /nfs/dbraw/zinc/15/49/34/1292154934.db2.gz IFGQQVZKUZNVAN-OAHLLOKOSA-N 2 2 326.916 3.467 10 0 EGAELP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156331 1296777456 /nfs/dbraw/zinc/77/74/56/1296777456.db2.gz IDHIDNWCRQYRLA-RHSMWYFYSA-N 2 2 332.492 3.457 10 0 EGAELP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156331 1296777468 /nfs/dbraw/zinc/77/74/68/1296777468.db2.gz IDHIDNWCRQYRLA-RHSMWYFYSA-N 2 2 332.492 3.457 10 0 EGAELP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@H+](Cc2ccncc2F)C1 ZINC000575550943 1298000683 /nfs/dbraw/zinc/00/06/83/1298000683.db2.gz ZTYHMOHINCTEOU-QGZVFWFLSA-N 2 2 344.434 3.067 10 0 EGAELP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000575550943 1298000701 /nfs/dbraw/zinc/00/07/01/1298000701.db2.gz ZTYHMOHINCTEOU-QGZVFWFLSA-N 2 2 344.434 3.067 10 0 EGAELP Nc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000705888015 1298216834 /nfs/dbraw/zinc/21/68/34/1298216834.db2.gz NTNPSVNTELTTTQ-QZTJIDSGSA-N 2 2 341.886 3.486 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883347630 1302405878 /nfs/dbraw/zinc/40/58/78/1302405878.db2.gz WFLKUURTGMYDAX-AZUAARDMSA-N 2 2 341.499 3.485 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883347630 1302405881 /nfs/dbraw/zinc/40/58/81/1302405881.db2.gz WFLKUURTGMYDAX-AZUAARDMSA-N 2 2 341.499 3.485 10 0 EGAELP Fc1cccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886554899 1303499016 /nfs/dbraw/zinc/49/90/16/1303499016.db2.gz GKWFMDWCBWMBGU-BZSNNMDCSA-N 2 2 325.431 3.363 10 0 EGAELP Fc1cccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886554899 1303499022 /nfs/dbraw/zinc/49/90/22/1303499022.db2.gz GKWFMDWCBWMBGU-BZSNNMDCSA-N 2 2 325.431 3.363 10 0 EGAELP c1cn(C2CC2)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000894113808 1306225821 /nfs/dbraw/zinc/22/58/21/1306225821.db2.gz RFEYCTKIPXXGMQ-UHFFFAOYSA-N 2 2 325.460 3.130 10 0 EGAELP Cc1cc[nH+]c(N)c1CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000894116990 1306228680 /nfs/dbraw/zinc/22/86/80/1306228680.db2.gz IQALSJUNLCFLJC-HOTGVXAUSA-N 2 2 340.471 3.194 10 0 EGAELP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(C(=O)OC)s2)c1 ZINC000894191297 1306268782 /nfs/dbraw/zinc/26/87/82/1306268782.db2.gz IQVNYYYUIGAMFD-UHFFFAOYSA-N 2 2 347.484 3.061 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894777127 1309065762 /nfs/dbraw/zinc/06/57/62/1309065762.db2.gz NMGVOUFLAPUKQC-UHFFFAOYSA-N 2 2 335.473 3.422 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894777127 1309065772 /nfs/dbraw/zinc/06/57/72/1309065772.db2.gz NMGVOUFLAPUKQC-UHFFFAOYSA-N 2 2 335.473 3.422 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c[nH+]1 ZINC000895721700 1309489373 /nfs/dbraw/zinc/48/93/73/1309489373.db2.gz HHVLJZCGUXQMHM-UHFFFAOYSA-N 2 2 346.519 3.041 10 0 EGAELP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000930685119 1328937121 /nfs/dbraw/zinc/93/71/21/1328937121.db2.gz VYPJJICNKYOABT-DZGCQCFKSA-N 2 2 330.394 3.098 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)n(C)n2)cc1 ZINC000859235901 1328953035 /nfs/dbraw/zinc/95/30/35/1328953035.db2.gz PYXGBVADZJUZFM-GFCCVEGCSA-N 2 2 329.835 3.418 10 0 EGAELP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000921496322 1322329399 /nfs/dbraw/zinc/32/93/99/1322329399.db2.gz RYSDVPGXWJFZAX-UHFFFAOYSA-N 2 2 345.874 3.165 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747348 1322390857 /nfs/dbraw/zinc/39/08/57/1322390857.db2.gz NKZILUNPIUUHAK-NVXWUHKLSA-N 2 2 339.911 3.270 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747348 1322390860 /nfs/dbraw/zinc/39/08/60/1322390860.db2.gz NKZILUNPIUUHAK-NVXWUHKLSA-N 2 2 339.911 3.270 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3nc(C(C)(C)C)co3)[nH+]c2)C1 ZINC000921917903 1322423153 /nfs/dbraw/zinc/42/31/53/1322423153.db2.gz SEIZDJXALJERFI-OAHLLOKOSA-N 2 2 343.475 3.120 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000924607586 1323073055 /nfs/dbraw/zinc/07/30/55/1323073055.db2.gz SPCXDNRBJAWUKG-HNNXBMFYSA-N 2 2 327.476 3.053 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)n(C)n1 ZINC000924853099 1323188046 /nfs/dbraw/zinc/18/80/46/1323188046.db2.gz YCFCZQAGPIMPKT-CMKODMSKSA-N 2 2 332.536 3.150 10 0 EGAELP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285986 1329086212 /nfs/dbraw/zinc/08/62/12/1329086212.db2.gz QUECXGYVKHOLHT-QGZVFWFLSA-N 2 2 328.500 3.423 10 0 EGAELP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285986 1329086215 /nfs/dbraw/zinc/08/62/15/1329086215.db2.gz QUECXGYVKHOLHT-QGZVFWFLSA-N 2 2 328.500 3.423 10 0 EGAELP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925621894 1325234617 /nfs/dbraw/zinc/23/46/17/1325234617.db2.gz JVQOESKPPBFTJU-HNNXBMFYSA-N 2 2 328.378 3.140 10 0 EGAELP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925719510 1325269406 /nfs/dbraw/zinc/26/94/06/1325269406.db2.gz OINBNAOWPCXHOP-WOJBJXKFSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1nc(Br)cs1 ZINC000925840393 1325324357 /nfs/dbraw/zinc/32/43/57/1325324357.db2.gz VWWNLBUUXBUFOS-OPQQBVKSSA-N 2 2 330.295 3.088 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926484653 1325571571 /nfs/dbraw/zinc/57/15/71/1325571571.db2.gz DBKCSAIIZFVKRJ-HOTGVXAUSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926484653 1325571579 /nfs/dbraw/zinc/57/15/79/1325571579.db2.gz DBKCSAIIZFVKRJ-HOTGVXAUSA-N 2 2 327.394 3.249 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000926644881 1327649676 /nfs/dbraw/zinc/64/96/76/1327649676.db2.gz LPBANGMCSBHJLT-CYBMUJFWSA-N 2 2 328.298 3.473 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000926644881 1327649683 /nfs/dbraw/zinc/64/96/83/1327649683.db2.gz LPBANGMCSBHJLT-CYBMUJFWSA-N 2 2 328.298 3.473 10 0 EGAELP c1cn(C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c2ccccc2)c[nH+]1 ZINC000926866438 1327746537 /nfs/dbraw/zinc/74/65/37/1327746537.db2.gz WLYCSYDZQAPZBN-WTGUMLROSA-N 2 2 325.456 3.419 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)C[NH+](C)C ZINC000926960907 1327798640 /nfs/dbraw/zinc/79/86/40/1327798640.db2.gz HPZVRCPUIXPIJB-DOMZBBRYSA-N 2 2 329.282 3.066 10 0 EGAELP CCC1([NH+](C)C)CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000866061926 1330061066 /nfs/dbraw/zinc/06/10/66/1330061066.db2.gz YDAMUZRJZNKUPN-UHFFFAOYSA-N 2 2 339.487 3.399 10 0 EGAELP CCC1([NH+](C)C)CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000866061926 1330061068 /nfs/dbraw/zinc/06/10/68/1330061068.db2.gz YDAMUZRJZNKUPN-UHFFFAOYSA-N 2 2 339.487 3.399 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866237220 1330083174 /nfs/dbraw/zinc/08/31/74/1330083174.db2.gz IEEOCPMOLXPNCP-AZUAARDMSA-N 2 2 344.430 3.188 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412078 1330108412 /nfs/dbraw/zinc/10/84/12/1330108412.db2.gz CPGSZGXCWGHNKH-ZFWWWQNUSA-N 2 2 344.421 3.071 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412078 1330108414 /nfs/dbraw/zinc/10/84/14/1330108414.db2.gz CPGSZGXCWGHNKH-ZFWWWQNUSA-N 2 2 344.421 3.071 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358043 1387351354 /nfs/dbraw/zinc/35/13/54/1387351354.db2.gz QVHKAYHUUZJGKB-ROUUACIJSA-N 2 2 349.906 3.077 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358043 1387351358 /nfs/dbraw/zinc/35/13/58/1387351358.db2.gz QVHKAYHUUZJGKB-ROUUACIJSA-N 2 2 349.906 3.077 10 0 EGAELP CCCCCC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001324030798 1387514518 /nfs/dbraw/zinc/51/45/18/1387514518.db2.gz OMYBWARUEGPRGS-LJQANCHMSA-N 2 2 331.504 3.012 10 0 EGAELP C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001119540914 1371364466 /nfs/dbraw/zinc/36/44/66/1371364466.db2.gz LMRJCAYXMMYESK-IRXDYDNUSA-N 2 2 340.471 3.172 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]CCCC(C)C)ccn12 ZINC001266143111 1377204947 /nfs/dbraw/zinc/20/49/47/1377204947.db2.gz CHYHUBTVMHKQSU-OAHLLOKOSA-N 2 2 330.476 3.177 10 0 EGAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266744713 1377373133 /nfs/dbraw/zinc/37/31/33/1377373133.db2.gz UFVDXDACDIQBIX-UHFFFAOYSA-N 2 2 328.460 3.195 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001267207539 1377430385 /nfs/dbraw/zinc/43/03/85/1377430385.db2.gz GBQICOZBEYMUAM-JKSUJKDBSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001267207539 1377430386 /nfs/dbraw/zinc/43/03/86/1377430386.db2.gz GBQICOZBEYMUAM-JKSUJKDBSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001269085646 1377537890 /nfs/dbraw/zinc/53/78/90/1377537890.db2.gz WPYURAXGSYNQRT-QGZVFWFLSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001271598777 1377643367 /nfs/dbraw/zinc/64/33/67/1377643367.db2.gz CMYITEBKMUFEPD-QGZVFWFLSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001283905844 1379251822 /nfs/dbraw/zinc/25/18/22/1379251822.db2.gz LQBBDHNODYINMH-APWZRJJASA-N 2 2 338.455 3.031 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001284589291 1379990184 /nfs/dbraw/zinc/99/01/84/1379990184.db2.gz HMTDVSGSRUJDLN-JKSUJKDBSA-N 2 2 348.466 3.125 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284600049 1380001001 /nfs/dbraw/zinc/00/10/01/1380001001.db2.gz YIVVOFCWBLBVIW-INMHGKMJSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284600049 1380001007 /nfs/dbraw/zinc/00/10/07/1380001007.db2.gz YIVVOFCWBLBVIW-INMHGKMJSA-N 2 2 346.519 3.070 10 0 EGAELP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001308149750 1384101213 /nfs/dbraw/zinc/10/12/13/1384101213.db2.gz FSXDNOFYRLJTRP-UHFFFAOYSA-N 2 2 340.870 3.292 10 0 EGAELP C[C@@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001316775260 1384574041 /nfs/dbraw/zinc/57/40/41/1384574041.db2.gz ZJFNBZWMNWMJBE-HZPDHXFCSA-N 2 2 346.450 3.057 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001316789319 1384583110 /nfs/dbraw/zinc/58/31/10/1384583110.db2.gz OWJZCGLFEMOLOL-APWZRJJASA-N 2 2 340.471 3.255 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001316789319 1384583113 /nfs/dbraw/zinc/58/31/13/1384583113.db2.gz OWJZCGLFEMOLOL-APWZRJJASA-N 2 2 340.471 3.255 10 0 EGAELP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001316804364 1384593934 /nfs/dbraw/zinc/59/39/34/1384593934.db2.gz HXOGENRVTNXXBR-ROUUACIJSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001316804364 1384593936 /nfs/dbraw/zinc/59/39/36/1384593936.db2.gz HXOGENRVTNXXBR-ROUUACIJSA-N 2 2 334.508 3.193 10 0 EGAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001316835409 1384625619 /nfs/dbraw/zinc/62/56/19/1384625619.db2.gz OVMPENUJZQQFAO-FQEVSTJZSA-N 2 2 348.450 3.302 10 0 EGAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001316835409 1384625624 /nfs/dbraw/zinc/62/56/24/1384625624.db2.gz OVMPENUJZQQFAO-FQEVSTJZSA-N 2 2 348.450 3.302 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139219 1384905329 /nfs/dbraw/zinc/90/53/29/1384905329.db2.gz HSTNZCWATLRVKI-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139219 1384905330 /nfs/dbraw/zinc/90/53/30/1384905330.db2.gz HSTNZCWATLRVKI-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139219 1384905331 /nfs/dbraw/zinc/90/53/31/1384905331.db2.gz HSTNZCWATLRVKI-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139219 1384905332 /nfs/dbraw/zinc/90/53/32/1384905332.db2.gz HSTNZCWATLRVKI-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208410 1384983975 /nfs/dbraw/zinc/98/39/75/1384983975.db2.gz JFRTYCAAGCAPRF-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208410 1384983980 /nfs/dbraw/zinc/98/39/80/1384983980.db2.gz JFRTYCAAGCAPRF-ZWKOTPCHSA-N 2 2 348.535 3.006 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483682 1385715056 /nfs/dbraw/zinc/71/50/56/1385715056.db2.gz GWWHVPJRAQATDC-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483682 1385715058 /nfs/dbraw/zinc/71/50/58/1385715058.db2.gz GWWHVPJRAQATDC-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001318483682 1385715061 /nfs/dbraw/zinc/71/50/61/1385715061.db2.gz GWWHVPJRAQATDC-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318483682 1385715062 /nfs/dbraw/zinc/71/50/62/1385715062.db2.gz GWWHVPJRAQATDC-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318558835 1385756119 /nfs/dbraw/zinc/75/61/19/1385756119.db2.gz RHXGGFKMJLCIOW-ROUUACIJSA-N 2 2 342.487 3.136 10 0 EGAELP COc1ccnc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176989946 1385765425 /nfs/dbraw/zinc/76/54/25/1385765425.db2.gz BGDVMIQPZKXFQX-OAHLLOKOSA-N 2 2 328.460 3.421 10 0 EGAELP COc1ccnc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176989946 1385765428 /nfs/dbraw/zinc/76/54/28/1385765428.db2.gz BGDVMIQPZKXFQX-OAHLLOKOSA-N 2 2 328.460 3.421 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH2+]CCC(C)(C)C)ccn12 ZINC001319069922 1385951862 /nfs/dbraw/zinc/95/18/62/1385951862.db2.gz QPXDNINWGZUMJG-QGZVFWFLSA-N 2 2 342.487 3.273 10 0 EGAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319870707 1386348128 /nfs/dbraw/zinc/34/81/28/1386348128.db2.gz UALZUDWAQRCIHX-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccsc1 ZINC001319923060 1386394467 /nfs/dbraw/zinc/39/44/67/1386394467.db2.gz XBUMGCUZIQLOQD-QGZVFWFLSA-N 2 2 342.468 3.169 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001698684881 1406331657 /nfs/dbraw/zinc/33/16/57/1406331657.db2.gz WEIYAXJTQKZKBF-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)CC(C)C)c[nH+]1 ZINC001329473974 1389121906 /nfs/dbraw/zinc/12/19/06/1389121906.db2.gz GHRCDOWQFBIMDV-WBVHZDCISA-N 2 2 336.524 3.045 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C)c[nH+]1 ZINC001329473974 1389121911 /nfs/dbraw/zinc/12/19/11/1389121911.db2.gz GHRCDOWQFBIMDV-WBVHZDCISA-N 2 2 336.524 3.045 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001329560550 1389156121 /nfs/dbraw/zinc/15/61/21/1389156121.db2.gz OJWVRFUPBBEBHO-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001329560550 1389156122 /nfs/dbraw/zinc/15/61/22/1389156122.db2.gz OJWVRFUPBBEBHO-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001329824376 1389231664 /nfs/dbraw/zinc/23/16/64/1389231664.db2.gz GXSXLVMZTWDTLX-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001329824376 1389231670 /nfs/dbraw/zinc/23/16/70/1389231670.db2.gz GXSXLVMZTWDTLX-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001330022644 1389287669 /nfs/dbraw/zinc/28/76/69/1389287669.db2.gz SARIGTBIOASNPE-WMZOPIPTSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001330210863 1389342880 /nfs/dbraw/zinc/34/28/80/1389342880.db2.gz QSXDMUTVSHTQBN-ZWKOTPCHSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001330210863 1389342884 /nfs/dbraw/zinc/34/28/84/1389342884.db2.gz QSXDMUTVSHTQBN-ZWKOTPCHSA-N 2 2 346.519 3.097 10 0 EGAELP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331895896 1389901830 /nfs/dbraw/zinc/90/18/30/1389901830.db2.gz JBCUPSHMFPIGRR-DZGCQCFKSA-N 2 2 328.460 3.192 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC001332909162 1390214355 /nfs/dbraw/zinc/21/43/55/1390214355.db2.gz MZTMWIYKIDABGY-AEFFLSMTSA-N 2 2 342.487 3.073 10 0 EGAELP CC[NH+](CC)CC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001353307405 1391986597 /nfs/dbraw/zinc/98/65/97/1391986597.db2.gz SUNXAMVBNYTPBV-PKOBYXMFSA-N 2 2 342.487 3.424 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344691 1391993186 /nfs/dbraw/zinc/99/31/86/1391993186.db2.gz IBEILDLRKBCQRG-SJORKVTESA-N 2 2 346.519 3.219 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344691 1391993188 /nfs/dbraw/zinc/99/31/88/1391993188.db2.gz IBEILDLRKBCQRG-SJORKVTESA-N 2 2 346.519 3.219 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001479525109 1392268627 /nfs/dbraw/zinc/26/86/27/1392268627.db2.gz LVKSPMVOLVGALL-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479692115 1392323146 /nfs/dbraw/zinc/32/31/46/1392323146.db2.gz OJTTVVDEZHZHRD-CHYADLBTSA-N 2 2 332.492 3.059 10 0 EGAELP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H]1CCCO1 ZINC001479849441 1392430376 /nfs/dbraw/zinc/43/03/76/1392430376.db2.gz JPOGRQCUKJHNML-GOSISDBHSA-N 2 2 347.503 3.018 10 0 EGAELP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H]1CCCO1 ZINC001479849441 1392430378 /nfs/dbraw/zinc/43/03/78/1392430378.db2.gz JPOGRQCUKJHNML-GOSISDBHSA-N 2 2 347.503 3.018 10 0 EGAELP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001698914349 1406648406 /nfs/dbraw/zinc/64/84/06/1406648406.db2.gz MCTVNNBIAFVRPQ-SFHVURJKSA-N 2 2 342.487 3.417 10 0 EGAELP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001490419486 1394220957 /nfs/dbraw/zinc/22/09/57/1394220957.db2.gz CSWSYTYIEPPSIR-MRXNPFEDSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001490419486 1394220963 /nfs/dbraw/zinc/22/09/63/1394220963.db2.gz CSWSYTYIEPPSIR-MRXNPFEDSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490434792 1394230922 /nfs/dbraw/zinc/23/09/22/1394230922.db2.gz BNSHGPDKWUYVLL-KRWDZBQOSA-N 2 2 328.460 3.027 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490434792 1394230928 /nfs/dbraw/zinc/23/09/28/1394230928.db2.gz BNSHGPDKWUYVLL-KRWDZBQOSA-N 2 2 328.460 3.027 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481411853 1394271250 /nfs/dbraw/zinc/27/12/50/1394271250.db2.gz KRVSLAWEACRRLF-GOSISDBHSA-N 2 2 348.535 3.412 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481411853 1394271254 /nfs/dbraw/zinc/27/12/54/1394271254.db2.gz KRVSLAWEACRRLF-GOSISDBHSA-N 2 2 348.535 3.412 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490774540 1394337856 /nfs/dbraw/zinc/33/78/56/1394337856.db2.gz RZIIZWBFYOLJCE-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490774540 1394337859 /nfs/dbraw/zinc/33/78/59/1394337859.db2.gz RZIIZWBFYOLJCE-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481497928 1394343656 /nfs/dbraw/zinc/34/36/56/1394343656.db2.gz KXWBLQPHVQNCAG-AEFFLSMTSA-N 2 2 334.508 3.051 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481497928 1394343662 /nfs/dbraw/zinc/34/36/62/1394343662.db2.gz KXWBLQPHVQNCAG-AEFFLSMTSA-N 2 2 334.508 3.051 10 0 EGAELP CCC/C=C/CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481578692 1394412455 /nfs/dbraw/zinc/41/24/55/1394412455.db2.gz ZRRVQMHCUXJTAR-SGSXCFNPSA-N 2 2 347.547 3.330 10 0 EGAELP CCC/C=C/CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481578692 1394412461 /nfs/dbraw/zinc/41/24/61/1394412461.db2.gz ZRRVQMHCUXJTAR-SGSXCFNPSA-N 2 2 347.547 3.330 10 0 EGAELP CCCCC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001481959729 1394620261 /nfs/dbraw/zinc/62/02/61/1394620261.db2.gz AYWPULONEYMHNY-DNVCBOLYSA-N 2 2 334.508 3.106 10 0 EGAELP C[C@H]1CCCC[C@]1(C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001481963069 1394624362 /nfs/dbraw/zinc/62/43/62/1394624362.db2.gz SDIYOSXYACUFAM-MGPUTAFESA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001482490596 1395043429 /nfs/dbraw/zinc/04/34/29/1395043429.db2.gz CZBDMGRCYCFCRY-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170702 1395311605 /nfs/dbraw/zinc/31/16/05/1395311605.db2.gz WIKYRPXZASVBRD-YLJYHZDGSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170702 1395311613 /nfs/dbraw/zinc/31/16/13/1395311613.db2.gz WIKYRPXZASVBRD-YLJYHZDGSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001492172152 1396312164 /nfs/dbraw/zinc/31/21/64/1396312164.db2.gz VYHBUCRMSVOQNL-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172152 1396312165 /nfs/dbraw/zinc/31/21/65/1396312165.db2.gz VYHBUCRMSVOQNL-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001492172152 1396312166 /nfs/dbraw/zinc/31/21/66/1396312166.db2.gz VYHBUCRMSVOQNL-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172152 1396312167 /nfs/dbraw/zinc/31/21/67/1396312167.db2.gz VYHBUCRMSVOQNL-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001492172153 1396312203 /nfs/dbraw/zinc/31/22/03/1396312203.db2.gz VYHBUCRMSVOQNL-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172153 1396312204 /nfs/dbraw/zinc/31/22/04/1396312204.db2.gz VYHBUCRMSVOQNL-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001492172153 1396312205 /nfs/dbraw/zinc/31/22/05/1396312205.db2.gz VYHBUCRMSVOQNL-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172153 1396312206 /nfs/dbraw/zinc/31/22/06/1396312206.db2.gz VYHBUCRMSVOQNL-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)(C)CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001495964976 1396580337 /nfs/dbraw/zinc/58/03/37/1396580337.db2.gz ANMCCVQKXZDFFJ-UHFFFAOYSA-N 2 2 334.508 3.118 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001498494526 1397037561 /nfs/dbraw/zinc/03/75/61/1397037561.db2.gz AKEKTJMBNXNJRD-MSOLQXFVSA-N 2 2 346.519 3.187 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)Cc1ccccc1C(C)C ZINC001689881837 1404182377 /nfs/dbraw/zinc/18/23/77/1404182377.db2.gz DQZOKCGOQOFDTL-UHFFFAOYSA-N 2 2 342.487 3.022 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)Cc1ccccc1C(C)C ZINC001689881837 1404182379 /nfs/dbraw/zinc/18/23/79/1404182379.db2.gz DQZOKCGOQOFDTL-UHFFFAOYSA-N 2 2 342.487 3.022 10 0 EGAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC001689971636 1404235841 /nfs/dbraw/zinc/23/58/41/1404235841.db2.gz KRMXVUGIUKLNIJ-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC001689971636 1404235845 /nfs/dbraw/zinc/23/58/45/1404235845.db2.gz KRMXVUGIUKLNIJ-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190615 1404392802 /nfs/dbraw/zinc/39/28/02/1404392802.db2.gz ALQVPTQUVUUXIR-GDBMZVCRSA-N 2 2 346.450 3.095 10 0 EGAELP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190615 1404392807 /nfs/dbraw/zinc/39/28/07/1404392807.db2.gz ALQVPTQUVUUXIR-GDBMZVCRSA-N 2 2 346.450 3.095 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690194745 1404401370 /nfs/dbraw/zinc/40/13/70/1404401370.db2.gz NDHFPEKUTHEFMP-QZTJIDSGSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690194745 1404401372 /nfs/dbraw/zinc/40/13/72/1404401372.db2.gz NDHFPEKUTHEFMP-QZTJIDSGSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690194745 1404401373 /nfs/dbraw/zinc/40/13/73/1404401373.db2.gz NDHFPEKUTHEFMP-QZTJIDSGSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690194745 1404401377 /nfs/dbraw/zinc/40/13/77/1404401377.db2.gz NDHFPEKUTHEFMP-QZTJIDSGSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001690370277 1404500106 /nfs/dbraw/zinc/50/01/06/1404500106.db2.gz QFQCYTAHVZXRCP-ZSYWTGECSA-N 2 2 346.519 3.117 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383572 1404515956 /nfs/dbraw/zinc/51/59/56/1404515956.db2.gz RDIGCXKUXNSPOR-MJRGOJFPSA-N 2 2 346.519 3.111 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383572 1404515958 /nfs/dbraw/zinc/51/59/58/1404515958.db2.gz RDIGCXKUXNSPOR-MJRGOJFPSA-N 2 2 346.519 3.111 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001690774216 1404723048 /nfs/dbraw/zinc/72/30/48/1404723048.db2.gz FEMTUZNUSINKAL-SJORKVTESA-N 2 2 348.535 3.380 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001690824470 1404760346 /nfs/dbraw/zinc/76/03/46/1404760346.db2.gz DXWDVMOGGSPVLQ-RURPWVQCSA-N 2 2 346.519 3.022 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001690824470 1404760349 /nfs/dbraw/zinc/76/03/49/1404760349.db2.gz DXWDVMOGGSPVLQ-RURPWVQCSA-N 2 2 346.519 3.022 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)c[nH+]1 ZINC001691086837 1405021573 /nfs/dbraw/zinc/02/15/73/1405021573.db2.gz ZAGPQVUOIWZABS-SFHVURJKSA-N 2 2 346.519 3.088 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)c[nH+]1 ZINC001691086837 1405021579 /nfs/dbraw/zinc/02/15/79/1405021579.db2.gz ZAGPQVUOIWZABS-SFHVURJKSA-N 2 2 346.519 3.088 10 0 EGAELP CC(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691409994 1405247363 /nfs/dbraw/zinc/24/73/63/1405247363.db2.gz LOHJIQPSHGXNJK-GUDVDZBRSA-N 2 2 348.535 3.487 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691620811 1405361271 /nfs/dbraw/zinc/36/12/71/1405361271.db2.gz OIFLNXYVQALCEZ-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691620811 1405361275 /nfs/dbraw/zinc/36/12/75/1405361275.db2.gz OIFLNXYVQALCEZ-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691632109 1405369111 /nfs/dbraw/zinc/36/91/11/1405369111.db2.gz GDUCPKIOCREBQZ-MSOLQXFVSA-N 2 2 334.508 3.385 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001691794118 1405504838 /nfs/dbraw/zinc/50/48/38/1405504838.db2.gz QCELHDXLUSJAJL-APWZRJJASA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001691794118 1405504843 /nfs/dbraw/zinc/50/48/43/1405504843.db2.gz QCELHDXLUSJAJL-APWZRJJASA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001691794118 1405504845 /nfs/dbraw/zinc/50/48/45/1405504845.db2.gz QCELHDXLUSJAJL-APWZRJJASA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001691794118 1405504847 /nfs/dbraw/zinc/50/48/47/1405504847.db2.gz QCELHDXLUSJAJL-APWZRJJASA-N 2 2 348.535 3.337 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001691800143 1405513115 /nfs/dbraw/zinc/51/31/15/1405513115.db2.gz NVZJYBOGHDVRQJ-QAQDUYKDSA-N 2 2 335.467 3.245 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001692124103 1405785351 /nfs/dbraw/zinc/78/53/51/1405785351.db2.gz JLGCUCJIVTYBLB-GOSISDBHSA-N 2 2 348.535 3.294 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282440 1405917623 /nfs/dbraw/zinc/91/76/23/1405917623.db2.gz AJMAMIHXPNXDII-HPFMTEOYSA-N 2 2 346.519 3.236 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282440 1405917626 /nfs/dbraw/zinc/91/76/26/1405917626.db2.gz AJMAMIHXPNXDII-HPFMTEOYSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692334549 1405954759 /nfs/dbraw/zinc/95/47/59/1405954759.db2.gz VLZGRFYSRXYUTD-MRXNPFEDSA-N 2 2 332.492 3.014 10 0 EGAELP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001732308745 1428523038 /nfs/dbraw/zinc/52/30/38/1428523038.db2.gz RGHBSRFOXUWGBV-KZNAEPCWSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001732427936 1428576895 /nfs/dbraw/zinc/57/68/95/1428576895.db2.gz CMDAMPVQHSYQGH-CGZBRXJRSA-N 2 2 342.487 3.211 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001699444592 1412777773 /nfs/dbraw/zinc/77/77/73/1412777773.db2.gz XLAXZSLPAFHVKH-CQSZACIVSA-N 2 2 342.487 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001699444592 1412777774 /nfs/dbraw/zinc/77/77/74/1412777774.db2.gz XLAXZSLPAFHVKH-CQSZACIVSA-N 2 2 342.487 3.129 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699482584 1412877375 /nfs/dbraw/zinc/87/73/75/1412877375.db2.gz RITNDYNZQICTPM-IAGOWNOFSA-N 2 2 340.471 3.179 10 0 EGAELP C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C[NH2+]CCC1CC1 ZINC001732541883 1428691773 /nfs/dbraw/zinc/69/17/73/1428691773.db2.gz WTWRVVPVBXDEAH-LIRRHRJNSA-N 2 2 340.471 3.193 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001699672650 1413063148 /nfs/dbraw/zinc/06/31/48/1413063148.db2.gz CBCLFJJOUUCEND-IEBWSBKVSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001699672650 1413063153 /nfs/dbraw/zinc/06/31/53/1413063153.db2.gz CBCLFJJOUUCEND-IEBWSBKVSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001700332970 1413813236 /nfs/dbraw/zinc/81/32/36/1413813236.db2.gz BXJNSMQARCHVLW-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001700332970 1413813241 /nfs/dbraw/zinc/81/32/41/1413813241.db2.gz BXJNSMQARCHVLW-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700352733 1413846988 /nfs/dbraw/zinc/84/69/88/1413846988.db2.gz FNVRNOFDFVCURB-GOSISDBHSA-N 2 2 340.471 3.145 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700352733 1413846994 /nfs/dbraw/zinc/84/69/94/1413846994.db2.gz FNVRNOFDFVCURB-GOSISDBHSA-N 2 2 340.471 3.145 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700762864 1414436441 /nfs/dbraw/zinc/43/64/41/1414436441.db2.gz PKPFTSDKWLUGBT-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001700976056 1414610955 /nfs/dbraw/zinc/61/09/55/1414610955.db2.gz ZBCJFFKRLWYAAC-LXPRWKDFSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001700976056 1414610960 /nfs/dbraw/zinc/61/09/60/1414610960.db2.gz ZBCJFFKRLWYAAC-LXPRWKDFSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700987354 1414630376 /nfs/dbraw/zinc/63/03/76/1414630376.db2.gz RMSIGCZBWMGVBR-GOSISDBHSA-N 2 2 342.487 3.487 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C)n1cc[nH+]c1 ZINC001700992940 1414638935 /nfs/dbraw/zinc/63/89/35/1414638935.db2.gz NUTJUSVJPSIGRU-AEFFLSMTSA-N 2 2 342.487 3.155 10 0 EGAELP CCN(CC[NH2+]CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732782183 1428966849 /nfs/dbraw/zinc/96/68/49/1428966849.db2.gz HNCNZNGVSUUYGA-UHFFFAOYSA-N 2 2 326.444 3.115 10 0 EGAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001732906806 1429040741 /nfs/dbraw/zinc/04/07/41/1429040741.db2.gz KXFXWTPAXVEONL-TUYSUELWSA-N 2 2 332.492 3.067 10 0 EGAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001707054344 1417168912 /nfs/dbraw/zinc/16/89/12/1417168912.db2.gz OWFYSQTYRGFVMB-AEFFLSMTSA-N 2 2 349.544 3.045 10 0 EGAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001707054344 1417168916 /nfs/dbraw/zinc/16/89/16/1417168916.db2.gz OWFYSQTYRGFVMB-AEFFLSMTSA-N 2 2 349.544 3.045 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001707083993 1417191572 /nfs/dbraw/zinc/19/15/72/1417191572.db2.gz XKWRFDSYHKCGFS-SAABIXHNSA-N 2 2 342.487 3.321 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001707237922 1417258338 /nfs/dbraw/zinc/25/83/38/1417258338.db2.gz JUUXAKYVTRSTLG-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001707237922 1417258340 /nfs/dbraw/zinc/25/83/40/1417258340.db2.gz JUUXAKYVTRSTLG-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713134855 1417713676 /nfs/dbraw/zinc/71/36/76/1417713676.db2.gz WFNMDISOTSHNJT-IEBWSBKVSA-N 2 2 348.535 3.441 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713134855 1417713679 /nfs/dbraw/zinc/71/36/79/1417713679.db2.gz WFNMDISOTSHNJT-IEBWSBKVSA-N 2 2 348.535 3.441 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)C)CC[C@H]21 ZINC001713184853 1417760196 /nfs/dbraw/zinc/76/01/96/1417760196.db2.gz RRMVZUBUHQEZEH-PKOBYXMFSA-N 2 2 346.519 3.010 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)C)CC[C@H]21 ZINC001713184853 1417760198 /nfs/dbraw/zinc/76/01/98/1417760198.db2.gz RRMVZUBUHQEZEH-PKOBYXMFSA-N 2 2 346.519 3.010 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001713438616 1418070877 /nfs/dbraw/zinc/07/08/77/1418070877.db2.gz GJNDDDFPCHETKO-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001713438616 1418070880 /nfs/dbraw/zinc/07/08/80/1418070880.db2.gz GJNDDDFPCHETKO-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001713457190 1418110032 /nfs/dbraw/zinc/11/00/32/1418110032.db2.gz QVCMKJMXOKQTQV-IBGZPJMESA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001713457190 1418110035 /nfs/dbraw/zinc/11/00/35/1418110035.db2.gz QVCMKJMXOKQTQV-IBGZPJMESA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001713457247 1418110341 /nfs/dbraw/zinc/11/03/41/1418110341.db2.gz SLXBQWKQZMRDSB-MJGOQNOKSA-N 2 2 342.487 3.280 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001713457247 1418110351 /nfs/dbraw/zinc/11/03/51/1418110351.db2.gz SLXBQWKQZMRDSB-MJGOQNOKSA-N 2 2 342.487 3.280 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC001713617106 1418395774 /nfs/dbraw/zinc/39/57/74/1418395774.db2.gz SBCFAEJGEKREFW-KURKYZTESA-N 2 2 329.488 3.105 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001713722381 1418497572 /nfs/dbraw/zinc/49/75/72/1418497572.db2.gz LJLMLIYMKQRJPQ-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001713722381 1418497573 /nfs/dbraw/zinc/49/75/73/1418497573.db2.gz LJLMLIYMKQRJPQ-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713751848 1418554153 /nfs/dbraw/zinc/55/41/53/1418554153.db2.gz DVHZVLDHNBDFRC-SFHVURJKSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713751848 1418554156 /nfs/dbraw/zinc/55/41/56/1418554156.db2.gz DVHZVLDHNBDFRC-SFHVURJKSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713751848 1418554158 /nfs/dbraw/zinc/55/41/58/1418554158.db2.gz DVHZVLDHNBDFRC-SFHVURJKSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713751848 1418554161 /nfs/dbraw/zinc/55/41/61/1418554161.db2.gz DVHZVLDHNBDFRC-SFHVURJKSA-N 2 2 344.503 3.013 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001714118191 1418922658 /nfs/dbraw/zinc/92/26/58/1418922658.db2.gz MNOHKDCQTLSIFH-SFHVURJKSA-N 2 2 346.519 3.202 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001714118191 1418922660 /nfs/dbraw/zinc/92/26/60/1418922660.db2.gz MNOHKDCQTLSIFH-SFHVURJKSA-N 2 2 346.519 3.202 10 0 EGAELP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001714274025 1419054738 /nfs/dbraw/zinc/05/47/38/1419054738.db2.gz CKABAWSVNMQJAV-MRXNPFEDSA-N 2 2 342.487 3.212 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001714367773 1419127424 /nfs/dbraw/zinc/12/74/24/1419127424.db2.gz SMLYSRPASKULCP-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[C@H]2CC[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001714865443 1419592223 /nfs/dbraw/zinc/59/22/23/1419592223.db2.gz KPOJQBYWGMUNPS-KRWDZBQOSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001714865443 1419592224 /nfs/dbraw/zinc/59/22/24/1419592224.db2.gz KPOJQBYWGMUNPS-KRWDZBQOSA-N 2 2 348.535 3.191 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001715092856 1419833358 /nfs/dbraw/zinc/83/33/58/1419833358.db2.gz CLPLVNYNAKTNAC-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001715093765 1419834505 /nfs/dbraw/zinc/83/45/05/1419834505.db2.gz IRRIFEAMRCZLRD-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP C[C@H](CC(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1)n1cc[nH+]c1 ZINC001715122781 1419868751 /nfs/dbraw/zinc/86/87/51/1419868751.db2.gz ZQVTZOUBVJFKBT-DNVCBOLYSA-N 2 2 334.508 3.145 10 0 EGAELP C[C@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715136292 1419885359 /nfs/dbraw/zinc/88/53/59/1419885359.db2.gz CDHIVSXDVOIBGO-OXJNMPFZSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]C/C=C\c1ccccc1 ZINC001715241381 1419970757 /nfs/dbraw/zinc/97/07/57/1419970757.db2.gz ZLKDHHSPJGZMPL-SBSDFTTDSA-N 2 2 348.450 3.232 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715319015 1420027273 /nfs/dbraw/zinc/02/72/73/1420027273.db2.gz FGCSYHNQLMHNDG-RDJZCZTQSA-N 2 2 348.535 3.340 10 0 EGAELP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001715418188 1420111768 /nfs/dbraw/zinc/11/17/68/1420111768.db2.gz SCUCNQKFQOMDLF-VQIMIIECSA-N 2 2 340.471 3.113 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001716049850 1420513873 /nfs/dbraw/zinc/51/38/73/1420513873.db2.gz ORCSLJQILDPPHI-HNAYVOBHSA-N 2 2 340.471 3.290 10 0 EGAELP CCCCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001716049850 1420513876 /nfs/dbraw/zinc/51/38/76/1420513876.db2.gz ORCSLJQILDPPHI-HNAYVOBHSA-N 2 2 340.471 3.290 10 0 EGAELP C[C@H](C[N@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497421 1420722413 /nfs/dbraw/zinc/72/24/13/1420722413.db2.gz LPVBWEKVDQEBDD-CABCVRRESA-N 2 2 348.878 3.124 10 0 EGAELP C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497421 1420722415 /nfs/dbraw/zinc/72/24/15/1420722415.db2.gz LPVBWEKVDQEBDD-CABCVRRESA-N 2 2 348.878 3.124 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001716520366 1420749087 /nfs/dbraw/zinc/74/90/87/1420749087.db2.gz LCHDGTWJRPPEKS-SJORKVTESA-N 2 2 348.535 3.352 10 0 EGAELP CC(C)[C@H](C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001716753753 1420904747 /nfs/dbraw/zinc/90/47/47/1420904747.db2.gz PMQHCNPFTUROFC-YLJYHZDGSA-N 2 2 343.515 3.011 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716975931 1421059118 /nfs/dbraw/zinc/05/91/18/1421059118.db2.gz UYZHMFHZPMWKOV-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001717312203 1421257285 /nfs/dbraw/zinc/25/72/85/1421257285.db2.gz QYDXFFNBKPULEC-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001717312203 1421257286 /nfs/dbraw/zinc/25/72/86/1421257286.db2.gz QYDXFFNBKPULEC-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312498 1421257398 /nfs/dbraw/zinc/25/73/98/1421257398.db2.gz VKTITMPYLLJWLL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717312498 1421257399 /nfs/dbraw/zinc/25/73/99/1421257399.db2.gz VKTITMPYLLJWLL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001717448383 1421378503 /nfs/dbraw/zinc/37/85/03/1421378503.db2.gz HXBLKNHYOTVRIR-QQFBHYJXSA-N 2 2 334.508 3.093 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001717537247 1421475158 /nfs/dbraw/zinc/47/51/58/1421475158.db2.gz APMBJKOUBVFGEV-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001717537247 1421475160 /nfs/dbraw/zinc/47/51/60/1421475160.db2.gz APMBJKOUBVFGEV-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001717897987 1421695560 /nfs/dbraw/zinc/69/55/60/1421695560.db2.gz NEDGECLVJPMYKR-KRWDZBQOSA-N 2 2 342.487 3.211 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001717962679 1421734051 /nfs/dbraw/zinc/73/40/51/1421734051.db2.gz KLLFPPXWKLILMC-SJORKVTESA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733432814 1429640368 /nfs/dbraw/zinc/64/03/68/1429640368.db2.gz TXIQJWLBYDWHKX-UYAOXDASSA-N 2 2 348.535 3.345 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001722956489 1424277977 /nfs/dbraw/zinc/27/79/77/1424277977.db2.gz JTRCUGQDRSFIOA-MOPGFXCFSA-N 2 2 346.519 3.118 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001722958451 1424279959 /nfs/dbraw/zinc/27/99/59/1424279959.db2.gz XDRSIHNUPMADEU-RTBURBONSA-N 2 2 346.519 3.118 10 0 EGAELP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001723647091 1424510060 /nfs/dbraw/zinc/51/00/60/1424510060.db2.gz FJSCDQSKFWTJOP-IBGZPJMESA-N 2 2 346.519 3.193 10 0 EGAELP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001723647091 1424510063 /nfs/dbraw/zinc/51/00/63/1424510063.db2.gz FJSCDQSKFWTJOP-IBGZPJMESA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)n1cc[nH+]c1 ZINC001723698444 1424536003 /nfs/dbraw/zinc/53/60/03/1424536003.db2.gz OOGPFFAUQDFBRP-SFHVURJKSA-N 2 2 346.519 3.193 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001723950910 1424610941 /nfs/dbraw/zinc/61/09/41/1424610941.db2.gz HHAYBJNVIVWLMD-VQIMIIECSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001723950910 1424610943 /nfs/dbraw/zinc/61/09/43/1424610943.db2.gz HHAYBJNVIVWLMD-VQIMIIECSA-N 2 2 344.503 3.059 10 0 EGAELP CCCCC[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001724886922 1425271919 /nfs/dbraw/zinc/27/19/19/1425271919.db2.gz MINGBRRLAOJPPT-UHFFFAOYSA-N 2 2 342.487 3.499 10 0 EGAELP CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001724890492 1425276869 /nfs/dbraw/zinc/27/68/69/1425276869.db2.gz BVKOPFXEALRJFM-UHFFFAOYSA-N 2 2 348.535 3.448 10 0 EGAELP CC1(C)C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001724980660 1425383092 /nfs/dbraw/zinc/38/30/92/1425383092.db2.gz YKEOLVAKHSJJAK-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001724980660 1425383094 /nfs/dbraw/zinc/38/30/94/1425383094.db2.gz YKEOLVAKHSJJAK-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001731426805 1427407937 /nfs/dbraw/zinc/40/79/37/1427407937.db2.gz IUYJIXWWRCOOIS-CEXWTWQISA-N 2 2 346.519 3.336 10 0 EGAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001731426805 1427407939 /nfs/dbraw/zinc/40/79/39/1427407939.db2.gz IUYJIXWWRCOOIS-CEXWTWQISA-N 2 2 346.519 3.336 10 0 EGAELP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001731570516 1427611630 /nfs/dbraw/zinc/61/16/30/1427611630.db2.gz WKDOXQRCRBGCED-NNGSBXSVSA-N 2 2 342.487 3.319 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716725 1427781767 /nfs/dbraw/zinc/78/17/67/1427781767.db2.gz ZGRHVBLOWASKIQ-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716725 1427781770 /nfs/dbraw/zinc/78/17/70/1427781770.db2.gz ZGRHVBLOWASKIQ-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854763 1428087114 /nfs/dbraw/zinc/08/71/14/1428087114.db2.gz KHMPUDSPUIZJHP-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001731854763 1428087117 /nfs/dbraw/zinc/08/71/17/1428087117.db2.gz KHMPUDSPUIZJHP-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001733685075 1429900933 /nfs/dbraw/zinc/90/09/33/1429900933.db2.gz UELXCHUFXAWCEJ-SJORKVTESA-N 2 2 342.487 3.457 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@@H+](CCCC(C)C)CC2(C)C)c[nH+]1 ZINC001734147966 1437915666 /nfs/dbraw/zinc/91/56/66/1437915666.db2.gz MMMAKWFILNHVGX-KRWDZBQOSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@H+](CCCC(C)C)CC2(C)C)c[nH+]1 ZINC001734147966 1437915668 /nfs/dbraw/zinc/91/56/68/1437915668.db2.gz MMMAKWFILNHVGX-KRWDZBQOSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001734244298 1437957713 /nfs/dbraw/zinc/95/77/13/1437957713.db2.gz DLMFFAUXYPNYOW-ZDUSSCGKSA-N 2 2 346.500 3.152 10 0 EGAELP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001734256301 1437971647 /nfs/dbraw/zinc/97/16/47/1437971647.db2.gz HGFCJOCINCPGJD-KBPBESRZSA-N 2 2 348.878 3.241 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCC(C)C)[C@H]3C)ccn12 ZINC001734392050 1438079351 /nfs/dbraw/zinc/07/93/51/1438079351.db2.gz OWXIMYCPVPTTMQ-AEFFLSMTSA-N 2 2 342.487 3.272 10 0 EGAELP CCC[N@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001734551145 1438148519 /nfs/dbraw/zinc/14/85/19/1438148519.db2.gz BSURGUZQYYMZAZ-UHFFFAOYSA-N 2 2 328.460 3.065 10 0 EGAELP CCC[N@@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001734551145 1438148521 /nfs/dbraw/zinc/14/85/21/1438148521.db2.gz BSURGUZQYYMZAZ-UHFFFAOYSA-N 2 2 328.460 3.065 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001734577727 1438170318 /nfs/dbraw/zinc/17/03/18/1438170318.db2.gz MXZAKGKDKYZOOR-HZPDHXFCSA-N 2 2 348.535 3.160 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001734614601 1438187458 /nfs/dbraw/zinc/18/74/58/1438187458.db2.gz WJYQXDKNLJLZIY-WWXOQWLVSA-N 2 2 344.503 3.086 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001734614601 1438187459 /nfs/dbraw/zinc/18/74/59/1438187459.db2.gz WJYQXDKNLJLZIY-WWXOQWLVSA-N 2 2 344.503 3.086 10 0 EGAELP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1OCc1ccccc1 ZINC000368101912 168311370 /nfs/dbraw/zinc/31/13/70/168311370.db2.gz WFUUMQQGCJOSNR-LZQZEXGQSA-N 2 2 325.456 3.241 10 0 EGAELP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1OCc1ccccc1 ZINC000368101912 168311372 /nfs/dbraw/zinc/31/13/72/168311372.db2.gz WFUUMQQGCJOSNR-LZQZEXGQSA-N 2 2 325.456 3.241 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916109 213173226 /nfs/dbraw/zinc/17/32/26/213173226.db2.gz ORIDCOAQZJLVPY-RISCZKNCSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916109 213173227 /nfs/dbraw/zinc/17/32/27/213173227.db2.gz ORIDCOAQZJLVPY-RISCZKNCSA-N 2 2 329.307 3.475 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000132758880 223360233 /nfs/dbraw/zinc/36/02/33/223360233.db2.gz ZDIAUQPUVSBVEE-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000132758880 223360235 /nfs/dbraw/zinc/36/02/35/223360235.db2.gz ZDIAUQPUVSBVEE-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095463 217361784 /nfs/dbraw/zinc/36/17/84/217361784.db2.gz HXTAYRCDDFYERX-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095463 217361788 /nfs/dbraw/zinc/36/17/88/217361788.db2.gz HXTAYRCDDFYERX-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095463 217361789 /nfs/dbraw/zinc/36/17/89/217361789.db2.gz HXTAYRCDDFYERX-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095463 217361794 /nfs/dbraw/zinc/36/17/94/217361794.db2.gz HXTAYRCDDFYERX-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](CC)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000264189094 246160307 /nfs/dbraw/zinc/16/03/07/246160307.db2.gz BNYRGYJUYMHCHH-GOSISDBHSA-N 2 2 340.471 3.199 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643768 218239334 /nfs/dbraw/zinc/23/93/34/218239334.db2.gz HVFHSCKMMACLAR-DZGCQCFKSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643768 218239336 /nfs/dbraw/zinc/23/93/36/218239336.db2.gz HVFHSCKMMACLAR-DZGCQCFKSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643768 218239338 /nfs/dbraw/zinc/23/93/38/218239338.db2.gz HVFHSCKMMACLAR-DZGCQCFKSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(SC)cc1OC ZINC000093643768 218239340 /nfs/dbraw/zinc/23/93/40/218239340.db2.gz HVFHSCKMMACLAR-DZGCQCFKSA-N 2 2 338.517 3.340 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863448 141039632 /nfs/dbraw/zinc/03/96/32/141039632.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863448 141039633 /nfs/dbraw/zinc/03/96/33/141039633.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863448 141039634 /nfs/dbraw/zinc/03/96/34/141039634.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863448 141039635 /nfs/dbraw/zinc/03/96/35/141039635.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 3 2 336.483 3.321 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903588 141042060 /nfs/dbraw/zinc/04/20/60/141042060.db2.gz ROMSYJASGGFIBG-IFXJQAMLSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903588 141042061 /nfs/dbraw/zinc/04/20/61/141042061.db2.gz ROMSYJASGGFIBG-IFXJQAMLSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903588 141042062 /nfs/dbraw/zinc/04/20/62/141042062.db2.gz ROMSYJASGGFIBG-IFXJQAMLSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903588 141042063 /nfs/dbraw/zinc/04/20/63/141042063.db2.gz ROMSYJASGGFIBG-IFXJQAMLSA-N 2 2 346.446 3.141 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)[nH+]1 ZINC000171081745 144001083 /nfs/dbraw/zinc/00/10/83/144001083.db2.gz MJATVQMLDPMRMZ-CQSZACIVSA-N 2 2 327.457 3.033 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)[nH+]1 ZINC000171081745 144001084 /nfs/dbraw/zinc/00/10/84/144001084.db2.gz MJATVQMLDPMRMZ-CQSZACIVSA-N 2 2 327.457 3.033 10 0 EGAELP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172788190 144028362 /nfs/dbraw/zinc/02/83/62/144028362.db2.gz PKLNCSBEUGQQNJ-MRXNPFEDSA-N 2 2 325.460 3.015 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172788190 144028364 /nfs/dbraw/zinc/02/83/64/144028364.db2.gz PKLNCSBEUGQQNJ-MRXNPFEDSA-N 2 2 325.460 3.015 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630012 144073476 /nfs/dbraw/zinc/07/34/76/144073476.db2.gz QPIJTIIRWAIRKJ-STQMWFEESA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630012 144073477 /nfs/dbraw/zinc/07/34/77/144073477.db2.gz QPIJTIIRWAIRKJ-STQMWFEESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630012 144073478 /nfs/dbraw/zinc/07/34/78/144073478.db2.gz QPIJTIIRWAIRKJ-STQMWFEESA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@@H]21 ZINC000178630012 144073479 /nfs/dbraw/zinc/07/34/79/144073479.db2.gz QPIJTIIRWAIRKJ-STQMWFEESA-N 2 2 329.307 3.427 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000187019746 153007091 /nfs/dbraw/zinc/00/70/91/153007091.db2.gz HLCRDZFVRHOVLW-ZBFHGGJFSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000187019746 153007094 /nfs/dbraw/zinc/00/70/94/153007094.db2.gz HLCRDZFVRHOVLW-ZBFHGGJFSA-N 2 2 349.450 3.194 10 0 EGAELP COCc1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000337412173 154340219 /nfs/dbraw/zinc/34/02/19/154340219.db2.gz XNUCWHXORAOXDK-AWEZNQCLSA-N 2 2 346.500 3.202 10 0 EGAELP COCc1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000337412173 154340222 /nfs/dbraw/zinc/34/02/22/154340222.db2.gz XNUCWHXORAOXDK-AWEZNQCLSA-N 2 2 346.500 3.202 10 0 EGAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492099 154379231 /nfs/dbraw/zinc/37/92/31/154379231.db2.gz OPDFEAGAEZHYST-WBVHZDCISA-N 2 2 333.476 3.131 10 0 EGAELP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492099 154379233 /nfs/dbraw/zinc/37/92/33/154379233.db2.gz OPDFEAGAEZHYST-WBVHZDCISA-N 2 2 333.476 3.131 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000248436602 163005375 /nfs/dbraw/zinc/00/53/75/163005375.db2.gz SDTKGBQJUPHXEB-IXDOHACOSA-N 2 2 340.471 3.312 10 0 EGAELP C[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000248558901 163013951 /nfs/dbraw/zinc/01/39/51/163013951.db2.gz LYTMVXKNGDJNDN-QFBILLFUSA-N 2 2 330.451 3.037 10 0 EGAELP C[C@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000248558901 163013953 /nfs/dbraw/zinc/01/39/53/163013953.db2.gz LYTMVXKNGDJNDN-QFBILLFUSA-N 2 2 330.451 3.037 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000248607012 163019765 /nfs/dbraw/zinc/01/97/65/163019765.db2.gz DAJPNXSQHSOIDI-GOEBONIOSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000248607012 163019767 /nfs/dbraw/zinc/01/97/67/163019767.db2.gz DAJPNXSQHSOIDI-GOEBONIOSA-N 2 2 339.468 3.485 10 0 EGAELP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248634266 163024260 /nfs/dbraw/zinc/02/42/60/163024260.db2.gz UNKYYKPOVQGPDD-LPHOPBHVSA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248634266 163024262 /nfs/dbraw/zinc/02/42/62/163024262.db2.gz UNKYYKPOVQGPDD-LPHOPBHVSA-N 2 2 339.439 3.038 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C[C@H]3CC=CCC3)c2cc1C ZINC000344029819 164086473 /nfs/dbraw/zinc/08/64/73/164086473.db2.gz AYQCAGSTPKFWAF-ROUUACIJSA-N 2 2 327.472 3.302 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C[C@H]3CC=CCC3)c2cc1C ZINC000344029819 164086477 /nfs/dbraw/zinc/08/64/77/164086477.db2.gz AYQCAGSTPKFWAF-ROUUACIJSA-N 2 2 327.472 3.302 10 0 EGAELP CCc1ccc([C@H](COC)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000344236126 164133172 /nfs/dbraw/zinc/13/31/72/164133172.db2.gz VWVMLWNOCZIQOZ-SFHVURJKSA-N 2 2 340.427 3.208 10 0 EGAELP C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346553861 164395843 /nfs/dbraw/zinc/39/58/43/164395843.db2.gz WBVKYYXXQDPGMW-GYCJOSAFSA-N 2 2 339.464 3.331 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433606 167327164 /nfs/dbraw/zinc/32/71/64/167327164.db2.gz MEXFRRLGBCZCMO-GUXCAODWSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433606 167327167 /nfs/dbraw/zinc/32/71/67/167327167.db2.gz MEXFRRLGBCZCMO-GUXCAODWSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@@H+]1C ZINC000123780212 222331734 /nfs/dbraw/zinc/33/17/34/222331734.db2.gz GJVDYUAFDIMKJK-FXAWDEMLSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[N@H+]1C ZINC000123780212 222331736 /nfs/dbraw/zinc/33/17/36/222331736.db2.gz GJVDYUAFDIMKJK-FXAWDEMLSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780212 222331739 /nfs/dbraw/zinc/33/17/39/222331739.db2.gz GJVDYUAFDIMKJK-FXAWDEMLSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC[NH+]1C ZINC000123780212 222331743 /nfs/dbraw/zinc/33/17/43/222331743.db2.gz GJVDYUAFDIMKJK-FXAWDEMLSA-N 2 2 343.515 3.227 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000124047549 222368762 /nfs/dbraw/zinc/36/87/62/222368762.db2.gz LIWRPAWRBDSQGJ-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000124047549 222368765 /nfs/dbraw/zinc/36/87/65/222368765.db2.gz LIWRPAWRBDSQGJ-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047549 222368768 /nfs/dbraw/zinc/36/87/68/222368768.db2.gz LIWRPAWRBDSQGJ-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047549 222368770 /nfs/dbraw/zinc/36/87/70/222368770.db2.gz LIWRPAWRBDSQGJ-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H](CCSc1ccccc1)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000153437250 264795423 /nfs/dbraw/zinc/79/54/23/264795423.db2.gz MBOJWOKMFVGGKR-QGZVFWFLSA-N 2 2 344.528 3.109 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000274700891 267273931 /nfs/dbraw/zinc/27/39/31/267273931.db2.gz XVKYJTYUSZJNTF-NZSAHSFTSA-N 2 2 328.456 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000274700891 267273933 /nfs/dbraw/zinc/27/39/33/267273933.db2.gz XVKYJTYUSZJNTF-NZSAHSFTSA-N 2 2 328.456 3.203 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000093299510 273775050 /nfs/dbraw/zinc/77/50/50/273775050.db2.gz WDRHFTVQTSRALZ-UHFFFAOYSA-N 2 2 342.487 3.150 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353633118 275371941 /nfs/dbraw/zinc/37/19/41/275371941.db2.gz WJSPZKICRWOSHP-JSGCOSHPSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353633118 275371942 /nfs/dbraw/zinc/37/19/42/275371942.db2.gz WJSPZKICRWOSHP-JSGCOSHPSA-N 2 2 332.245 3.307 10 0 EGAELP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H]1C ZINC000280398617 275446428 /nfs/dbraw/zinc/44/64/28/275446428.db2.gz VLEWNBGOMHJRAS-PMPSAXMXSA-N 2 2 343.471 3.073 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352116723 276275345 /nfs/dbraw/zinc/27/53/45/276275345.db2.gz ZIRXXWDWBLUBSJ-HKUYNNGSSA-N 2 2 332.488 3.391 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352116723 276275346 /nfs/dbraw/zinc/27/53/46/276275346.db2.gz ZIRXXWDWBLUBSJ-HKUYNNGSSA-N 2 2 332.488 3.391 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767499 276399558 /nfs/dbraw/zinc/39/95/58/276399558.db2.gz LQIYBTRXEQSZEH-HIFRSBDPSA-N 2 2 349.548 3.385 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767499 276399559 /nfs/dbraw/zinc/39/95/59/276399559.db2.gz LQIYBTRXEQSZEH-HIFRSBDPSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767499 276399560 /nfs/dbraw/zinc/39/95/60/276399560.db2.gz LQIYBTRXEQSZEH-HIFRSBDPSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@H](C)C1 ZINC000353767499 276399561 /nfs/dbraw/zinc/39/95/61/276399561.db2.gz LQIYBTRXEQSZEH-HIFRSBDPSA-N 2 2 349.548 3.385 10 0 EGAELP Oc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(C(F)(F)F)c1 ZINC000290346749 276483202 /nfs/dbraw/zinc/48/32/02/276483202.db2.gz FDPVDPIUXDOGJX-UHFFFAOYSA-N 2 2 325.334 3.445 10 0 EGAELP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000338981102 293201897 /nfs/dbraw/zinc/20/18/97/293201897.db2.gz KLBKOHYWRCMDAK-HXUWFJFHSA-N 2 2 344.547 3.115 10 0 EGAELP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000338981102 293201900 /nfs/dbraw/zinc/20/19/00/293201900.db2.gz KLBKOHYWRCMDAK-HXUWFJFHSA-N 2 2 344.547 3.115 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000294619880 308238707 /nfs/dbraw/zinc/23/87/07/308238707.db2.gz OQBMXNABNGWPGW-FOIQADDNSA-N 2 2 339.414 3.266 10 0 EGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853978 308264534 /nfs/dbraw/zinc/26/45/34/308264534.db2.gz BJZOPGWFPQEVSZ-CJNGLKHVSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853978 308264535 /nfs/dbraw/zinc/26/45/35/308264535.db2.gz BJZOPGWFPQEVSZ-CJNGLKHVSA-N 2 2 347.846 3.406 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872002 308369581 /nfs/dbraw/zinc/36/95/81/308369581.db2.gz GGOWZQSDIQEKJP-XCDJFROHSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872002 308369583 /nfs/dbraw/zinc/36/95/83/308369583.db2.gz GGOWZQSDIQEKJP-XCDJFROHSA-N 3 2 327.516 3.112 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295872002 308369585 /nfs/dbraw/zinc/36/95/85/308369585.db2.gz GGOWZQSDIQEKJP-XCDJFROHSA-N 3 2 327.516 3.112 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000296001694 308383565 /nfs/dbraw/zinc/38/35/65/308383565.db2.gz MWFHZCABJYDPES-UHFFFAOYSA-N 2 2 332.473 3.408 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414834168 309104662 /nfs/dbraw/zinc/10/46/62/309104662.db2.gz QIDXEAXEUDMVRE-SUMWQHHRSA-N 2 2 331.847 3.347 10 0 EGAELP CCc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000302115047 308729709 /nfs/dbraw/zinc/72/97/09/308729709.db2.gz VRFHKLLEZSBNKJ-AWEZNQCLSA-N 2 2 328.435 3.370 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OCC(F)(F)F ZINC000414921234 309109415 /nfs/dbraw/zinc/10/94/15/309109415.db2.gz DHKSEUNDYOIMKN-OCCSQVGLSA-N 2 2 346.393 3.114 10 0 EGAELP Brc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415036199 309115755 /nfs/dbraw/zinc/11/57/55/309115755.db2.gz FMSOLFBWYMZABV-OLZOCXBDSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415036199 309115756 /nfs/dbraw/zinc/11/57/56/309115756.db2.gz FMSOLFBWYMZABV-OLZOCXBDSA-N 2 2 329.307 3.475 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000415073082 309118295 /nfs/dbraw/zinc/11/82/95/309118295.db2.gz ZANYAZLROYDKFR-FQEVSTJZSA-N 2 2 334.467 3.439 10 0 EGAELP COc1ccc([C@@H](C[NH2+]C[C@@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085385 309119281 /nfs/dbraw/zinc/11/92/81/309119281.db2.gz QCGYZQSDIJTLMT-AZUAARDMSA-N 2 2 333.520 3.185 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000419258461 309262437 /nfs/dbraw/zinc/26/24/37/309262437.db2.gz BFAOPIJZELWHEH-MRXNPFEDSA-N 2 2 329.488 3.237 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285122 309263054 /nfs/dbraw/zinc/26/30/54/309263054.db2.gz DDZJKEYEXVQWMM-OAHLLOKOSA-N 2 2 345.487 3.019 10 0 EGAELP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000420319352 309281769 /nfs/dbraw/zinc/28/17/69/309281769.db2.gz PHJAGKYNHDEDLG-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000420319352 309281770 /nfs/dbraw/zinc/28/17/70/309281770.db2.gz PHJAGKYNHDEDLG-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000420371672 309284761 /nfs/dbraw/zinc/28/47/61/309284761.db2.gz KWMZYBLYAKTXNE-AZUAARDMSA-N 2 2 332.488 3.019 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000420371672 309284762 /nfs/dbraw/zinc/28/47/62/309284762.db2.gz KWMZYBLYAKTXNE-AZUAARDMSA-N 2 2 332.488 3.019 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383892 309285426 /nfs/dbraw/zinc/28/54/26/309285426.db2.gz SXBXDXBDUIYEHJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383892 309285427 /nfs/dbraw/zinc/28/54/27/309285427.db2.gz SXBXDXBDUIYEHJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000421351474 309319700 /nfs/dbraw/zinc/31/97/00/309319700.db2.gz ZPXWHKHAXPUWLO-PBHICJAKSA-N 2 2 346.906 3.382 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421351474 309319701 /nfs/dbraw/zinc/31/97/01/309319701.db2.gz ZPXWHKHAXPUWLO-PBHICJAKSA-N 2 2 346.906 3.382 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421826165 309341802 /nfs/dbraw/zinc/34/18/02/309341802.db2.gz RFCAFOPOYGQBFE-ZFWWWQNUSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421826165 309341803 /nfs/dbraw/zinc/34/18/03/309341803.db2.gz RFCAFOPOYGQBFE-ZFWWWQNUSA-N 2 2 326.868 3.110 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000422010921 309350867 /nfs/dbraw/zinc/35/08/67/309350867.db2.gz CHBNMSSYYQTBCY-IBGZPJMESA-N 2 2 349.563 3.221 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000422010921 309350868 /nfs/dbraw/zinc/35/08/68/309350868.db2.gz CHBNMSSYYQTBCY-IBGZPJMESA-N 2 2 349.563 3.221 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422795678 309368807 /nfs/dbraw/zinc/36/88/07/309368807.db2.gz WBJMBLNRRXNBSK-AWEZNQCLSA-N 2 2 335.455 3.207 10 0 EGAELP Clc1ccc(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422824850 309370418 /nfs/dbraw/zinc/37/04/18/309370418.db2.gz ORPROYJDYHXYEQ-IAGOWNOFSA-N 2 2 343.298 3.283 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000422933297 309376767 /nfs/dbraw/zinc/37/67/67/309376767.db2.gz DHEGPJDKQVTSOF-OXQOHEQNSA-N 2 2 334.467 3.172 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000422933295 309376867 /nfs/dbraw/zinc/37/68/67/309376867.db2.gz DHEGPJDKQVTSOF-JXFKEZNVSA-N 2 2 334.467 3.172 10 0 EGAELP CCC(CC)(C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(=O)OC ZINC000423036753 309382149 /nfs/dbraw/zinc/38/21/49/309382149.db2.gz LLDALJMTTKQHDG-ZWKOTPCHSA-N 2 2 348.487 3.057 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423081979 309384953 /nfs/dbraw/zinc/38/49/53/309384953.db2.gz DQZBHAOXYHJQHA-MOPGFXCFSA-N 2 2 344.499 3.021 10 0 EGAELP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423187209 309389801 /nfs/dbraw/zinc/38/98/01/309389801.db2.gz XLXPKOSYOKDIAX-ZDUSSCGKSA-N 2 2 333.867 3.233 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1nccc2ccccc21 ZINC000423223769 309391299 /nfs/dbraw/zinc/39/12/99/309391299.db2.gz ANBYNEUEBFMEKB-HNNXBMFYSA-N 2 2 333.439 3.213 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC(F)F ZINC000423229174 309391371 /nfs/dbraw/zinc/39/13/71/309391371.db2.gz GQCBCVBFXCMMNI-ZDUSSCGKSA-N 2 2 348.397 3.266 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423506756 309403622 /nfs/dbraw/zinc/40/36/22/309403622.db2.gz PJBGEAYFAIHDKY-MGPUTAFESA-N 2 2 335.455 3.180 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423573185 309406613 /nfs/dbraw/zinc/40/66/13/309406613.db2.gz ZDJXQGCYFOHIAU-HZMBPMFUSA-N 2 2 327.241 3.307 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000424150184 309430978 /nfs/dbraw/zinc/43/09/78/309430978.db2.gz YHUOURVDBJAMFC-UHFFFAOYSA-N 2 2 328.460 3.033 10 0 EGAELP CCCCNC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441384938 309870487 /nfs/dbraw/zinc/87/04/87/309870487.db2.gz RECUWVHFJMIKHZ-PKOBYXMFSA-N 2 2 342.487 3.136 10 0 EGAELP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc2ccccc21 ZINC000449239281 310046888 /nfs/dbraw/zinc/04/68/88/310046888.db2.gz VFFNKHZBAIQVHR-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395958 310058616 /nfs/dbraw/zinc/05/86/16/310058616.db2.gz KJVJFTOCXUBIBZ-WMLDXEAASA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395958 310058617 /nfs/dbraw/zinc/05/86/17/310058617.db2.gz KJVJFTOCXUBIBZ-WMLDXEAASA-N 2 2 344.421 3.073 10 0 EGAELP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000449495664 310066966 /nfs/dbraw/zinc/06/69/66/310066966.db2.gz OWBHAXSUUGZANZ-FXAWDEMLSA-N 2 2 331.504 3.087 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428024 310178056 /nfs/dbraw/zinc/17/80/56/310178056.db2.gz KDEZERIHOJSMKY-SFHVURJKSA-N 2 2 337.414 3.217 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428024 310178057 /nfs/dbraw/zinc/17/80/57/310178057.db2.gz KDEZERIHOJSMKY-SFHVURJKSA-N 2 2 337.414 3.217 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058480 310254879 /nfs/dbraw/zinc/25/48/79/310254879.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058480 310254880 /nfs/dbraw/zinc/25/48/80/310254880.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058480 310254881 /nfs/dbraw/zinc/25/48/81/310254881.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058480 310254882 /nfs/dbraw/zinc/25/48/82/310254882.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058480 310254883 /nfs/dbraw/zinc/25/48/83/310254883.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058480 310254884 /nfs/dbraw/zinc/25/48/84/310254884.db2.gz KUHPVZLJSWTTHL-BEFAXECRSA-N 2 2 345.466 3.277 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000453256001 310267034 /nfs/dbraw/zinc/26/70/34/310267034.db2.gz FZIGHNZSIGDNRV-GDBMZVCRSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000453256001 310267035 /nfs/dbraw/zinc/26/70/35/310267035.db2.gz FZIGHNZSIGDNRV-GDBMZVCRSA-N 2 2 340.920 3.313 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)(F)F ZINC000453259772 310267397 /nfs/dbraw/zinc/26/73/97/310267397.db2.gz IMBSMXLBFDROOC-UONOGXRCSA-N 2 2 346.393 3.083 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2=CCC(C)(C)CC2)([NH+]2CCCCC2)CC1 ZINC000455775419 310376620 /nfs/dbraw/zinc/37/66/20/310376620.db2.gz BOJUBRILMRUBHP-UHFFFAOYSA-N 2 2 347.547 3.189 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000488435259 311065373 /nfs/dbraw/zinc/06/53/73/311065373.db2.gz PJLTUVPQGBEYHN-SFHVURJKSA-N 2 2 336.451 3.094 10 0 EGAELP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c(C)c1 ZINC000490145308 311134260 /nfs/dbraw/zinc/13/42/60/311134260.db2.gz SSGOJKSRGFUPIR-RBBKRZOGSA-N 2 2 338.495 3.439 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291247 312181900 /nfs/dbraw/zinc/18/19/00/312181900.db2.gz GMAAQPQCDVSAOB-TZIWHRDSSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291247 312181903 /nfs/dbraw/zinc/18/19/03/312181903.db2.gz GMAAQPQCDVSAOB-TZIWHRDSSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291247 312181905 /nfs/dbraw/zinc/18/19/05/312181905.db2.gz GMAAQPQCDVSAOB-TZIWHRDSSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291247 312181906 /nfs/dbraw/zinc/18/19/06/312181906.db2.gz GMAAQPQCDVSAOB-TZIWHRDSSA-N 2 2 344.499 3.172 10 0 EGAELP COc1cccc([C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC)c1 ZINC000527739867 312929161 /nfs/dbraw/zinc/92/91/61/312929161.db2.gz UPGZFYSKEZVSBA-SFHVURJKSA-N 2 2 343.452 3.420 10 0 EGAELP CC(C)COc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000529664556 313381027 /nfs/dbraw/zinc/38/10/27/313381027.db2.gz QVPANMWTZOMWPB-UHFFFAOYSA-N 2 2 346.515 3.408 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000535368704 314043400 /nfs/dbraw/zinc/04/34/00/314043400.db2.gz CCLDDSDZUXVNJV-UHFFFAOYSA-N 2 2 331.847 3.244 10 0 EGAELP COc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000535851020 314080314 /nfs/dbraw/zinc/08/03/14/314080314.db2.gz AIGSCOPROLRPQV-HDMKZQKVSA-N 2 2 341.455 3.298 10 0 EGAELP COc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000535851020 314080317 /nfs/dbraw/zinc/08/03/17/314080317.db2.gz AIGSCOPROLRPQV-HDMKZQKVSA-N 2 2 341.455 3.298 10 0 EGAELP COC(=O)CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000544608827 314706383 /nfs/dbraw/zinc/70/63/83/314706383.db2.gz DPSLQQDOALFYQP-UHFFFAOYSA-N 2 2 333.457 3.289 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000554586547 315335962 /nfs/dbraw/zinc/33/59/62/315335962.db2.gz KQJDPOPYLOLVIS-WMLDXEAASA-N 2 2 336.395 3.346 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000554586547 315335966 /nfs/dbraw/zinc/33/59/66/315335966.db2.gz KQJDPOPYLOLVIS-WMLDXEAASA-N 2 2 336.395 3.346 10 0 EGAELP Cc1cc[nH+]c(NCCC[NH2+]Cc2cccnc2)c1Br ZINC000235932235 456154232 /nfs/dbraw/zinc/15/42/32/456154232.db2.gz AHGWKVVNSRCTKC-UHFFFAOYSA-N 2 2 335.249 3.139 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000171930428 323260994 /nfs/dbraw/zinc/26/09/94/323260994.db2.gz XLMOXJMQKPPNOZ-HKUYNNGSSA-N 2 2 341.455 3.387 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000171930428 323260997 /nfs/dbraw/zinc/26/09/97/323260997.db2.gz XLMOXJMQKPPNOZ-HKUYNNGSSA-N 2 2 341.455 3.387 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000389282295 324278976 /nfs/dbraw/zinc/27/89/76/324278976.db2.gz UXBNPBBXUZPNPT-BXUZGUMPSA-N 2 2 344.240 3.036 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000389282295 324278980 /nfs/dbraw/zinc/27/89/80/324278980.db2.gz UXBNPBBXUZPNPT-BXUZGUMPSA-N 2 2 344.240 3.036 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CCOC(C)C)c(C)c1 ZINC000579463544 325113930 /nfs/dbraw/zinc/11/39/30/325113930.db2.gz YNBGWHLLFAPCIK-QUCCMNQESA-N 2 2 345.487 3.007 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000581607859 325375869 /nfs/dbraw/zinc/37/58/69/325375869.db2.gz ZOGHYWNFIDTJKF-QGZVFWFLSA-N 2 2 326.831 3.046 10 0 EGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655773 455219634 /nfs/dbraw/zinc/21/96/34/455219634.db2.gz XOKQFKJBWMRSGA-JTDSTZFVSA-N 2 2 340.471 3.218 10 0 EGAELP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000181021083 455277231 /nfs/dbraw/zinc/27/72/31/455277231.db2.gz IXHMZAUCLPBYLA-UHFFFAOYSA-N 3 2 328.504 3.358 10 0 EGAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000623470861 460567158 /nfs/dbraw/zinc/56/71/58/460567158.db2.gz GDFWBHVGMOJLNS-IBGZPJMESA-N 2 2 332.875 3.409 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1OCCCO2 ZINC000631888341 460589334 /nfs/dbraw/zinc/58/93/34/460589334.db2.gz YCCWRLUWSCVKPY-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1OCCCO2 ZINC000631888341 460589340 /nfs/dbraw/zinc/58/93/40/460589340.db2.gz YCCWRLUWSCVKPY-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245681937 455353877 /nfs/dbraw/zinc/35/38/77/455353877.db2.gz PGIBWJBHCBCLTK-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245681937 455353880 /nfs/dbraw/zinc/35/38/80/455353880.db2.gz PGIBWJBHCBCLTK-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000631890939 460590875 /nfs/dbraw/zinc/59/08/75/460590875.db2.gz WNSPPZYPOKDANR-QAPCUYQASA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000631890939 460590879 /nfs/dbraw/zinc/59/08/79/460590879.db2.gz WNSPPZYPOKDANR-QAPCUYQASA-N 2 2 343.496 3.393 10 0 EGAELP CCOc1cc2c(c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)c1)O[C@H](C)C2 ZINC000084805164 454011101 /nfs/dbraw/zinc/01/11/01/454011101.db2.gz NZFLLFZBBVHSMK-CABCVRRESA-N 2 2 341.455 3.272 10 0 EGAELP COc1cc[nH+]c(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1OC ZINC000071746830 454211584 /nfs/dbraw/zinc/21/15/84/454211584.db2.gz VSWUTYCKOUXECQ-SFHVURJKSA-N 2 2 347.503 3.041 10 0 EGAELP COc1cc[nH+]c(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c1OC ZINC000071746830 454211593 /nfs/dbraw/zinc/21/15/93/454211593.db2.gz VSWUTYCKOUXECQ-SFHVURJKSA-N 2 2 347.503 3.041 10 0 EGAELP CCOc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000090578300 454322925 /nfs/dbraw/zinc/32/29/25/454322925.db2.gz ZQSXKJDHLBIWCE-UHFFFAOYSA-N 2 2 339.483 3.277 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182119612 455439343 /nfs/dbraw/zinc/43/93/43/455439343.db2.gz GEBIHVWGXSURTG-KSSFIOAISA-N 2 2 330.863 3.130 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182119612 455439346 /nfs/dbraw/zinc/43/93/46/455439346.db2.gz GEBIHVWGXSURTG-KSSFIOAISA-N 2 2 330.863 3.130 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1COc2ccccc21 ZINC000090845497 454344087 /nfs/dbraw/zinc/34/40/87/454344087.db2.gz BMEBSWUFGYDMRN-UZLBHIALSA-N 2 2 337.467 3.200 10 0 EGAELP C[N@H+](Cc1ccc2ccccc2n1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063881915 454457767 /nfs/dbraw/zinc/45/77/67/454457767.db2.gz NCFXXNCPQFGEFD-NHCUHLMSSA-N 2 2 339.483 3.046 10 0 EGAELP C[N@@H+](Cc1ccc2ccccc2n1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063881915 454457771 /nfs/dbraw/zinc/45/77/71/454457771.db2.gz NCFXXNCPQFGEFD-NHCUHLMSSA-N 2 2 339.483 3.046 10 0 EGAELP C[NH+](Cc1ccc2ccccc2n1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063881915 454457774 /nfs/dbraw/zinc/45/77/74/454457774.db2.gz NCFXXNCPQFGEFD-NHCUHLMSSA-N 2 2 339.483 3.046 10 0 EGAELP C[NH+](Cc1ccc2ccccc2n1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063881915 454457778 /nfs/dbraw/zinc/45/77/78/454457778.db2.gz NCFXXNCPQFGEFD-NHCUHLMSSA-N 2 2 339.483 3.046 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121898068 454491093 /nfs/dbraw/zinc/49/10/93/454491093.db2.gz DNSCSHXEUHXVQH-OAHLLOKOSA-N 2 2 341.377 3.159 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CCO1 ZINC000092079249 454519349 /nfs/dbraw/zinc/51/93/49/454519349.db2.gz FQEBRZCRARIBJF-MRXNPFEDSA-N 2 2 344.499 3.085 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CCO1 ZINC000092079249 454519353 /nfs/dbraw/zinc/51/93/53/454519353.db2.gz FQEBRZCRARIBJF-MRXNPFEDSA-N 2 2 344.499 3.085 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000122856266 454575532 /nfs/dbraw/zinc/57/55/32/454575532.db2.gz CUQNIICPNGCDSZ-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000122856266 454575536 /nfs/dbraw/zinc/57/55/36/454575536.db2.gz CUQNIICPNGCDSZ-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC3 ZINC000123453009 454638440 /nfs/dbraw/zinc/63/84/40/454638440.db2.gz PUDQIMBLEMFZFQ-ZSDSOXJFSA-N 2 2 341.499 3.352 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)CC3 ZINC000123453009 454638446 /nfs/dbraw/zinc/63/84/46/454638446.db2.gz PUDQIMBLEMFZFQ-ZSDSOXJFSA-N 2 2 341.499 3.352 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000123640426 454660907 /nfs/dbraw/zinc/66/09/07/454660907.db2.gz GTVAHYAUNUDHGI-LJQANCHMSA-N 2 2 349.482 3.120 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000123640426 454660912 /nfs/dbraw/zinc/66/09/12/454660912.db2.gz GTVAHYAUNUDHGI-LJQANCHMSA-N 2 2 349.482 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000106212629 454686866 /nfs/dbraw/zinc/68/68/66/454686866.db2.gz SQTMPPSPKXLJJN-SFHVURJKSA-N 2 2 346.519 3.121 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000106212629 454686876 /nfs/dbraw/zinc/68/68/76/454686876.db2.gz SQTMPPSPKXLJJN-SFHVURJKSA-N 2 2 346.519 3.121 10 0 EGAELP CCCC(CCC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000125501556 454827618 /nfs/dbraw/zinc/82/76/18/454827618.db2.gz UEAJEKFCFWYTJN-UHFFFAOYSA-N 2 2 337.552 3.269 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271464 454835819 /nfs/dbraw/zinc/83/58/19/454835819.db2.gz YZNJOOAVUOVPRG-KRWDZBQOSA-N 3 2 335.923 3.236 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271464 454835823 /nfs/dbraw/zinc/83/58/23/454835823.db2.gz YZNJOOAVUOVPRG-KRWDZBQOSA-N 3 2 335.923 3.236 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000151266648 454961415 /nfs/dbraw/zinc/96/14/15/454961415.db2.gz YGIZVJOLQVGCIS-RYUDHWBXSA-N 2 2 347.322 3.008 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287670 454963412 /nfs/dbraw/zinc/96/34/12/454963412.db2.gz WQYKNPMNJPQUNI-HOCLYGCPSA-N 2 2 340.920 3.313 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000178745669 454971712 /nfs/dbraw/zinc/97/17/12/454971712.db2.gz VROPEDREKDXRGD-KRWDZBQOSA-N 2 2 337.423 3.271 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000178745669 454971713 /nfs/dbraw/zinc/97/17/13/454971713.db2.gz VROPEDREKDXRGD-KRWDZBQOSA-N 2 2 337.423 3.271 10 0 EGAELP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000179345105 455035761 /nfs/dbraw/zinc/03/57/61/455035761.db2.gz UKRYBHGHOMMYFG-OAHLLOKOSA-N 2 2 328.456 3.426 10 0 EGAELP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000179345105 455035764 /nfs/dbraw/zinc/03/57/64/455035764.db2.gz UKRYBHGHOMMYFG-OAHLLOKOSA-N 2 2 328.456 3.426 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129053628 455095898 /nfs/dbraw/zinc/09/58/98/455095898.db2.gz VIORZXQWIOUAGC-UZLBHIALSA-N 2 2 346.434 3.328 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000180569831 455198903 /nfs/dbraw/zinc/19/89/03/455198903.db2.gz DFGAKRZIVZWYHV-WBVHZDCISA-N 2 2 325.460 3.146 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000190483198 455329587 /nfs/dbraw/zinc/32/95/87/455329587.db2.gz DVUSLTLHRIRKSM-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000190483198 455329590 /nfs/dbraw/zinc/32/95/90/455329590.db2.gz DVUSLTLHRIRKSM-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000190483198 455329594 /nfs/dbraw/zinc/32/95/94/455329594.db2.gz DVUSLTLHRIRKSM-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000190483198 455329596 /nfs/dbraw/zinc/32/95/96/455329596.db2.gz DVUSLTLHRIRKSM-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000245551632 455329563 /nfs/dbraw/zinc/32/95/63/455329563.db2.gz BPXATKAACMENMZ-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000245551632 455329566 /nfs/dbraw/zinc/32/95/66/455329566.db2.gz BPXATKAACMENMZ-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000245551632 455329570 /nfs/dbraw/zinc/32/95/70/455329570.db2.gz BPXATKAACMENMZ-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000245551632 455329574 /nfs/dbraw/zinc/32/95/74/455329574.db2.gz BPXATKAACMENMZ-ROUUACIJSA-N 2 2 326.488 3.421 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364051 /nfs/dbraw/zinc/36/40/51/455364051.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364053 /nfs/dbraw/zinc/36/40/53/455364053.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364056 /nfs/dbraw/zinc/36/40/56/455364056.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364057 /nfs/dbraw/zinc/36/40/57/455364057.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364060 /nfs/dbraw/zinc/36/40/60/455364060.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364061 /nfs/dbraw/zinc/36/40/61/455364061.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 2 326.488 3.343 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245743679 455370396 /nfs/dbraw/zinc/37/03/96/455370396.db2.gz MJIMMHLATHWCLV-KXBFYZLASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245743679 455370397 /nfs/dbraw/zinc/37/03/97/455370397.db2.gz MJIMMHLATHWCLV-KXBFYZLASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245743679 455370402 /nfs/dbraw/zinc/37/04/02/455370402.db2.gz MJIMMHLATHWCLV-KXBFYZLASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245743679 455370403 /nfs/dbraw/zinc/37/04/03/455370403.db2.gz MJIMMHLATHWCLV-KXBFYZLASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000175645109 455476211 /nfs/dbraw/zinc/47/62/11/455476211.db2.gz DMVUPESTGXAWOL-GFCCVEGCSA-N 2 2 333.399 3.031 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122976 455563169 /nfs/dbraw/zinc/56/31/69/455563169.db2.gz AMNIKKSRUVHDSA-VWWARQNISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000247122976 455563170 /nfs/dbraw/zinc/56/31/70/455563170.db2.gz AMNIKKSRUVHDSA-VWWARQNISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000247122976 455563179 /nfs/dbraw/zinc/56/31/79/455563179.db2.gz AMNIKKSRUVHDSA-VWWARQNISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000247290998 455584078 /nfs/dbraw/zinc/58/40/78/455584078.db2.gz HKTWGCGQFKRCFZ-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000247290998 455584080 /nfs/dbraw/zinc/58/40/80/455584080.db2.gz HKTWGCGQFKRCFZ-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962264 455616617 /nfs/dbraw/zinc/61/66/17/455616617.db2.gz ILYGGTDYOKWWKO-OCCSQVGLSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962264 455616618 /nfs/dbraw/zinc/61/66/18/455616618.db2.gz ILYGGTDYOKWWKO-OCCSQVGLSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962264 455616622 /nfs/dbraw/zinc/61/66/22/455616622.db2.gz ILYGGTDYOKWWKO-OCCSQVGLSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962264 455616626 /nfs/dbraw/zinc/61/66/26/455616626.db2.gz ILYGGTDYOKWWKO-OCCSQVGLSA-N 2 2 326.868 3.359 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886188 455652263 /nfs/dbraw/zinc/65/22/63/455652263.db2.gz DAUMQVJKAGWXEJ-XYPHTWIQSA-N 2 2 342.405 3.155 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886188 455652266 /nfs/dbraw/zinc/65/22/66/455652266.db2.gz DAUMQVJKAGWXEJ-XYPHTWIQSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886188 455652271 /nfs/dbraw/zinc/65/22/71/455652271.db2.gz DAUMQVJKAGWXEJ-XYPHTWIQSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247886188 455652274 /nfs/dbraw/zinc/65/22/74/455652274.db2.gz DAUMQVJKAGWXEJ-XYPHTWIQSA-N 2 2 342.405 3.155 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000185943800 455658423 /nfs/dbraw/zinc/65/84/23/455658423.db2.gz MPNDJTJGTDSLGC-IKGGRYGDSA-N 2 2 333.476 3.248 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000185943800 455658430 /nfs/dbraw/zinc/65/84/30/455658430.db2.gz MPNDJTJGTDSLGC-IKGGRYGDSA-N 2 2 333.476 3.248 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201494 455697984 /nfs/dbraw/zinc/69/79/84/455697984.db2.gz YWAXORGIAUIKTF-OALUTQOASA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201494 455697988 /nfs/dbraw/zinc/69/79/88/455697988.db2.gz YWAXORGIAUIKTF-OALUTQOASA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201494 455697992 /nfs/dbraw/zinc/69/79/92/455697992.db2.gz YWAXORGIAUIKTF-OALUTQOASA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201494 455697997 /nfs/dbraw/zinc/69/79/97/455697997.db2.gz YWAXORGIAUIKTF-OALUTQOASA-N 2 2 343.515 3.166 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895077 455721975 /nfs/dbraw/zinc/72/19/75/455721975.db2.gz ARVQBOHEEHUCCW-PMXSJFBMSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895077 455721978 /nfs/dbraw/zinc/72/19/78/455721978.db2.gz ARVQBOHEEHUCCW-PMXSJFBMSA-N 3 2 329.532 3.359 10 0 EGAELP CCOc1ccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000268912461 455728437 /nfs/dbraw/zinc/72/84/37/455728437.db2.gz NZELAMIPMOASQB-UHFFFAOYSA-N 2 2 342.443 3.017 10 0 EGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000284817934 455748034 /nfs/dbraw/zinc/74/80/34/455748034.db2.gz AJEVLSUKASSQCV-HZPDHXFCSA-N 2 2 332.410 3.046 10 0 EGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000284817934 455748037 /nfs/dbraw/zinc/74/80/37/455748037.db2.gz AJEVLSUKASSQCV-HZPDHXFCSA-N 2 2 332.410 3.046 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374574 455930425 /nfs/dbraw/zinc/93/04/25/455930425.db2.gz CPQFOGVBAPFPPD-JSGCOSHPSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374574 455930426 /nfs/dbraw/zinc/93/04/26/455930426.db2.gz CPQFOGVBAPFPPD-JSGCOSHPSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374574 455930428 /nfs/dbraw/zinc/93/04/28/455930428.db2.gz CPQFOGVBAPFPPD-JSGCOSHPSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)n2)[C@@H](C)C1 ZINC000272374574 455930430 /nfs/dbraw/zinc/93/04/30/455930430.db2.gz CPQFOGVBAPFPPD-JSGCOSHPSA-N 2 2 326.282 3.006 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000272381345 455932186 /nfs/dbraw/zinc/93/21/86/455932186.db2.gz DWPNHCQZSSINEP-DDBAPUKQSA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000272381345 455932192 /nfs/dbraw/zinc/93/21/92/455932192.db2.gz DWPNHCQZSSINEP-DDBAPUKQSA-N 2 2 339.487 3.213 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000617012532 460707390 /nfs/dbraw/zinc/70/73/90/460707390.db2.gz CAJJQYMPNADWGA-INIZCTEOSA-N 2 2 339.439 3.477 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000617012532 460707397 /nfs/dbraw/zinc/70/73/97/460707397.db2.gz CAJJQYMPNADWGA-INIZCTEOSA-N 2 2 339.439 3.477 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000270695843 456017702 /nfs/dbraw/zinc/01/77/02/456017702.db2.gz HCYFMFDANSXNHH-HUUCEWRRSA-N 2 2 329.354 3.093 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000270695843 456017704 /nfs/dbraw/zinc/01/77/04/456017704.db2.gz HCYFMFDANSXNHH-HUUCEWRRSA-N 2 2 329.354 3.093 10 0 EGAELP Cc1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc(C)[nH+]1 ZINC000301260657 456074622 /nfs/dbraw/zinc/07/46/22/456074622.db2.gz OMVDZCIHCLTKJF-CQSZACIVSA-N 2 2 332.398 3.448 10 0 EGAELP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc(C)[nH+]1 ZINC000301260657 456074624 /nfs/dbraw/zinc/07/46/24/456074624.db2.gz OMVDZCIHCLTKJF-CQSZACIVSA-N 2 2 332.398 3.448 10 0 EGAELP CCOC(=O)CCc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C)[nH+]1 ZINC000601101063 460709892 /nfs/dbraw/zinc/70/98/92/460709892.db2.gz HCRWIMKQSDTFIC-UHFFFAOYSA-N 2 2 348.491 3.002 10 0 EGAELP Cc1cnc(C[N@@H+](C)C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000230156518 456134462 /nfs/dbraw/zinc/13/44/62/456134462.db2.gz OZVFEFYLTCUFOV-IAGOWNOFSA-N 2 2 338.499 3.373 10 0 EGAELP Cc1cnc(C[N@H+](C)C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000230156518 456134466 /nfs/dbraw/zinc/13/44/66/456134466.db2.gz OZVFEFYLTCUFOV-IAGOWNOFSA-N 2 2 338.499 3.373 10 0 EGAELP C[NH+](C)C1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000352762928 456284799 /nfs/dbraw/zinc/28/47/99/456284799.db2.gz KPEBCFFVOFZPKN-UHFFFAOYSA-N 2 2 325.412 3.040 10 0 EGAELP Cc1ncc(C[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)s1 ZINC000275733430 456299905 /nfs/dbraw/zinc/29/99/05/456299905.db2.gz PCXJCXGZHZSFME-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)s1 ZINC000275733430 456299910 /nfs/dbraw/zinc/29/99/10/456299910.db2.gz PCXJCXGZHZSFME-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)s1 ZINC000275733430 456299916 /nfs/dbraw/zinc/29/99/16/456299916.db2.gz PCXJCXGZHZSFME-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)s1 ZINC000275733430 456299921 /nfs/dbraw/zinc/29/99/21/456299921.db2.gz PCXJCXGZHZSFME-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040588 456396889 /nfs/dbraw/zinc/39/68/89/456396889.db2.gz LLOJTLGKJFJRQZ-ICSRJNTNSA-N 2 2 339.483 3.002 10 0 EGAELP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040588 456396899 /nfs/dbraw/zinc/39/68/99/456396899.db2.gz LLOJTLGKJFJRQZ-ICSRJNTNSA-N 2 2 339.483 3.002 10 0 EGAELP C[C@]1(CNc2nc[nH+]c(N)c2Cl)CCC[N@@H+]1Cc1ccccc1 ZINC000302857680 456418556 /nfs/dbraw/zinc/41/85/56/456418556.db2.gz SOLYNVXQSQCJBR-QGZVFWFLSA-N 2 2 331.851 3.179 10 0 EGAELP C[C@]1(CNc2nc[nH+]c(N)c2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000302857680 456418562 /nfs/dbraw/zinc/41/85/62/456418562.db2.gz SOLYNVXQSQCJBR-QGZVFWFLSA-N 2 2 331.851 3.179 10 0 EGAELP c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000302882884 456426793 /nfs/dbraw/zinc/42/67/93/456426793.db2.gz JDROQFDXPCMWML-SFHVURJKSA-N 2 2 343.519 3.169 10 0 EGAELP c1nc(N2CCCC2)cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000302882884 456426799 /nfs/dbraw/zinc/42/67/99/456426799.db2.gz JDROQFDXPCMWML-SFHVURJKSA-N 2 2 343.519 3.169 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466670 456477970 /nfs/dbraw/zinc/47/79/70/456477970.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000340466670 456477971 /nfs/dbraw/zinc/47/79/71/456477971.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466670 456477976 /nfs/dbraw/zinc/47/79/76/456477976.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000340466670 456477978 /nfs/dbraw/zinc/47/79/78/456477978.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466670 456477981 /nfs/dbraw/zinc/47/79/81/456477981.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000340466670 456477984 /nfs/dbraw/zinc/47/79/84/456477984.db2.gz DRTRRUDVGXZEHM-BEFAXECRSA-N 2 2 345.466 3.135 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054234 456511821 /nfs/dbraw/zinc/51/18/21/456511821.db2.gz CJVXXKGRESCLRC-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054234 456511828 /nfs/dbraw/zinc/51/18/28/456511828.db2.gz CJVXXKGRESCLRC-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054234 456511833 /nfs/dbraw/zinc/51/18/33/456511833.db2.gz CJVXXKGRESCLRC-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054234 456511839 /nfs/dbraw/zinc/51/18/39/456511839.db2.gz CJVXXKGRESCLRC-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n2c1CCCC2 ZINC000282656714 456582886 /nfs/dbraw/zinc/58/28/86/456582886.db2.gz GLEDSXPUXISQFY-MRXNPFEDSA-N 2 2 339.439 3.328 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)n2c1CCCC2 ZINC000282656714 456582891 /nfs/dbraw/zinc/58/28/91/456582891.db2.gz GLEDSXPUXISQFY-MRXNPFEDSA-N 2 2 339.439 3.328 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282682208 456590190 /nfs/dbraw/zinc/59/01/90/456590190.db2.gz IJOYNOICIYZDEJ-INIZCTEOSA-N 2 2 341.455 3.313 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282682208 456590197 /nfs/dbraw/zinc/59/01/97/456590197.db2.gz IJOYNOICIYZDEJ-INIZCTEOSA-N 2 2 341.455 3.313 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000353258877 456593347 /nfs/dbraw/zinc/59/33/47/456593347.db2.gz RUBNVZGMBVZAOV-MJGOQNOKSA-N 2 2 341.503 3.310 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc(Cl)ccc2Br)c1 ZINC000313249329 456596933 /nfs/dbraw/zinc/59/69/33/456596933.db2.gz HONSEKKOPIXOIC-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889477 456610912 /nfs/dbraw/zinc/61/09/12/456610912.db2.gz HLYVSJINABGWOQ-IRXDYDNUSA-N 2 2 337.533 3.122 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889477 456610913 /nfs/dbraw/zinc/61/09/13/456610913.db2.gz HLYVSJINABGWOQ-IRXDYDNUSA-N 2 2 337.533 3.122 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)[nH+]c1 ZINC000343453898 456631646 /nfs/dbraw/zinc/63/16/46/456631646.db2.gz TZBOAKMWYDTSJC-YQVWRLOYSA-N 2 2 329.488 3.235 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000348399991 456666965 /nfs/dbraw/zinc/66/69/65/456666965.db2.gz AYPBQIVTCNRNHU-MRXNPFEDSA-N 2 2 334.410 3.042 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324625549 456670509 /nfs/dbraw/zinc/67/05/09/456670509.db2.gz PCOWOHISPIJESQ-IEBWSBKVSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324625549 456670515 /nfs/dbraw/zinc/67/05/15/456670515.db2.gz PCOWOHISPIJESQ-IEBWSBKVSA-N 2 2 329.488 3.213 10 0 EGAELP C[N@@H+]1CC[C@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463156 456697782 /nfs/dbraw/zinc/69/77/82/456697782.db2.gz HSPWYDGRIKHUEU-CGNZLSCGSA-N 2 2 328.500 3.365 10 0 EGAELP C[N@H+]1CC[C@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463156 456697789 /nfs/dbraw/zinc/69/77/89/456697789.db2.gz HSPWYDGRIKHUEU-CGNZLSCGSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@H]2OCC[N@H+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463156 456697791 /nfs/dbraw/zinc/69/77/91/456697791.db2.gz HSPWYDGRIKHUEU-CGNZLSCGSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@H]2OCC[N@@H+](CC3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000348463156 456697795 /nfs/dbraw/zinc/69/77/95/456697795.db2.gz HSPWYDGRIKHUEU-CGNZLSCGSA-N 2 2 328.500 3.365 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733725 /nfs/dbraw/zinc/73/37/25/456733725.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 3 2 342.462 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733730 /nfs/dbraw/zinc/73/37/30/456733730.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 3 2 342.462 3.282 10 0 EGAELP c1cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc2[nH]1 ZINC000353622668 456810938 /nfs/dbraw/zinc/81/09/38/456810938.db2.gz MLOWZODFPDSXIU-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042308 456837308 /nfs/dbraw/zinc/83/73/08/456837308.db2.gz APCNKSYOPDIVFP-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042308 456837315 /nfs/dbraw/zinc/83/73/15/456837315.db2.gz APCNKSYOPDIVFP-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042308 456837320 /nfs/dbraw/zinc/83/73/20/456837320.db2.gz APCNKSYOPDIVFP-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292042308 456837326 /nfs/dbraw/zinc/83/73/26/456837326.db2.gz APCNKSYOPDIVFP-IIBYNOLFSA-N 2 2 337.467 3.194 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697141 456849581 /nfs/dbraw/zinc/84/95/81/456849581.db2.gz BMFLIKUJNRBYDJ-UHOSZYNNSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697141 456849585 /nfs/dbraw/zinc/84/95/85/456849585.db2.gz BMFLIKUJNRBYDJ-UHOSZYNNSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697141 456849589 /nfs/dbraw/zinc/84/95/89/456849589.db2.gz BMFLIKUJNRBYDJ-UHOSZYNNSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697141 456849592 /nfs/dbraw/zinc/84/95/92/456849592.db2.gz BMFLIKUJNRBYDJ-UHOSZYNNSA-N 2 2 330.472 3.067 10 0 EGAELP Cc1nn2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745654 456885802 /nfs/dbraw/zinc/88/58/02/456885802.db2.gz KJCSWJXIKPKKLY-TZMCWYRMSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745654 456885805 /nfs/dbraw/zinc/88/58/05/456885805.db2.gz KJCSWJXIKPKKLY-TZMCWYRMSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745654 456885807 /nfs/dbraw/zinc/88/58/07/456885807.db2.gz KJCSWJXIKPKKLY-TZMCWYRMSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000353745654 456885811 /nfs/dbraw/zinc/88/58/11/456885811.db2.gz KJCSWJXIKPKKLY-TZMCWYRMSA-N 2 2 335.521 3.137 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000353970790 456983527 /nfs/dbraw/zinc/98/35/27/456983527.db2.gz FMVQEGXMOXTEMZ-SALMWKFDSA-N 2 2 349.563 3.265 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H](C)C1CCCCC1 ZINC000353970790 456983528 /nfs/dbraw/zinc/98/35/28/456983528.db2.gz FMVQEGXMOXTEMZ-SALMWKFDSA-N 2 2 349.563 3.265 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C2 ZINC000356704102 457125563 /nfs/dbraw/zinc/12/55/63/457125563.db2.gz STSUBHAJEWTOHX-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000356704102 457125568 /nfs/dbraw/zinc/12/55/68/457125568.db2.gz STSUBHAJEWTOHX-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354597013 457291715 /nfs/dbraw/zinc/29/17/15/457291715.db2.gz GRUZYUYZNVWFRQ-HXUWFJFHSA-N 2 2 332.488 3.220 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354597013 457291721 /nfs/dbraw/zinc/29/17/21/457291721.db2.gz GRUZYUYZNVWFRQ-HXUWFJFHSA-N 2 2 332.488 3.220 10 0 EGAELP COc1cccc(NC(=O)C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)c1 ZINC000363677622 457411231 /nfs/dbraw/zinc/41/12/31/457411231.db2.gz YVGZPDVHCHYPLX-UHFFFAOYSA-N 2 2 339.439 3.217 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)c[nH+]1 ZINC000374644361 457679724 /nfs/dbraw/zinc/67/97/24/457679724.db2.gz GOACWKTZMHRVMA-UHFFFAOYSA-N 2 2 345.393 3.486 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000361328501 457694895 /nfs/dbraw/zinc/69/48/95/457694895.db2.gz MRLOGTRBWMTIGF-CMJOXMDJSA-N 2 2 335.517 3.214 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000361328501 457694897 /nfs/dbraw/zinc/69/48/97/457694897.db2.gz MRLOGTRBWMTIGF-CMJOXMDJSA-N 2 2 335.517 3.214 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001949 457736397 /nfs/dbraw/zinc/73/63/97/457736397.db2.gz FWPRCHMWVIWOKX-NJSLBKSFSA-N 2 2 327.472 3.168 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001949 457736400 /nfs/dbraw/zinc/73/64/00/457736400.db2.gz FWPRCHMWVIWOKX-NJSLBKSFSA-N 2 2 327.472 3.168 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000361518594 457767355 /nfs/dbraw/zinc/76/73/55/457767355.db2.gz KAJSMBGODHUSPF-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)ccc1F ZINC000361530642 457774982 /nfs/dbraw/zinc/77/49/82/457774982.db2.gz ZTLJAHNJQVMXGI-UHFFFAOYSA-N 2 2 341.390 3.287 10 0 EGAELP CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371476365 457952144 /nfs/dbraw/zinc/95/21/44/457952144.db2.gz BFOHDBMTJQYFAX-UYAOXDASSA-N 2 2 326.488 3.431 10 0 EGAELP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371476365 457952146 /nfs/dbraw/zinc/95/21/46/457952146.db2.gz BFOHDBMTJQYFAX-UYAOXDASSA-N 2 2 326.488 3.431 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ncn1 ZINC000428219283 458100890 /nfs/dbraw/zinc/10/08/90/458100890.db2.gz ONOKTYUGYJUKLT-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ncn1 ZINC000428219283 458100893 /nfs/dbraw/zinc/10/08/93/458100893.db2.gz ONOKTYUGYJUKLT-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ncn1 ZINC000428219283 458100897 /nfs/dbraw/zinc/10/08/97/458100897.db2.gz ONOKTYUGYJUKLT-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncn1 ZINC000428219283 458100900 /nfs/dbraw/zinc/10/09/00/458100900.db2.gz ONOKTYUGYJUKLT-OAQYLSRUSA-N 2 2 336.483 3.273 10 0 EGAELP CC[NH+](CC)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000369410571 458205374 /nfs/dbraw/zinc/20/53/74/458205374.db2.gz XSCKNSLFVXPVEQ-LJQANCHMSA-N 2 2 340.471 3.199 10 0 EGAELP CC[NH+](CC)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000369410571 458205380 /nfs/dbraw/zinc/20/53/80/458205380.db2.gz XSCKNSLFVXPVEQ-LJQANCHMSA-N 2 2 340.471 3.199 10 0 EGAELP COCc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000459430628 458369122 /nfs/dbraw/zinc/36/91/22/458369122.db2.gz LFHLXSDIGIIDCO-SUMWQHHRSA-N 2 2 335.473 3.055 10 0 EGAELP COCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459430628 458369127 /nfs/dbraw/zinc/36/91/27/458369127.db2.gz LFHLXSDIGIIDCO-SUMWQHHRSA-N 2 2 335.473 3.055 10 0 EGAELP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430029222 458391930 /nfs/dbraw/zinc/39/19/30/458391930.db2.gz XCSAJVIGNGCARF-UHFFFAOYSA-N 2 2 340.471 3.068 10 0 EGAELP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430029222 458391935 /nfs/dbraw/zinc/39/19/35/458391935.db2.gz XCSAJVIGNGCARF-UHFFFAOYSA-N 2 2 340.471 3.068 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000430075557 458396904 /nfs/dbraw/zinc/39/69/04/458396904.db2.gz BLXRMXOMMGBKKH-UHFFFAOYSA-N 2 2 340.471 3.070 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000430075557 458396907 /nfs/dbraw/zinc/39/69/07/458396907.db2.gz BLXRMXOMMGBKKH-UHFFFAOYSA-N 2 2 340.471 3.070 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000430238927 458426051 /nfs/dbraw/zinc/42/60/51/458426051.db2.gz LNKUJTIIQZNCOD-INIZCTEOSA-N 2 2 349.438 3.255 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000430238927 458426054 /nfs/dbraw/zinc/42/60/54/458426054.db2.gz LNKUJTIIQZNCOD-INIZCTEOSA-N 2 2 349.438 3.255 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482722 458505471 /nfs/dbraw/zinc/50/54/71/458505471.db2.gz HGXVBNTWAUGRRR-MFNRNEDNSA-N 3 2 347.469 3.112 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482722 458505474 /nfs/dbraw/zinc/50/54/74/458505474.db2.gz HGXVBNTWAUGRRR-MFNRNEDNSA-N 3 2 347.469 3.112 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486111 458506021 /nfs/dbraw/zinc/50/60/21/458506021.db2.gz QNORORVPMJTYNX-SOEBMCCKSA-N 3 2 345.453 3.008 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486111 458506024 /nfs/dbraw/zinc/50/60/24/458506024.db2.gz QNORORVPMJTYNX-SOEBMCCKSA-N 3 2 345.453 3.008 10 0 EGAELP Cc1noc(C)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492233 458509019 /nfs/dbraw/zinc/50/90/19/458509019.db2.gz CEHLBPYLVOWQGJ-UHFFFAOYSA-N 2 2 331.382 3.186 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC(C)C ZINC000377788120 458527755 /nfs/dbraw/zinc/52/77/55/458527755.db2.gz UGXQIIHWBSKCDT-MRXNPFEDSA-N 2 2 343.471 3.490 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC(C)C ZINC000377788120 458527761 /nfs/dbraw/zinc/52/77/61/458527761.db2.gz UGXQIIHWBSKCDT-MRXNPFEDSA-N 2 2 343.471 3.490 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798991 458531967 /nfs/dbraw/zinc/53/19/67/458531967.db2.gz PJZFBCINQYOTBY-BBRMVZONSA-N 2 2 341.459 3.148 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798991 458531974 /nfs/dbraw/zinc/53/19/74/458531974.db2.gz PJZFBCINQYOTBY-BBRMVZONSA-N 2 2 341.459 3.148 10 0 EGAELP COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000424198795 458582659 /nfs/dbraw/zinc/58/26/59/458582659.db2.gz JTALZRIYCMVSLQ-UHFFFAOYSA-N 2 2 336.867 3.173 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)[C@@H](C)C1 ZINC000424330683 458618138 /nfs/dbraw/zinc/61/81/38/458618138.db2.gz UNFQOFLZTYUJPL-IJXRJRJASA-N 2 2 334.479 3.350 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)[C@@H](C)C1 ZINC000424330683 458618142 /nfs/dbraw/zinc/61/81/42/458618142.db2.gz UNFQOFLZTYUJPL-IJXRJRJASA-N 2 2 334.479 3.350 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378084648 458626008 /nfs/dbraw/zinc/62/60/08/458626008.db2.gz MITWWVSTJRSPRC-UHFFFAOYSA-N 2 2 340.471 3.271 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378084648 458626016 /nfs/dbraw/zinc/62/60/16/458626016.db2.gz MITWWVSTJRSPRC-UHFFFAOYSA-N 2 2 340.471 3.271 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000462788124 458654045 /nfs/dbraw/zinc/65/40/45/458654045.db2.gz DVVHJOYYPQRKKO-QZTJIDSGSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000462788124 458654052 /nfs/dbraw/zinc/65/40/52/458654052.db2.gz DVVHJOYYPQRKKO-QZTJIDSGSA-N 2 2 330.472 3.358 10 0 EGAELP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530210933 458718460 /nfs/dbraw/zinc/71/84/60/458718460.db2.gz NKZWMOCPNAPDKW-SECBINFHSA-N 2 2 333.220 3.287 10 0 EGAELP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530218786 458720978 /nfs/dbraw/zinc/72/09/78/458720978.db2.gz NGSCVNWBMVNDRQ-JTQLQIEISA-N 2 2 333.220 3.288 10 0 EGAELP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530218786 458720984 /nfs/dbraw/zinc/72/09/84/458720984.db2.gz NGSCVNWBMVNDRQ-JTQLQIEISA-N 2 2 333.220 3.288 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218301 458722333 /nfs/dbraw/zinc/72/23/33/458722333.db2.gz IPLXSDHNVFITNJ-CABCVRRESA-N 2 2 326.362 3.447 10 0 EGAELP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000495032536 458786002 /nfs/dbraw/zinc/78/60/02/458786002.db2.gz VSDWBQLXPFZOAV-XCRHUMRWSA-N 2 2 329.419 3.164 10 0 EGAELP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000495032536 458786010 /nfs/dbraw/zinc/78/60/10/458786010.db2.gz VSDWBQLXPFZOAV-XCRHUMRWSA-N 2 2 329.419 3.164 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000566476387 458945964 /nfs/dbraw/zinc/94/59/64/458945964.db2.gz YCPADGSBUOTCOG-UHFFFAOYSA-N 2 2 347.466 3.117 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683419 458961347 /nfs/dbraw/zinc/96/13/47/458961347.db2.gz JSTGRJGEFHGDBB-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683419 458961355 /nfs/dbraw/zinc/96/13/55/458961355.db2.gz JSTGRJGEFHGDBB-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683419 458961359 /nfs/dbraw/zinc/96/13/59/458961359.db2.gz JSTGRJGEFHGDBB-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683419 458961367 /nfs/dbraw/zinc/96/13/67/458961367.db2.gz JSTGRJGEFHGDBB-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000577146456 458985659 /nfs/dbraw/zinc/98/56/59/458985659.db2.gz CKANXZFJYMJZCM-GOSISDBHSA-N 2 2 329.444 3.219 10 0 EGAELP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000577146456 458985665 /nfs/dbraw/zinc/98/56/65/458985665.db2.gz CKANXZFJYMJZCM-GOSISDBHSA-N 2 2 329.444 3.219 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000519789680 459005609 /nfs/dbraw/zinc/00/56/09/459005609.db2.gz GFYBDJJPXQHVRC-TZMCWYRMSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000519789680 459005613 /nfs/dbraw/zinc/00/56/13/459005613.db2.gz GFYBDJJPXQHVRC-TZMCWYRMSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000519789668 459005628 /nfs/dbraw/zinc/00/56/28/459005628.db2.gz GFYBDJJPXQHVRC-GXTWGEPZSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000519789668 459005632 /nfs/dbraw/zinc/00/56/32/459005632.db2.gz GFYBDJJPXQHVRC-GXTWGEPZSA-N 2 2 346.862 3.236 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028906 /nfs/dbraw/zinc/02/89/06/459028906.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 3 2 341.543 3.359 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028908 /nfs/dbraw/zinc/02/89/08/459028908.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028912 /nfs/dbraw/zinc/02/89/12/459028912.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028915 /nfs/dbraw/zinc/02/89/15/459028915.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 3 2 341.543 3.359 10 0 EGAELP CCC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccsc1 ZINC000443098626 459087347 /nfs/dbraw/zinc/08/73/47/459087347.db2.gz AXXANCNKTIFJFX-HOTGVXAUSA-N 2 2 346.500 3.104 10 0 EGAELP CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000594624489 459116083 /nfs/dbraw/zinc/11/60/83/459116083.db2.gz RBDPOCWARWURNN-MRXNPFEDSA-N 2 2 335.473 3.390 10 0 EGAELP C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1[nH]cc[nH+]1 ZINC000568233764 459255469 /nfs/dbraw/zinc/25/54/69/459255469.db2.gz ZTWHKJDVKNLNRE-UKRRQHHQSA-N 2 2 341.459 3.094 10 0 EGAELP FC(F)(F)COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000569063386 459387210 /nfs/dbraw/zinc/38/72/10/459387210.db2.gz ZWFMBKIEWVIVSC-UHFFFAOYSA-N 2 2 340.349 3.125 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866857 459458549 /nfs/dbraw/zinc/45/85/49/459458549.db2.gz HYSCQOYHIXYQSP-MSOLQXFVSA-N 2 2 340.471 3.472 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866857 459458554 /nfs/dbraw/zinc/45/85/54/459458554.db2.gz HYSCQOYHIXYQSP-MSOLQXFVSA-N 2 2 340.471 3.472 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868808 459459424 /nfs/dbraw/zinc/45/94/24/459459424.db2.gz FJFDBYFSZSVAEI-CQSZACIVSA-N 2 2 329.835 3.260 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868808 459459430 /nfs/dbraw/zinc/45/94/30/459459430.db2.gz FJFDBYFSZSVAEI-CQSZACIVSA-N 2 2 329.835 3.260 10 0 EGAELP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583173557 459495222 /nfs/dbraw/zinc/49/52/22/459495222.db2.gz FSNKEECUJVYPAD-AWEZNQCLSA-N 2 2 327.819 3.100 10 0 EGAELP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583173557 459495228 /nfs/dbraw/zinc/49/52/28/459495228.db2.gz FSNKEECUJVYPAD-AWEZNQCLSA-N 2 2 327.819 3.100 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)c2)c[nH+]1 ZINC000561986205 459500140 /nfs/dbraw/zinc/50/01/40/459500140.db2.gz FUSBKODUIQYLMP-UHFFFAOYSA-N 2 2 339.420 3.307 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)c2)c[nH+]1 ZINC000561986205 459500150 /nfs/dbraw/zinc/50/01/50/459500150.db2.gz FUSBKODUIQYLMP-UHFFFAOYSA-N 2 2 339.420 3.307 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000583661607 459576285 /nfs/dbraw/zinc/57/62/85/459576285.db2.gz UVOQCFFVCNZDMZ-OXJNMPFZSA-N 2 2 338.451 3.398 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000583661607 459576290 /nfs/dbraw/zinc/57/62/90/459576290.db2.gz UVOQCFFVCNZDMZ-OXJNMPFZSA-N 2 2 338.451 3.398 10 0 EGAELP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000572847598 459585666 /nfs/dbraw/zinc/58/56/66/459585666.db2.gz IMNYPBZEPXRQCX-UHFFFAOYSA-N 2 2 348.450 3.003 10 0 EGAELP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000572847598 459585671 /nfs/dbraw/zinc/58/56/71/459585671.db2.gz IMNYPBZEPXRQCX-UHFFFAOYSA-N 2 2 348.450 3.003 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120616 459717697 /nfs/dbraw/zinc/71/76/97/459717697.db2.gz AJENZUFOUJCFGL-MISYRCLQSA-N 2 2 339.527 3.398 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120616 459717702 /nfs/dbraw/zinc/71/77/02/459717702.db2.gz AJENZUFOUJCFGL-MISYRCLQSA-N 2 2 339.527 3.398 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Br)[C@H]1c1ccccc1 ZINC000501968374 459752757 /nfs/dbraw/zinc/75/27/57/459752757.db2.gz BNJKQPXGYJJGIT-JKSUJKDBSA-N 2 2 332.245 3.123 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)OC(C)(C)C ZINC000574158185 459785696 /nfs/dbraw/zinc/78/56/96/459785696.db2.gz LZFCTEYRXLHUQG-GOEBONIOSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)OC(C)(C)C ZINC000574158185 459785700 /nfs/dbraw/zinc/78/57/00/459785700.db2.gz LZFCTEYRXLHUQG-GOEBONIOSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527979553 459786841 /nfs/dbraw/zinc/78/68/41/459786841.db2.gz KEZFHCJUALHOBS-MWLCHTKSSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000527979553 459786844 /nfs/dbraw/zinc/78/68/44/459786844.db2.gz KEZFHCJUALHOBS-MWLCHTKSSA-N 2 2 333.220 3.300 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCCCC3)CC23CC3)cc1 ZINC000574518258 459828416 /nfs/dbraw/zinc/82/84/16/459828416.db2.gz YZUWFLGQGOKWKG-FQEVSTJZSA-N 2 2 327.516 3.259 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCCCC3)CC23CC3)cc1 ZINC000574518258 459828417 /nfs/dbraw/zinc/82/84/17/459828417.db2.gz YZUWFLGQGOKWKG-FQEVSTJZSA-N 2 2 327.516 3.259 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000585814580 459855203 /nfs/dbraw/zinc/85/52/03/459855203.db2.gz LWRGUQZULZBYPT-IBGZPJMESA-N 2 2 338.499 3.409 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000585814580 459855212 /nfs/dbraw/zinc/85/52/12/459855212.db2.gz LWRGUQZULZBYPT-IBGZPJMESA-N 2 2 338.499 3.409 10 0 EGAELP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597242222 459891894 /nfs/dbraw/zinc/89/18/94/459891894.db2.gz VLZPIQQIQRBRTP-NVXWUHKLSA-N 2 2 333.457 3.145 10 0 EGAELP Cc1cccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1C ZINC000621476394 459919023 /nfs/dbraw/zinc/91/90/23/459919023.db2.gz NMZUSOHLPRQXDK-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690497 459969764 /nfs/dbraw/zinc/96/97/64/459969764.db2.gz DOIXHMQULBIUQL-NHCUHLMSSA-N 2 2 342.458 3.456 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690497 459969770 /nfs/dbraw/zinc/96/97/70/459969770.db2.gz DOIXHMQULBIUQL-NHCUHLMSSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690497 459969776 /nfs/dbraw/zinc/96/97/76/459969776.db2.gz DOIXHMQULBIUQL-NHCUHLMSSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000588690497 459969780 /nfs/dbraw/zinc/96/97/80/459969780.db2.gz DOIXHMQULBIUQL-NHCUHLMSSA-N 2 2 342.458 3.456 10 0 EGAELP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000613994694 459986138 /nfs/dbraw/zinc/98/61/38/459986138.db2.gz AJFVISOSJSUYBD-IRXDYDNUSA-N 2 2 345.446 3.169 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228216 460079501 /nfs/dbraw/zinc/07/95/01/460079501.db2.gz XTKQPUJARNYVRV-KSSFIOAISA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228216 460079510 /nfs/dbraw/zinc/07/95/10/460079510.db2.gz XTKQPUJARNYVRV-KSSFIOAISA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228216 460079520 /nfs/dbraw/zinc/07/95/20/460079520.db2.gz XTKQPUJARNYVRV-KSSFIOAISA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)CC[C@@H]21 ZINC000625228216 460079526 /nfs/dbraw/zinc/07/95/26/460079526.db2.gz XTKQPUJARNYVRV-KSSFIOAISA-N 2 2 329.419 3.397 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621904683 460109598 /nfs/dbraw/zinc/10/95/98/460109598.db2.gz XKBROBNZIREEIQ-CYBMUJFWSA-N 2 2 337.427 3.059 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000625876367 460290091 /nfs/dbraw/zinc/29/00/91/460290091.db2.gz JMFRGHFZOOKBPC-HYVNUMGLSA-N 2 2 345.491 3.031 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000626088840 460365917 /nfs/dbraw/zinc/36/59/17/460365917.db2.gz QDZUDJQDGCQWBF-UHFFFAOYSA-N 2 2 334.479 3.335 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000600128677 460394576 /nfs/dbraw/zinc/39/45/76/460394576.db2.gz ADHYQNVEYIJTGH-GUYCJALGSA-N 2 2 344.459 3.088 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000600128677 460394584 /nfs/dbraw/zinc/39/45/84/460394584.db2.gz ADHYQNVEYIJTGH-GUYCJALGSA-N 2 2 344.459 3.088 10 0 EGAELP CCc1cc(N2CCC(CC)([NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000631477660 460399554 /nfs/dbraw/zinc/39/95/54/460399554.db2.gz MNKPAIHJTDFYOS-UHFFFAOYSA-N 2 2 339.487 3.412 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000623089377 460407838 /nfs/dbraw/zinc/40/78/38/460407838.db2.gz FHBTXAKJMSHEQP-YESZJQIVSA-N 2 2 330.463 3.148 10 0 EGAELP CCn1c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)nc2ccccc21 ZINC000623088746 460408799 /nfs/dbraw/zinc/40/87/99/460408799.db2.gz BUGFNGNTDFEGMV-UHFFFAOYSA-N 2 2 336.430 3.123 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2nccc(Br)c2C1 ZINC000623286407 460475964 /nfs/dbraw/zinc/47/59/64/460475964.db2.gz RJTIFHFLJPRCLA-ZDUSSCGKSA-N 2 2 338.293 3.077 10 0 EGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2nccc(Br)c2C1 ZINC000623286407 460475974 /nfs/dbraw/zinc/47/59/74/460475974.db2.gz RJTIFHFLJPRCLA-ZDUSSCGKSA-N 2 2 338.293 3.077 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286407 460475979 /nfs/dbraw/zinc/47/59/79/460475979.db2.gz RJTIFHFLJPRCLA-ZDUSSCGKSA-N 2 2 338.293 3.077 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286407 460475986 /nfs/dbraw/zinc/47/59/86/460475986.db2.gz RJTIFHFLJPRCLA-ZDUSSCGKSA-N 2 2 338.293 3.077 10 0 EGAELP CC1(C)C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000634683560 460476537 /nfs/dbraw/zinc/47/65/37/460476537.db2.gz UJRTWYJCUZBBQS-NFOMZHRRSA-N 2 2 334.426 3.339 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360893 460509181 /nfs/dbraw/zinc/50/91/81/460509181.db2.gz CWHYREQKCNYITA-HXUWFJFHSA-N 3 2 329.532 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623360893 460509190 /nfs/dbraw/zinc/50/91/90/460509190.db2.gz CWHYREQKCNYITA-HXUWFJFHSA-N 3 2 329.532 3.422 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@@H+]1C ZINC000623430448 460545402 /nfs/dbraw/zinc/54/54/02/460545402.db2.gz QDYYTBLCWMVUFN-YPMHNXCESA-N 2 2 334.357 3.339 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@H+]1C ZINC000623430448 460545407 /nfs/dbraw/zinc/54/54/07/460545407.db2.gz QDYYTBLCWMVUFN-YPMHNXCESA-N 2 2 334.357 3.339 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000623870712 460753972 /nfs/dbraw/zinc/75/39/72/460753972.db2.gz KIMGALHNMWVMAQ-CMPLNLGQSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000623870712 460753979 /nfs/dbraw/zinc/75/39/79/460753979.db2.gz KIMGALHNMWVMAQ-CMPLNLGQSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000629518146 460791708 /nfs/dbraw/zinc/79/17/08/460791708.db2.gz DQOYBHKYZWMLBG-DQLDELGASA-N 2 2 349.478 3.114 10 0 EGAELP COc1ncc(Br)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629523616 460794452 /nfs/dbraw/zinc/79/44/52/460794452.db2.gz IWRJEVBIQRLEGI-HUUCEWRRSA-N 2 2 348.244 3.087 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000629543571 460803005 /nfs/dbraw/zinc/80/30/05/460803005.db2.gz DENGFWGRVFGNBE-ILXVDBEPSA-N 2 2 336.451 3.175 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[C@H]([NH+]3CCCC3)CC1)nc1ccccc12 ZINC000623984489 460810715 /nfs/dbraw/zinc/81/07/15/460810715.db2.gz KNZFSXMEJLJVDO-INIZCTEOSA-N 2 2 335.455 3.337 10 0 EGAELP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC ZINC000629666444 460856523 /nfs/dbraw/zinc/85/65/23/460856523.db2.gz PDPVBWPZKRTHFU-RYGJVYDSSA-N 2 2 332.488 3.304 10 0 EGAELP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC ZINC000629666444 460856529 /nfs/dbraw/zinc/85/65/29/460856529.db2.gz PDPVBWPZKRTHFU-RYGJVYDSSA-N 2 2 332.488 3.304 10 0 EGAELP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122082 460870016 /nfs/dbraw/zinc/87/00/16/460870016.db2.gz JHKFEPARPKLMJX-KXBFYZLASA-N 2 2 328.435 3.027 10 0 EGAELP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122082 460870026 /nfs/dbraw/zinc/87/00/26/460870026.db2.gz JHKFEPARPKLMJX-KXBFYZLASA-N 2 2 328.435 3.027 10 0 EGAELP Cc1cc(C)c(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c(C)[nH+]1 ZINC000632945530 460898945 /nfs/dbraw/zinc/89/89/45/460898945.db2.gz GMFYEBPQWQMHGQ-QGZVFWFLSA-N 2 2 326.444 3.088 10 0 EGAELP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189640 460904482 /nfs/dbraw/zinc/90/44/82/460904482.db2.gz VUKRLIRZKVICKG-RDTXWAMCSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189640 460904484 /nfs/dbraw/zinc/90/44/84/460904484.db2.gz VUKRLIRZKVICKG-RDTXWAMCSA-N 2 2 333.451 3.149 10 0 EGAELP Cc1cccn2c(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)cnc12 ZINC000608075708 460978676 /nfs/dbraw/zinc/97/86/76/460978676.db2.gz WKWMTBQZXCXCER-LJQANCHMSA-N 2 2 345.450 3.450 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183446 461035114 /nfs/dbraw/zinc/03/51/14/461035114.db2.gz BVWDQFRBATZTNV-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183446 461035120 /nfs/dbraw/zinc/03/51/20/461035120.db2.gz BVWDQFRBATZTNV-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ncc1Br ZINC000628183446 461035123 /nfs/dbraw/zinc/03/51/23/461035123.db2.gz BVWDQFRBATZTNV-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ncc1Br ZINC000628183446 461035126 /nfs/dbraw/zinc/03/51/26/461035126.db2.gz BVWDQFRBATZTNV-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP C[NH+](C)CC1(C(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)CCCCC1 ZINC000633522890 461102429 /nfs/dbraw/zinc/10/24/29/461102429.db2.gz ARUOSDDUQZQQAG-UHFFFAOYSA-N 2 2 340.471 3.205 10 0 EGAELP Cc1cn2ccc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2[nH+]1 ZINC000668154007 461139982 /nfs/dbraw/zinc/13/99/82/461139982.db2.gz BPZQXGUTCOSWPD-QGZVFWFLSA-N 2 2 341.459 3.125 10 0 EGAELP Cc1cn2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc2[nH+]1 ZINC000668156122 461142275 /nfs/dbraw/zinc/14/22/75/461142275.db2.gz JBAUJQDEGRYHRC-SJORKVTESA-N 2 2 341.459 3.122 10 0 EGAELP Cc1cn2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc2[nH+]1 ZINC000668156122 461142278 /nfs/dbraw/zinc/14/22/78/461142278.db2.gz JBAUJQDEGRYHRC-SJORKVTESA-N 2 2 341.459 3.122 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662262412 461150976 /nfs/dbraw/zinc/15/09/76/461150976.db2.gz FFKGJMMBMAEPBL-NVXWUHKLSA-N 2 2 345.512 3.408 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662262412 461150982 /nfs/dbraw/zinc/15/09/82/461150982.db2.gz FFKGJMMBMAEPBL-NVXWUHKLSA-N 2 2 345.512 3.408 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649587172 461197676 /nfs/dbraw/zinc/19/76/76/461197676.db2.gz CDIOMZJFFQSNCN-FXAWDEMLSA-N 2 2 349.519 3.095 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649587172 461197685 /nfs/dbraw/zinc/19/76/85/461197685.db2.gz CDIOMZJFFQSNCN-FXAWDEMLSA-N 2 2 349.519 3.095 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1CC1(C)C ZINC000662346043 461202839 /nfs/dbraw/zinc/20/28/39/461202839.db2.gz QQRZIDHBZXBYQM-UKRRQHHQSA-N 2 2 326.444 3.382 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1CC1(C)C ZINC000662346043 461202848 /nfs/dbraw/zinc/20/28/48/461202848.db2.gz QQRZIDHBZXBYQM-UKRRQHHQSA-N 2 2 326.444 3.382 10 0 EGAELP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000668298505 461234943 /nfs/dbraw/zinc/23/49/43/461234943.db2.gz AUSKPPQMLZRODB-LJQANCHMSA-N 2 2 327.472 3.163 10 0 EGAELP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000668298505 461234952 /nfs/dbraw/zinc/23/49/52/461234952.db2.gz AUSKPPQMLZRODB-LJQANCHMSA-N 2 2 327.472 3.163 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000641665615 461311170 /nfs/dbraw/zinc/31/11/70/461311170.db2.gz WUVCWGNQDKKILN-SFHVURJKSA-N 2 2 334.508 3.195 10 0 EGAELP COc1ccc(Oc2ccc(C[N@H+](C)CC3C[NH+](C)C3)cc2)cc1 ZINC000668539744 461321217 /nfs/dbraw/zinc/32/12/17/461321217.db2.gz KLMAGRZYWSAHIK-UHFFFAOYSA-N 2 2 326.440 3.481 10 0 EGAELP COc1ccc(Oc2ccc(C[N@@H+](C)CC3C[NH+](C)C3)cc2)cc1 ZINC000668539744 461321223 /nfs/dbraw/zinc/32/12/23/461321223.db2.gz KLMAGRZYWSAHIK-UHFFFAOYSA-N 2 2 326.440 3.481 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000655756776 461421941 /nfs/dbraw/zinc/42/19/41/461421941.db2.gz YCAUMMUKOYPRBW-BBRMVZONSA-N 2 2 331.485 3.200 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000642080405 461439919 /nfs/dbraw/zinc/43/99/19/461439919.db2.gz UDYYKLFLKPIQSF-LLVKDONJSA-N 2 2 325.391 3.146 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c21 ZINC000642080405 461439927 /nfs/dbraw/zinc/43/99/27/461439927.db2.gz UDYYKLFLKPIQSF-LLVKDONJSA-N 2 2 325.391 3.146 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906694 461444451 /nfs/dbraw/zinc/44/44/51/461444451.db2.gz AMVMVWPGEXMOAY-YVEFUNNKSA-N 2 2 346.381 3.135 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906694 461444457 /nfs/dbraw/zinc/44/44/57/461444457.db2.gz AMVMVWPGEXMOAY-YVEFUNNKSA-N 2 2 346.381 3.135 10 0 EGAELP COc1cncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000631044108 461495755 /nfs/dbraw/zinc/49/57/55/461495755.db2.gz JRXJAXGTKVVJMA-UHFFFAOYSA-N 2 2 343.446 3.292 10 0 EGAELP C[C@H](C[NH2+]Cc1ncc(Br)cc1Cl)Cn1cc[nH+]c1 ZINC000631053709 461506992 /nfs/dbraw/zinc/50/69/92/461506992.db2.gz HFDJSAJCJRAJBR-SNVBAGLBSA-N 2 2 343.656 3.120 10 0 EGAELP CC[NH+](CC)CC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631062753 461515847 /nfs/dbraw/zinc/51/58/47/461515847.db2.gz TYGJMNSSXUYTMB-UHFFFAOYSA-N 2 2 327.476 3.394 10 0 EGAELP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCc1ccccc1-2 ZINC000663472851 461661967 /nfs/dbraw/zinc/66/19/67/461661967.db2.gz SSHPQLXSOIYZPP-LJQANCHMSA-N 2 2 336.483 3.324 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631253188 461676990 /nfs/dbraw/zinc/67/69/90/461676990.db2.gz FEJYUKLRXUSUNU-HZPDHXFCSA-N 2 2 334.426 3.341 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502922 461748600 /nfs/dbraw/zinc/74/86/00/461748600.db2.gz VGUGIWRNXYNYAD-IINYFYTJSA-N 2 2 327.241 3.307 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400154 461755198 /nfs/dbraw/zinc/75/51/98/461755198.db2.gz IKQNJJVEWFJFKZ-INIZCTEOSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400154 461755202 /nfs/dbraw/zinc/75/52/02/461755202.db2.gz IKQNJJVEWFJFKZ-INIZCTEOSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400154 461755206 /nfs/dbraw/zinc/75/52/06/461755206.db2.gz IKQNJJVEWFJFKZ-INIZCTEOSA-N 2 2 332.410 3.142 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000660400154 461755210 /nfs/dbraw/zinc/75/52/10/461755210.db2.gz IKQNJJVEWFJFKZ-INIZCTEOSA-N 2 2 332.410 3.142 10 0 EGAELP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000647548932 461762767 /nfs/dbraw/zinc/76/27/67/461762767.db2.gz BAGLEUFMBFGYTH-APWZRJJASA-N 2 2 347.466 3.022 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553940 461763947 /nfs/dbraw/zinc/76/39/47/461763947.db2.gz NOXJDDACOPPAMA-HNNXBMFYSA-N 2 2 339.277 3.222 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647554296 461763991 /nfs/dbraw/zinc/76/39/91/461763991.db2.gz WFOJGUOPVHARLQ-OAHLLOKOSA-N 2 2 339.277 3.222 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647554295 461764864 /nfs/dbraw/zinc/76/48/64/461764864.db2.gz WFOJGUOPVHARLQ-HNNXBMFYSA-N 2 2 339.277 3.222 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3noc4c3CCCC4)C2)n2c1CCCC2 ZINC000669694788 461770559 /nfs/dbraw/zinc/77/05/59/461770559.db2.gz WDCNJTNPLBECBP-HNNXBMFYSA-N 2 2 340.471 3.466 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3noc4c3CCCC4)C2)n2c1CCCC2 ZINC000669694788 461770563 /nfs/dbraw/zinc/77/05/63/461770563.db2.gz WDCNJTNPLBECBP-HNNXBMFYSA-N 2 2 340.471 3.466 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190776 461792765 /nfs/dbraw/zinc/79/27/65/461792765.db2.gz CJFMYWQSJHUAKK-FVJLSDCUSA-N 3 2 336.483 3.225 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000639190776 461792773 /nfs/dbraw/zinc/79/27/73/461792773.db2.gz CJFMYWQSJHUAKK-FVJLSDCUSA-N 3 2 336.483 3.225 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000660534993 461838390 /nfs/dbraw/zinc/83/83/90/461838390.db2.gz ISKJMKBOTDXFGN-LPHOPBHVSA-N 2 2 340.458 3.249 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000660534993 461838383 /nfs/dbraw/zinc/83/83/83/461838383.db2.gz ISKJMKBOTDXFGN-LPHOPBHVSA-N 2 2 340.458 3.249 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@]3(C)CC3(F)F)c2cc1C ZINC000656714535 461855406 /nfs/dbraw/zinc/85/54/06/461855406.db2.gz IVLFDQRUNGKIKM-YOEHRIQHSA-N 2 2 337.414 3.039 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899566 461875176 /nfs/dbraw/zinc/87/51/76/461875176.db2.gz POJSXWKAWNPYAI-AQNXPRMDSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899566 461875178 /nfs/dbraw/zinc/87/51/78/461875178.db2.gz POJSXWKAWNPYAI-AQNXPRMDSA-N 2 2 343.515 3.108 10 0 EGAELP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901005 461877311 /nfs/dbraw/zinc/87/73/11/461877311.db2.gz INNSGRSDNUYPEL-PAQOUXTFSA-N 2 2 347.547 3.020 10 0 EGAELP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901005 461877318 /nfs/dbraw/zinc/87/73/18/461877318.db2.gz INNSGRSDNUYPEL-PAQOUXTFSA-N 2 2 347.547 3.020 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902857 461878251 /nfs/dbraw/zinc/87/82/51/461878251.db2.gz CTVSXNPNOBWCNC-RDJZCZTQSA-N 2 2 344.434 3.148 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902857 461878256 /nfs/dbraw/zinc/87/82/56/461878256.db2.gz CTVSXNPNOBWCNC-RDJZCZTQSA-N 2 2 344.434 3.148 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957074 461909069 /nfs/dbraw/zinc/90/90/69/461909069.db2.gz LQOWFEMWECMWRJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957074 461909072 /nfs/dbraw/zinc/90/90/72/461909072.db2.gz LQOWFEMWECMWRJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+]3CCCC3CC[NH2+]CC3)n2)cc1 ZINC000647990775 461927429 /nfs/dbraw/zinc/92/74/29/461927429.db2.gz GINBASJDXCUOAZ-SFHVURJKSA-N 2 2 339.487 3.388 10 0 EGAELP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+]3CCCC3CC[NH2+]CC3)n2)cc1 ZINC000647990775 461927434 /nfs/dbraw/zinc/92/74/34/461927434.db2.gz GINBASJDXCUOAZ-SFHVURJKSA-N 2 2 339.487 3.388 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000648000392 461929094 /nfs/dbraw/zinc/92/90/94/461929094.db2.gz GZUBIHWJCWLPGQ-UHFFFAOYSA-N 2 2 326.488 3.485 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000648000392 461929100 /nfs/dbraw/zinc/92/91/00/461929100.db2.gz GZUBIHWJCWLPGQ-UHFFFAOYSA-N 2 2 326.488 3.485 10 0 EGAELP c1cc(C[NH2+]Cc2cccnc2OC2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657307335 462032838 /nfs/dbraw/zinc/03/28/38/462032838.db2.gz AUDZXRUFJNOKLA-UHFFFAOYSA-N 2 2 349.438 3.274 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000648304140 462054485 /nfs/dbraw/zinc/05/44/85/462054485.db2.gz KDJMIHZZRWHDIQ-ZWKOTPCHSA-N 2 2 349.563 3.125 10 0 EGAELP CCCCN1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657348221 462062228 /nfs/dbraw/zinc/06/22/28/462062228.db2.gz OLBTXCMLZYADCZ-SFHVURJKSA-N 2 2 327.476 3.012 10 0 EGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cnn2c1CCC2 ZINC000657438450 462124654 /nfs/dbraw/zinc/12/46/54/462124654.db2.gz QYBZOLUHMQAVFD-LJQANCHMSA-N 2 2 326.488 3.076 10 0 EGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cnn2c1CCC2 ZINC000657438450 462124660 /nfs/dbraw/zinc/12/46/60/462124660.db2.gz QYBZOLUHMQAVFD-LJQANCHMSA-N 2 2 326.488 3.076 10 0 EGAELP COc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664658981 462142490 /nfs/dbraw/zinc/14/24/90/462142490.db2.gz UYBOHOPODJMWLO-INIZCTEOSA-N 2 2 343.471 3.099 10 0 EGAELP c1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667591431 462162232 /nfs/dbraw/zinc/16/22/32/462162232.db2.gz RYGKAAIIUIKKLS-HXUWFJFHSA-N 2 2 334.423 3.231 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CCC(F)(F)F)CC3)[C@H]21 ZINC000657788595 462266045 /nfs/dbraw/zinc/26/60/45/462266045.db2.gz JVIFJQHYFYZQSU-GVDBMIGSSA-N 2 2 342.380 3.470 10 0 EGAELP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676493 462298534 /nfs/dbraw/zinc/29/85/34/462298534.db2.gz BOGNGUAGTQFTAJ-QGZVFWFLSA-N 2 2 327.472 3.368 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676493 462298538 /nfs/dbraw/zinc/29/85/38/462298538.db2.gz BOGNGUAGTQFTAJ-QGZVFWFLSA-N 2 2 327.472 3.368 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)C[NH+]1CCOCC1 ZINC000651720186 462314849 /nfs/dbraw/zinc/31/48/49/462314849.db2.gz SKFLNXZPUZOFHR-SWLSCSKDSA-N 2 2 326.843 3.024 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000648890067 462319295 /nfs/dbraw/zinc/31/92/95/462319295.db2.gz BTDXEYNYTBOUFU-HZPDHXFCSA-N 2 2 343.475 3.367 10 0 EGAELP Cc1ccnc(OC2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667964914 462350342 /nfs/dbraw/zinc/35/03/42/462350342.db2.gz UYXIZPWGZIFALC-UHFFFAOYSA-N 2 2 349.438 3.014 10 0 EGAELP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034196 462352979 /nfs/dbraw/zinc/35/29/79/462352979.db2.gz DGYJLDKNVPARFZ-OAHLLOKOSA-N 2 2 336.277 3.336 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)n1-c1ccccc1 ZINC000651884873 462369775 /nfs/dbraw/zinc/36/97/75/462369775.db2.gz RFKFAMZDJIZJKV-QFIPXVFZSA-N 2 2 347.462 3.147 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000665255879 462372441 /nfs/dbraw/zinc/37/24/41/462372441.db2.gz GUQBSTPQWWTRHS-UAOJZALGSA-N 2 2 326.440 3.197 10 0 EGAELP COc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccc(F)cc2)cc1 ZINC000665278903 462381757 /nfs/dbraw/zinc/38/17/57/462381757.db2.gz RGYSZUADWIQJCG-JFUAUVDRSA-N 2 2 326.415 3.265 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1F ZINC000658226502 462435289 /nfs/dbraw/zinc/43/52/89/462435289.db2.gz CASVEKCOBYFAAG-YOEHRIQHSA-N 2 2 335.467 3.362 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415199 462503357 /nfs/dbraw/zinc/50/33/57/462503357.db2.gz PCQYERJMZGLVMW-WBVHZDCISA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415199 462503362 /nfs/dbraw/zinc/50/33/62/462503362.db2.gz PCQYERJMZGLVMW-WBVHZDCISA-N 2 2 329.419 3.445 10 0 EGAELP Cc1cc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C(C)C ZINC000662157836 462533045 /nfs/dbraw/zinc/53/30/45/462533045.db2.gz RYRGXHOCICIZNI-IBGZPJMESA-N 2 2 346.515 3.028 10 0 EGAELP Cc1cc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1C(C)C ZINC000662157836 462533046 /nfs/dbraw/zinc/53/30/46/462533046.db2.gz RYRGXHOCICIZNI-IBGZPJMESA-N 2 2 346.515 3.028 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444577 527756975 /nfs/dbraw/zinc/75/69/75/527756975.db2.gz JHJSDWUUCLUUSU-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444577 527756983 /nfs/dbraw/zinc/75/69/83/527756983.db2.gz JHJSDWUUCLUUSU-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444577 527756985 /nfs/dbraw/zinc/75/69/85/527756985.db2.gz JHJSDWUUCLUUSU-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444577 527756988 /nfs/dbraw/zinc/75/69/88/527756988.db2.gz JHJSDWUUCLUUSU-YLJYHZDGSA-N 2 2 326.488 3.094 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265476855 535534049 /nfs/dbraw/zinc/53/40/49/535534049.db2.gz JQIAUXUXJFDAPD-AWEZNQCLSA-N 2 2 342.443 3.015 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000080947618 546602791 /nfs/dbraw/zinc/60/27/91/546602791.db2.gz VHSHIBJURJZZIB-UHFFFAOYSA-N 2 2 327.476 3.359 10 0 EGAELP C[C@@H](c1ccco1)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000128043751 546775979 /nfs/dbraw/zinc/77/59/79/546775979.db2.gz JKYFBQIEYVVTKY-QFBILLFUSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@@H](c1ccco1)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000128043751 546775983 /nfs/dbraw/zinc/77/59/83/546775983.db2.gz JKYFBQIEYVVTKY-QFBILLFUSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@@H](c1ccco1)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000128043751 546775989 /nfs/dbraw/zinc/77/59/89/546775989.db2.gz JKYFBQIEYVVTKY-QFBILLFUSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@@H](c1ccco1)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000128043751 546775994 /nfs/dbraw/zinc/77/59/94/546775994.db2.gz JKYFBQIEYVVTKY-QFBILLFUSA-N 2 2 328.456 3.298 10 0 EGAELP CC(C)c1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nc(C(C)C)[nH+]1 ZINC000161941937 546961394 /nfs/dbraw/zinc/96/13/94/546961394.db2.gz OLJNUJQUXJEPLM-INIZCTEOSA-N 2 2 348.535 3.252 10 0 EGAELP CC1(C)OCc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188414761 547148966 /nfs/dbraw/zinc/14/89/66/547148966.db2.gz XBXAKQSDJZFOME-KRWDZBQOSA-N 2 2 327.428 3.193 10 0 EGAELP CC1(C)OCc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188414761 547148969 /nfs/dbraw/zinc/14/89/69/547148969.db2.gz XBXAKQSDJZFOME-KRWDZBQOSA-N 2 2 327.428 3.193 10 0 EGAELP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000414840689 547860870 /nfs/dbraw/zinc/86/08/70/547860870.db2.gz GYPMBRKQVYEHAX-MRXNPFEDSA-N 2 2 340.393 3.358 10 0 EGAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671245630 548268283 /nfs/dbraw/zinc/26/82/83/548268283.db2.gz FFGXQNJGUVZJBC-FQEVSTJZSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671245630 548268285 /nfs/dbraw/zinc/26/82/85/548268285.db2.gz FFGXQNJGUVZJBC-FQEVSTJZSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245630 548268288 /nfs/dbraw/zinc/26/82/88/548268288.db2.gz FFGXQNJGUVZJBC-FQEVSTJZSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245630 548268290 /nfs/dbraw/zinc/26/82/90/548268290.db2.gz FFGXQNJGUVZJBC-FQEVSTJZSA-N 2 2 326.484 3.346 10 0 EGAELP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231792 548706809 /nfs/dbraw/zinc/70/68/09/548706809.db2.gz PRYNHAIMPUBEKK-UTKZUKDTSA-N 2 2 342.483 3.268 10 0 EGAELP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231792 548706810 /nfs/dbraw/zinc/70/68/10/548706810.db2.gz PRYNHAIMPUBEKK-UTKZUKDTSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231792 548706812 /nfs/dbraw/zinc/70/68/12/548706812.db2.gz PRYNHAIMPUBEKK-UTKZUKDTSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000674231792 548706813 /nfs/dbraw/zinc/70/68/13/548706813.db2.gz PRYNHAIMPUBEKK-UTKZUKDTSA-N 2 2 342.483 3.268 10 0 EGAELP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919331 549005075 /nfs/dbraw/zinc/00/50/75/549005075.db2.gz HNWCGMQMPKNHAC-RTBURBONSA-N 2 2 327.472 3.499 10 0 EGAELP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675918861 549005484 /nfs/dbraw/zinc/00/54/84/549005484.db2.gz HNWCGMQMPKNHAC-MOPGFXCFSA-N 2 2 327.472 3.499 10 0 EGAELP COc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]c1 ZINC000676201317 549053749 /nfs/dbraw/zinc/05/37/49/549053749.db2.gz QBTSSECNAZDPMA-UHFFFAOYSA-N 2 2 327.428 3.177 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632818 549120268 /nfs/dbraw/zinc/12/02/68/549120268.db2.gz UHJSRGZPMZHUGJ-SFTDATJTSA-N 2 2 340.467 3.022 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632818 549120270 /nfs/dbraw/zinc/12/02/70/549120270.db2.gz UHJSRGZPMZHUGJ-SFTDATJTSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632818 549120272 /nfs/dbraw/zinc/12/02/72/549120272.db2.gz UHJSRGZPMZHUGJ-SFTDATJTSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676632818 549120274 /nfs/dbraw/zinc/12/02/74/549120274.db2.gz UHJSRGZPMZHUGJ-SFTDATJTSA-N 2 2 340.467 3.022 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000678277811 549455633 /nfs/dbraw/zinc/45/56/33/549455633.db2.gz FICJOMONOJCLMS-QAPCUYQASA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000678277811 549455635 /nfs/dbraw/zinc/45/56/35/549455635.db2.gz FICJOMONOJCLMS-QAPCUYQASA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277811 549455636 /nfs/dbraw/zinc/45/56/36/549455636.db2.gz FICJOMONOJCLMS-QAPCUYQASA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277811 549455637 /nfs/dbraw/zinc/45/56/37/549455637.db2.gz FICJOMONOJCLMS-QAPCUYQASA-N 2 2 346.906 3.499 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)[nH+]c12 ZINC000682732067 550137752 /nfs/dbraw/zinc/13/77/52/550137752.db2.gz DHQFKTXPWNVCAB-YTQUADARSA-N 2 2 327.472 3.370 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000684411909 550326779 /nfs/dbraw/zinc/32/67/79/550326779.db2.gz BELHOYXBKRGNKR-PRLABOORSA-N 2 2 334.426 3.339 10 0 EGAELP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246432638 1296353503 /nfs/dbraw/zinc/35/35/03/1296353503.db2.gz DGNNOCRTGLFIEI-HNAYVOBHSA-N 2 2 339.418 3.426 10 0 EGAELP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246432638 1296353515 /nfs/dbraw/zinc/35/35/15/1296353515.db2.gz DGNNOCRTGLFIEI-HNAYVOBHSA-N 2 2 339.418 3.426 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCO[C@@H](C(C)(C)C)C3)[nH+]c2)C1 ZINC000872058027 1296705444 /nfs/dbraw/zinc/70/54/44/1296705444.db2.gz MIAKNTYBSWLQHG-CGTJXYLNSA-N 2 2 346.519 3.228 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000872147924 1296766386 /nfs/dbraw/zinc/76/63/86/1296766386.db2.gz LVIOZGNYZVULSV-GOEBONIOSA-N 2 2 342.405 3.383 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000872147924 1296766400 /nfs/dbraw/zinc/76/64/00/1296766400.db2.gz LVIOZGNYZVULSV-GOEBONIOSA-N 2 2 342.405 3.383 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872149861 1296770817 /nfs/dbraw/zinc/77/08/17/1296770817.db2.gz RMQSEZMHOILVMJ-CMPLNLGQSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872149861 1296770820 /nfs/dbraw/zinc/77/08/20/1296770820.db2.gz RMQSEZMHOILVMJ-CMPLNLGQSA-N 2 2 342.283 3.154 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310066040 1297086940 /nfs/dbraw/zinc/08/69/40/1297086940.db2.gz BLGWECMGPUAZHJ-FQEVSTJZSA-N 3 2 329.532 3.361 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310066040 1297086949 /nfs/dbraw/zinc/08/69/49/1297086949.db2.gz BLGWECMGPUAZHJ-FQEVSTJZSA-N 3 2 329.532 3.361 10 0 EGAELP COCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575316303 1297998828 /nfs/dbraw/zinc/99/88/28/1297998828.db2.gz CEJKLQFNNLCGNQ-OAHLLOKOSA-N 2 2 335.398 3.106 10 0 EGAELP COCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575316303 1297998843 /nfs/dbraw/zinc/99/88/43/1297998843.db2.gz CEJKLQFNNLCGNQ-OAHLLOKOSA-N 2 2 335.398 3.106 10 0 EGAELP Cc1c[nH+]c(CCNC(=O)C[NH+]2CCCCCC2)n1C1CCCCC1 ZINC000581815282 1298020091 /nfs/dbraw/zinc/02/00/91/1298020091.db2.gz BUIRYQRRCLKVPE-UHFFFAOYSA-N 2 2 346.519 3.231 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396445 1299970575 /nfs/dbraw/zinc/97/05/75/1299970575.db2.gz IKNNVCWTSQFAGP-QFBILLFUSA-N 2 2 341.455 3.109 10 0 EGAELP Cn1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C(C)(C)C)n1 ZINC000895110623 1309195432 /nfs/dbraw/zinc/19/54/32/1309195432.db2.gz RDFASGVGWMKLNI-QAQDUYKDSA-N 2 2 341.503 3.389 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000895112880 1309196948 /nfs/dbraw/zinc/19/69/48/1309196948.db2.gz TZWZLYVDMOBJPV-KBUPBQIOSA-N 2 2 343.393 3.268 10 0 EGAELP C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719011 1328676864 /nfs/dbraw/zinc/67/68/64/1328676864.db2.gz LNZQOZSPNOOXIR-DLBZAZTESA-N 2 2 330.472 3.019 10 0 EGAELP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719011 1328676868 /nfs/dbraw/zinc/67/68/68/1328676868.db2.gz LNZQOZSPNOOXIR-DLBZAZTESA-N 2 2 330.472 3.019 10 0 EGAELP CCc1onc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000930277071 1328824810 /nfs/dbraw/zinc/82/48/10/1328824810.db2.gz APLLIHVYCMKEPE-HDICACEKSA-N 2 2 325.456 3.109 10 0 EGAELP CCc1onc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000930277071 1328824811 /nfs/dbraw/zinc/82/48/11/1328824811.db2.gz APLLIHVYCMKEPE-HDICACEKSA-N 2 2 325.456 3.109 10 0 EGAELP CCc1onc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000930277071 1328824814 /nfs/dbraw/zinc/82/48/14/1328824814.db2.gz APLLIHVYCMKEPE-HDICACEKSA-N 2 2 325.456 3.109 10 0 EGAELP CCc1onc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000930277071 1328824816 /nfs/dbraw/zinc/82/48/16/1328824816.db2.gz APLLIHVYCMKEPE-HDICACEKSA-N 2 2 325.456 3.109 10 0 EGAELP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629261 1322575053 /nfs/dbraw/zinc/57/50/53/1322575053.db2.gz VDOKEZAVIGYXMR-QFBILLFUSA-N 2 2 325.456 3.230 10 0 EGAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)ccc1-n1cc[nH+]c1 ZINC000922893239 1322643093 /nfs/dbraw/zinc/64/30/93/1322643093.db2.gz TVBOVDLAUPYLCE-APWZRJJASA-N 2 2 329.419 3.306 10 0 EGAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)ccc1-n1cc[nH+]c1 ZINC000922893243 1322643103 /nfs/dbraw/zinc/64/31/03/1322643103.db2.gz TVBOVDLAUPYLCE-QFBILLFUSA-N 2 2 329.419 3.306 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924555228 1323054411 /nfs/dbraw/zinc/05/44/11/1323054411.db2.gz YZLXQUPOYXNALP-IEBWSBKVSA-N 2 2 326.488 3.341 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924555228 1323054419 /nfs/dbraw/zinc/05/44/19/1323054419.db2.gz YZLXQUPOYXNALP-IEBWSBKVSA-N 2 2 326.488 3.341 10 0 EGAELP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000924730718 1323137435 /nfs/dbraw/zinc/13/74/35/1323137435.db2.gz GKUMBNYEUAFIHB-MRXNPFEDSA-N 2 2 348.491 3.185 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925002715 1323242827 /nfs/dbraw/zinc/24/28/27/1323242827.db2.gz SVTSOFZJCAJGDS-PXNSSMCTSA-N 2 2 345.531 3.272 10 0 EGAELP C[NH+](C)C1(C)CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000931347859 1329099510 /nfs/dbraw/zinc/09/95/10/1329099510.db2.gz BIHLLSIUSKPJJW-SFHVURJKSA-N 2 2 348.531 3.140 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000931707092 1329168115 /nfs/dbraw/zinc/16/81/15/1329168115.db2.gz MYFPMIPYIMJIDG-JYJNAYRXSA-N 2 2 339.361 3.324 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925222579 1325085921 /nfs/dbraw/zinc/08/59/21/1325085921.db2.gz RWVOJBZCQMSUBQ-DLBZAZTESA-N 2 2 347.469 3.257 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925222579 1325085926 /nfs/dbraw/zinc/08/59/26/1325085926.db2.gz RWVOJBZCQMSUBQ-DLBZAZTESA-N 2 2 347.469 3.257 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495285 1325176182 /nfs/dbraw/zinc/17/61/82/1325176182.db2.gz TWQRCQVVVYRPIK-HSALFYBXSA-N 3 2 327.516 3.017 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1c(Cl)cccc1Cl ZINC000925579661 1325217806 /nfs/dbraw/zinc/21/78/06/1325217806.db2.gz GPSRZBBEGHXSCJ-KBPBESRZSA-N 2 2 329.271 3.291 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925592614 1325224599 /nfs/dbraw/zinc/22/45/99/1325224599.db2.gz XMCFZWVRTJEHRY-LKUPVBHCSA-N 2 2 343.515 3.402 10 0 EGAELP c1nc2ccccc2n1Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925594497 1325226502 /nfs/dbraw/zinc/22/65/02/1325226502.db2.gz NGJFJHJYFARKLB-OAQYLSRUSA-N 2 2 346.478 3.459 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000925619122 1325233258 /nfs/dbraw/zinc/23/32/58/1325233258.db2.gz XTBQIWVEBLTOLR-VDGAXYAQSA-N 2 2 344.499 3.186 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000925728904 1325272050 /nfs/dbraw/zinc/27/20/50/1325272050.db2.gz FNJZMBSKTFERBG-RXVVDRJESA-N 2 2 343.515 3.446 10 0 EGAELP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000925796974 1325306280 /nfs/dbraw/zinc/30/62/80/1325306280.db2.gz NLAOUPGRTFFBMG-MJGOQNOKSA-N 2 2 344.499 3.265 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925858924 1325334743 /nfs/dbraw/zinc/33/47/43/1325334743.db2.gz PCMCZABXNAQOTA-XJKSGUPXSA-N 2 2 338.377 3.207 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(Cl)c1 ZINC000926314124 1325512863 /nfs/dbraw/zinc/51/28/63/1325512863.db2.gz GRBFRISGDHESOD-IXDOHACOSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(Cl)c1 ZINC000926314124 1325512871 /nfs/dbraw/zinc/51/28/71/1325512871.db2.gz GRBFRISGDHESOD-IXDOHACOSA-N 2 2 326.843 3.119 10 0 EGAELP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926425480 1325550250 /nfs/dbraw/zinc/55/02/50/1325550250.db2.gz YVOLWMOSTDNPAK-KSSFIOAISA-N 2 2 330.451 3.312 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000926856172 1327742690 /nfs/dbraw/zinc/74/26/90/1327742690.db2.gz RCPCPIIZZMJXAZ-PCCBWWKXSA-N 2 2 343.515 3.444 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000926856172 1327742695 /nfs/dbraw/zinc/74/26/95/1327742695.db2.gz RCPCPIIZZMJXAZ-PCCBWWKXSA-N 2 2 343.515 3.444 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CCOCC1 ZINC000926957536 1327795692 /nfs/dbraw/zinc/79/56/92/1327795692.db2.gz JGLSWIIZCLRDPF-GOSISDBHSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CCOCC1 ZINC000926957536 1327795699 /nfs/dbraw/zinc/79/56/99/1327795699.db2.gz JGLSWIIZCLRDPF-GOSISDBHSA-N 2 2 346.515 3.072 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C)C[NH+](C)C ZINC000926960252 1327797194 /nfs/dbraw/zinc/79/71/94/1327797194.db2.gz FXZJLZVTSOOUKK-XJKSGUPXSA-N 2 2 348.516 3.131 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+](C)C ZINC000926965686 1327801617 /nfs/dbraw/zinc/80/16/17/1327801617.db2.gz SCISGIHBYQPGSR-JXFKEZNVSA-N 2 2 327.472 3.366 10 0 EGAELP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103912 1327864467 /nfs/dbraw/zinc/86/44/67/1327864467.db2.gz GUQCYJICRBKHOC-MAUKXSAKSA-N 2 2 334.529 3.182 10 0 EGAELP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927103912 1327864472 /nfs/dbraw/zinc/86/44/72/1327864472.db2.gz GUQCYJICRBKHOC-MAUKXSAKSA-N 2 2 334.529 3.182 10 0 EGAELP Cc1c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccnc1F ZINC000862291839 1329474192 /nfs/dbraw/zinc/47/41/92/1329474192.db2.gz UMXIKSLTCQHURU-HNNXBMFYSA-N 2 2 328.435 3.239 10 0 EGAELP Cc1c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccnc1F ZINC000862351984 1329476749 /nfs/dbraw/zinc/47/67/49/1329476749.db2.gz XTCHSTFTBAVJLR-UHFFFAOYSA-N 2 2 345.384 3.424 10 0 EGAELP c1ccc(C2([NH+]3CCCC3)CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000933549291 1329899909 /nfs/dbraw/zinc/89/99/09/1329899909.db2.gz FWQFOGGMRCBINU-UHFFFAOYSA-N 2 2 336.483 3.106 10 0 EGAELP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866392443 1330105597 /nfs/dbraw/zinc/10/55/97/1330105597.db2.gz DELDXZGHJFYYGB-WNYOCNMUSA-N 2 2 332.463 3.292 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000866705903 1330142837 /nfs/dbraw/zinc/14/28/37/1330142837.db2.gz JGGSPNJITHIVOW-LJQANCHMSA-N 2 2 330.451 3.208 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000866705903 1330142838 /nfs/dbraw/zinc/14/28/38/1330142838.db2.gz JGGSPNJITHIVOW-LJQANCHMSA-N 2 2 330.451 3.208 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706988 1330143565 /nfs/dbraw/zinc/14/35/65/1330143565.db2.gz RWIAFZYVDRAADB-LPHOPBHVSA-N 2 2 349.906 3.142 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706988 1330143566 /nfs/dbraw/zinc/14/35/66/1330143566.db2.gz RWIAFZYVDRAADB-LPHOPBHVSA-N 2 2 349.906 3.142 10 0 EGAELP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001323157520 1387303843 /nfs/dbraw/zinc/30/38/43/1387303843.db2.gz DONGTWOGFSNUEL-FUHWJXTLSA-N 2 2 348.535 3.006 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001323670941 1387421392 /nfs/dbraw/zinc/42/13/92/1387421392.db2.gz VZMJALUBFPOLMQ-YQQQUEKLSA-N 2 2 346.519 3.355 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC001198790744 1369115109 /nfs/dbraw/zinc/11/51/09/1369115109.db2.gz NPSUAVZEKOISIG-FUHWJXTLSA-N 2 2 335.492 3.361 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC001198790744 1369115120 /nfs/dbraw/zinc/11/51/20/1369115120.db2.gz NPSUAVZEKOISIG-FUHWJXTLSA-N 2 2 335.492 3.361 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001326834726 1388325569 /nfs/dbraw/zinc/32/55/69/1388325569.db2.gz MPVUFBKNHJIMOT-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001326834726 1388325575 /nfs/dbraw/zinc/32/55/75/1388325575.db2.gz MPVUFBKNHJIMOT-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157804 1388412686 /nfs/dbraw/zinc/41/26/86/1388412686.db2.gz VCBDGILIAKKGHJ-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP 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VBYXXHVDXCJURL-JKSUJKDBSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001712975242 1417528088 /nfs/dbraw/zinc/52/80/88/1417528088.db2.gz VBYXXHVDXCJURL-JKSUJKDBSA-N 2 2 346.450 3.173 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001713026607 1417578195 /nfs/dbraw/zinc/57/81/95/1417578195.db2.gz SMPJWMIUCWSKIU-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001713026607 1417578196 /nfs/dbraw/zinc/57/81/96/1417578196.db2.gz SMPJWMIUCWSKIU-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001733077511 1429231854 /nfs/dbraw/zinc/23/18/54/1429231854.db2.gz TVDDJPSIBWJVOD-IAGOWNOFSA-N 2 2 342.487 3.259 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001713457191 1418110205 /nfs/dbraw/zinc/11/02/05/1418110205.db2.gz QVCMKJMXOKQTQV-LJQANCHMSA-N 2 2 348.535 3.489 10 0 EGAELP 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ZINC001724845503 1425196086 /nfs/dbraw/zinc/19/60/86/1425196086.db2.gz DBZSZWWUMQDXCB-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001724845503 1425196089 /nfs/dbraw/zinc/19/60/89/1425196089.db2.gz DBZSZWWUMQDXCB-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP CC1([NH2+]CCCC2CCC2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001724963212 1425352409 /nfs/dbraw/zinc/35/24/09/1425352409.db2.gz LZJCYBFNBKXZJO-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCCCF ZINC001724991453 1425394189 /nfs/dbraw/zinc/39/41/89/1425394189.db2.gz HESFAKKRFPOQNI-ZBFHGGJFSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCCCF ZINC001724991453 1425394195 /nfs/dbraw/zinc/39/41/95/1425394195.db2.gz HESFAKKRFPOQNI-ZBFHGGJFSA-N 2 2 346.450 3.285 10 0 EGAELP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725043226 1425470440 /nfs/dbraw/zinc/47/04/40/1425470440.db2.gz VBTMOXISUKBXSP-QZTJIDSGSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725043226 1425470442 /nfs/dbraw/zinc/47/04/42/1425470442.db2.gz VBTMOXISUKBXSP-QZTJIDSGSA-N 2 2 334.508 3.193 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCC2=CCCCC2)c[nH+]1 ZINC001725180672 1425705318 /nfs/dbraw/zinc/70/53/18/1425705318.db2.gz WNAZDSFVZATETB-KRWDZBQOSA-N 2 2 346.519 3.254 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCC2=CCCCC2)c[nH+]1 ZINC001725180672 1425705323 /nfs/dbraw/zinc/70/53/23/1425705323.db2.gz WNAZDSFVZATETB-KRWDZBQOSA-N 2 2 346.519 3.254 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001725197078 1425751599 /nfs/dbraw/zinc/75/15/99/1425751599.db2.gz SANQUEFVWQDANF-DOTOQJQBSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001725197078 1425751603 /nfs/dbraw/zinc/75/16/03/1425751603.db2.gz SANQUEFVWQDANF-DOTOQJQBSA-N 2 2 342.487 3.075 10 0 EGAELP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001725231512 1425805563 /nfs/dbraw/zinc/80/55/63/1425805563.db2.gz BFOZPHAUJIYPDJ-IAGOWNOFSA-N 2 2 348.535 3.146 10 0 EGAELP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725234461 1425816469 /nfs/dbraw/zinc/81/64/69/1425816469.db2.gz QABOUVJJRREBCX-BTKRWWFXSA-N 2 2 334.851 3.194 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001725364183 1426014083 /nfs/dbraw/zinc/01/40/83/1426014083.db2.gz NMYGUASCINVIHD-ZMMAXQRCSA-N 2 2 340.471 3.080 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612384 1426273239 /nfs/dbraw/zinc/27/32/39/1426273239.db2.gz VYMFCFCNDKVVOR-SYNHAJSKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612384 1426273248 /nfs/dbraw/zinc/27/32/48/1426273248.db2.gz VYMFCFCNDKVVOR-SYNHAJSKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001725612384 1426273256 /nfs/dbraw/zinc/27/32/56/1426273256.db2.gz VYMFCFCNDKVVOR-SYNHAJSKSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001725612384 1426273259 /nfs/dbraw/zinc/27/32/59/1426273259.db2.gz VYMFCFCNDKVVOR-SYNHAJSKSA-N 2 2 346.519 3.138 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725775547 1426459513 /nfs/dbraw/zinc/45/95/13/1426459513.db2.gz LUZNWFPICWCWLO-IRXDYDNUSA-N 2 2 348.535 3.487 10 0 EGAELP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001731254890 1427206097 /nfs/dbraw/zinc/20/60/97/1427206097.db2.gz XVYQGMRNCJYPAL-POHAHGRESA-N 2 2 348.450 3.099 10 0 EGAELP C[N@H+](C/C=C\c1ccccc1)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001731254890 1427206102 /nfs/dbraw/zinc/20/61/02/1427206102.db2.gz XVYQGMRNCJYPAL-POHAHGRESA-N 2 2 348.450 3.099 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001731291785 1427233680 /nfs/dbraw/zinc/23/36/80/1427233680.db2.gz GSPNAQPDFMSJEH-FUHWJXTLSA-N 2 2 348.535 3.148 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731415762 1427385623 /nfs/dbraw/zinc/38/56/23/1427385623.db2.gz HZKRWLXKOMECER-KRWDZBQOSA-N 2 2 340.471 3.085 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731415762 1427385630 /nfs/dbraw/zinc/38/56/30/1427385630.db2.gz HZKRWLXKOMECER-KRWDZBQOSA-N 2 2 340.471 3.085 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731478685 1427455467 /nfs/dbraw/zinc/45/54/67/1427455467.db2.gz DTOUKTYJLXKTAG-OTWHNJEPSA-N 2 2 346.519 3.287 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731532499 1427523795 /nfs/dbraw/zinc/52/37/95/1427523795.db2.gz XCRKMWIOAKOAQN-LXXRFIIISA-N 2 2 346.519 3.262 10 0 EGAELP C[C@H](CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001731572387 1427614045 /nfs/dbraw/zinc/61/40/45/1427614045.db2.gz YKGYTBIKNMROEK-IPJUCJBFSA-N 2 2 340.471 3.051 10 0 EGAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC1CCCCCC1 ZINC001731624802 1427674838 /nfs/dbraw/zinc/67/48/38/1427674838.db2.gz WDDAZNILGUTRQT-IRXDYDNUSA-N 2 2 334.508 3.289 10 0 EGAELP CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCC(C)(C)C ZINC001731867428 1428116788 /nfs/dbraw/zinc/11/67/88/1428116788.db2.gz SCSSQVXZLBGPBW-UHFFFAOYSA-N 2 2 336.524 3.191 10 0 EGAELP CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCC(C)(C)C ZINC001731867428 1428116793 /nfs/dbraw/zinc/11/67/93/1428116793.db2.gz SCSSQVXZLBGPBW-UHFFFAOYSA-N 2 2 336.524 3.191 10 0 EGAELP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001731959168 1428183695 /nfs/dbraw/zinc/18/36/95/1428183695.db2.gz JLBOCERIHUILHQ-GOSISDBHSA-N 2 2 342.487 3.008 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)CC1 ZINC001733690819 1429907628 /nfs/dbraw/zinc/90/76/28/1429907628.db2.gz ROXWNJHCPGLEQL-IYARVYRRSA-N 2 2 346.519 3.187 10 0 EGAELP CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001733869927 1437696369 /nfs/dbraw/zinc/69/63/69/1437696369.db2.gz UEROYGPHOVTDIE-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001733974541 1437774560 /nfs/dbraw/zinc/77/45/60/1437774560.db2.gz VQQPVIOGDYCGQY-CVEARBPZSA-N 2 2 342.487 3.319 10 0 EGAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001733985695 1437781916 /nfs/dbraw/zinc/78/19/16/1437781916.db2.gz PSWNWZWJKOEIKH-DLBZAZTESA-N 2 2 334.508 3.117 10 0 EGAELP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001734192535 1437933948 /nfs/dbraw/zinc/93/39/48/1437933948.db2.gz FXXXFVBASICEDZ-GBESFXJTSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001734192535 1437933954 /nfs/dbraw/zinc/93/39/54/1437933954.db2.gz FXXXFVBASICEDZ-GBESFXJTSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001734392310 1438079460 /nfs/dbraw/zinc/07/94/60/1438079460.db2.gz AJUFZOXEKUTWME-APWZRJJASA-N 2 2 340.471 3.255 10 0 EGAELP CC(C)=CC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734561848 1438159326 /nfs/dbraw/zinc/15/93/26/1438159326.db2.gz RNOFGZKLWJFGTD-KRWDZBQOSA-N 2 2 342.487 3.343 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001734613674 1438187557 /nfs/dbraw/zinc/18/75/57/1438187557.db2.gz RZPBTXFTBLKIDG-VQIMIIECSA-N 2 2 346.519 3.097 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000189753782 237215819 /nfs/dbraw/zinc/21/58/19/237215819.db2.gz MGHNKWFMYCZHJA-DLBZAZTESA-N 2 2 346.381 3.235 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000189753782 237215829 /nfs/dbraw/zinc/21/58/29/237215829.db2.gz MGHNKWFMYCZHJA-DLBZAZTESA-N 2 2 346.381 3.235 10 0 EGAELP Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000415039152 309115821 /nfs/dbraw/zinc/11/58/21/309115821.db2.gz IXNZDSAVEGSVRI-TZMCWYRMSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000415039152 309115822 /nfs/dbraw/zinc/11/58/22/309115822.db2.gz IXNZDSAVEGSVRI-TZMCWYRMSA-N 2 2 339.277 3.119 10 0 EGAELP c1ccc(NC[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]c1 ZINC000092812605 218170428 /nfs/dbraw/zinc/17/04/28/218170428.db2.gz LNJIFOLHSLVHPW-GOSISDBHSA-N 2 2 337.471 3.011 10 0 EGAELP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]c1 ZINC000092812605 218170431 /nfs/dbraw/zinc/17/04/31/218170431.db2.gz LNJIFOLHSLVHPW-GOSISDBHSA-N 2 2 337.471 3.011 10 0 EGAELP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812436 218170628 /nfs/dbraw/zinc/17/06/28/218170628.db2.gz IOIOEIOMBIFYET-KRWDZBQOSA-N 2 2 327.476 3.239 10 0 EGAELP CCCn1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812436 218170631 /nfs/dbraw/zinc/17/06/31/218170631.db2.gz IOIOEIOMBIFYET-KRWDZBQOSA-N 2 2 327.476 3.239 10 0 EGAELP COCCOc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812813 218170839 /nfs/dbraw/zinc/17/08/39/218170839.db2.gz GJOZTRCPICJITH-QGZVFWFLSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812813 218170842 /nfs/dbraw/zinc/17/08/42/218170842.db2.gz GJOZTRCPICJITH-QGZVFWFLSA-N 2 2 341.455 3.041 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643952 218238446 /nfs/dbraw/zinc/23/84/46/218238446.db2.gz DZKOOQURSTVWKQ-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643952 218238449 /nfs/dbraw/zinc/23/84/49/218238449.db2.gz DZKOOQURSTVWKQ-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643952 218238452 /nfs/dbraw/zinc/23/84/52/218238452.db2.gz DZKOOQURSTVWKQ-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(F)F)c1 ZINC000093643952 218238454 /nfs/dbraw/zinc/23/84/54/218238454.db2.gz DZKOOQURSTVWKQ-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1OC(F)F ZINC000093644275 218239086 /nfs/dbraw/zinc/23/90/86/218239086.db2.gz LRHRRPZBJKBUAU-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1OC(F)F ZINC000093644275 218239089 /nfs/dbraw/zinc/23/90/89/218239089.db2.gz LRHRRPZBJKBUAU-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093644275 218239092 /nfs/dbraw/zinc/23/90/92/218239092.db2.gz LRHRRPZBJKBUAU-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093644275 218239094 /nfs/dbraw/zinc/23/90/94/218239094.db2.gz LRHRRPZBJKBUAU-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCO1 ZINC000328628804 258031112 /nfs/dbraw/zinc/03/11/12/258031112.db2.gz HNZMPDICPZDEDQ-BVSRCJTMSA-N 2 2 329.419 3.315 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000246769069 141033165 /nfs/dbraw/zinc/03/31/65/141033165.db2.gz RDOKURGXQNPMOB-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000246769069 141033167 /nfs/dbraw/zinc/03/31/67/141033167.db2.gz RDOKURGXQNPMOB-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246925813 141043978 /nfs/dbraw/zinc/04/39/78/141043978.db2.gz SUUAJXHSLBOUQN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246925813 141043979 /nfs/dbraw/zinc/04/39/79/141043979.db2.gz SUUAJXHSLBOUQN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246925813 141043980 /nfs/dbraw/zinc/04/39/80/141043980.db2.gz SUUAJXHSLBOUQN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246925813 141043981 /nfs/dbraw/zinc/04/39/81/141043981.db2.gz SUUAJXHSLBOUQN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820678 141151144 /nfs/dbraw/zinc/15/11/44/141151144.db2.gz KEMDCULNVOSIHK-YJBOKZPZSA-N 2 2 348.853 3.360 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820678 141151145 /nfs/dbraw/zinc/15/11/45/141151145.db2.gz KEMDCULNVOSIHK-YJBOKZPZSA-N 2 2 348.853 3.360 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000346208966 141181291 /nfs/dbraw/zinc/18/12/91/141181291.db2.gz OBOBXJSDGHVHMP-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000346208966 141181292 /nfs/dbraw/zinc/18/12/92/141181292.db2.gz OBOBXJSDGHVHMP-HXUWFJFHSA-N 2 2 334.423 3.149 10 0 EGAELP OCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc21 ZINC000346218108 141183151 /nfs/dbraw/zinc/18/31/51/141183151.db2.gz LZZIALFAGRBDTG-IBGZPJMESA-N 2 2 339.464 3.416 10 0 EGAELP OCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc21 ZINC000346218108 141183154 /nfs/dbraw/zinc/18/31/54/141183154.db2.gz LZZIALFAGRBDTG-IBGZPJMESA-N 2 2 339.464 3.416 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)CCO1 ZINC000171749669 144010728 /nfs/dbraw/zinc/01/07/28/144010728.db2.gz FGIMOOVYAGLXDD-AWEZNQCLSA-N 2 2 340.870 3.207 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)CCO1 ZINC000171749669 144010729 /nfs/dbraw/zinc/01/07/29/144010729.db2.gz FGIMOOVYAGLXDD-AWEZNQCLSA-N 2 2 340.870 3.207 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000351536412 144275673 /nfs/dbraw/zinc/27/56/73/144275673.db2.gz OUXOHTIZOGNLSE-CVEARBPZSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000351536412 144275674 /nfs/dbraw/zinc/27/56/74/144275674.db2.gz OUXOHTIZOGNLSE-CVEARBPZSA-N 2 2 342.487 3.114 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1n1cc[nH+]c1 ZINC000351762471 144303132 /nfs/dbraw/zinc/30/31/32/144303132.db2.gz ZAKJHIXGLAGTIJ-TZMCWYRMSA-N 2 2 335.354 3.288 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1n1cc[nH+]c1 ZINC000351762471 144303134 /nfs/dbraw/zinc/30/31/34/144303134.db2.gz ZAKJHIXGLAGTIJ-TZMCWYRMSA-N 2 2 335.354 3.288 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CCSC4(CCOCC4)C3)c2)c[nH+]1 ZINC000351876564 144318964 /nfs/dbraw/zinc/31/89/64/144318964.db2.gz FCDPNJAFJFWLKL-UHFFFAOYSA-N 2 2 335.498 3.032 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CCSC4(CCOCC4)C3)c2)c[nH+]1 ZINC000351876564 144318966 /nfs/dbraw/zinc/31/89/66/144318966.db2.gz FCDPNJAFJFWLKL-UHFFFAOYSA-N 2 2 335.498 3.032 10 0 EGAELP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](CC)C(=O)OCC ZINC000361656031 144344747 /nfs/dbraw/zinc/34/47/47/144344747.db2.gz RNKVSFANWMKIRZ-SFHVURJKSA-N 2 2 344.459 3.129 10 0 EGAELP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](CC)C(=O)OCC ZINC000361656031 144344749 /nfs/dbraw/zinc/34/47/49/144344749.db2.gz RNKVSFANWMKIRZ-SFHVURJKSA-N 2 2 344.459 3.129 10 0 EGAELP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361744028 144358652 /nfs/dbraw/zinc/35/86/52/144358652.db2.gz DYUOTKSZDJCGRQ-UHFFFAOYSA-N 2 2 327.428 3.098 10 0 EGAELP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361744028 144358653 /nfs/dbraw/zinc/35/86/53/144358653.db2.gz DYUOTKSZDJCGRQ-UHFFFAOYSA-N 2 2 327.428 3.098 10 0 EGAELP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000119312296 152194029 /nfs/dbraw/zinc/19/40/29/152194029.db2.gz KBFAZAIBJWKFFA-UHFFFAOYSA-N 2 2 325.456 3.192 10 0 EGAELP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000119312296 152194032 /nfs/dbraw/zinc/19/40/32/152194032.db2.gz KBFAZAIBJWKFFA-UHFFFAOYSA-N 2 2 325.456 3.192 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813431 152372923 /nfs/dbraw/zinc/37/29/23/152372923.db2.gz IRFCDWBURJIRQI-RXVVDRJESA-N 3 2 344.547 3.004 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813431 152372926 /nfs/dbraw/zinc/37/29/26/152372926.db2.gz IRFCDWBURJIRQI-RXVVDRJESA-N 3 2 344.547 3.004 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](CCSCc3ccccc3)CC2)CCO1 ZINC000190046340 153115102 /nfs/dbraw/zinc/11/51/02/153115102.db2.gz DKDJJXIDUDIJPD-KRWDZBQOSA-N 2 2 334.529 3.105 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](CCSCc3ccccc3)CC2)CCO1 ZINC000190046340 153115106 /nfs/dbraw/zinc/11/51/06/153115106.db2.gz DKDJJXIDUDIJPD-KRWDZBQOSA-N 2 2 334.529 3.105 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000336894858 154233284 /nfs/dbraw/zinc/23/32/84/154233284.db2.gz XHBRHRCOGCXPBQ-UHFFFAOYSA-N 2 2 339.483 3.067 10 0 EGAELP C[NH+](C)CCN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccccc1 ZINC000348904086 156284289 /nfs/dbraw/zinc/28/42/89/156284289.db2.gz KKEJMTYHISPALH-UHFFFAOYSA-N 2 2 348.494 3.495 10 0 EGAELP COC(=O)CCCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000348926974 156290088 /nfs/dbraw/zinc/29/00/88/156290088.db2.gz ZLIZWEARFPDDNI-PKOBYXMFSA-N 2 2 332.488 3.220 10 0 EGAELP COC(=O)CCCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000348926974 156290091 /nfs/dbraw/zinc/29/00/91/156290091.db2.gz ZLIZWEARFPDDNI-PKOBYXMFSA-N 2 2 332.488 3.220 10 0 EGAELP CC[N@H+](CCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511880 157150748 /nfs/dbraw/zinc/15/07/48/157150748.db2.gz UWZKVQIBPQKUQA-UHFFFAOYSA-N 2 2 334.508 3.236 10 0 EGAELP CC[N@@H+](CCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511880 157150752 /nfs/dbraw/zinc/15/07/52/157150752.db2.gz UWZKVQIBPQKUQA-UHFFFAOYSA-N 2 2 334.508 3.236 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644227 162019245 /nfs/dbraw/zinc/01/92/45/162019245.db2.gz CFDSASLERKTXGS-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644227 162019247 /nfs/dbraw/zinc/01/92/47/162019247.db2.gz CFDSASLERKTXGS-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644227 162019252 /nfs/dbraw/zinc/01/92/52/162019252.db2.gz CFDSASLERKTXGS-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644227 162019254 /nfs/dbraw/zinc/01/92/54/162019254.db2.gz CFDSASLERKTXGS-OCCSQVGLSA-N 2 2 326.868 3.272 10 0 EGAELP CC(C)[C@@H](C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[NH+](C)C ZINC000106909736 162064042 /nfs/dbraw/zinc/06/40/42/162064042.db2.gz UNSLANPZKRBWEH-IBGZPJMESA-N 2 2 340.471 3.411 10 0 EGAELP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000113254243 162207687 /nfs/dbraw/zinc/20/76/87/162207687.db2.gz DFINKRIBUZJKQK-KRWDZBQOSA-N 2 2 334.467 3.452 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248607584 163020271 /nfs/dbraw/zinc/02/02/71/163020271.db2.gz WUKJVSDTSAQWGM-OALUTQOASA-N 2 2 327.472 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248607584 163020276 /nfs/dbraw/zinc/02/02/76/163020276.db2.gz WUKJVSDTSAQWGM-OALUTQOASA-N 2 2 327.472 3.076 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794434 164035785 /nfs/dbraw/zinc/03/57/85/164035785.db2.gz LLOHAYQEYGMBDK-CJNGLKHVSA-N 2 2 338.879 3.273 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794434 164035788 /nfs/dbraw/zinc/03/57/88/164035788.db2.gz LLOHAYQEYGMBDK-CJNGLKHVSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794434 164035791 /nfs/dbraw/zinc/03/57/91/164035791.db2.gz LLOHAYQEYGMBDK-CJNGLKHVSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794434 164035794 /nfs/dbraw/zinc/03/57/94/164035794.db2.gz LLOHAYQEYGMBDK-CJNGLKHVSA-N 2 2 338.879 3.273 10 0 EGAELP COc1ccc([C@H](CO)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346168173 164355008 /nfs/dbraw/zinc/35/50/08/164355008.db2.gz CCQBQLOHJYUUHH-SFHVURJKSA-N 2 2 343.452 3.108 10 0 EGAELP COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346168173 164355010 /nfs/dbraw/zinc/35/50/10/164355010.db2.gz CCQBQLOHJYUUHH-SFHVURJKSA-N 2 2 343.452 3.108 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000346169365 164355525 /nfs/dbraw/zinc/35/55/25/164355525.db2.gz JFAWEBQLYHDAIP-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000346169365 164355526 /nfs/dbraw/zinc/35/55/26/164355526.db2.gz JFAWEBQLYHDAIP-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP Oc1cccc([C@@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346173394 164356705 /nfs/dbraw/zinc/35/67/05/164356705.db2.gz PKHYNSISAKNPAD-SFHVURJKSA-N 2 2 341.436 3.213 10 0 EGAELP Oc1cccc([C@@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346173394 164356707 /nfs/dbraw/zinc/35/67/07/164356707.db2.gz PKHYNSISAKNPAD-SFHVURJKSA-N 2 2 341.436 3.213 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000352105782 165238612 /nfs/dbraw/zinc/23/86/12/165238612.db2.gz VRXXWMNWDNJUMN-RBUKOAKNSA-N 2 2 337.458 3.032 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109756069 287136882 /nfs/dbraw/zinc/13/68/82/287136882.db2.gz CMRJRPRKFBFAFZ-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109756069 287136886 /nfs/dbraw/zinc/13/68/86/287136886.db2.gz CMRJRPRKFBFAFZ-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP Cn1nc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC000358976672 167025389 /nfs/dbraw/zinc/02/53/89/167025389.db2.gz AFGMUENSRBRZTK-UHFFFAOYSA-N 2 2 337.452 3.153 10 0 EGAELP Fc1ccc(-n2nccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366277359 168101723 /nfs/dbraw/zinc/10/17/23/168101723.db2.gz BCXWPMMRMVTAOA-UHFFFAOYSA-N 2 2 328.435 3.118 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367435779 168224802 /nfs/dbraw/zinc/22/48/02/168224802.db2.gz CZWBGQXLIIWZBO-PXNSSMCTSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367435779 168224803 /nfs/dbraw/zinc/22/48/03/168224803.db2.gz CZWBGQXLIIWZBO-PXNSSMCTSA-N 2 2 338.499 3.220 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000368018048 168297530 /nfs/dbraw/zinc/29/75/30/168297530.db2.gz OVSLZZNPKUONNC-INIZCTEOSA-N 2 2 330.863 3.240 10 0 EGAELP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178750404 265339046 /nfs/dbraw/zinc/33/90/46/265339046.db2.gz XJNLSOSEBHUHAA-INIZCTEOSA-N 2 2 344.484 3.017 10 0 EGAELP CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178750404 265339049 /nfs/dbraw/zinc/33/90/49/265339049.db2.gz XJNLSOSEBHUHAA-INIZCTEOSA-N 2 2 344.484 3.017 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269661873 266335420 /nfs/dbraw/zinc/33/54/20/266335420.db2.gz ULPWHKRRDJZLAE-DLBZAZTESA-N 2 2 343.471 3.152 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)[nH+]c1 ZINC000271467023 266668149 /nfs/dbraw/zinc/66/81/49/266668149.db2.gz GYKJXEFQNZTQRF-QGZVFWFLSA-N 2 2 347.528 3.085 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505314 274027572 /nfs/dbraw/zinc/02/75/72/274027572.db2.gz DEVFWZKWOUIVDL-DNVCBOLYSA-N 2 2 327.472 3.246 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505314 274027573 /nfs/dbraw/zinc/02/75/73/274027573.db2.gz DEVFWZKWOUIVDL-DNVCBOLYSA-N 2 2 327.472 3.246 10 0 EGAELP CC(C)(C)c1cnc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000279054990 275299808 /nfs/dbraw/zinc/29/98/08/275299808.db2.gz DUJVQVZYYHJSMX-UHFFFAOYSA-N 2 2 327.457 3.311 10 0 EGAELP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687823 275350053 /nfs/dbraw/zinc/35/00/53/275350053.db2.gz BJBILYXMTASUIU-UTKZUKDTSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687823 275350055 /nfs/dbraw/zinc/35/00/55/275350055.db2.gz BJBILYXMTASUIU-UTKZUKDTSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687823 275350057 /nfs/dbraw/zinc/35/00/57/275350057.db2.gz BJBILYXMTASUIU-UTKZUKDTSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687823 275350059 /nfs/dbraw/zinc/35/00/59/275350059.db2.gz BJBILYXMTASUIU-UTKZUKDTSA-N 2 2 336.483 3.321 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000286979918 276065963 /nfs/dbraw/zinc/06/59/63/276065963.db2.gz BUNBRUHYMQCVAX-UHFFFAOYSA-N 2 2 326.444 3.342 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000286979918 276065965 /nfs/dbraw/zinc/06/59/65/276065965.db2.gz BUNBRUHYMQCVAX-UHFFFAOYSA-N 2 2 326.444 3.342 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000344697138 276287129 /nfs/dbraw/zinc/28/71/29/276287129.db2.gz BMFLIKUJNRBYDJ-NEWSRXKRSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000344697138 276287130 /nfs/dbraw/zinc/28/71/30/276287130.db2.gz BMFLIKUJNRBYDJ-NEWSRXKRSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344697138 276287131 /nfs/dbraw/zinc/28/71/31/276287131.db2.gz BMFLIKUJNRBYDJ-NEWSRXKRSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344697138 276287133 /nfs/dbraw/zinc/28/71/33/276287133.db2.gz BMFLIKUJNRBYDJ-NEWSRXKRSA-N 2 2 330.472 3.067 10 0 EGAELP COc1cncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000289504567 276349287 /nfs/dbraw/zinc/34/92/87/276349287.db2.gz ULNGZNCXXFJWBQ-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP COc1cncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000289504567 276349289 /nfs/dbraw/zinc/34/92/89/276349289.db2.gz ULNGZNCXXFJWBQ-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1ccccc1 ZINC000290205483 276463596 /nfs/dbraw/zinc/46/35/96/276463596.db2.gz GZLCKWZSLLIXEQ-CJNGLKHVSA-N 2 2 330.394 3.115 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341695097 277221907 /nfs/dbraw/zinc/22/19/07/277221907.db2.gz BTHFBTKINDOICA-NVXWUHKLSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341695097 277221908 /nfs/dbraw/zinc/22/19/08/277221908.db2.gz BTHFBTKINDOICA-NVXWUHKLSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000075262524 307398562 /nfs/dbraw/zinc/39/85/62/307398562.db2.gz WOUYNCNNHONGPJ-DLBZAZTESA-N 2 2 340.471 3.314 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cnn1-c1cc(C)ccc1C ZINC000414120901 309062093 /nfs/dbraw/zinc/06/20/93/309062093.db2.gz FHBAWUMWGSWRRD-MRXNPFEDSA-N 2 2 337.471 3.424 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3c(Br)cccc32)c1 ZINC000414120314 309062149 /nfs/dbraw/zinc/06/21/49/309062149.db2.gz BVWSDIMQYTVDPF-INIZCTEOSA-N 2 2 334.261 3.392 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294475925 308224428 /nfs/dbraw/zinc/22/44/28/308224428.db2.gz WZMHNDFEUCFDQA-ACDBMABISA-N 2 2 337.467 3.375 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294475925 308224429 /nfs/dbraw/zinc/22/44/29/308224429.db2.gz WZMHNDFEUCFDQA-ACDBMABISA-N 2 2 337.467 3.375 10 0 EGAELP COc1cc(OC)cc(C2(F)CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414766024 309099575 /nfs/dbraw/zinc/09/95/75/309099575.db2.gz QKMWZCNIGOAVDN-MRXNPFEDSA-N 2 2 338.467 3.338 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414826526 309104108 /nfs/dbraw/zinc/10/41/08/309104108.db2.gz FPMNMYZUYARVID-SJLPKXTDSA-N 2 2 325.456 3.310 10 0 EGAELP Cc1nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c(C)[nH+]1 ZINC000301436408 308700172 /nfs/dbraw/zinc/70/01/72/308700172.db2.gz JXFPJTWPHSWNJD-STQMWFEESA-N 2 2 341.459 3.023 10 0 EGAELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415015789 309114479 /nfs/dbraw/zinc/11/44/79/309114479.db2.gz ZLUBZSWALFDEON-ZJUUUORDSA-N 2 2 340.290 3.398 10 0 EGAELP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415056066 309117135 /nfs/dbraw/zinc/11/71/35/309117135.db2.gz PJURITKRHQOIAW-SJKOYZFVSA-N 2 2 326.868 3.164 10 0 EGAELP CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415056066 309117136 /nfs/dbraw/zinc/11/71/36/309117136.db2.gz PJURITKRHQOIAW-SJKOYZFVSA-N 2 2 326.868 3.164 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383887 309285565 /nfs/dbraw/zinc/28/55/65/309285565.db2.gz SXBXDXBDUIYEHJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383887 309285566 /nfs/dbraw/zinc/28/55/66/309285566.db2.gz SXBXDXBDUIYEHJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420402863 309286512 /nfs/dbraw/zinc/28/65/12/309286512.db2.gz QVXBHPRKDHFTBO-BEFAXECRSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420402863 309286513 /nfs/dbraw/zinc/28/65/13/309286513.db2.gz QVXBHPRKDHFTBO-BEFAXECRSA-N 2 2 344.890 3.490 10 0 EGAELP CCOc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCC(C)C ZINC000422561683 309361656 /nfs/dbraw/zinc/36/16/56/309361656.db2.gz MTTYQBVBZJIFGQ-UHFFFAOYSA-N 2 2 332.488 3.448 10 0 EGAELP C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000422751300 309366525 /nfs/dbraw/zinc/36/65/25/309366525.db2.gz BFZGHCQNHIKACG-GDLCADMTSA-N 2 2 325.250 3.003 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N)O[C@@H](C)C2 ZINC000422778018 309367981 /nfs/dbraw/zinc/36/79/81/309367981.db2.gz GUOTVECSERPHOX-STQMWFEESA-N 2 2 327.428 3.067 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CCO)CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422802520 309369292 /nfs/dbraw/zinc/36/92/92/309369292.db2.gz DMAVRUSCJNYMLC-DBVUQKKJSA-N 2 2 334.504 3.123 10 0 EGAELP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900641 309375028 /nfs/dbraw/zinc/37/50/28/309375028.db2.gz AQFWBZJWBUHOAU-VKQJQLINSA-N 3 2 327.516 3.432 10 0 EGAELP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422900641 309375029 /nfs/dbraw/zinc/37/50/29/309375029.db2.gz AQFWBZJWBUHOAU-VKQJQLINSA-N 3 2 327.516 3.432 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccncc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423011256 309380694 /nfs/dbraw/zinc/38/06/94/309380694.db2.gz IJYFPNCXRJJPOF-VQTJNVASSA-N 2 2 325.456 3.024 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016372 309381085 /nfs/dbraw/zinc/38/10/85/309381085.db2.gz MNENGYHBTDTKRG-GQAVTEOGSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016372 309381086 /nfs/dbraw/zinc/38/10/86/309381086.db2.gz MNENGYHBTDTKRG-GQAVTEOGSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016372 309381087 /nfs/dbraw/zinc/38/10/87/309381087.db2.gz MNENGYHBTDTKRG-GQAVTEOGSA-N 2 2 339.886 3.345 10 0 EGAELP Fc1ccc(C2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423029519 309381901 /nfs/dbraw/zinc/38/19/01/309381901.db2.gz IFFNZJBFSYSGIX-AVMZVFHNSA-N 2 2 332.463 3.209 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423071982 309384457 /nfs/dbraw/zinc/38/44/57/309384457.db2.gz IKCWTVNSORXBDS-QHAWAJNXSA-N 2 2 346.515 3.409 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423075915 309384626 /nfs/dbraw/zinc/38/46/26/309384626.db2.gz XXWALXWBLTZDRO-UHIISALHSA-N 2 2 327.266 3.249 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423134331 309387563 /nfs/dbraw/zinc/38/75/63/309387563.db2.gz LYTIDWDBTOZVDH-GIVPXCGWSA-N 2 2 346.515 3.267 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000423132529 309387727 /nfs/dbraw/zinc/38/77/27/309387727.db2.gz PLTQYGAWGUCASZ-YRGRVCCFSA-N 2 2 341.297 3.201 10 0 EGAELP CCn1cc[nH+]c1[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423146365 309388305 /nfs/dbraw/zinc/38/83/05/309388305.db2.gz AIRMDFFFUGKCQU-WBAXXEDZSA-N 2 2 328.460 3.056 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161320 309388892 /nfs/dbraw/zinc/38/88/92/309388892.db2.gz IYEKLUZDYWSYRV-MOPGFXCFSA-N 2 2 346.515 3.409 10 0 EGAELP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423273871 309393536 /nfs/dbraw/zinc/39/35/36/309393536.db2.gz LAJHJFGWUDWBPB-UONOGXRCSA-N 2 2 327.266 3.236 10 0 EGAELP CC(C)n1cncc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000424131603 309430237 /nfs/dbraw/zinc/43/02/37/309430237.db2.gz JGTLDXYJZNQLMI-UHFFFAOYSA-N 2 2 330.451 3.357 10 0 EGAELP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441369586 309869769 /nfs/dbraw/zinc/86/97/69/309869769.db2.gz FBIWIPKRWQAFMP-MJGOQNOKSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449093379 310036554 /nfs/dbraw/zinc/03/65/54/310036554.db2.gz WDAPSNBKUHGHHP-SFHVURJKSA-N 3 2 340.515 3.267 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000449218461 310045464 /nfs/dbraw/zinc/04/54/64/310045464.db2.gz IKHNVZQLYRUPQY-IBGZPJMESA-N 2 2 329.532 3.158 10 0 EGAELP CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449379920 310057681 /nfs/dbraw/zinc/05/76/81/310057681.db2.gz KTSMUADQDFFIAV-LLVKDONJSA-N 2 2 333.379 3.381 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000449389140 310058244 /nfs/dbraw/zinc/05/82/44/310058244.db2.gz RJVQZIUAUNATQQ-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000449389140 310058245 /nfs/dbraw/zinc/05/82/45/310058245.db2.gz RJVQZIUAUNATQQ-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000453232116 310265718 /nfs/dbraw/zinc/26/57/18/310265718.db2.gz JCGAFKIIEJYLAT-WBAXXEDZSA-N 3 2 344.890 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000453232116 310265719 /nfs/dbraw/zinc/26/57/19/310265719.db2.gz JCGAFKIIEJYLAT-WBAXXEDZSA-N 3 2 344.890 3.488 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000453256284 310267143 /nfs/dbraw/zinc/26/71/43/310267143.db2.gz FZIGHNZSIGDNRV-ZBFHGGJFSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000453256284 310267144 /nfs/dbraw/zinc/26/71/44/310267144.db2.gz FZIGHNZSIGDNRV-ZBFHGGJFSA-N 2 2 340.920 3.313 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267240 310268309 /nfs/dbraw/zinc/26/83/09/310268309.db2.gz OYUUDVOEFXYPRE-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267240 310268310 /nfs/dbraw/zinc/26/83/10/310268310.db2.gz OYUUDVOEFXYPRE-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277834 310268877 /nfs/dbraw/zinc/26/88/77/310268877.db2.gz YLWICTXURIZNDC-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000453277834 310268878 /nfs/dbraw/zinc/26/88/78/310268878.db2.gz YLWICTXURIZNDC-XJKSGUPXSA-N 2 2 330.394 3.203 10 0 EGAELP C[NH+](C)CC1(C(=O)Nc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000494221394 311463343 /nfs/dbraw/zinc/46/33/43/311463343.db2.gz XMAPYTQQEPZUPF-UHFFFAOYSA-N 2 2 326.444 3.323 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510653656 312145680 /nfs/dbraw/zinc/14/56/80/312145680.db2.gz SPWYXJNBHBSKGE-SFTDATJTSA-N 2 2 327.516 3.367 10 0 EGAELP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528013112 312999305 /nfs/dbraw/zinc/99/93/05/312999305.db2.gz MAJIDFAQBWBXAS-INIZCTEOSA-N 2 2 340.471 3.172 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015417 313000300 /nfs/dbraw/zinc/00/03/00/313000300.db2.gz XJTVQKDNTVCXPM-PXNSSMCTSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015415 313000363 /nfs/dbraw/zinc/00/03/63/313000363.db2.gz XJTVQKDNTVCXPM-FXAWDEMLSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC(F)(F)C1 ZINC000529542539 313350859 /nfs/dbraw/zinc/35/08/59/313350859.db2.gz KNACKOJOENUCSO-HNNXBMFYSA-N 2 2 330.463 3.293 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553875 313353325 /nfs/dbraw/zinc/35/33/25/313353325.db2.gz JAAHXYCJDAVLSB-YJBOKZPZSA-N 2 2 338.442 3.301 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553875 313353327 /nfs/dbraw/zinc/35/33/27/313353327.db2.gz JAAHXYCJDAVLSB-YJBOKZPZSA-N 2 2 338.442 3.301 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085538 314362269 /nfs/dbraw/zinc/36/22/69/314362269.db2.gz VHFPCJHGLQLAFS-SCLBCKFNSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085538 314362271 /nfs/dbraw/zinc/36/22/71/314362271.db2.gz VHFPCJHGLQLAFS-SCLBCKFNSA-N 2 2 329.419 3.096 10 0 EGAELP c1[nH+]c2n(c1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CCCC2 ZINC000551571640 315159587 /nfs/dbraw/zinc/15/95/87/315159587.db2.gz OJWNIUDLKWDUMG-QFBILLFUSA-N 2 2 325.456 3.477 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438527 316021989 /nfs/dbraw/zinc/02/19/89/316021989.db2.gz DVYRMZJKOZJUQY-SNVBAGLBSA-N 2 2 338.249 3.350 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000565539844 316337391 /nfs/dbraw/zinc/33/73/91/316337391.db2.gz FICHQCNISRNWCC-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000565539844 316337394 /nfs/dbraw/zinc/33/73/94/316337394.db2.gz FICHQCNISRNWCC-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000572111589 317292462 /nfs/dbraw/zinc/29/24/62/317292462.db2.gz IAVAZQFMZMHZKD-GFCCVEGCSA-N 2 2 334.826 3.457 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000262041114 455988347 /nfs/dbraw/zinc/98/83/47/455988347.db2.gz YNKARMSVMZFFGE-FVQBIDKESA-N 2 2 329.271 3.240 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171648068 323244312 /nfs/dbraw/zinc/24/43/12/323244312.db2.gz JFPBQFMWLQZMHK-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171648068 323244316 /nfs/dbraw/zinc/24/43/16/323244316.db2.gz JFPBQFMWLQZMHK-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000177357784 323339643 /nfs/dbraw/zinc/33/96/43/323339643.db2.gz GRURDSNXXPEWFT-UONOGXRCSA-N 2 2 341.293 3.068 10 0 EGAELP c1cn(Cc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2)c[nH+]1 ZINC000351089770 324167706 /nfs/dbraw/zinc/16/77/06/324167706.db2.gz OJBOTFKREHFCPP-UHFFFAOYSA-N 2 2 342.362 3.296 10 0 EGAELP C[C@H]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC[N@@H+]1C ZINC000351198368 324192933 /nfs/dbraw/zinc/19/29/33/324192933.db2.gz HVCZCLPFWXOVLV-YOEHRIQHSA-N 2 2 337.427 3.179 10 0 EGAELP C[C@H]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC[N@H+]1C ZINC000351198368 324192936 /nfs/dbraw/zinc/19/29/36/324192936.db2.gz HVCZCLPFWXOVLV-YOEHRIQHSA-N 2 2 337.427 3.179 10 0 EGAELP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000579006997 325049298 /nfs/dbraw/zinc/04/92/98/325049298.db2.gz ULRJDCRJGRORJQ-FQEVSTJZSA-N 2 2 349.478 3.072 10 0 EGAELP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000579006997 325049301 /nfs/dbraw/zinc/04/93/01/325049301.db2.gz ULRJDCRJGRORJQ-FQEVSTJZSA-N 2 2 349.478 3.072 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000579408130 325104275 /nfs/dbraw/zinc/10/42/75/325104275.db2.gz RTCRFHLUONOXGP-OAHLLOKOSA-N 2 2 326.425 3.202 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CCOC(C)C)c(C)c1 ZINC000579463543 325114050 /nfs/dbraw/zinc/11/40/50/325114050.db2.gz YNBGWHLLFAPCIK-ICSRJNTNSA-N 2 2 345.487 3.007 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000582127303 325416409 /nfs/dbraw/zinc/41/64/09/325416409.db2.gz PMCMJLYGVISWDS-JIZBTBOESA-N 2 2 336.520 3.208 10 0 EGAELP CC1=C(C)C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000582787107 325469565 /nfs/dbraw/zinc/46/95/65/325469565.db2.gz XIPOHVMJAJJXCK-LJQANCHMSA-N 2 2 347.547 3.189 10 0 EGAELP CC(C)N(C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000180655698 455219869 /nfs/dbraw/zinc/21/98/69/455219869.db2.gz PUBGWICNSHHGOD-INIZCTEOSA-N 2 2 328.460 3.168 10 0 EGAELP c1ccc(-c2noc(CC[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000157743202 455226334 /nfs/dbraw/zinc/22/63/34/455226334.db2.gz IZIFEDSLMVRBRM-MRXNPFEDSA-N 2 2 349.438 3.108 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@H](C)CSCCF)CCCC2)CC1 ZINC000595020934 459218235 /nfs/dbraw/zinc/21/82/35/459218235.db2.gz VSXVTOUXNYEOLR-OAHLLOKOSA-N 2 2 332.529 3.091 10 0 EGAELP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000631834509 460577260 /nfs/dbraw/zinc/57/72/60/460577260.db2.gz YTDUKDWFYDYUKO-SFHVURJKSA-N 2 2 325.456 3.364 10 0 EGAELP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000631834509 460577268 /nfs/dbraw/zinc/57/72/68/460577268.db2.gz YTDUKDWFYDYUKO-SFHVURJKSA-N 2 2 325.456 3.364 10 0 EGAELP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245683332 455354001 /nfs/dbraw/zinc/35/40/01/455354001.db2.gz ACEWDKQPNLWRDV-KBXCAEBGSA-N 2 2 339.418 3.495 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245683332 455354005 /nfs/dbraw/zinc/35/40/05/455354005.db2.gz ACEWDKQPNLWRDV-KBXCAEBGSA-N 2 2 339.418 3.495 10 0 EGAELP Clc1cccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000075142015 453865944 /nfs/dbraw/zinc/86/59/44/453865944.db2.gz BGWSJKYCHFQXLY-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000084672921 454004602 /nfs/dbraw/zinc/00/46/02/454004602.db2.gz VODPQADZFLUPKG-LJQANCHMSA-N 2 2 347.466 3.334 10 0 EGAELP CCOc1cc2c(c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)c1)O[C@@H](C)C2 ZINC000084805169 454011245 /nfs/dbraw/zinc/01/12/45/454011245.db2.gz NZFLLFZBBVHSMK-GJZGRUSLSA-N 2 2 341.455 3.272 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3F)CC2)[C@H]2CCO[C@@H]21 ZINC000095987815 454253106 /nfs/dbraw/zinc/25/31/06/454253106.db2.gz VLYVFGPRZNYDGQ-QRQLOZEOSA-N 2 2 332.463 3.193 10 0 EGAELP c1nc(N2CCC[C@H]([NH+]3CCCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000091482340 454441443 /nfs/dbraw/zinc/44/14/43/454441443.db2.gz ZMUFSZMLAFJROM-SFHVURJKSA-N 2 2 343.519 3.312 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091961107 454496041 /nfs/dbraw/zinc/49/60/41/454496041.db2.gz DVPIHYIFHUKIFZ-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091961107 454496048 /nfs/dbraw/zinc/49/60/48/454496048.db2.gz DVPIHYIFHUKIFZ-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266749925 455447826 /nfs/dbraw/zinc/44/78/26/455447826.db2.gz NOJOBPGOTRHFJL-CQSZACIVSA-N 2 2 337.427 3.324 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623615427 460642160 /nfs/dbraw/zinc/64/21/60/460642160.db2.gz CROJGJHTFYAHTO-JYYAWHABSA-N 2 2 340.389 3.137 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623615427 460642167 /nfs/dbraw/zinc/64/21/67/460642167.db2.gz CROJGJHTFYAHTO-JYYAWHABSA-N 2 2 340.389 3.137 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933757 454651151 /nfs/dbraw/zinc/65/11/51/454651151.db2.gz ZVIKTPUFKCJJRL-ZDUSSCGKSA-N 2 2 343.456 3.333 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933757 454651159 /nfs/dbraw/zinc/65/11/59/454651159.db2.gz ZVIKTPUFKCJJRL-ZDUSSCGKSA-N 2 2 343.456 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000105904153 454668387 /nfs/dbraw/zinc/66/83/87/454668387.db2.gz QPJAJZHHBHNMQD-HNNXBMFYSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000105904153 454668395 /nfs/dbraw/zinc/66/83/95/454668395.db2.gz QPJAJZHHBHNMQD-HNNXBMFYSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000106215495 454686243 /nfs/dbraw/zinc/68/62/43/454686243.db2.gz BUYAEBUOAQFYPV-GOSISDBHSA-N 2 2 346.519 3.264 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000106215495 454686245 /nfs/dbraw/zinc/68/62/45/454686245.db2.gz BUYAEBUOAQFYPV-GOSISDBHSA-N 2 2 346.519 3.264 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106216506 454687045 /nfs/dbraw/zinc/68/70/45/454687045.db2.gz MRKKUALJRIQGCZ-GOSISDBHSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106216506 454687047 /nfs/dbraw/zinc/68/70/47/454687047.db2.gz MRKKUALJRIQGCZ-GOSISDBHSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)CSCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000152667691 454709137 /nfs/dbraw/zinc/70/91/37/454709137.db2.gz VYALLMYUUXOQIQ-UHFFFAOYSA-N 2 2 338.565 3.059 10 0 EGAELP CC(C)CSCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000152667691 454709141 /nfs/dbraw/zinc/70/91/41/454709141.db2.gz VYALLMYUUXOQIQ-UHFFFAOYSA-N 2 2 338.565 3.059 10 0 EGAELP C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246288555 455465284 /nfs/dbraw/zinc/46/52/84/455465284.db2.gz OPPZPQDXVCLISV-UYAOXDASSA-N 2 2 327.472 3.415 10 0 EGAELP C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246288555 455465286 /nfs/dbraw/zinc/46/52/86/455465286.db2.gz OPPZPQDXVCLISV-UYAOXDASSA-N 2 2 327.472 3.415 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000163300987 454837737 /nfs/dbraw/zinc/83/77/37/454837737.db2.gz LKAZBLJHEVYCHK-HIFRSBDPSA-N 2 2 325.522 3.336 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000163300987 454837740 /nfs/dbraw/zinc/83/77/40/454837740.db2.gz LKAZBLJHEVYCHK-HIFRSBDPSA-N 2 2 325.522 3.336 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150851240 454901848 /nfs/dbraw/zinc/90/18/48/454901848.db2.gz JIMWRWWXBHJHFI-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150851240 454901850 /nfs/dbraw/zinc/90/18/50/454901850.db2.gz JIMWRWWXBHJHFI-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150851274 454901988 /nfs/dbraw/zinc/90/19/88/454901988.db2.gz JIMWRWWXBHJHFI-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150851274 454901991 /nfs/dbraw/zinc/90/19/91/454901991.db2.gz JIMWRWWXBHJHFI-HNNXBMFYSA-N 2 2 329.419 3.398 10 0 EGAELP CC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1nccs1 ZINC000185116908 455504575 /nfs/dbraw/zinc/50/45/75/455504575.db2.gz JRTPWLDPVFYRLN-GJZGRUSLSA-N 2 2 344.484 3.211 10 0 EGAELP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151689108 455017606 /nfs/dbraw/zinc/01/76/06/455017606.db2.gz LVLSRWFXRZPISX-CQSZACIVSA-N 2 2 334.414 3.252 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171975752 455105078 /nfs/dbraw/zinc/10/50/78/455105078.db2.gz XNMYDEQCWPLCMR-INIZCTEOSA-N 2 2 338.411 3.186 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171975752 455105083 /nfs/dbraw/zinc/10/50/83/455105083.db2.gz XNMYDEQCWPLCMR-INIZCTEOSA-N 2 2 338.411 3.186 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157039941 455162251 /nfs/dbraw/zinc/16/22/51/455162251.db2.gz VEADDVYTQXEGII-IEBWSBKVSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157039941 455162253 /nfs/dbraw/zinc/16/22/53/455162253.db2.gz VEADDVYTQXEGII-IEBWSBKVSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157039941 455162255 /nfs/dbraw/zinc/16/22/55/455162255.db2.gz VEADDVYTQXEGII-IEBWSBKVSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157039941 455162256 /nfs/dbraw/zinc/16/22/56/455162256.db2.gz VEADDVYTQXEGII-IEBWSBKVSA-N 2 2 345.531 3.276 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172580754 455162814 /nfs/dbraw/zinc/16/28/14/455162814.db2.gz AVYBDIFAFWSKJJ-OAHLLOKOSA-N 2 2 339.439 3.004 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172580754 455162815 /nfs/dbraw/zinc/16/28/15/455162815.db2.gz AVYBDIFAFWSKJJ-OAHLLOKOSA-N 2 2 339.439 3.004 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccs1 ZINC000180564740 455197987 /nfs/dbraw/zinc/19/79/87/455197987.db2.gz HVSFCPHMRDEXCF-KGLIPLIRSA-N 2 2 331.489 3.290 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429239 455296419 /nfs/dbraw/zinc/29/64/19/455296419.db2.gz MZTVUKQTXCENGP-GUYCJALGSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429239 455296424 /nfs/dbraw/zinc/29/64/24/455296424.db2.gz MZTVUKQTXCENGP-GUYCJALGSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429239 455296429 /nfs/dbraw/zinc/29/64/29/455296429.db2.gz MZTVUKQTXCENGP-GUYCJALGSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429239 455296430 /nfs/dbraw/zinc/29/64/30/455296430.db2.gz MZTVUKQTXCENGP-GUYCJALGSA-N 2 2 337.895 3.249 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@H]3CC[N@@H+](CC)C[C@H]3C)n2)cc1 ZINC000245435595 455297718 /nfs/dbraw/zinc/29/77/18/455297718.db2.gz QNLHAHIGHATFHC-QAPCUYQASA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@H]3CC[N@H+](CC)C[C@H]3C)n2)cc1 ZINC000245435595 455297720 /nfs/dbraw/zinc/29/77/20/455297720.db2.gz QNLHAHIGHATFHC-QAPCUYQASA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+](C)[C@H]3CC[NH+](CC)C[C@H]3C)n2)cc1 ZINC000245435595 455297724 /nfs/dbraw/zinc/29/77/24/455297724.db2.gz QNLHAHIGHATFHC-QAPCUYQASA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+](C)[C@H]3CC[NH+](CC)C[C@H]3C)n2)cc1 ZINC000245435595 455297727 /nfs/dbraw/zinc/29/77/27/455297727.db2.gz QNLHAHIGHATFHC-QAPCUYQASA-N 2 2 342.487 3.461 10 0 EGAELP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190491722 455331471 /nfs/dbraw/zinc/33/14/71/455331471.db2.gz JUTPXXOEGSWTJY-LJQANCHMSA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190491722 455331478 /nfs/dbraw/zinc/33/14/78/455331478.db2.gz JUTPXXOEGSWTJY-LJQANCHMSA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190491722 455331484 /nfs/dbraw/zinc/33/14/84/455331484.db2.gz JUTPXXOEGSWTJY-LJQANCHMSA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190491722 455331489 /nfs/dbraw/zinc/33/14/89/455331489.db2.gz JUTPXXOEGSWTJY-LJQANCHMSA-N 2 2 338.499 3.102 10 0 EGAELP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936713 455342716 /nfs/dbraw/zinc/34/27/16/455342716.db2.gz VGZNEGJXMJJLHZ-MRXNPFEDSA-N 2 2 348.450 3.425 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727371 455364881 /nfs/dbraw/zinc/36/48/81/455364881.db2.gz IZBOLHZBUFDNTI-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727371 455364888 /nfs/dbraw/zinc/36/48/88/455364888.db2.gz IZBOLHZBUFDNTI-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727371 455364892 /nfs/dbraw/zinc/36/48/92/455364892.db2.gz IZBOLHZBUFDNTI-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727371 455364894 /nfs/dbraw/zinc/36/48/94/455364894.db2.gz IZBOLHZBUFDNTI-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]c3ccccc23)nc[nH+]1 ZINC000174731074 455413013 /nfs/dbraw/zinc/41/30/13/455413013.db2.gz PFAXVNOGQGASEC-AWEZNQCLSA-N 2 2 334.427 3.147 10 0 EGAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]c3ccccc23)[nH+]cn1 ZINC000174731074 455413018 /nfs/dbraw/zinc/41/30/18/455413018.db2.gz PFAXVNOGQGASEC-AWEZNQCLSA-N 2 2 334.427 3.147 10 0 EGAELP Cc1ccc(C[NH+](C)CC2(C[N@H+](C)Cc3ccc(C)o3)COC2)o1 ZINC000182030965 455420058 /nfs/dbraw/zinc/42/00/58/455420058.db2.gz ZJDZSWRCJVMKJX-UHFFFAOYSA-N 2 2 332.444 3.070 10 0 EGAELP Cc1ccc(C[NH+](C)CC2(C[N@@H+](C)Cc3ccc(C)o3)COC2)o1 ZINC000182030965 455420062 /nfs/dbraw/zinc/42/00/62/455420062.db2.gz ZJDZSWRCJVMKJX-UHFFFAOYSA-N 2 2 332.444 3.070 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246715691 455519506 /nfs/dbraw/zinc/51/95/06/455519506.db2.gz CXGHCEFGJYPJAN-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246715691 455519510 /nfs/dbraw/zinc/51/95/10/455519510.db2.gz CXGHCEFGJYPJAN-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246715691 455519515 /nfs/dbraw/zinc/51/95/15/455519515.db2.gz CXGHCEFGJYPJAN-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246715691 455519519 /nfs/dbraw/zinc/51/95/19/455519519.db2.gz CXGHCEFGJYPJAN-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000185204574 455520428 /nfs/dbraw/zinc/52/04/28/455520428.db2.gz ZIFJVMQVAFUTCN-WMZOPIPTSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C ZINC000176106437 455540426 /nfs/dbraw/zinc/54/04/26/455540426.db2.gz KJBZSOMRTDSSLP-RHSMWYFYSA-N 2 2 341.459 3.034 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C ZINC000176106437 455540430 /nfs/dbraw/zinc/54/04/30/455540430.db2.gz KJBZSOMRTDSSLP-RHSMWYFYSA-N 2 2 341.459 3.034 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047117 455551286 /nfs/dbraw/zinc/55/12/86/455551286.db2.gz OBGLYQDHVFGZLS-WMLDXEAASA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047117 455551289 /nfs/dbraw/zinc/55/12/89/455551289.db2.gz OBGLYQDHVFGZLS-WMLDXEAASA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047117 455551292 /nfs/dbraw/zinc/55/12/92/455551292.db2.gz OBGLYQDHVFGZLS-WMLDXEAASA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047117 455551297 /nfs/dbraw/zinc/55/12/97/455551297.db2.gz OBGLYQDHVFGZLS-WMLDXEAASA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068366 455554563 /nfs/dbraw/zinc/55/45/63/455554563.db2.gz PPIRHGFCQFVTCZ-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068366 455554566 /nfs/dbraw/zinc/55/45/66/455554566.db2.gz PPIRHGFCQFVTCZ-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068366 455554567 /nfs/dbraw/zinc/55/45/67/455554567.db2.gz PPIRHGFCQFVTCZ-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068366 455554571 /nfs/dbraw/zinc/55/45/71/455554571.db2.gz PPIRHGFCQFVTCZ-WFASDCNBSA-N 2 2 326.282 3.006 10 0 EGAELP COCCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247277684 455582199 /nfs/dbraw/zinc/58/21/99/455582199.db2.gz YKHAZTFTIZWESP-PXNSSMCTSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247277684 455582200 /nfs/dbraw/zinc/58/22/00/455582200.db2.gz YKHAZTFTIZWESP-PXNSSMCTSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247277684 455582205 /nfs/dbraw/zinc/58/22/05/455582205.db2.gz YKHAZTFTIZWESP-PXNSSMCTSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247277684 455582209 /nfs/dbraw/zinc/58/22/09/455582209.db2.gz YKHAZTFTIZWESP-PXNSSMCTSA-N 2 2 344.499 3.161 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266970 455613096 /nfs/dbraw/zinc/61/30/96/455613096.db2.gz ZDXJBJPAKACJMJ-DYESRHJHSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266970 455613099 /nfs/dbraw/zinc/61/30/99/455613099.db2.gz ZDXJBJPAKACJMJ-DYESRHJHSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266970 455613100 /nfs/dbraw/zinc/61/31/00/455613100.db2.gz ZDXJBJPAKACJMJ-DYESRHJHSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292266970 455613103 /nfs/dbraw/zinc/61/31/03/455613103.db2.gz ZDXJBJPAKACJMJ-DYESRHJHSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000248399784 455713772 /nfs/dbraw/zinc/71/37/72/455713772.db2.gz KFEUDAZZXCCTDB-MISYRCLQSA-N 2 2 325.456 3.373 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000248399784 455713781 /nfs/dbraw/zinc/71/37/81/455713781.db2.gz KFEUDAZZXCCTDB-MISYRCLQSA-N 2 2 325.456 3.373 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559471 455720073 /nfs/dbraw/zinc/72/00/73/455720073.db2.gz MCKCUTLFNXSTBL-LIRRHRJNSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559471 455720075 /nfs/dbraw/zinc/72/00/75/455720075.db2.gz MCKCUTLFNXSTBL-LIRRHRJNSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559471 455720077 /nfs/dbraw/zinc/72/00/77/455720077.db2.gz MCKCUTLFNXSTBL-LIRRHRJNSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000248559471 455720079 /nfs/dbraw/zinc/72/00/79/455720079.db2.gz MCKCUTLFNXSTBL-LIRRHRJNSA-N 2 2 348.437 3.486 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250153372 455785719 /nfs/dbraw/zinc/78/57/19/455785719.db2.gz BKYVEAREQZXXTO-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250153372 455785722 /nfs/dbraw/zinc/78/57/22/455785722.db2.gz BKYVEAREQZXXTO-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000270291154 455922263 /nfs/dbraw/zinc/92/22/63/455922263.db2.gz OXMNCICEFBLCIF-RTWAWAEBSA-N 2 2 332.451 3.407 10 0 EGAELP C[NH+](CCC[N@@H+](C)C[C@@H](O)c1cc(F)ccc1F)Cc1ccco1 ZINC000285882779 455934391 /nfs/dbraw/zinc/93/43/91/455934391.db2.gz ZNUVOIYLHSFWFL-GOSISDBHSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F)Cc1ccco1 ZINC000285882779 455934394 /nfs/dbraw/zinc/93/43/94/455934394.db2.gz ZNUVOIYLHSFWFL-GOSISDBHSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)c1cc(F)ccc1F ZINC000285882779 455934399 /nfs/dbraw/zinc/93/43/99/455934399.db2.gz ZNUVOIYLHSFWFL-GOSISDBHSA-N 2 2 338.398 3.045 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)c1cc(F)ccc1F ZINC000285882779 455934402 /nfs/dbraw/zinc/93/44/02/455934402.db2.gz ZNUVOIYLHSFWFL-GOSISDBHSA-N 2 2 338.398 3.045 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000195261996 455938709 /nfs/dbraw/zinc/93/87/09/455938709.db2.gz GYWSJVIGYNMMOE-QGZVFWFLSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000195261996 455938711 /nfs/dbraw/zinc/93/87/11/455938711.db2.gz GYWSJVIGYNMMOE-QGZVFWFLSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000195261996 455938714 /nfs/dbraw/zinc/93/87/14/455938714.db2.gz GYWSJVIGYNMMOE-QGZVFWFLSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000195261996 455938716 /nfs/dbraw/zinc/93/87/16/455938716.db2.gz GYWSJVIGYNMMOE-QGZVFWFLSA-N 2 2 345.512 3.284 10 0 EGAELP COc1cc(C[N@H+](CC[NH3+])CCc2ccccc2)cc(Cl)c1OC ZINC000261962786 455978419 /nfs/dbraw/zinc/97/84/19/455978419.db2.gz HNBPWMWOGSRWJE-UHFFFAOYSA-N 2 2 348.874 3.361 10 0 EGAELP COc1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc(Cl)c1OC ZINC000261962786 455978424 /nfs/dbraw/zinc/97/84/24/455978424.db2.gz HNBPWMWOGSRWJE-UHFFFAOYSA-N 2 2 348.874 3.361 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](CC(F)F)CC1 ZINC000280755944 456045422 /nfs/dbraw/zinc/04/54/22/456045422.db2.gz QBYWOGANIOGFIT-UHFFFAOYSA-N 2 2 339.361 3.160 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+](CC(F)F)CC1 ZINC000280755944 456045428 /nfs/dbraw/zinc/04/54/28/456045428.db2.gz QBYWOGANIOGFIT-UHFFFAOYSA-N 2 2 339.361 3.160 10 0 EGAELP Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c2[nH+]ccn2c1 ZINC000623785647 460716858 /nfs/dbraw/zinc/71/68/58/460716858.db2.gz ALHKVSWJUYFLHP-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP Cc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c2[nH+]ccn2c1 ZINC000623785647 460716861 /nfs/dbraw/zinc/71/68/61/460716861.db2.gz ALHKVSWJUYFLHP-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271213171 456176697 /nfs/dbraw/zinc/17/66/97/456176697.db2.gz WBYGZDHWPYWAFE-UHFFFAOYSA-N 2 2 337.427 3.188 10 0 EGAELP CCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000236985932 456214494 /nfs/dbraw/zinc/21/44/94/456214494.db2.gz HYPWJWBIAZPRTA-UHFFFAOYSA-N 2 2 341.455 3.248 10 0 EGAELP COc1ccc2oc(C[NH2+][C@H]3CCO[C@H](c4c[nH+]cn4C)C3)cc2c1 ZINC000275498250 456276082 /nfs/dbraw/zinc/27/60/82/456276082.db2.gz JMJKRAGJQOFCJT-LIRRHRJNSA-N 2 2 341.411 3.185 10 0 EGAELP CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000340288621 456364681 /nfs/dbraw/zinc/36/46/81/456364681.db2.gz UNNCAPJIJIAOBP-LJQANCHMSA-N 2 2 342.531 3.106 10 0 EGAELP CC1(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000340288621 456364687 /nfs/dbraw/zinc/36/46/87/456364687.db2.gz UNNCAPJIJIAOBP-LJQANCHMSA-N 2 2 342.531 3.106 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935832 456366189 /nfs/dbraw/zinc/36/61/89/456366189.db2.gz DRILAVMBBAQKAW-IEBWSBKVSA-N 2 2 325.456 3.132 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935832 456366192 /nfs/dbraw/zinc/36/61/92/456366192.db2.gz DRILAVMBBAQKAW-IEBWSBKVSA-N 2 2 325.456 3.132 10 0 EGAELP CC(C)Cc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282209704 456442998 /nfs/dbraw/zinc/44/29/98/456442998.db2.gz XVQDEPNGBFYBKP-HNNXBMFYSA-N 2 2 343.475 3.181 10 0 EGAELP CC(C)Cc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282209704 456443003 /nfs/dbraw/zinc/44/30/03/456443003.db2.gz XVQDEPNGBFYBKP-HNNXBMFYSA-N 2 2 343.475 3.181 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281967 456507220 /nfs/dbraw/zinc/50/72/20/456507220.db2.gz ABWDJRFDMCZMRY-XOKHGSTOSA-N 2 2 339.886 3.156 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000343281967 456507223 /nfs/dbraw/zinc/50/72/23/456507223.db2.gz ABWDJRFDMCZMRY-XOKHGSTOSA-N 2 2 339.886 3.156 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797416 462272274 /nfs/dbraw/zinc/27/22/74/462272274.db2.gz MQKCELRJCHIDFW-IEBWSBKVSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)C1 ZINC000657797416 462272280 /nfs/dbraw/zinc/27/22/80/462272280.db2.gz MQKCELRJCHIDFW-IEBWSBKVSA-N 2 2 343.515 3.237 10 0 EGAELP C[C@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000348256263 456575533 /nfs/dbraw/zinc/57/55/33/456575533.db2.gz LSGIOSWKYKXBHT-XJKSGUPXSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2csc(N(C)C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000348256263 456575539 /nfs/dbraw/zinc/57/55/39/456575539.db2.gz LSGIOSWKYKXBHT-XJKSGUPXSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468194 456641225 /nfs/dbraw/zinc/64/12/25/456641225.db2.gz DTTWKNSWTZMUBC-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468194 456641229 /nfs/dbraw/zinc/64/12/29/456641229.db2.gz DTTWKNSWTZMUBC-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324249430 456664136 /nfs/dbraw/zinc/66/41/36/456664136.db2.gz ZQDLXZKNXJDJCA-HKUYNNGSSA-N 2 2 330.472 3.252 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324249430 456664142 /nfs/dbraw/zinc/66/41/42/456664142.db2.gz ZQDLXZKNXJDJCA-HKUYNNGSSA-N 2 2 330.472 3.252 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505313 456665958 /nfs/dbraw/zinc/66/59/58/456665958.db2.gz DEVFWZKWOUIVDL-BEFAXECRSA-N 2 2 327.472 3.246 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343505313 456665966 /nfs/dbraw/zinc/66/59/66/456665966.db2.gz DEVFWZKWOUIVDL-BEFAXECRSA-N 2 2 327.472 3.246 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324625551 456671095 /nfs/dbraw/zinc/67/10/95/456671095.db2.gz PCOWOHISPIJESQ-PKOBYXMFSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324625551 456671102 /nfs/dbraw/zinc/67/11/02/456671102.db2.gz PCOWOHISPIJESQ-PKOBYXMFSA-N 2 2 329.488 3.213 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000325087512 456678163 /nfs/dbraw/zinc/67/81/63/456678163.db2.gz IYSHUIDOSZMNRG-GJZGRUSLSA-N 2 2 346.500 3.337 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000325087512 456678172 /nfs/dbraw/zinc/67/81/72/456678172.db2.gz IYSHUIDOSZMNRG-GJZGRUSLSA-N 2 2 346.500 3.337 10 0 EGAELP c1cnc2ccc(C[N@H+](Cc3cncnc3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000328628694 456724539 /nfs/dbraw/zinc/72/45/39/456724539.db2.gz HNONAHOQZKHFAT-FQEVSTJZSA-N 2 2 347.466 3.169 10 0 EGAELP c1cnc2ccc(C[N@@H+](Cc3cncnc3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000328628694 456724542 /nfs/dbraw/zinc/72/45/42/456724542.db2.gz HNONAHOQZKHFAT-FQEVSTJZSA-N 2 2 347.466 3.169 10 0 EGAELP CCOc1cccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)c1 ZINC000328642416 456725836 /nfs/dbraw/zinc/72/58/36/456725836.db2.gz QZPWRJSIHWJBIO-LJQANCHMSA-N 2 2 325.456 3.092 10 0 EGAELP CCOc1cccc(C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)c1 ZINC000328642416 456725841 /nfs/dbraw/zinc/72/58/41/456725841.db2.gz QZPWRJSIHWJBIO-LJQANCHMSA-N 2 2 325.456 3.092 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c[nH+]1 ZINC000353613225 456802906 /nfs/dbraw/zinc/80/29/06/456802906.db2.gz DITSLNOLCQSRRW-QGZVFWFLSA-N 2 2 331.504 3.195 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000348845443 456882900 /nfs/dbraw/zinc/88/29/00/456882900.db2.gz YVDDYMHAEYOXBD-HNNXBMFYSA-N 2 2 334.423 3.028 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000348845443 456882903 /nfs/dbraw/zinc/88/29/03/456882903.db2.gz YVDDYMHAEYOXBD-HNNXBMFYSA-N 2 2 334.423 3.028 10 0 EGAELP c1cn(-c2ccc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)cc2)c[nH+]1 ZINC000344980284 456886190 /nfs/dbraw/zinc/88/61/90/456886190.db2.gz HSBVROOBJPQCEE-QGZVFWFLSA-N 2 2 343.496 3.407 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000339143543 456961452 /nfs/dbraw/zinc/96/14/52/456961452.db2.gz FIONBBNURHILHO-UHFFFAOYSA-N 2 2 340.471 3.239 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000349601169 456993915 /nfs/dbraw/zinc/99/39/15/456993915.db2.gz RQPMAWCZUXDQFI-LAUBAEHRSA-N 2 2 349.482 3.357 10 0 EGAELP CC[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360175449 457289108 /nfs/dbraw/zinc/28/91/08/457289108.db2.gz UWBGSVFPOAYNQT-RHSMWYFYSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360175449 457289111 /nfs/dbraw/zinc/28/91/11/457289111.db2.gz UWBGSVFPOAYNQT-RHSMWYFYSA-N 2 2 336.361 3.450 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270256 457322787 /nfs/dbraw/zinc/32/27/87/457322787.db2.gz BEWJRXZRXHXELZ-BHYGNILZSA-N 2 2 344.421 3.454 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270256 457322792 /nfs/dbraw/zinc/32/27/92/457322792.db2.gz BEWJRXZRXHXELZ-BHYGNILZSA-N 2 2 344.421 3.454 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352116725 457338694 /nfs/dbraw/zinc/33/86/94/457338694.db2.gz ZIRXXWDWBLUBSJ-MJGOQNOKSA-N 2 2 332.488 3.391 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352116725 457338699 /nfs/dbraw/zinc/33/86/99/457338699.db2.gz ZIRXXWDWBLUBSJ-MJGOQNOKSA-N 2 2 332.488 3.391 10 0 EGAELP Cc1cc(Cl)cc(C)c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000355364743 457364841 /nfs/dbraw/zinc/36/48/41/457364841.db2.gz JFNPDIBZXOFGJD-UHFFFAOYSA-N 2 2 330.863 3.377 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000385994030 457429971 /nfs/dbraw/zinc/42/99/71/457429971.db2.gz BITWKSYQGBUNPA-CGTJXYLNSA-N 2 2 338.480 3.015 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000385994030 457429974 /nfs/dbraw/zinc/42/99/74/457429974.db2.gz BITWKSYQGBUNPA-CGTJXYLNSA-N 2 2 338.480 3.015 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000360976990 457483501 /nfs/dbraw/zinc/48/35/01/457483501.db2.gz ZRLXBDIJRIAHDM-SVFBPWRDSA-N 2 2 343.515 3.231 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000360976983 457483862 /nfs/dbraw/zinc/48/38/62/457483862.db2.gz ZRLXBDIJRIAHDM-QKNQBKEWSA-N 2 2 343.515 3.231 10 0 EGAELP COc1ccc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000398037257 457495277 /nfs/dbraw/zinc/49/52/77/457495277.db2.gz UVNOXFQQRJTVRX-FQEVSTJZSA-N 2 2 325.456 3.235 10 0 EGAELP COc1ccc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000398037257 457495284 /nfs/dbraw/zinc/49/52/84/457495284.db2.gz UVNOXFQQRJTVRX-FQEVSTJZSA-N 2 2 325.456 3.235 10 0 EGAELP CCOc1ccc(C[NH+]2CCN(Cc3c[nH+]cn3C(C)C)CC2)cc1 ZINC000425319648 457495808 /nfs/dbraw/zinc/49/58/08/457495808.db2.gz BJCRODLONGPJBW-UHFFFAOYSA-N 2 2 342.487 3.181 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000399012113 457503550 /nfs/dbraw/zinc/50/35/50/457503550.db2.gz YNMJAWWTJNLVOS-MDZLAQPJSA-N 2 2 327.266 3.249 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)[nH+]1 ZINC000374198034 457519210 /nfs/dbraw/zinc/51/92/10/457519210.db2.gz GDXVPGQTSZCPSD-UHFFFAOYSA-N 2 2 347.466 3.464 10 0 EGAELP c1cn2c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c(C3CC3)nc2s1 ZINC000361049256 457544255 /nfs/dbraw/zinc/54/42/55/457544255.db2.gz QRKBULDZWLTGJJ-UHFFFAOYSA-N 2 2 327.457 3.376 10 0 EGAELP CC1(C)OCc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc2O1 ZINC000364248845 457546203 /nfs/dbraw/zinc/54/62/03/457546203.db2.gz INLANSDGJXUHOH-UHFFFAOYSA-N 2 2 327.428 3.434 10 0 EGAELP COc1cc2c(c(C[NH2+]C3CC([NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000370131265 457556419 /nfs/dbraw/zinc/55/64/19/457556419.db2.gz JULNXUDMPYVCTL-RWBZWWBESA-N 2 2 330.472 3.125 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361073113 457564328 /nfs/dbraw/zinc/56/43/28/457564328.db2.gz JDGNYAKLMLUIMQ-UHFFFAOYSA-N 2 2 340.471 3.322 10 0 EGAELP CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352757161 457585485 /nfs/dbraw/zinc/58/54/85/457585485.db2.gz FMOCFQAYIFNTJT-KRWDZBQOSA-N 2 2 349.544 3.047 10 0 EGAELP CC[C@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352757161 457585492 /nfs/dbraw/zinc/58/54/92/457585492.db2.gz FMOCFQAYIFNTJT-KRWDZBQOSA-N 2 2 349.544 3.047 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@H](C)[C@H]3C)c2cc1C ZINC000409467361 457600305 /nfs/dbraw/zinc/60/03/05/457600305.db2.gz JQDGRBVBNPBSML-BVPBIZIASA-N 2 2 329.488 3.380 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@H](C)[C@H]3C)c2cc1C ZINC000409467361 457600309 /nfs/dbraw/zinc/60/03/09/457600309.db2.gz JQDGRBVBNPBSML-BVPBIZIASA-N 2 2 329.488 3.380 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000358001848 457736434 /nfs/dbraw/zinc/73/64/34/457736434.db2.gz FHGWWTIIQYDREM-UHIISALHSA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000358001848 457736437 /nfs/dbraw/zinc/73/64/37/457736437.db2.gz FHGWWTIIQYDREM-UHIISALHSA-N 2 2 327.266 3.058 10 0 EGAELP CCOc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1OC(F)F ZINC000358112456 457793774 /nfs/dbraw/zinc/79/37/74/457793774.db2.gz BKZVCAYGUONXQV-UHFFFAOYSA-N 2 2 340.414 3.428 10 0 EGAELP CCOc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1OC(F)F ZINC000358112456 457793781 /nfs/dbraw/zinc/79/37/81/457793781.db2.gz BKZVCAYGUONXQV-UHFFFAOYSA-N 2 2 340.414 3.428 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298909 457917989 /nfs/dbraw/zinc/91/79/89/457917989.db2.gz MMKDPHQWOVAPAJ-OXQOHEQNSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298909 457917999 /nfs/dbraw/zinc/91/79/99/457917999.db2.gz MMKDPHQWOVAPAJ-OXQOHEQNSA-N 2 2 334.467 3.124 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701729 457954460 /nfs/dbraw/zinc/95/44/60/457954460.db2.gz YHVFOQNOSUMKTI-FPOVZHCZSA-N 2 2 343.515 3.108 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701729 457954468 /nfs/dbraw/zinc/95/44/68/457954468.db2.gz YHVFOQNOSUMKTI-FPOVZHCZSA-N 2 2 343.515 3.108 10 0 EGAELP COC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000361922861 457956713 /nfs/dbraw/zinc/95/67/13/457956713.db2.gz CCMBEKOXAYGQQA-KTLDDFEXSA-N 2 2 331.504 3.087 10 0 EGAELP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000361922861 457956720 /nfs/dbraw/zinc/95/67/20/457956720.db2.gz CCMBEKOXAYGQQA-KTLDDFEXSA-N 2 2 331.504 3.087 10 0 EGAELP c1c[nH]c([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)n1 ZINC000375521005 457959260 /nfs/dbraw/zinc/95/92/60/457959260.db2.gz WCZQWVREEDPRJM-IBGZPJMESA-N 2 2 333.439 3.153 10 0 EGAELP CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCC1 ZINC000372671506 458314237 /nfs/dbraw/zinc/31/42/37/458314237.db2.gz DVJNIFJHRINWRH-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP Cn1c(CCC[NH2+]Cc2ccnn2-c2ccccc2)[nH+]c2ccccc21 ZINC000447941662 458367663 /nfs/dbraw/zinc/36/76/63/458367663.db2.gz RWLNMZPQBBOGIO-UHFFFAOYSA-N 2 2 345.450 3.481 10 0 EGAELP CCOC(=O)[C@@H](CCC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459477944 458386082 /nfs/dbraw/zinc/38/60/82/458386082.db2.gz INWCKDIGHMKVNO-GOSISDBHSA-N 2 2 347.503 3.398 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000459522364 458398886 /nfs/dbraw/zinc/39/88/86/458398886.db2.gz IASDYTUZJFUTBT-QHGAOEGBSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459660445 458439025 /nfs/dbraw/zinc/43/90/25/458439025.db2.gz OIYREZRTZBHBOW-JXFKEZNVSA-N 3 2 326.488 3.467 10 0 EGAELP CCCCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000377776097 458523008 /nfs/dbraw/zinc/52/30/08/458523008.db2.gz JJTOPVZXEWGADU-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP CCCCOc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000377776097 458523016 /nfs/dbraw/zinc/52/30/16/458523016.db2.gz JJTOPVZXEWGADU-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438096459 458531446 /nfs/dbraw/zinc/53/14/46/458531446.db2.gz JHWGDAFDSNVKFB-CTNGQTDRSA-N 2 2 338.499 3.048 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761463 458558580 /nfs/dbraw/zinc/55/85/80/458558580.db2.gz FNCYJGUBMFPUAY-RDTXWAMCSA-N 2 2 330.472 3.214 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761463 458558584 /nfs/dbraw/zinc/55/85/84/458558584.db2.gz FNCYJGUBMFPUAY-RDTXWAMCSA-N 2 2 330.472 3.214 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424281097 458602174 /nfs/dbraw/zinc/60/21/74/458602174.db2.gz MUHIIFGBDZWMHS-MMIASXOFSA-N 2 2 328.500 3.300 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424281097 458602180 /nfs/dbraw/zinc/60/21/80/458602180.db2.gz MUHIIFGBDZWMHS-MMIASXOFSA-N 2 2 328.500 3.300 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cccc3nccn32)CCC[N@@H+]1Cc1ccccc1 ZINC000494481285 458685258 /nfs/dbraw/zinc/68/52/58/458685258.db2.gz FKJKWWPDOIKWNE-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cccc3nccn32)CCC[N@H+]1Cc1ccccc1 ZINC000494481285 458685263 /nfs/dbraw/zinc/68/52/63/458685263.db2.gz FKJKWWPDOIKWNE-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc(-c3ccccc3)n2)CCCO1 ZINC000432344207 458719207 /nfs/dbraw/zinc/71/92/07/458719207.db2.gz CGNMIROSCMNBHE-INIZCTEOSA-N 2 2 345.512 3.401 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc(-c3ccccc3)n2)CCCO1 ZINC000432344207 458719216 /nfs/dbraw/zinc/71/92/16/458719216.db2.gz CGNMIROSCMNBHE-INIZCTEOSA-N 2 2 345.512 3.401 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231244 458725474 /nfs/dbraw/zinc/72/54/74/458725474.db2.gz HCRYYKMQUMCMPP-LEDRIZOLSA-N 2 2 328.500 3.148 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231244 458725478 /nfs/dbraw/zinc/72/54/78/458725478.db2.gz HCRYYKMQUMCMPP-LEDRIZOLSA-N 2 2 328.500 3.148 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241342 458727408 /nfs/dbraw/zinc/72/74/08/458727408.db2.gz CEHPTZKWIAGLDP-IRXDYDNUSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241342 458727414 /nfs/dbraw/zinc/72/74/14/458727414.db2.gz CEHPTZKWIAGLDP-IRXDYDNUSA-N 2 2 342.405 3.345 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028685 /nfs/dbraw/zinc/02/86/85/459028685.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 3 2 341.543 3.359 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028687 /nfs/dbraw/zinc/02/86/87/459028687.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028694 /nfs/dbraw/zinc/02/86/94/459028694.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028699 /nfs/dbraw/zinc/02/86/99/459028699.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 3 2 341.543 3.359 10 0 EGAELP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126623 459090000 /nfs/dbraw/zinc/09/00/00/459090000.db2.gz RADKXZLOELKYRR-NRFANRHFSA-N 2 2 326.484 3.310 10 0 EGAELP CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126623 459090004 /nfs/dbraw/zinc/09/00/04/459090004.db2.gz RADKXZLOELKYRR-NRFANRHFSA-N 2 2 326.484 3.310 10 0 EGAELP CC[NH+](Cc1ccc(C)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126623 459090011 /nfs/dbraw/zinc/09/00/11/459090011.db2.gz RADKXZLOELKYRR-NRFANRHFSA-N 2 2 326.484 3.310 10 0 EGAELP CC[NH+](Cc1ccc(C)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126623 459090019 /nfs/dbraw/zinc/09/00/19/459090019.db2.gz RADKXZLOELKYRR-NRFANRHFSA-N 2 2 326.484 3.310 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884704 459114308 /nfs/dbraw/zinc/11/43/08/459114308.db2.gz VSKFYVORCHCITD-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884704 459114314 /nfs/dbraw/zinc/11/43/14/459114314.db2.gz VSKFYVORCHCITD-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884704 459114321 /nfs/dbraw/zinc/11/43/21/459114321.db2.gz VSKFYVORCHCITD-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)nc3)C2)C1 ZINC000577884704 459114325 /nfs/dbraw/zinc/11/43/25/459114325.db2.gz VSKFYVORCHCITD-OAQYLSRUSA-N 2 2 337.467 3.188 10 0 EGAELP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000578446029 459202989 /nfs/dbraw/zinc/20/29/89/459202989.db2.gz CSJCVTJDHRYDED-LBPRGKRZSA-N 2 2 347.488 3.086 10 0 EGAELP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000578446029 459202996 /nfs/dbraw/zinc/20/29/96/459202996.db2.gz CSJCVTJDHRYDED-LBPRGKRZSA-N 2 2 347.488 3.086 10 0 EGAELP Cc1cccn2c(C[NH2+]CC3(C(=O)OC(C)(C)C)CCC3)c[nH+]c12 ZINC000594993070 459208809 /nfs/dbraw/zinc/20/88/09/459208809.db2.gz ACGCOHFLVROPQG-UHFFFAOYSA-N 2 2 329.444 3.244 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000595025246 459219954 /nfs/dbraw/zinc/21/99/54/459219954.db2.gz KDROUQQDFHPGDW-MRXNPFEDSA-N 2 2 346.515 3.043 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081871 459308340 /nfs/dbraw/zinc/30/83/40/459308340.db2.gz ATWRLQRYPNUWOT-INIZCTEOSA-N 2 2 338.411 3.384 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081871 459308341 /nfs/dbraw/zinc/30/83/41/459308341.db2.gz ATWRLQRYPNUWOT-INIZCTEOSA-N 2 2 338.411 3.384 10 0 EGAELP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1 ZINC000591868782 459459820 /nfs/dbraw/zinc/45/98/20/459459820.db2.gz DYNRULIVVLQWQL-INIZCTEOSA-N 2 2 332.835 3.202 10 0 EGAELP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1 ZINC000591868782 459459824 /nfs/dbraw/zinc/45/98/24/459459824.db2.gz DYNRULIVVLQWQL-INIZCTEOSA-N 2 2 332.835 3.202 10 0 EGAELP COc1cncc(/C=C/CC[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000583438210 459538233 /nfs/dbraw/zinc/53/82/33/459538233.db2.gz YJWGVKGBPMBRAP-HWKANZROSA-N 2 2 338.455 3.019 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592425557 459598396 /nfs/dbraw/zinc/59/83/96/459598396.db2.gz IPFGMVYHQRLGRW-RHSMWYFYSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592425557 459598399 /nfs/dbraw/zinc/59/83/99/459598399.db2.gz IPFGMVYHQRLGRW-RHSMWYFYSA-N 2 2 336.863 3.091 10 0 EGAELP Cc1cccc(C[NH+](CCCc2c[nH+]cn2C)Cc2cccc(C)n2)n1 ZINC000584060838 459645175 /nfs/dbraw/zinc/64/51/75/459645175.db2.gz GFFIKEFDNQXUNI-UHFFFAOYSA-N 2 2 349.482 3.462 10 0 EGAELP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1OC ZINC000527653503 459685602 /nfs/dbraw/zinc/68/56/02/459685602.db2.gz LMGYSASNRWTHNQ-OAHLLOKOSA-N 2 2 338.467 3.443 10 0 EGAELP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)cc1OC ZINC000527653503 459685605 /nfs/dbraw/zinc/68/56/05/459685605.db2.gz LMGYSASNRWTHNQ-OAHLLOKOSA-N 2 2 338.467 3.443 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2nc3ccccc3s2)n1C ZINC000527744515 459722650 /nfs/dbraw/zinc/72/26/50/459722650.db2.gz LFCVNGGOIBNMFB-UHFFFAOYSA-N 2 2 329.473 3.121 10 0 EGAELP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000527792462 459737285 /nfs/dbraw/zinc/73/72/85/459737285.db2.gz AHZZYIJZUKGGST-VQIMIIECSA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000527792462 459737294 /nfs/dbraw/zinc/73/72/94/459737294.db2.gz AHZZYIJZUKGGST-VQIMIIECSA-N 2 2 325.456 3.058 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)s2)cn1 ZINC000527806749 459743737 /nfs/dbraw/zinc/74/37/37/459743737.db2.gz FHYKTPWZWAAIED-INIZCTEOSA-N 2 2 330.501 3.255 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)s2)cn1 ZINC000527806749 459743740 /nfs/dbraw/zinc/74/37/40/459743740.db2.gz FHYKTPWZWAAIED-INIZCTEOSA-N 2 2 330.501 3.255 10 0 EGAELP c1cn(-c2csc(C[NH+]3CCN(Cc4ccsc4)CC3)c2)c[nH+]1 ZINC000544348375 459750837 /nfs/dbraw/zinc/75/08/37/459750837.db2.gz LFXYMROUVROIMX-UHFFFAOYSA-N 2 2 344.509 3.313 10 0 EGAELP CCC[NH+]1CCC(Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000527832158 459753512 /nfs/dbraw/zinc/75/35/12/459753512.db2.gz MELWIEUCIPPLNA-UHFFFAOYSA-N 2 2 337.471 3.283 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944486 459778455 /nfs/dbraw/zinc/77/84/55/459778455.db2.gz DIOIILDYSCWVFV-WMLDXEAASA-N 2 2 343.471 3.075 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944486 459778460 /nfs/dbraw/zinc/77/84/60/459778460.db2.gz DIOIILDYSCWVFV-WMLDXEAASA-N 2 2 343.471 3.075 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000527951933 459780582 /nfs/dbraw/zinc/78/05/82/459780582.db2.gz RUXPURKSWSFCQK-WIRVKHDMSA-N 2 2 334.529 3.482 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000527951933 459780584 /nfs/dbraw/zinc/78/05/84/459780584.db2.gz RUXPURKSWSFCQK-WIRVKHDMSA-N 2 2 334.529 3.482 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527951123 459781458 /nfs/dbraw/zinc/78/14/58/459781458.db2.gz QHNSVGKGIRIYMG-AOIWGVFYSA-N 2 2 330.520 3.443 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527951123 459781459 /nfs/dbraw/zinc/78/14/59/459781459.db2.gz QHNSVGKGIRIYMG-AOIWGVFYSA-N 2 2 330.520 3.443 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000574156987 459785923 /nfs/dbraw/zinc/78/59/23/459785923.db2.gz NQGQDOQBORWDKY-NVXWUHKLSA-N 2 2 339.487 3.215 10 0 EGAELP Cc1ncncc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000584729837 459792631 /nfs/dbraw/zinc/79/26/31/459792631.db2.gz FSGKSBNONCFSBG-GRTSSRMGSA-N 2 2 342.409 3.241 10 0 EGAELP C[S@](=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779649 459801036 /nfs/dbraw/zinc/80/10/36/459801036.db2.gz HOKPWGSUKBAWSW-UUOWRZLLSA-N 2 2 346.540 3.074 10 0 EGAELP C[S@](=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779649 459801041 /nfs/dbraw/zinc/80/10/41/459801041.db2.gz HOKPWGSUKBAWSW-UUOWRZLLSA-N 2 2 346.540 3.074 10 0 EGAELP CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC(F)F ZINC000584840062 459812015 /nfs/dbraw/zinc/81/20/15/459812015.db2.gz XKURIFUSKKGWMJ-GOSISDBHSA-N 2 2 340.414 3.262 10 0 EGAELP CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC(F)F ZINC000584840062 459812020 /nfs/dbraw/zinc/81/20/20/459812020.db2.gz XKURIFUSKKGWMJ-GOSISDBHSA-N 2 2 340.414 3.262 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1C ZINC000597087585 459834279 /nfs/dbraw/zinc/83/42/79/459834279.db2.gz IJUMOIJLMZIIJK-XIRDDKMYSA-N 2 2 333.476 3.203 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1C ZINC000597087585 459834282 /nfs/dbraw/zinc/83/42/82/459834282.db2.gz IJUMOIJLMZIIJK-XIRDDKMYSA-N 2 2 333.476 3.203 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000586780986 459871355 /nfs/dbraw/zinc/87/13/55/459871355.db2.gz YWCUWKQHNYNELO-QGZVFWFLSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000586780986 459871360 /nfs/dbraw/zinc/87/13/60/459871360.db2.gz YWCUWKQHNYNELO-QGZVFWFLSA-N 2 2 332.488 3.218 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n(CCc2ccccc2)n1 ZINC000621715476 460019153 /nfs/dbraw/zinc/01/91/53/460019153.db2.gz VUGFDUHXLKPNTD-IBGZPJMESA-N 2 2 335.455 3.159 10 0 EGAELP c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n(CCc2ccccc2)n1 ZINC000621715476 460019159 /nfs/dbraw/zinc/01/91/59/460019159.db2.gz VUGFDUHXLKPNTD-IBGZPJMESA-N 2 2 335.455 3.159 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n(CCc2ccccc2)n1 ZINC000621717440 460021993 /nfs/dbraw/zinc/02/19/93/460021993.db2.gz DRRAEZQKBHDWBD-FQEVSTJZSA-N 2 2 338.499 3.044 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n(CCc2ccccc2)n1 ZINC000621717440 460021999 /nfs/dbraw/zinc/02/19/99/460021999.db2.gz DRRAEZQKBHDWBD-FQEVSTJZSA-N 2 2 338.499 3.044 10 0 EGAELP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000599697996 460314583 /nfs/dbraw/zinc/31/45/83/460314583.db2.gz TYTDIPZQZMCARN-ALXJQNPVSA-N 2 2 341.455 3.343 10 0 EGAELP COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000599697996 460314586 /nfs/dbraw/zinc/31/45/86/460314586.db2.gz TYTDIPZQZMCARN-ALXJQNPVSA-N 2 2 341.455 3.343 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCSc2ccccc2F)CC1 ZINC000625959500 460315639 /nfs/dbraw/zinc/31/56/39/460315639.db2.gz VOGQBBGLJQKFNP-UHFFFAOYSA-N 2 2 338.492 3.105 10 0 EGAELP CC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061981 460358578 /nfs/dbraw/zinc/35/85/78/460358578.db2.gz BKTZYFLTDGCROD-UHFFFAOYSA-N 2 2 340.427 3.413 10 0 EGAELP CC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061981 460358583 /nfs/dbraw/zinc/35/85/83/460358583.db2.gz BKTZYFLTDGCROD-UHFFFAOYSA-N 2 2 340.427 3.413 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4CCCC[C@@]43C)c2cc1C ZINC000626104805 460372018 /nfs/dbraw/zinc/37/20/18/460372018.db2.gz DTFDLFAYLIMHAR-ZWOKBUDYSA-N 2 2 327.472 3.279 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4CCCC[C@@]43C)c2cc1C ZINC000626104805 460372020 /nfs/dbraw/zinc/37/20/20/460372020.db2.gz DTFDLFAYLIMHAR-ZWOKBUDYSA-N 2 2 327.472 3.279 10 0 EGAELP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n1 ZINC000600129815 460395397 /nfs/dbraw/zinc/39/53/97/460395397.db2.gz LTNRXMGSHZETTE-UHFFFAOYSA-N 2 2 345.487 3.003 10 0 EGAELP CC(=O)N1CCC([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631681053 460506242 /nfs/dbraw/zinc/50/62/42/460506242.db2.gz URYJGXZGZMPESW-NRFANRHFSA-N 2 2 343.515 3.032 10 0 EGAELP CC(=O)N1CCC([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631681053 460506246 /nfs/dbraw/zinc/50/62/46/460506246.db2.gz URYJGXZGZMPESW-NRFANRHFSA-N 2 2 343.515 3.032 10 0 EGAELP CN(C)c1ccc(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)c[nH+]1 ZINC000623848349 460741766 /nfs/dbraw/zinc/74/17/66/460741766.db2.gz QLYCVWHHPHBYKR-UHFFFAOYSA-N 2 2 346.438 3.070 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629408507 460748177 /nfs/dbraw/zinc/74/81/77/460748177.db2.gz VYPAZLFYCDJPEK-QPUJVOFHSA-N 2 2 337.183 3.308 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C[NH2+]1 ZINC000629411921 460749219 /nfs/dbraw/zinc/74/92/19/460749219.db2.gz IULWCPVFJGKLBS-KOLCDFICSA-N 2 2 349.219 3.281 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC3CC[NH+](CC4CC4)CC3)n1)C2 ZINC000623875799 460756654 /nfs/dbraw/zinc/75/66/54/460756654.db2.gz WVJMPHKKDMGDJV-UHFFFAOYSA-N 2 2 349.482 3.283 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629546634 460803174 /nfs/dbraw/zinc/80/31/74/460803174.db2.gz UXCZZWKMLNAIRQ-SRMUXQRQSA-N 2 2 339.277 3.009 10 0 EGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652415 460847456 /nfs/dbraw/zinc/84/74/56/460847456.db2.gz AHDUNSRZMZVPTJ-WBNAFJIESA-N 2 2 328.378 3.168 10 0 EGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652415 460847461 /nfs/dbraw/zinc/84/74/61/460847461.db2.gz AHDUNSRZMZVPTJ-WBNAFJIESA-N 2 2 328.378 3.168 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[NH2+]1 ZINC000629659592 460853897 /nfs/dbraw/zinc/85/38/97/460853897.db2.gz CTNVXUKKDMYGEX-LPHOPBHVSA-N 2 2 338.499 3.455 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[NH2+]1 ZINC000629660175 460853942 /nfs/dbraw/zinc/85/39/42/460853942.db2.gz PJNJLBYGFLFMOL-APWZRJJASA-N 2 2 347.466 3.164 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C[NH2+]1 ZINC000629660548 460853976 /nfs/dbraw/zinc/85/39/76/460853976.db2.gz VTKZKXYYUCDLNC-DOTOQJQBSA-N 2 2 339.487 3.290 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C[NH2+]1 ZINC000629660551 460854017 /nfs/dbraw/zinc/85/40/17/460854017.db2.gz VTKZKXYYUCDLNC-WBVHZDCISA-N 2 2 339.487 3.290 10 0 EGAELP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189638 460903804 /nfs/dbraw/zinc/90/38/04/460903804.db2.gz VUKRLIRZKVICKG-KDOFPFPSSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189638 460903809 /nfs/dbraw/zinc/90/38/09/460903809.db2.gz VUKRLIRZKVICKG-KDOFPFPSSA-N 2 2 333.451 3.149 10 0 EGAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189709 460904376 /nfs/dbraw/zinc/90/43/76/460904376.db2.gz YSLJFCURLDGOBP-WMZOPIPTSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189709 460904380 /nfs/dbraw/zinc/90/43/80/460904380.db2.gz YSLJFCURLDGOBP-WMZOPIPTSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000608094086 460985887 /nfs/dbraw/zinc/98/58/87/460985887.db2.gz BTVSQIOVEHLSCK-QGZVFWFLSA-N 2 2 333.439 3.214 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633524726 461103021 /nfs/dbraw/zinc/10/30/21/461103021.db2.gz FZMJXCZDAVTPCT-AWEZNQCLSA-N 2 2 337.427 3.103 10 0 EGAELP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662270979 461158828 /nfs/dbraw/zinc/15/88/28/461158828.db2.gz CYNMYXGVNMSUDG-JTQLQIEISA-N 2 2 332.673 3.058 10 0 EGAELP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662270979 461158836 /nfs/dbraw/zinc/15/88/36/461158836.db2.gz CYNMYXGVNMSUDG-JTQLQIEISA-N 2 2 332.673 3.058 10 0 EGAELP Cn1c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2[nH+]c1C(C)(C)C ZINC000659315715 461289867 /nfs/dbraw/zinc/28/98/67/461289867.db2.gz WDMNHWOVXGLEHN-UHFFFAOYSA-N 2 2 340.471 3.471 10 0 EGAELP c1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668627882 461360247 /nfs/dbraw/zinc/36/02/47/461360247.db2.gz NFCYWXDNEQPUFL-IBGZPJMESA-N 2 2 326.444 3.048 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2oc3ccccc3c2Br)c1 ZINC000655780810 461443711 /nfs/dbraw/zinc/44/37/11/461443711.db2.gz KXIXJWIQDTXUNO-UHFFFAOYSA-N 2 2 334.217 3.261 10 0 EGAELP Fc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000659883390 461480355 /nfs/dbraw/zinc/48/03/55/461480355.db2.gz SHSHILWHKDJQGC-ZDUSSCGKSA-N 2 2 325.334 3.461 10 0 EGAELP Fc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000659883390 461480364 /nfs/dbraw/zinc/48/03/64/461480364.db2.gz SHSHILWHKDJQGC-ZDUSSCGKSA-N 2 2 325.334 3.461 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839604 461489043 /nfs/dbraw/zinc/48/90/43/461489043.db2.gz VGNKGXQCTSDXEF-DSLXNQLJSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839604 461489054 /nfs/dbraw/zinc/48/90/54/461489054.db2.gz VGNKGXQCTSDXEF-DSLXNQLJSA-N 2 2 331.504 3.228 10 0 EGAELP CC[N@H+](C[C@H](OC)C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973372 461524393 /nfs/dbraw/zinc/52/43/93/461524393.db2.gz PJDZMNLWRJNUEL-IBGZPJMESA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@@H+](C[C@H](OC)C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973372 461524400 /nfs/dbraw/zinc/52/44/00/461524400.db2.gz PJDZMNLWRJNUEL-IBGZPJMESA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@H+](CCO[C@@H]1CC1(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973846 461525339 /nfs/dbraw/zinc/52/53/39/461525339.db2.gz VODAQSDVIKNHRC-MRXNPFEDSA-N 2 2 339.430 3.044 10 0 EGAELP CC[N@@H+](CCO[C@@H]1CC1(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973846 461525348 /nfs/dbraw/zinc/52/53/48/461525348.db2.gz VODAQSDVIKNHRC-MRXNPFEDSA-N 2 2 339.430 3.044 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000647171615 461539951 /nfs/dbraw/zinc/53/99/51/461539951.db2.gz PVBXZKTUVYAZLL-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000647171615 461539960 /nfs/dbraw/zinc/53/99/60/461539960.db2.gz PVBXZKTUVYAZLL-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000660005592 461542407 /nfs/dbraw/zinc/54/24/07/461542407.db2.gz AYTOWAWQWQVMOV-JKSUJKDBSA-N 2 2 333.524 3.405 10 0 EGAELP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000660005592 461542413 /nfs/dbraw/zinc/54/24/13/461542413.db2.gz AYTOWAWQWQVMOV-JKSUJKDBSA-N 2 2 333.524 3.405 10 0 EGAELP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666300987 461555704 /nfs/dbraw/zinc/55/57/04/461555704.db2.gz ACZPUPKMOYWROZ-MRXNPFEDSA-N 2 2 338.455 3.139 10 0 EGAELP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666300987 461555710 /nfs/dbraw/zinc/55/57/10/461555710.db2.gz ACZPUPKMOYWROZ-MRXNPFEDSA-N 2 2 338.455 3.139 10 0 EGAELP COc1c(C)[nH+]cnc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000656113260 461598469 /nfs/dbraw/zinc/59/84/69/461598469.db2.gz PLQNNLOKOSVOJW-UHFFFAOYSA-N 2 2 332.473 3.179 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cn21 ZINC000647263088 461598712 /nfs/dbraw/zinc/59/87/12/461598712.db2.gz GIIUQXFFPTXCLH-FGTMMUONSA-N 2 2 327.472 3.370 10 0 EGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc2n(n1)CCCC2 ZINC000647281852 461608629 /nfs/dbraw/zinc/60/86/29/461608629.db2.gz MGPBOEFHRDECAR-QGZVFWFLSA-N 2 2 338.499 3.318 10 0 EGAELP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc2n(n1)CCCC2 ZINC000647281852 461608633 /nfs/dbraw/zinc/60/86/33/461608633.db2.gz MGPBOEFHRDECAR-QGZVFWFLSA-N 2 2 338.499 3.318 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343528 461648044 /nfs/dbraw/zinc/64/80/44/461648044.db2.gz VGNKGXQCTSDXEF-OQIJWPOYSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343528 461648051 /nfs/dbraw/zinc/64/80/51/461648051.db2.gz VGNKGXQCTSDXEF-OQIJWPOYSA-N 2 2 331.504 3.228 10 0 EGAELP COc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479524 461724492 /nfs/dbraw/zinc/72/44/92/461724492.db2.gz JVTJDPPRJUQCIL-HIFRSBDPSA-N 2 2 331.485 3.269 10 0 EGAELP COc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479524 461724501 /nfs/dbraw/zinc/72/45/01/461724501.db2.gz JVTJDPPRJUQCIL-HIFRSBDPSA-N 2 2 331.485 3.269 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000653580488 461738323 /nfs/dbraw/zinc/73/83/23/461738323.db2.gz SEDVHTGSGPPECO-FQEVSTJZSA-N 2 2 345.531 3.030 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000653580488 461738327 /nfs/dbraw/zinc/73/83/27/461738327.db2.gz SEDVHTGSGPPECO-FQEVSTJZSA-N 2 2 345.531 3.030 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000656430524 461739380 /nfs/dbraw/zinc/73/93/80/461739380.db2.gz GKRZJQYWCRTBIH-UHFFFAOYSA-N 2 2 342.418 3.321 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000656430524 461739391 /nfs/dbraw/zinc/73/93/91/461739391.db2.gz GKRZJQYWCRTBIH-UHFFFAOYSA-N 2 2 342.418 3.321 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)C[C@H]2C1 ZINC000643883530 461825963 /nfs/dbraw/zinc/82/59/63/461825963.db2.gz FKVMDIGWQCMZSN-UTBUEMAESA-N 2 2 339.483 3.497 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000653755959 461841834 /nfs/dbraw/zinc/84/18/34/461841834.db2.gz OKRSQOBWUAITSQ-UHFFFAOYSA-N 2 2 346.515 3.145 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899701 461875151 /nfs/dbraw/zinc/87/51/51/461875151.db2.gz SVHDEBLWHQNDAQ-FUHWJXTLSA-N 2 2 343.515 3.387 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899701 461875155 /nfs/dbraw/zinc/87/51/55/461875155.db2.gz SVHDEBLWHQNDAQ-FUHWJXTLSA-N 2 2 343.515 3.387 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901620 461876317 /nfs/dbraw/zinc/87/63/17/461876317.db2.gz RQKWEWSDLFCEQH-IAGOWNOFSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901620 461876324 /nfs/dbraw/zinc/87/63/24/461876324.db2.gz RQKWEWSDLFCEQH-IAGOWNOFSA-N 2 2 326.444 3.009 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901212 461876406 /nfs/dbraw/zinc/87/64/06/461876406.db2.gz LAMKZRMGBGLFRX-LPHOPBHVSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000647901212 461876413 /nfs/dbraw/zinc/87/64/13/461876413.db2.gz LAMKZRMGBGLFRX-LPHOPBHVSA-N 2 2 341.455 3.314 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900849 461876648 /nfs/dbraw/zinc/87/66/48/461876648.db2.gz FWWBEPDORXQKNX-MPGHIAIKSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900849 461876654 /nfs/dbraw/zinc/87/66/54/461876654.db2.gz FWWBEPDORXQKNX-MPGHIAIKSA-N 2 2 347.528 3.200 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903558 461877835 /nfs/dbraw/zinc/87/78/35/461877835.db2.gz LSTLNLTWALYCRO-WBVHZDCISA-N 2 2 325.456 3.123 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903558 461877845 /nfs/dbraw/zinc/87/78/45/461877845.db2.gz LSTLNLTWALYCRO-WBVHZDCISA-N 2 2 325.456 3.123 10 0 EGAELP c1cnn(-c2cccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2)c1 ZINC000656789433 461899525 /nfs/dbraw/zinc/89/95/25/461899525.db2.gz ZCLCODPHYGLHSK-NHCUHLMSSA-N 2 2 332.451 3.108 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000656790379 461899550 /nfs/dbraw/zinc/89/95/50/461899550.db2.gz YUEOAAFVLIYVDJ-UNMCSNQZSA-N 2 2 347.462 3.479 10 0 EGAELP Clc1ccc2[nH+]c(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)cn2c1 ZINC000656794353 461904843 /nfs/dbraw/zinc/90/48/43/461904843.db2.gz ZDQCFOGYMLLUTQ-QGZVFWFLSA-N 2 2 342.830 3.261 10 0 EGAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659730 461909584 /nfs/dbraw/zinc/90/95/84/461909584.db2.gz QHKCMGIDVPGVBB-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659730 461909594 /nfs/dbraw/zinc/90/95/94/461909594.db2.gz QHKCMGIDVPGVBB-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659730 461909603 /nfs/dbraw/zinc/90/96/03/461909603.db2.gz QHKCMGIDVPGVBB-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659730 461909611 /nfs/dbraw/zinc/90/96/11/461909611.db2.gz QHKCMGIDVPGVBB-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP Cc1cc2ccccc2[nH+]c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010775 461912546 /nfs/dbraw/zinc/91/25/46/461912546.db2.gz HTOZAOMNRQSRPZ-UHFFFAOYSA-N 2 2 325.456 3.234 10 0 EGAELP Cc1cc2ccccc2[nH+]c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664010775 461912552 /nfs/dbraw/zinc/91/25/52/461912552.db2.gz HTOZAOMNRQSRPZ-UHFFFAOYSA-N 2 2 325.456 3.234 10 0 EGAELP C(c1nc(C2CCC2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639451174 461929649 /nfs/dbraw/zinc/92/96/49/461929649.db2.gz LNBMYHZRLUGDPR-UHFFFAOYSA-N 2 2 332.492 3.425 10 0 EGAELP CC(=O)N1CC[N@H+](Cc2c(C)cc(C)[nH+]c2C)CC12CCCCC2 ZINC000639554170 461987197 /nfs/dbraw/zinc/98/71/97/461987197.db2.gz BOCDAOFGJQKSNS-UHFFFAOYSA-N 2 2 329.488 3.374 10 0 EGAELP CC(=O)N1CC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)CC12CCCCC2 ZINC000639554170 461987201 /nfs/dbraw/zinc/98/72/01/461987201.db2.gz BOCDAOFGJQKSNS-UHFFFAOYSA-N 2 2 329.488 3.374 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3n(n2)CCC3)c(C)c1 ZINC000657414381 462107905 /nfs/dbraw/zinc/10/79/05/462107905.db2.gz NDHZQKPYRHNWNL-HXUWFJFHSA-N 2 2 335.455 3.174 10 0 EGAELP c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000667549645 462138055 /nfs/dbraw/zinc/13/80/55/462138055.db2.gz SANKHQNJHVTLTJ-OAQYLSRUSA-N 2 2 348.450 3.449 10 0 EGAELP c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000667549645 462138059 /nfs/dbraw/zinc/13/80/59/462138059.db2.gz SANKHQNJHVTLTJ-OAQYLSRUSA-N 2 2 348.450 3.449 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667708807 462225894 /nfs/dbraw/zinc/22/58/94/462225894.db2.gz LKROGRPOVBEDQJ-APWZRJJASA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667708807 462225900 /nfs/dbraw/zinc/22/59/00/462225900.db2.gz LKROGRPOVBEDQJ-APWZRJJASA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667708807 462225913 /nfs/dbraw/zinc/22/59/13/462225913.db2.gz LKROGRPOVBEDQJ-APWZRJJASA-N 2 2 328.504 3.136 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)C[NH+]1CCOCC1 ZINC000651720275 462315003 /nfs/dbraw/zinc/31/50/03/462315003.db2.gz VRVYCJJSPALRNV-MSOLQXFVSA-N 2 2 339.483 3.368 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000667911535 462318218 /nfs/dbraw/zinc/31/82/18/462318218.db2.gz NCFIRGHYGHTIPW-YSIASYRMSA-N 2 2 325.456 3.398 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056952 462361049 /nfs/dbraw/zinc/36/10/49/462361049.db2.gz MTXXRGDSKZYZQS-RDJZCZTQSA-N 2 2 331.504 3.429 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056952 462361053 /nfs/dbraw/zinc/36/10/53/462361053.db2.gz MTXXRGDSKZYZQS-RDJZCZTQSA-N 2 2 331.504 3.429 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056949 462362142 /nfs/dbraw/zinc/36/21/42/462362142.db2.gz MTXXRGDSKZYZQS-DOTOQJQBSA-N 2 2 331.504 3.429 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056949 462362149 /nfs/dbraw/zinc/36/21/49/462362149.db2.gz MTXXRGDSKZYZQS-DOTOQJQBSA-N 2 2 331.504 3.429 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000665232250 462362438 /nfs/dbraw/zinc/36/24/38/462362438.db2.gz JITIJGKSXZXKDJ-BEVDRBHNSA-N 2 2 325.456 3.277 10 0 EGAELP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277440 462381716 /nfs/dbraw/zinc/38/17/16/462381716.db2.gz BJBKBEOFSHIBSZ-WOFGGDGOSA-N 2 2 341.680 3.431 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277269 462382041 /nfs/dbraw/zinc/38/20/41/462382041.db2.gz XWUWDBWZBWHBRH-NRSPTQNISA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277269 462382045 /nfs/dbraw/zinc/38/20/45/462382045.db2.gz XWUWDBWZBWHBRH-NRSPTQNISA-N 3 2 341.543 3.409 10 0 EGAELP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCC2)O1 ZINC000668035180 462383793 /nfs/dbraw/zinc/38/37/93/462383793.db2.gz DWPSNNKFDFKDIS-UHFFFAOYSA-N 2 2 326.444 3.191 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCC2)O1 ZINC000668035180 462383797 /nfs/dbraw/zinc/38/37/97/462383797.db2.gz DWPSNNKFDFKDIS-UHFFFAOYSA-N 2 2 326.444 3.191 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658294831 462461180 /nfs/dbraw/zinc/46/11/80/462461180.db2.gz PPCBBXNTDZKTFS-IEBWSBKVSA-N 2 2 330.472 3.052 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781266 527752931 /nfs/dbraw/zinc/75/29/31/527752931.db2.gz IPEBGVHWYMTLED-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781266 527752933 /nfs/dbraw/zinc/75/29/33/527752933.db2.gz IPEBGVHWYMTLED-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781266 527752938 /nfs/dbraw/zinc/75/29/38/527752938.db2.gz IPEBGVHWYMTLED-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000174781266 527752941 /nfs/dbraw/zinc/75/29/41/527752941.db2.gz IPEBGVHWYMTLED-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776641 527829825 /nfs/dbraw/zinc/82/98/25/527829825.db2.gz UTNNSVHTOJNDPO-MJGOQNOKSA-N 2 2 331.504 3.090 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776641 527829827 /nfs/dbraw/zinc/82/98/27/527829827.db2.gz UTNNSVHTOJNDPO-MJGOQNOKSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776641 527829831 /nfs/dbraw/zinc/82/98/31/527829831.db2.gz UTNNSVHTOJNDPO-MJGOQNOKSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776641 527829834 /nfs/dbraw/zinc/82/98/34/527829834.db2.gz UTNNSVHTOJNDPO-MJGOQNOKSA-N 2 2 331.504 3.090 10 0 EGAELP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCCC1 ZINC000185973389 535230412 /nfs/dbraw/zinc/23/04/12/535230412.db2.gz OYVDUFNELBCZPG-DFNIBXOVSA-N 2 2 347.547 3.116 10 0 EGAELP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCCC1 ZINC000185973389 535230417 /nfs/dbraw/zinc/23/04/17/535230417.db2.gz OYVDUFNELBCZPG-DFNIBXOVSA-N 2 2 347.547 3.116 10 0 EGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246513126 535949932 /nfs/dbraw/zinc/94/99/32/535949932.db2.gz IKJWDMWFYVWEDP-PXNSSMCTSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246513126 535949935 /nfs/dbraw/zinc/94/99/35/535949935.db2.gz IKJWDMWFYVWEDP-PXNSSMCTSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246513126 535949938 /nfs/dbraw/zinc/94/99/38/535949938.db2.gz IKJWDMWFYVWEDP-PXNSSMCTSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246513126 535949940 /nfs/dbraw/zinc/94/99/40/535949940.db2.gz IKJWDMWFYVWEDP-PXNSSMCTSA-N 2 2 341.499 3.136 10 0 EGAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000181694093 547072555 /nfs/dbraw/zinc/07/25/55/547072555.db2.gz FDYPXPXSTJFFAC-UHFFFAOYSA-N 2 2 344.478 3.173 10 0 EGAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000181694093 547072562 /nfs/dbraw/zinc/07/25/62/547072562.db2.gz FDYPXPXSTJFFAC-UHFFFAOYSA-N 2 2 344.478 3.173 10 0 EGAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000414739476 547860092 /nfs/dbraw/zinc/86/00/92/547860092.db2.gz FWRRNSXBHREMPS-FUHWJXTLSA-N 2 2 332.492 3.036 10 0 EGAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000414739476 547860094 /nfs/dbraw/zinc/86/00/94/547860094.db2.gz FWRRNSXBHREMPS-FUHWJXTLSA-N 2 2 332.492 3.036 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)n1C ZINC000631199772 548141019 /nfs/dbraw/zinc/14/10/19/548141019.db2.gz MSWCQGBZVSZETP-HXUWFJFHSA-N 2 2 349.482 3.345 10 0 EGAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671245631 548268324 /nfs/dbraw/zinc/26/83/24/548268324.db2.gz FFGXQNJGUVZJBC-HXUWFJFHSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671245631 548268326 /nfs/dbraw/zinc/26/83/26/548268326.db2.gz FFGXQNJGUVZJBC-HXUWFJFHSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245631 548268330 /nfs/dbraw/zinc/26/83/30/548268330.db2.gz FFGXQNJGUVZJBC-HXUWFJFHSA-N 2 2 326.484 3.346 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245631 548268332 /nfs/dbraw/zinc/26/83/32/548268332.db2.gz FFGXQNJGUVZJBC-HXUWFJFHSA-N 2 2 326.484 3.346 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000672668944 548459877 /nfs/dbraw/zinc/45/98/77/548459877.db2.gz WZPNTWCBKZBMCI-RDTXWAMCSA-N 2 2 337.427 3.147 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673792893 548626096 /nfs/dbraw/zinc/62/60/96/548626096.db2.gz VVIGJTUWYPZMCS-UHFFFAOYSA-N 2 2 341.459 3.253 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000677502428 549281308 /nfs/dbraw/zinc/28/13/08/549281308.db2.gz JVNMUMCAFOZHJA-QGZVFWFLSA-N 2 2 348.454 3.428 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000677502428 549281312 /nfs/dbraw/zinc/28/13/12/549281312.db2.gz JVNMUMCAFOZHJA-QGZVFWFLSA-N 2 2 348.454 3.428 10 0 EGAELP Cc1ccc2ncc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)n2c1 ZINC000678935752 549599182 /nfs/dbraw/zinc/59/91/82/549599182.db2.gz IJTBCFXSLKQZOG-LJQANCHMSA-N 2 2 345.450 3.450 10 0 EGAELP CCC1(CC)C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CCS1 ZINC000680987819 549937537 /nfs/dbraw/zinc/93/75/37/549937537.db2.gz CCIBQTSCXUVEEQ-GOSISDBHSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CCS1 ZINC000680987819 549937540 /nfs/dbraw/zinc/93/75/40/549937540.db2.gz CCIBQTSCXUVEEQ-GOSISDBHSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CCS1 ZINC000680987819 549937542 /nfs/dbraw/zinc/93/75/42/549937542.db2.gz CCIBQTSCXUVEEQ-GOSISDBHSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCS1 ZINC000680987819 549937544 /nfs/dbraw/zinc/93/75/44/549937544.db2.gz CCIBQTSCXUVEEQ-GOSISDBHSA-N 2 2 336.545 3.087 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)cc1)C(C)C ZINC000681355986 549985476 /nfs/dbraw/zinc/98/54/76/549985476.db2.gz FDELUUCQVZQSEI-UHFFFAOYSA-N 2 2 340.471 3.052 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)cc1)C(C)C ZINC000681355986 549985479 /nfs/dbraw/zinc/98/54/79/549985479.db2.gz FDELUUCQVZQSEI-UHFFFAOYSA-N 2 2 340.471 3.052 10 0 EGAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000738951504 576370175 /nfs/dbraw/zinc/37/01/75/576370175.db2.gz WARLOLSPFAVZHW-UHFFFAOYSA-N 2 2 349.438 3.252 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248495528 1296417594 /nfs/dbraw/zinc/41/75/94/1296417594.db2.gz KWOVQJCKYYYFBT-GHMZBOCLSA-N 2 2 345.256 3.286 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248495528 1296417596 /nfs/dbraw/zinc/41/75/96/1296417596.db2.gz KWOVQJCKYYYFBT-GHMZBOCLSA-N 2 2 345.256 3.286 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCO[C@H](C(C)(C)C)C3)[nH+]c2)C1 ZINC000872058030 1296705452 /nfs/dbraw/zinc/70/54/52/1296705452.db2.gz MIAKNTYBSWLQHG-NXHRZFHOSA-N 2 2 346.519 3.228 10 0 EGAELP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156333 1296775973 /nfs/dbraw/zinc/77/59/73/1296775973.db2.gz IDHIDNWCRQYRLA-YOEHRIQHSA-N 2 2 332.492 3.457 10 0 EGAELP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156333 1296775987 /nfs/dbraw/zinc/77/59/87/1296775987.db2.gz IDHIDNWCRQYRLA-YOEHRIQHSA-N 2 2 332.492 3.457 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000310053283 1297085984 /nfs/dbraw/zinc/08/59/84/1297085984.db2.gz LHYBZDOPRHOXPF-AQFXKWCLSA-N 2 2 339.524 3.237 10 0 EGAELP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1 ZINC000310053283 1297085998 /nfs/dbraw/zinc/08/59/98/1297085998.db2.gz LHYBZDOPRHOXPF-AQFXKWCLSA-N 2 2 339.524 3.237 10 0 EGAELP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000312105126 1297113648 /nfs/dbraw/zinc/11/36/48/1297113648.db2.gz JSJUTFFUUHMIFX-ZDUSSCGKSA-N 2 2 327.266 3.019 10 0 EGAELP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000312105126 1297113652 /nfs/dbraw/zinc/11/36/52/1297113652.db2.gz JSJUTFFUUHMIFX-ZDUSSCGKSA-N 2 2 327.266 3.019 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000585130410 1298036129 /nfs/dbraw/zinc/03/61/29/1298036129.db2.gz PINSEMGOPRYLQK-SFHVURJKSA-N 2 2 340.471 3.270 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000585130410 1298036139 /nfs/dbraw/zinc/03/61/39/1298036139.db2.gz PINSEMGOPRYLQK-SFHVURJKSA-N 2 2 340.471 3.270 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397937 1299971965 /nfs/dbraw/zinc/97/19/65/1299971965.db2.gz TWKABPBGOWBNRB-VQIMIIECSA-N 2 2 341.455 3.251 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397935 1299972514 /nfs/dbraw/zinc/97/25/14/1299972514.db2.gz TWKABPBGOWBNRB-QFBILLFUSA-N 2 2 341.455 3.251 10 0 EGAELP c1cn(CCCC2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)c[nH+]1 ZINC000878402219 1299976468 /nfs/dbraw/zinc/97/64/68/1299976468.db2.gz DPBFHFIJKLOOAZ-LJQANCHMSA-N 2 2 347.503 3.104 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883347632 1302406177 /nfs/dbraw/zinc/40/61/77/1302406177.db2.gz WFLKUURTGMYDAX-QUCCMNQESA-N 2 2 341.499 3.485 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883347632 1302406180 /nfs/dbraw/zinc/40/61/80/1302406180.db2.gz WFLKUURTGMYDAX-QUCCMNQESA-N 2 2 341.499 3.485 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017660 1306176143 /nfs/dbraw/zinc/17/61/43/1306176143.db2.gz RCBYHNJNDFZZRU-HKUYNNGSSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017660 1306176150 /nfs/dbraw/zinc/17/61/50/1306176150.db2.gz RCBYHNJNDFZZRU-HKUYNNGSSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017660 1306176154 /nfs/dbraw/zinc/17/61/54/1306176154.db2.gz RCBYHNJNDFZZRU-HKUYNNGSSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017660 1306176160 /nfs/dbraw/zinc/17/61/60/1306176160.db2.gz RCBYHNJNDFZZRU-HKUYNNGSSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747679 1309049468 /nfs/dbraw/zinc/04/94/68/1309049468.db2.gz LGJRGYPZUYWYPC-OAQYLSRUSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747679 1309049479 /nfs/dbraw/zinc/04/94/79/1309049479.db2.gz LGJRGYPZUYWYPC-OAQYLSRUSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747679 1309049484 /nfs/dbraw/zinc/04/94/84/1309049484.db2.gz LGJRGYPZUYWYPC-OAQYLSRUSA-N 2 2 336.483 3.070 10 0 EGAELP Cc1ccnc(N)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747679 1309049494 /nfs/dbraw/zinc/04/94/94/1309049494.db2.gz LGJRGYPZUYWYPC-OAQYLSRUSA-N 2 2 336.483 3.070 10 0 EGAELP CC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000895669852 1309456934 /nfs/dbraw/zinc/45/69/34/1309456934.db2.gz DGBRTIZFCGJHSL-UHFFFAOYSA-N 2 2 328.435 3.276 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](CCF)C2)cc1 ZINC000898489039 1310756814 /nfs/dbraw/zinc/75/68/14/1310756814.db2.gz AIOIUVBVJHCOFD-IBGZPJMESA-N 2 2 349.494 3.082 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](CCF)C2)cc1 ZINC000898489039 1310756817 /nfs/dbraw/zinc/75/68/17/1310756817.db2.gz AIOIUVBVJHCOFD-IBGZPJMESA-N 2 2 349.494 3.082 10 0 EGAELP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898489039 1310756824 /nfs/dbraw/zinc/75/68/24/1310756824.db2.gz AIOIUVBVJHCOFD-IBGZPJMESA-N 2 2 349.494 3.082 10 0 EGAELP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898489039 1310756829 /nfs/dbraw/zinc/75/68/29/1310756829.db2.gz AIOIUVBVJHCOFD-IBGZPJMESA-N 2 2 349.494 3.082 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cnc1Br ZINC000929842863 1328718015 /nfs/dbraw/zinc/71/80/15/1328718015.db2.gz DSZFOQVHVFFBIE-LSDHHAIUSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000929842863 1328718018 /nfs/dbraw/zinc/71/80/18/1328718018.db2.gz DSZFOQVHVFFBIE-LSDHHAIUSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842863 1328718021 /nfs/dbraw/zinc/71/80/21/1328718021.db2.gz DSZFOQVHVFFBIE-LSDHHAIUSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842863 1328718023 /nfs/dbraw/zinc/71/80/23/1328718023.db2.gz DSZFOQVHVFFBIE-LSDHHAIUSA-N 2 2 338.293 3.069 10 0 EGAELP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1c(F)cncc1F ZINC000930170348 1328803116 /nfs/dbraw/zinc/80/31/16/1328803116.db2.gz ZLNLKECYKQGOQZ-UHFFFAOYSA-N 2 2 346.425 3.493 10 0 EGAELP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1c(F)cncc1F ZINC000930170348 1328803118 /nfs/dbraw/zinc/80/31/18/1328803118.db2.gz ZLNLKECYKQGOQZ-UHFFFAOYSA-N 2 2 346.425 3.493 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000921816316 1322404404 /nfs/dbraw/zinc/40/44/04/1322404404.db2.gz HOVSPIIRFBWSLM-SJLPKXTDSA-N 2 2 338.499 3.052 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000921816316 1322404407 /nfs/dbraw/zinc/40/44/07/1322404407.db2.gz HOVSPIIRFBWSLM-SJLPKXTDSA-N 2 2 338.499 3.052 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629260 1322574657 /nfs/dbraw/zinc/57/46/57/1322574657.db2.gz VDOKEZAVIGYXMR-LPHOPBHVSA-N 2 2 325.456 3.230 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000922956243 1322661000 /nfs/dbraw/zinc/66/10/00/1322661000.db2.gz RCYSKSFOTBUERK-DPZZJQGRSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000922956243 1322661004 /nfs/dbraw/zinc/66/10/04/1322661004.db2.gz RCYSKSFOTBUERK-DPZZJQGRSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000924539367 1323047171 /nfs/dbraw/zinc/04/71/71/1323047171.db2.gz CJPYCIBFVSPVQB-MJGOQNOKSA-N 2 2 332.536 3.294 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924555226 1323054198 /nfs/dbraw/zinc/05/41/98/1323054198.db2.gz YZLXQUPOYXNALP-HKUYNNGSSA-N 2 2 326.488 3.341 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924555226 1323054205 /nfs/dbraw/zinc/05/42/05/1323054205.db2.gz YZLXQUPOYXNALP-HKUYNNGSSA-N 2 2 326.488 3.341 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925002717 1323242065 /nfs/dbraw/zinc/24/20/65/1323242065.db2.gz SVTSOFZJCAJGDS-YLJYHZDGSA-N 2 2 345.531 3.272 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534177 1325195942 /nfs/dbraw/zinc/19/59/42/1325195942.db2.gz JGVLYBBKKWAZJM-YSHGAJCASA-N 3 2 347.572 3.326 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534177 1325195947 /nfs/dbraw/zinc/19/59/47/1325195947.db2.gz JGVLYBBKKWAZJM-YSHGAJCASA-N 3 2 347.572 3.326 10 0 EGAELP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925557471 1325206644 /nfs/dbraw/zinc/20/66/44/1325206644.db2.gz ORQXSGVGMLDNAS-FGTMMUONSA-N 2 2 349.906 3.080 10 0 EGAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925561678 1325210306 /nfs/dbraw/zinc/21/03/06/1325210306.db2.gz RWSDWCISKWJJKK-RCCFBDPRSA-N 2 2 349.906 3.080 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925595217 1325226467 /nfs/dbraw/zinc/22/64/67/1325226467.db2.gz SIXHYXYNTRTBJP-LKUPVBHCSA-N 2 2 343.515 3.402 10 0 EGAELP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2c1 ZINC000925640621 1325243971 /nfs/dbraw/zinc/24/39/71/1325243971.db2.gz UETLBNNNHGEVRN-OAHLLOKOSA-N 2 2 334.261 3.305 10 0 EGAELP Nc1cc[nH+]c(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c1 ZINC000925767168 1325290752 /nfs/dbraw/zinc/29/07/52/1325290752.db2.gz NRTIINYEAQVUBW-MSOLQXFVSA-N 2 2 331.847 3.197 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1(Cl)CC1 ZINC000926956403 1327795724 /nfs/dbraw/zinc/79/57/24/1327795724.db2.gz AGBXXOJLTNTKGH-MRXNPFEDSA-N 2 2 336.907 3.417 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1(Cl)CC1 ZINC000926956403 1327795730 /nfs/dbraw/zinc/79/57/30/1327795730.db2.gz AGBXXOJLTNTKGH-MRXNPFEDSA-N 2 2 336.907 3.417 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865492752 1329704861 /nfs/dbraw/zinc/70/48/61/1329704861.db2.gz VDYWDAFIRBSLKF-IAGOWNOFSA-N 2 2 338.499 3.464 10 0 EGAELP C[NH+](C)C1CC[NH+](CCNc2ccc3cnc(Cl)cc3c2)CC1 ZINC000865586002 1329716723 /nfs/dbraw/zinc/71/67/23/1329716723.db2.gz VGMRSONEUCHAHR-UHFFFAOYSA-N 2 2 332.879 3.326 10 0 EGAELP C[C@H](CCc1cccnc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000866231345 1330081412 /nfs/dbraw/zinc/08/14/12/1330081412.db2.gz XJSZAVSAMJGHMY-QGZVFWFLSA-N 2 2 333.545 3.354 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866237226 1330083026 /nfs/dbraw/zinc/08/30/26/1330083026.db2.gz IEEOCPMOLXPNCP-UYAOXDASSA-N 2 2 344.430 3.188 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)cc1 ZINC000866705413 1330143140 /nfs/dbraw/zinc/14/31/40/1330143140.db2.gz ZIVJCIKACJVMKT-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)cc1 ZINC000866705413 1330143142 /nfs/dbraw/zinc/14/31/42/1330143142.db2.gz ZIVJCIKACJVMKT-LJQANCHMSA-N 2 2 328.460 3.242 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629838 1387707315 /nfs/dbraw/zinc/70/73/15/1387707315.db2.gz TUDRCRUNALVZKX-PKOBYXMFSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629838 1387707317 /nfs/dbraw/zinc/70/73/17/1387707317.db2.gz TUDRCRUNALVZKX-PKOBYXMFSA-N 2 2 332.492 3.017 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001325918556 1388081770 /nfs/dbraw/zinc/08/17/70/1388081770.db2.gz FBTAYKBWPOQPNE-OKZBNKHCSA-N 2 2 332.492 3.090 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001325918556 1388081774 /nfs/dbraw/zinc/08/17/74/1388081774.db2.gz FBTAYKBWPOQPNE-OKZBNKHCSA-N 2 2 332.492 3.090 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)OCC(C)(C)n2cc[nH+]c2)cc1 ZINC001123154771 1372389593 /nfs/dbraw/zinc/38/95/93/1372389593.db2.gz RASJVABEEWPOAC-UHFFFAOYSA-N 2 2 329.444 3.317 10 0 EGAELP CC(C)(C)CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001326845896 1388328919 /nfs/dbraw/zinc/32/89/19/1388328919.db2.gz VXFPJNNFJWJBFB-UHFFFAOYSA-N 2 2 328.460 3.241 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001266783153 1377380838 /nfs/dbraw/zinc/38/08/38/1377380838.db2.gz RUJOTEGNKMULAC-HNNXBMFYSA-N 2 2 339.430 3.104 10 0 EGAELP CC[C@H](C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)[NH+](CC)CC ZINC001141051368 1378222633 /nfs/dbraw/zinc/22/26/33/1378222633.db2.gz ZDGYMJUDSANTFX-QGZVFWFLSA-N 2 2 328.460 3.360 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001277883062 1378248908 /nfs/dbraw/zinc/24/89/08/1378248908.db2.gz AHCVXEJLIQLMQI-QGZVFWFLSA-N 2 2 347.503 3.040 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284060162 1379413571 /nfs/dbraw/zinc/41/35/71/1379413571.db2.gz ZZYXNMPKNZOHSI-PXNSSMCTSA-N 2 2 346.519 3.046 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284060162 1379413574 /nfs/dbraw/zinc/41/35/74/1379413574.db2.gz ZZYXNMPKNZOHSI-PXNSSMCTSA-N 2 2 346.519 3.046 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284600048 1380000831 /nfs/dbraw/zinc/00/08/31/1380000831.db2.gz YIVVOFCWBLBVIW-BFYDXBDKSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284600048 1380000839 /nfs/dbraw/zinc/00/08/39/1380000839.db2.gz YIVVOFCWBLBVIW-BFYDXBDKSA-N 2 2 346.519 3.070 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284631059 1380035492 /nfs/dbraw/zinc/03/54/92/1380035492.db2.gz LFCDEEWQIPMXQV-JFIYKMOQSA-N 2 2 348.535 3.080 10 0 EGAELP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001328006643 1388644051 /nfs/dbraw/zinc/64/40/51/1388644051.db2.gz GWYOZJXYVTUKCH-MRXNPFEDSA-N 2 2 335.467 3.339 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001316666579 1384512247 /nfs/dbraw/zinc/51/22/47/1384512247.db2.gz NGQANXSDLOJGBH-DLBZAZTESA-N 2 2 348.535 3.054 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001316742190 1384555441 /nfs/dbraw/zinc/55/54/41/1384555441.db2.gz LNCYLRLIBRCJJU-QDEMRPEBSA-N 2 2 349.906 3.011 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C/C=C\Cl ZINC001316742190 1384555447 /nfs/dbraw/zinc/55/54/47/1384555447.db2.gz LNCYLRLIBRCJJU-QDEMRPEBSA-N 2 2 349.906 3.011 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001316874757 1384659657 /nfs/dbraw/zinc/65/96/57/1384659657.db2.gz CWAYKRQYBWFHCN-NVXWUHKLSA-N 2 2 334.508 3.138 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C3CC3)ccn12 ZINC001317013226 1384777445 /nfs/dbraw/zinc/77/74/45/1384777445.db2.gz MZURIDBJDPTEFC-QGZVFWFLSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001329050235 1388945625 /nfs/dbraw/zinc/94/56/25/1388945625.db2.gz SQVXHPPWPQSRNN-HZPDHXFCSA-N 2 2 342.487 3.149 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001329050235 1388945627 /nfs/dbraw/zinc/94/56/27/1388945627.db2.gz SQVXHPPWPQSRNN-HZPDHXFCSA-N 2 2 342.487 3.149 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1)n1cc[nH+]c1 ZINC001317045407 1384820074 /nfs/dbraw/zinc/82/00/74/1384820074.db2.gz QZCRVCNPZMDGJD-ZWKOTPCHSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1)n1cc[nH+]c1 ZINC001317045407 1384820078 /nfs/dbraw/zinc/82/00/78/1384820078.db2.gz QZCRVCNPZMDGJD-ZWKOTPCHSA-N 2 2 334.508 3.049 10 0 EGAELP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001317427081 1385132622 /nfs/dbraw/zinc/13/26/22/1385132622.db2.gz JPXNFTBMWYPSPX-CVEARBPZSA-N 2 2 346.450 3.057 10 0 EGAELP CC[C@@H](F)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001317427081 1385132624 /nfs/dbraw/zinc/13/26/24/1385132624.db2.gz JPXNFTBMWYPSPX-CVEARBPZSA-N 2 2 346.450 3.057 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCCC(F)(F)F)c(C)[nH+]1 ZINC001317455815 1385154109 /nfs/dbraw/zinc/15/41/09/1385154109.db2.gz UQGWFJQNUDUXAM-UHFFFAOYSA-N 2 2 345.409 3.401 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCCC(F)(F)F)c(C)[nH+]1 ZINC001317455815 1385154112 /nfs/dbraw/zinc/15/41/12/1385154112.db2.gz UQGWFJQNUDUXAM-UHFFFAOYSA-N 2 2 345.409 3.401 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001318957000 1385897024 /nfs/dbraw/zinc/89/70/24/1385897024.db2.gz UYHDWFHEYWTYTI-IYARVYRRSA-N 2 2 346.519 3.330 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001318957000 1385897027 /nfs/dbraw/zinc/89/70/27/1385897027.db2.gz UYHDWFHEYWTYTI-IYARVYRRSA-N 2 2 346.519 3.330 10 0 EGAELP O=C(NC1(C[NH2+]CCC2CCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001698630048 1406273010 /nfs/dbraw/zinc/27/30/10/1406273010.db2.gz KYZQOFXACFOWBN-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C(NC1(C[NH2+]CCC2CCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001698630048 1406273013 /nfs/dbraw/zinc/27/30/13/1406273013.db2.gz KYZQOFXACFOWBN-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001319475590 1386137854 /nfs/dbraw/zinc/13/78/54/1386137854.db2.gz JIAOXMZAULLQQS-PKOBYXMFSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001319541878 1386170998 /nfs/dbraw/zinc/17/09/98/1386170998.db2.gz XPTLCFBBBXEBAI-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319620449 1386213737 /nfs/dbraw/zinc/21/37/37/1386213737.db2.gz OBTVLFCKVGGXLW-SJORKVTESA-N 2 2 348.535 3.002 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001319864245 1386342907 /nfs/dbraw/zinc/34/29/07/1386342907.db2.gz NDOGRFFOGSCQDN-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC001320009788 1386451246 /nfs/dbraw/zinc/45/12/46/1386451246.db2.gz MFBUVWCRHJVGIH-IBGZPJMESA-N 2 2 342.487 3.061 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC001320009788 1386451248 /nfs/dbraw/zinc/45/12/48/1386451248.db2.gz MFBUVWCRHJVGIH-IBGZPJMESA-N 2 2 342.487 3.061 10 0 EGAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)sn1 ZINC001320501639 1386629300 /nfs/dbraw/zinc/62/93/00/1386629300.db2.gz SMUPKZVZWNGXST-GFCCVEGCSA-N 2 2 346.500 3.070 10 0 EGAELP CCN(CC[NH2+]CCc1cccs1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001320801977 1386723360 /nfs/dbraw/zinc/72/33/60/1386723360.db2.gz JXXJFXKOKWISGL-UHFFFAOYSA-N 2 2 345.512 3.363 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210912 1387104050 /nfs/dbraw/zinc/10/40/50/1387104050.db2.gz QHSKSTUNMVTHIP-RTRPANQVSA-N 2 2 340.471 3.279 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210912 1387104052 /nfs/dbraw/zinc/10/40/52/1387104052.db2.gz QHSKSTUNMVTHIP-RTRPANQVSA-N 2 2 340.471 3.279 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329474435 1389121820 /nfs/dbraw/zinc/12/18/20/1389121820.db2.gz JYIXOPXGCNFCQT-IDTUSYRASA-N 2 2 328.460 3.359 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329474435 1389121824 /nfs/dbraw/zinc/12/18/24/1389121824.db2.gz JYIXOPXGCNFCQT-IDTUSYRASA-N 2 2 328.460 3.359 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001331885607 1389897783 /nfs/dbraw/zinc/89/77/83/1389897783.db2.gz FMNLLVXLIJOQAL-BGYNLAARSA-N 2 2 340.471 3.192 10 0 EGAELP C[NH+](C)CC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cccnc1 ZINC001339194411 1389937078 /nfs/dbraw/zinc/93/70/78/1389937078.db2.gz MTXRDZDBGZGOBA-RBUKOAKNSA-N 2 2 329.875 3.485 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cccnc1 ZINC001339194404 1389937386 /nfs/dbraw/zinc/93/73/86/1389937386.db2.gz MTXRDZDBGZGOBA-MOPGFXCFSA-N 2 2 329.875 3.485 10 0 EGAELP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332823455 1390194731 /nfs/dbraw/zinc/19/47/31/1390194731.db2.gz GZTJNXZXRCRJMI-AEFFLSMTSA-N 2 2 348.535 3.146 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332826883 1390195584 /nfs/dbraw/zinc/19/55/84/1390195584.db2.gz ROEJKONZSNFGEK-RDJZCZTQSA-N 2 2 348.535 3.002 10 0 EGAELP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001340061457 1390218232 /nfs/dbraw/zinc/21/82/32/1390218232.db2.gz BRDWMQGPFMYSCJ-RDTXWAMCSA-N 2 2 334.891 3.466 10 0 EGAELP CC[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC001698802497 1406480298 /nfs/dbraw/zinc/48/02/98/1406480298.db2.gz FJFYKWJUMGPMSO-SFHVURJKSA-N 2 2 340.471 3.053 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001698830346 1406523637 /nfs/dbraw/zinc/52/36/37/1406523637.db2.gz FFTPHFGIGQHRKW-MJGOQNOKSA-N 2 2 342.487 3.107 10 0 EGAELP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001698839366 1406535989 /nfs/dbraw/zinc/53/59/89/1406535989.db2.gz PQNDRKSDBSKQDZ-OAHLLOKOSA-N 2 2 330.476 3.211 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698854226 1406559016 /nfs/dbraw/zinc/55/90/16/1406559016.db2.gz HHNZQUJWEVVIPV-CVEARBPZSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)c(C)[nH+]1 ZINC001480033013 1392543301 /nfs/dbraw/zinc/54/33/01/1392543301.db2.gz BAVLVFKCZBEWOF-GOSISDBHSA-N 2 2 329.488 3.295 10 0 EGAELP C[C@@H](CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001480407910 1392745128 /nfs/dbraw/zinc/74/51/28/1392745128.db2.gz FEHTYJKOTNFYRA-IVMQYODDSA-N 2 2 346.519 3.432 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCC4CCC4)C3)ccn12 ZINC001480614063 1392819576 /nfs/dbraw/zinc/81/95/76/1392819576.db2.gz JUEZOPJXGUGZFD-SFHVURJKSA-N 2 2 340.471 3.027 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113315 1393123136 /nfs/dbraw/zinc/12/31/36/1393123136.db2.gz RVKKEVOQJJUPRL-PKOBYXMFSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113315 1393123137 /nfs/dbraw/zinc/12/31/37/1393123137.db2.gz RVKKEVOQJJUPRL-PKOBYXMFSA-N 2 2 344.503 3.163 10 0 EGAELP CC(C)(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490793961 1394347395 /nfs/dbraw/zinc/34/73/95/1394347395.db2.gz RYSDCFMDFQLRSI-YYIAUSFCSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490793961 1394347397 /nfs/dbraw/zinc/34/73/97/1394347397.db2.gz RYSDCFMDFQLRSI-YYIAUSFCSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001491039733 1394405996 /nfs/dbraw/zinc/40/59/96/1394405996.db2.gz QBESJBFRHHGYIH-CALCHBBNSA-N 2 2 340.471 3.159 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745875 1394490704 /nfs/dbraw/zinc/49/07/04/1394490704.db2.gz VOEIMXLQBRPTFA-IEBWSBKVSA-N 2 2 344.503 3.257 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745875 1394490708 /nfs/dbraw/zinc/49/07/08/1394490708.db2.gz VOEIMXLQBRPTFA-IEBWSBKVSA-N 2 2 344.503 3.257 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745866 1394490948 /nfs/dbraw/zinc/49/09/48/1394490948.db2.gz VOEIMXLQBRPTFA-HKUYNNGSSA-N 2 2 344.503 3.257 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745866 1394490950 /nfs/dbraw/zinc/49/09/50/1394490950.db2.gz VOEIMXLQBRPTFA-HKUYNNGSSA-N 2 2 344.503 3.257 10 0 EGAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H]1CCc2ccccc21 ZINC001481831863 1394549994 /nfs/dbraw/zinc/54/99/94/1394549994.db2.gz DJRQDSHZFFIFQQ-AEFFLSMTSA-N 2 2 348.450 3.120 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001481976629 1394638092 /nfs/dbraw/zinc/63/80/92/1394638092.db2.gz KEGWHDQRFWKQLG-SFHVURJKSA-N 2 2 346.519 3.141 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001481976629 1394638096 /nfs/dbraw/zinc/63/80/96/1394638096.db2.gz KEGWHDQRFWKQLG-SFHVURJKSA-N 2 2 346.519 3.141 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001482018002 1394674491 /nfs/dbraw/zinc/67/44/91/1394674491.db2.gz JEAGNNUNQHXJJP-IYARVYRRSA-N 2 2 347.503 3.086 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001483908233 1395139398 /nfs/dbraw/zinc/13/93/98/1395139398.db2.gz FUWMZRKSTHFHFH-IAGOWNOFSA-N 2 2 342.487 3.497 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001483911030 1395140670 /nfs/dbraw/zinc/14/06/70/1395140670.db2.gz SFFLWANUOIUBOD-IRXDYDNUSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001483947250 1395156506 /nfs/dbraw/zinc/15/65/06/1395156506.db2.gz WZSOAMROGHEVII-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@]1(C[NH2+]CCCC2CCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484095858 1395248084 /nfs/dbraw/zinc/24/80/84/1395248084.db2.gz GUHZWHHHKIFURW-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@]1(C[NH2+]CCCC2CCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484095858 1395248088 /nfs/dbraw/zinc/24/80/88/1395248088.db2.gz GUHZWHHHKIFURW-HXUWFJFHSA-N 2 2 346.519 3.141 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471806 1395406680 /nfs/dbraw/zinc/40/66/80/1395406680.db2.gz CFFJPAAOALMROY-NRWWLLTHSA-N 2 2 344.503 3.113 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471806 1395406681 /nfs/dbraw/zinc/40/66/81/1395406681.db2.gz CFFJPAAOALMROY-NRWWLLTHSA-N 2 2 344.503 3.113 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570118 1396036193 /nfs/dbraw/zinc/03/61/93/1396036193.db2.gz RNBLUWXPWAVVKV-XFHJGTJQSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570118 1396036199 /nfs/dbraw/zinc/03/61/99/1396036199.db2.gz RNBLUWXPWAVVKV-XFHJGTJQSA-N 2 2 340.471 3.359 10 0 EGAELP C[N@H+](CCCCCF)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485759834 1396134667 /nfs/dbraw/zinc/13/46/67/1396134667.db2.gz IQRDFDNKJGVGBV-UHFFFAOYSA-N 2 2 346.450 3.011 10 0 EGAELP C[N@@H+](CCCCCF)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485759834 1396134668 /nfs/dbraw/zinc/13/46/68/1396134668.db2.gz IQRDFDNKJGVGBV-UHFFFAOYSA-N 2 2 346.450 3.011 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001486236144 1396186134 /nfs/dbraw/zinc/18/61/34/1396186134.db2.gz MTQYBTQSQRRQGO-GOSISDBHSA-N 2 2 342.487 3.439 10 0 EGAELP C[C@H](CC(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001500531195 1396187303 /nfs/dbraw/zinc/18/73/03/1396187303.db2.gz YELBPSLIWPIKHF-XLIONFOSSA-N 2 2 348.535 3.489 10 0 EGAELP C[C@H](CC(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001500531195 1396187304 /nfs/dbraw/zinc/18/73/04/1396187304.db2.gz YELBPSLIWPIKHF-XLIONFOSSA-N 2 2 348.535 3.489 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001495168560 1396521674 /nfs/dbraw/zinc/52/16/74/1396521674.db2.gz NCHNJTNQKLCTPP-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3ccsc3)ccn12 ZINC001497188418 1396735790 /nfs/dbraw/zinc/73/57/90/1396735790.db2.gz JDZWFIKLVGTAMU-ZDUSSCGKSA-N 2 2 342.468 3.002 10 0 EGAELP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498466337 1397016234 /nfs/dbraw/zinc/01/62/34/1397016234.db2.gz SNDLYAYFQGREEJ-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498466337 1397016244 /nfs/dbraw/zinc/01/62/44/1397016244.db2.gz SNDLYAYFQGREEJ-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCC2CC2)C1 ZINC001689365424 1403705017 /nfs/dbraw/zinc/70/50/17/1403705017.db2.gz GCGDOEYHARHHGN-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCC2CC2)C1 ZINC001689365424 1403705021 /nfs/dbraw/zinc/70/50/21/1403705021.db2.gz GCGDOEYHARHHGN-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001690232971 1404428395 /nfs/dbraw/zinc/42/83/95/1404428395.db2.gz FPUGLUVMGPVCDT-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001690370275 1404500416 /nfs/dbraw/zinc/50/04/16/1404500416.db2.gz QFQCYTAHVZXRCP-HCXYKTFWSA-N 2 2 346.519 3.117 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690777199 1404725367 /nfs/dbraw/zinc/72/53/67/1404725367.db2.gz JKUDWQKFUADLIX-OALUTQOASA-N 2 2 346.519 3.261 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001691695973 1405428971 /nfs/dbraw/zinc/42/89/71/1405428971.db2.gz KQZONVPBHRLDLA-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968492 1405684375 /nfs/dbraw/zinc/68/43/75/1405684375.db2.gz JNACGIJSVNTTGI-LSDHHAIUSA-N 2 2 328.460 3.003 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968492 1405684380 /nfs/dbraw/zinc/68/43/80/1405684380.db2.gz JNACGIJSVNTTGI-LSDHHAIUSA-N 2 2 328.460 3.003 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968759 1405685234 /nfs/dbraw/zinc/68/52/34/1405685234.db2.gz OVGMDIWQQLYMSU-INIZCTEOSA-N 2 2 342.487 3.164 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968759 1405685247 /nfs/dbraw/zinc/68/52/47/1405685247.db2.gz OVGMDIWQQLYMSU-INIZCTEOSA-N 2 2 342.487 3.164 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001692114805 1405778685 /nfs/dbraw/zinc/77/86/85/1405778685.db2.gz VRWLTRSTFWUSDN-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001692114805 1405778689 /nfs/dbraw/zinc/77/86/89/1405778689.db2.gz VRWLTRSTFWUSDN-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001692119803 1405781621 /nfs/dbraw/zinc/78/16/21/1405781621.db2.gz LCBGOPLUIACHGG-KZNAEPCWSA-N 2 2 334.508 3.240 10 0 EGAELP O=C(NCC[N@H+](CC1=CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001731877912 1428145105 /nfs/dbraw/zinc/14/51/05/1428145105.db2.gz OSMGIDSVPGWLDG-UHFFFAOYSA-N 2 2 338.455 3.258 10 0 EGAELP O=C(NCC[N@@H+](CC1=CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001731877912 1428145106 /nfs/dbraw/zinc/14/51/06/1428145106.db2.gz OSMGIDSVPGWLDG-UHFFFAOYSA-N 2 2 338.455 3.258 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001732039296 1428265417 /nfs/dbraw/zinc/26/54/17/1428265417.db2.gz NSOLDLVBMOXFQO-GDBMZVCRSA-N 2 2 346.450 3.238 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001732039296 1428265418 /nfs/dbraw/zinc/26/54/18/1428265418.db2.gz NSOLDLVBMOXFQO-GDBMZVCRSA-N 2 2 346.450 3.238 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732529404 1428649578 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C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714149860 1418955957 /nfs/dbraw/zinc/95/59/57/1418955957.db2.gz GRESOJTWEWOOJZ-WMZOPIPTSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001714149860 1418955960 /nfs/dbraw/zinc/95/59/60/1418955960.db2.gz GRESOJTWEWOOJZ-WMZOPIPTSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714149860 1418955962 /nfs/dbraw/zinc/95/59/62/1418955962.db2.gz GRESOJTWEWOOJZ-WMZOPIPTSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001714149860 1418955965 /nfs/dbraw/zinc/95/59/65/1418955965.db2.gz GRESOJTWEWOOJZ-WMZOPIPTSA-N 2 2 344.503 3.059 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC2CCC([NH2+]CCCC(C)C)CC2)c[nH+]1 ZINC001714190856 1418997543 /nfs/dbraw/zinc/99/75/43/1418997543.db2.gz NNXFPQSRZWRLIP-UHFFFAOYSA-N 2 2 348.535 3.380 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001733200505 1429304741 /nfs/dbraw/zinc/30/47/41/1429304741.db2.gz QDWOJUONBAIYFY-IRXDYDNUSA-N 2 2 334.508 3.058 10 0 EGAELP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001733203125 1429308384 /nfs/dbraw/zinc/30/83/84/1429308384.db2.gz YXIKEXPCCOPVKH-ZWKOTPCHSA-N 2 2 348.535 3.316 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714341418 1419115547 /nfs/dbraw/zinc/11/55/47/1419115547.db2.gz UYICRWMZLCGONN-MRXNPFEDSA-N 2 2 328.460 3.109 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714518174 1419245057 /nfs/dbraw/zinc/24/50/57/1419245057.db2.gz ASKXMJXIPRYZBB-QGZVFWFLSA-N 2 2 340.471 3.275 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714518174 1419245059 /nfs/dbraw/zinc/24/50/59/1419245059.db2.gz ASKXMJXIPRYZBB-QGZVFWFLSA-N 2 2 340.471 3.275 10 0 EGAELP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001714524475 1419251100 /nfs/dbraw/zinc/25/11/00/1419251100.db2.gz QDKPFYCPUIROQJ-XDXAGZTOSA-N 2 2 344.503 3.115 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714810127 1419520954 /nfs/dbraw/zinc/52/09/54/1419520954.db2.gz DBQBMOJBLPRXMO-WBVHZDCISA-N 2 2 348.535 3.189 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001714856080 1419572549 /nfs/dbraw/zinc/57/25/49/1419572549.db2.gz NYOAXMCSWKTERA-HOTGVXAUSA-N 2 2 346.450 3.238 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](C[C@@H](F)CC)C1 ZINC001714856080 1419572552 /nfs/dbraw/zinc/57/25/52/1419572552.db2.gz NYOAXMCSWKTERA-HOTGVXAUSA-N 2 2 346.450 3.238 10 0 EGAELP CC(C)CCC[NH2+]C[C@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001715113455 1419857254 /nfs/dbraw/zinc/85/72/54/1419857254.db2.gz BOIFSUURMBEHKZ-FQEVSTJZSA-N 2 2 342.487 3.259 10 0 EGAELP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715147698 1419892735 /nfs/dbraw/zinc/89/27/35/1419892735.db2.gz NQDNQIHWICMHBD-KRWDZBQOSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)=CC[NH2+]CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001715177535 1419912843 /nfs/dbraw/zinc/91/28/43/1419912843.db2.gz RKNKBXBNPPULLR-QGZVFWFLSA-N 2 2 332.492 3.019 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H](C)CC(C)C)c[nH+]1 ZINC001715211004 1419943604 /nfs/dbraw/zinc/94/36/04/1419943604.db2.gz LESCATGKBJXRNA-FUHWJXTLSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]C/C=C/c1ccccc1 ZINC001715241385 1419970496 /nfs/dbraw/zinc/97/04/96/1419970496.db2.gz ZLKDHHSPJGZMPL-WHWKNOJMSA-N 2 2 348.450 3.232 10 0 EGAELP CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001715300511 1420007758 /nfs/dbraw/zinc/00/77/58/1420007758.db2.gz QRLPENMLOQTHHX-INIZCTEOSA-N 2 2 346.450 3.023 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715304006 1420012738 /nfs/dbraw/zinc/01/27/38/1420012738.db2.gz AUXWPJMPMYJRLJ-JKSUJKDBSA-N 2 2 342.487 3.439 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001715306929 1420015866 /nfs/dbraw/zinc/01/58/66/1420015866.db2.gz AZYDSKYESRDFNH-UHFFFAOYSA-N 2 2 334.508 3.106 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715319013 1420027335 /nfs/dbraw/zinc/02/73/35/1420027335.db2.gz FGCSYHNQLMHNDG-NVXWUHKLSA-N 2 2 348.535 3.340 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001715423142 1420114874 /nfs/dbraw/zinc/11/48/74/1420114874.db2.gz XPMZJTAQDZTVCO-MAUKXSAKSA-N 2 2 331.504 3.493 10 0 EGAELP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001715427985 1420117807 /nfs/dbraw/zinc/11/78/07/1420117807.db2.gz YRJFZDXOORASFJ-HZPDHXFCSA-N 2 2 348.535 3.340 10 0 EGAELP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001715439540 1420124484 /nfs/dbraw/zinc/12/44/84/1420124484.db2.gz XJKPWMMNLHVPEO-QZTJIDSGSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001715461514 1420141342 /nfs/dbraw/zinc/14/13/42/1420141342.db2.gz SXCSHDFAGLNLFC-ROUUACIJSA-N 2 2 348.535 3.334 10 0 EGAELP CC(C)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCC(C)(C)C ZINC001715596610 1420264195 /nfs/dbraw/zinc/26/41/95/1420264195.db2.gz MZNWLNOECBZSTE-IRXDYDNUSA-N 2 2 348.535 3.002 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3ccc(C)cc3)ccn12 ZINC001715816901 1420354937 /nfs/dbraw/zinc/35/49/37/1420354937.db2.gz KVMVQRNTBBNUCQ-ARJAWSKDSA-N 2 2 348.450 3.027 10 0 EGAELP O=C(NCC=CC[NH2+][C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001715832164 1420360054 /nfs/dbraw/zinc/36/00/54/1420360054.db2.gz CPMHNVGGEHJZQY-LLHWWHOWSA-N 2 2 346.434 3.126 10 0 EGAELP C[C@@H](C[N@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497422 1420722644 /nfs/dbraw/zinc/72/26/44/1420722644.db2.gz LPVBWEKVDQEBDD-GJZGRUSLSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@@H](C[N@@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497422 1420722648 /nfs/dbraw/zinc/72/26/48/1420722648.db2.gz LPVBWEKVDQEBDD-GJZGRUSLSA-N 2 2 348.878 3.124 10 0 EGAELP CC(C)CCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001716715424 1420871389 /nfs/dbraw/zinc/87/13/89/1420871389.db2.gz VHLRHCFFFGXMHV-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001716715424 1420871391 /nfs/dbraw/zinc/87/13/91/1420871391.db2.gz VHLRHCFFFGXMHV-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716785684 1420921396 /nfs/dbraw/zinc/92/13/96/1420921396.db2.gz NSKGFFIFUCILDX-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716785684 1420921397 /nfs/dbraw/zinc/92/13/97/1420921397.db2.gz NSKGFFIFUCILDX-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716874329 1421001017 /nfs/dbraw/zinc/00/10/17/1421001017.db2.gz AURJHQDVSOXNMF-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](CCC2CCCCC2)CC1 ZINC001716889700 1421013571 /nfs/dbraw/zinc/01/35/71/1421013571.db2.gz UKFBNPCNERYCBI-UHFFFAOYSA-N 2 2 346.519 3.072 10 0 EGAELP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001716999372 1421068788 /nfs/dbraw/zinc/06/87/88/1421068788.db2.gz BUEVTXVTWWDUDA-AKHDSKFASA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001716999372 1421068791 /nfs/dbraw/zinc/06/87/91/1421068791.db2.gz BUEVTXVTWWDUDA-AKHDSKFASA-N 2 2 346.519 3.240 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717001493 1421071583 /nfs/dbraw/zinc/07/15/83/1421071583.db2.gz CQRLUNYDASIHMT-DUQPFJRNSA-N 2 2 346.519 3.072 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717001493 1421071587 /nfs/dbraw/zinc/07/15/87/1421071587.db2.gz CQRLUNYDASIHMT-DUQPFJRNSA-N 2 2 346.519 3.072 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001717417557 1421348182 /nfs/dbraw/zinc/34/81/82/1421348182.db2.gz YMLIFIWFJWKFDE-UONOGXRCSA-N 2 2 330.476 3.486 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCCC1 ZINC001717527236 1421462901 /nfs/dbraw/zinc/46/29/01/1421462901.db2.gz YYCOENVTGFHDCP-UHFFFAOYSA-N 2 2 346.519 3.250 10 0 EGAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001717749924 1421612633 /nfs/dbraw/zinc/61/26/33/1421612633.db2.gz LFLBBIXNTLAJFS-OAHLLOKOSA-N 2 2 346.519 3.094 10 0 EGAELP CC(C)CCC[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001718022669 1421777139 /nfs/dbraw/zinc/77/71/39/1421777139.db2.gz COEVYQPNVNTGHF-UHFFFAOYSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)CCC[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001718022669 1421777141 /nfs/dbraw/zinc/77/71/41/1421777141.db2.gz COEVYQPNVNTGHF-UHFFFAOYSA-N 2 2 340.471 3.132 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@](C)(C[NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001733432596 1429639578 /nfs/dbraw/zinc/63/95/78/1429639578.db2.gz RLOJFMRJJHWFMA-FQEVSTJZSA-N 2 2 348.535 3.191 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733432541 1429640008 /nfs/dbraw/zinc/64/00/08/1429640008.db2.gz QJMMLBPEYKZVKW-LJQANCHMSA-N 2 2 328.460 3.051 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001733463614 1429693009 /nfs/dbraw/zinc/69/30/09/1429693009.db2.gz BVFJHTCLYBWKDR-YLJYHZDGSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001733463614 1429693011 /nfs/dbraw/zinc/69/30/11/1429693011.db2.gz BVFJHTCLYBWKDR-YLJYHZDGSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001733463614 1429693015 /nfs/dbraw/zinc/69/30/15/1429693015.db2.gz BVFJHTCLYBWKDR-YLJYHZDGSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001733463614 1429693017 /nfs/dbraw/zinc/69/30/17/1429693017.db2.gz BVFJHTCLYBWKDR-YLJYHZDGSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001722946506 1424273191 /nfs/dbraw/zinc/27/31/91/1424273191.db2.gz WGMUMLMVDZBRAM-MSOLQXFVSA-N 2 2 348.535 3.364 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733525098 1429732938 /nfs/dbraw/zinc/73/29/38/1429732938.db2.gz CKZUHEPMFBHGNA-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733525098 1429732943 /nfs/dbraw/zinc/73/29/43/1429732943.db2.gz CKZUHEPMFBHGNA-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529453 1429736072 /nfs/dbraw/zinc/73/60/72/1429736072.db2.gz USWCWIPJHZKMHE-SGFLJFKBSA-N 2 2 340.471 3.359 10 0 EGAELP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001724089919 1424656774 /nfs/dbraw/zinc/65/67/74/1424656774.db2.gz SQUHDTDSZDGJGQ-RJIDQJRZSA-N 2 2 346.862 3.194 10 0 EGAELP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001724657080 1425023707 /nfs/dbraw/zinc/02/37/07/1425023707.db2.gz CJIXCXCHGXGRPS-CEXWTWQISA-N 2 2 346.519 3.337 10 0 EGAELP CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001724657080 1425023712 /nfs/dbraw/zinc/02/37/12/1425023712.db2.gz CJIXCXCHGXGRPS-CEXWTWQISA-N 2 2 346.519 3.337 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001724758045 1425128459 /nfs/dbraw/zinc/12/84/59/1425128459.db2.gz DQPOLLIOSSCDIC-PYTPGESOSA-N 2 2 344.503 3.115 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCC1 ZINC001724787437 1425153996 /nfs/dbraw/zinc/15/39/96/1425153996.db2.gz DRYIWNMCOLLXLD-KRWDZBQOSA-N 2 2 332.492 3.065 10 0 EGAELP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCCCF ZINC001724991450 1425395178 /nfs/dbraw/zinc/39/51/78/1425395178.db2.gz HESFAKKRFPOQNI-GOEBONIOSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCCCF ZINC001724991450 1425395184 /nfs/dbraw/zinc/39/51/84/1425395184.db2.gz HESFAKKRFPOQNI-GOEBONIOSA-N 2 2 346.450 3.285 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001725052293 1425485337 /nfs/dbraw/zinc/48/53/37/1425485337.db2.gz HAKKXQBQEGUYRK-SFHVURJKSA-N 2 2 344.503 3.074 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001725052293 1425485341 /nfs/dbraw/zinc/48/53/41/1425485341.db2.gz HAKKXQBQEGUYRK-SFHVURJKSA-N 2 2 344.503 3.074 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725091773 1425534451 /nfs/dbraw/zinc/53/44/51/1425534451.db2.gz NDAKFLJDCPHPSG-LSDHHAIUSA-N 2 2 330.476 3.175 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725098803 1425544027 /nfs/dbraw/zinc/54/40/27/1425544027.db2.gz QZIQHWNGUUMSQM-HPRJGHKQSA-N 2 2 348.450 3.373 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001725104943 1425553259 /nfs/dbraw/zinc/55/32/59/1425553259.db2.gz QQAOYLYHASJMOX-CVEARBPZSA-N 2 2 342.487 3.405 10 0 EGAELP CC(C)=CC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292444 1425938640 /nfs/dbraw/zinc/93/86/40/1425938640.db2.gz WFOOBCWKKBSBQZ-ROUUACIJSA-N 2 2 346.519 3.263 10 0 EGAELP CC(C)=CC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725292444 1425938642 /nfs/dbraw/zinc/93/86/42/1425938642.db2.gz WFOOBCWKKBSBQZ-ROUUACIJSA-N 2 2 346.519 3.263 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)c[nH+]1 ZINC001731479464 1427455895 /nfs/dbraw/zinc/45/58/95/1427455895.db2.gz PYKTYGBLAOQPDI-HDICACEKSA-N 2 2 346.519 3.134 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001731523409 1427511045 /nfs/dbraw/zinc/51/10/45/1427511045.db2.gz ZFAWQYRDGAMTGH-KRWDZBQOSA-N 2 2 340.471 3.114 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731532501 1427523943 /nfs/dbraw/zinc/52/39/43/1427523943.db2.gz XCRKMWIOAKOAQN-TUYSUELWSA-N 2 2 346.519 3.262 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC2(CC2)CC1 ZINC001731605486 1427650060 /nfs/dbraw/zinc/65/00/60/1427650060.db2.gz DGPSUYLZBFZKHW-HNNXBMFYSA-N 2 2 340.471 3.013 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720209 1427788081 /nfs/dbraw/zinc/78/80/81/1427788081.db2.gz MLBBKPMTCIJVTK-ZPUOCTKUSA-N 2 2 346.519 3.357 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720209 1427788083 /nfs/dbraw/zinc/78/80/83/1427788083.db2.gz MLBBKPMTCIJVTK-ZPUOCTKUSA-N 2 2 346.519 3.357 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733687863 1429903442 /nfs/dbraw/zinc/90/34/42/1429903442.db2.gz VVNNHJKYMOZGEI-BPUTZDHNSA-N 2 2 346.450 3.189 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760760 1429975497 /nfs/dbraw/zinc/97/54/97/1429975497.db2.gz MNXPXCHZXYRKBS-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733760760 1429975500 /nfs/dbraw/zinc/97/55/00/1429975500.db2.gz MNXPXCHZXYRKBS-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001733974544 1437774599 /nfs/dbraw/zinc/77/45/99/1437774599.db2.gz VQQPVIOGDYCGQY-HOTGVXAUSA-N 2 2 342.487 3.319 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001734041803 1437830163 /nfs/dbraw/zinc/83/01/63/1437830163.db2.gz AGXMCUCNIVAJBV-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001734041803 1437830164 /nfs/dbraw/zinc/83/01/64/1437830164.db2.gz AGXMCUCNIVAJBV-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001734342869 1438062885 /nfs/dbraw/zinc/06/28/85/1438062885.db2.gz PAQCVCKJFHQESE-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001734565648 1438161436 /nfs/dbraw/zinc/16/14/36/1438161436.db2.gz ZJWYIUNTHZSXCD-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001750936195 1440115055 /nfs/dbraw/zinc/11/50/55/1440115055.db2.gz WQMAFHOKYQBGHX-UCHJRYNZSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001750936195 1440115057 /nfs/dbraw/zinc/11/50/57/1440115057.db2.gz WQMAFHOKYQBGHX-UCHJRYNZSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001750936195 1440115058 /nfs/dbraw/zinc/11/50/58/1440115058.db2.gz WQMAFHOKYQBGHX-UCHJRYNZSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001750936195 1440115059 /nfs/dbraw/zinc/11/50/59/1440115059.db2.gz WQMAFHOKYQBGHX-UCHJRYNZSA-N 2 2 346.519 3.258 10 0 EGAELP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368231789 168328120 /nfs/dbraw/zinc/32/81/20/168328120.db2.gz YOQZRSHMKQCDIT-MRXNPFEDSA-N 2 2 333.439 3.220 10 0 EGAELP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368231789 168328123 /nfs/dbraw/zinc/32/81/23/168328123.db2.gz YOQZRSHMKQCDIT-MRXNPFEDSA-N 2 2 333.439 3.220 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000368232078 168329299 /nfs/dbraw/zinc/32/92/99/168329299.db2.gz ZKOZADHSZONPMT-ZDUSSCGKSA-N 2 2 341.846 3.111 10 0 EGAELP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1Cl ZINC000368232078 168329302 /nfs/dbraw/zinc/32/93/02/168329302.db2.gz ZKOZADHSZONPMT-ZDUSSCGKSA-N 2 2 341.846 3.111 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000152916977 529760584 /nfs/dbraw/zinc/76/05/84/529760584.db2.gz NGAJOWBMAIFIMO-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000152916977 529760585 /nfs/dbraw/zinc/76/05/85/529760585.db2.gz NGAJOWBMAIFIMO-MRXNPFEDSA-N 2 2 329.444 3.170 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187125864 236125285 /nfs/dbraw/zinc/12/52/85/236125285.db2.gz LKLQAEIURMKZSY-PBHICJAKSA-N 2 2 337.826 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187125864 236125286 /nfs/dbraw/zinc/12/52/86/236125286.db2.gz LKLQAEIURMKZSY-PBHICJAKSA-N 2 2 337.826 3.182 10 0 EGAELP COc1ccc(O)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000241775946 243000808 /nfs/dbraw/zinc/00/08/08/243000808.db2.gz RQODVHJNJWDAQO-CYBMUJFWSA-N 2 2 338.411 3.141 10 0 EGAELP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212796 220110293 /nfs/dbraw/zinc/11/02/93/220110293.db2.gz XIAVYNWPKVCIEW-SFHVURJKSA-N 2 2 327.476 3.191 10 0 EGAELP Cc1cnn(CCCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212796 220110295 /nfs/dbraw/zinc/11/02/95/220110295.db2.gz XIAVYNWPKVCIEW-SFHVURJKSA-N 2 2 327.476 3.191 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@@H+]1Cc1ccccc1 ZINC000095419489 218359983 /nfs/dbraw/zinc/35/99/83/218359983.db2.gz IJOAVGIIMHUCIW-VQIMIIECSA-N 2 2 338.451 3.210 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@H+]1Cc1ccccc1 ZINC000095419489 218359985 /nfs/dbraw/zinc/35/99/85/218359985.db2.gz IJOAVGIIMHUCIW-VQIMIIECSA-N 2 2 338.451 3.210 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808459 252261383 /nfs/dbraw/zinc/26/13/83/252261383.db2.gz NEYFTYFTLYRYLL-QAPCUYQASA-N 2 2 340.496 3.396 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808459 252261386 /nfs/dbraw/zinc/26/13/86/252261386.db2.gz NEYFTYFTLYRYLL-QAPCUYQASA-N 2 2 340.496 3.396 10 0 EGAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299749795 258007661 /nfs/dbraw/zinc/00/76/61/258007661.db2.gz LORUXXZBCFOUKA-AWEZNQCLSA-N 2 2 326.444 3.076 10 0 EGAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299749795 258007662 /nfs/dbraw/zinc/00/76/62/258007662.db2.gz LORUXXZBCFOUKA-AWEZNQCLSA-N 2 2 326.444 3.076 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928449 141044219 /nfs/dbraw/zinc/04/42/19/141044219.db2.gz GTZDCQWIPLVPJC-NQIIRXRSSA-N 3 2 344.547 3.004 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928449 141044220 /nfs/dbraw/zinc/04/42/20/141044220.db2.gz GTZDCQWIPLVPJC-NQIIRXRSSA-N 3 2 344.547 3.004 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246938173 141044814 /nfs/dbraw/zinc/04/48/14/141044814.db2.gz ALGYBUADGRVWIE-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246938173 141044815 /nfs/dbraw/zinc/04/48/15/141044815.db2.gz ALGYBUADGRVWIE-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338177959 141105371 /nfs/dbraw/zinc/10/53/71/141105371.db2.gz TWTWHZPSWOEWQD-INIZCTEOSA-N 2 2 337.423 3.183 10 0 EGAELP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000338177959 141105373 /nfs/dbraw/zinc/10/53/73/141105373.db2.gz TWTWHZPSWOEWQD-INIZCTEOSA-N 2 2 337.423 3.183 10 0 EGAELP c1cn(-c2ccc(C[NH2+]Cc3ccn(Cc4ccccc4)n3)cc2)c[nH+]1 ZINC000341253431 141144260 /nfs/dbraw/zinc/14/42/60/141144260.db2.gz BOYZBUXXZGSOTO-UHFFFAOYSA-N 2 2 343.434 3.407 10 0 EGAELP FC(F)Oc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)ccn1 ZINC000341261277 141145530 /nfs/dbraw/zinc/14/55/30/141145530.db2.gz BHPZTNFBWCOKDI-UHFFFAOYSA-N 2 2 336.367 3.220 10 0 EGAELP COCC[N@H+](Cc1ccc(C)o1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346210697 141181371 /nfs/dbraw/zinc/18/13/71/141181371.db2.gz VQONXQSKSXCLNJ-UHFFFAOYSA-N 2 2 331.441 3.484 10 0 EGAELP COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346210697 141181374 /nfs/dbraw/zinc/18/13/74/141181374.db2.gz VQONXQSKSXCLNJ-UHFFFAOYSA-N 2 2 331.441 3.484 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346225565 141185034 /nfs/dbraw/zinc/18/50/34/141185034.db2.gz RQIGWNNWSRWMCI-ZDUSSCGKSA-N 2 2 333.457 3.097 10 0 EGAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346225565 141185035 /nfs/dbraw/zinc/18/50/35/141185035.db2.gz RQIGWNNWSRWMCI-ZDUSSCGKSA-N 2 2 333.457 3.097 10 0 EGAELP C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347941830 141221878 /nfs/dbraw/zinc/22/18/78/141221878.db2.gz AKOVUXXSDIWSNF-CABCVRRESA-N 2 2 348.560 3.484 10 0 EGAELP C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347941830 141221880 /nfs/dbraw/zinc/22/18/80/141221880.db2.gz AKOVUXXSDIWSNF-CABCVRRESA-N 2 2 348.560 3.484 10 0 EGAELP Cc1ccc(-c2noc(CCC[NH+]3CCC([NH+](C)C)CC3)n2)cc1F ZINC000175086607 144057706 /nfs/dbraw/zinc/05/77/06/144057706.db2.gz SAHHDPIJCCRDRC-UHFFFAOYSA-N 2 2 346.450 3.143 10 0 EGAELP C[C@H](c1cccc(Cl)c1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363798 144157906 /nfs/dbraw/zinc/15/79/06/144157906.db2.gz CFPCUCOWKNTHLN-CQSZACIVSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@H](c1cccc(Cl)c1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363798 144157907 /nfs/dbraw/zinc/15/79/07/144157907.db2.gz CFPCUCOWKNTHLN-CQSZACIVSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@H](c1cccc(Cl)c1F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000187363798 144157909 /nfs/dbraw/zinc/15/79/09/144157909.db2.gz CFPCUCOWKNTHLN-CQSZACIVSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@H](c1cccc(Cl)c1F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000187363798 144157911 /nfs/dbraw/zinc/15/79/11/144157911.db2.gz CFPCUCOWKNTHLN-CQSZACIVSA-N 2 2 341.902 3.498 10 0 EGAELP Cc1nocc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351508360 144271120 /nfs/dbraw/zinc/27/11/20/144271120.db2.gz HFMHHUXFUSOUAH-FQEVSTJZSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351508360 144271122 /nfs/dbraw/zinc/27/11/22/144271122.db2.gz HFMHHUXFUSOUAH-FQEVSTJZSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351508360 144271123 /nfs/dbraw/zinc/27/11/23/144271123.db2.gz HFMHHUXFUSOUAH-FQEVSTJZSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351508360 144271125 /nfs/dbraw/zinc/27/11/25/144271125.db2.gz HFMHHUXFUSOUAH-FQEVSTJZSA-N 2 2 325.456 3.471 10 0 EGAELP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229814 286206180 /nfs/dbraw/zinc/20/61/80/286206180.db2.gz RNMQUKZXDFLNIW-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229814 286206181 /nfs/dbraw/zinc/20/61/81/286206181.db2.gz RNMQUKZXDFLNIW-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000359229814 286206182 /nfs/dbraw/zinc/20/61/82/286206182.db2.gz RNMQUKZXDFLNIW-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000359229814 286206183 /nfs/dbraw/zinc/20/61/83/286206183.db2.gz RNMQUKZXDFLNIW-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000116384778 152057943 /nfs/dbraw/zinc/05/79/43/152057943.db2.gz FRHDWVFBRHTIBZ-UTKZUKDTSA-N 2 2 349.478 3.358 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000116384778 152057947 /nfs/dbraw/zinc/05/79/47/152057947.db2.gz FRHDWVFBRHTIBZ-UTKZUKDTSA-N 2 2 349.478 3.358 10 0 EGAELP Cc1cccc(C[NH+]2CCC(NC(=O)Nc3cc[nH+]c(C)c3)CC2)c1 ZINC000119282547 152191879 /nfs/dbraw/zinc/19/18/79/152191879.db2.gz IKMDRFXSZICMAI-UHFFFAOYSA-N 2 2 338.455 3.485 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119693384 152222945 /nfs/dbraw/zinc/22/29/45/152222945.db2.gz WHKPXWKOFLQUAP-QUCCMNQESA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119693384 152222947 /nfs/dbraw/zinc/22/29/47/152222947.db2.gz WHKPXWKOFLQUAP-QUCCMNQESA-N 2 2 338.499 3.442 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121372503 152345623 /nfs/dbraw/zinc/34/56/23/152345623.db2.gz VEBLSCUPXIJENH-INIZCTEOSA-N 2 2 325.456 3.280 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191943562 153232240 /nfs/dbraw/zinc/23/22/40/153232240.db2.gz BJXNQFJCBLULQW-UHFFFAOYSA-N 3 2 338.499 3.489 10 0 EGAELP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337437425 154351558 /nfs/dbraw/zinc/35/15/58/154351558.db2.gz KEWIMGUBQVNGDZ-MRXNPFEDSA-N 2 2 328.460 3.246 10 0 EGAELP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337437425 154351564 /nfs/dbraw/zinc/35/15/64/154351564.db2.gz KEWIMGUBQVNGDZ-MRXNPFEDSA-N 2 2 328.460 3.246 10 0 EGAELP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000113997692 162221364 /nfs/dbraw/zinc/22/13/64/162221364.db2.gz DDEQBRVOJDORNZ-IBGZPJMESA-N 2 2 343.515 3.134 10 0 EGAELP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000113997692 162221365 /nfs/dbraw/zinc/22/13/65/162221365.db2.gz DDEQBRVOJDORNZ-IBGZPJMESA-N 2 2 343.515 3.134 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000127273399 162326633 /nfs/dbraw/zinc/32/66/33/162326633.db2.gz TXZWVOKVGJDDKF-OAHLLOKOSA-N 2 2 339.439 3.126 10 0 EGAELP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000248406296 163001403 /nfs/dbraw/zinc/00/14/03/163001403.db2.gz SFPINVGBBLVFFH-PWRODBHTSA-N 3 2 338.499 3.164 10 0 EGAELP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000248406296 163001405 /nfs/dbraw/zinc/00/14/05/163001405.db2.gz SFPINVGBBLVFFH-PWRODBHTSA-N 3 2 338.499 3.164 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249213219 163060358 /nfs/dbraw/zinc/06/03/58/163060358.db2.gz YUPDASWMJPCECQ-TXPKVOOTSA-N 2 2 325.456 3.261 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249213219 163060360 /nfs/dbraw/zinc/06/03/60/163060360.db2.gz YUPDASWMJPCECQ-TXPKVOOTSA-N 2 2 325.456 3.261 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000249259300 163061979 /nfs/dbraw/zinc/06/19/79/163061979.db2.gz HSCAGPAKJJOEAN-XHSDSOJGSA-N 2 2 328.460 3.216 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c[nH+]1 ZINC000343657068 164005462 /nfs/dbraw/zinc/00/54/62/164005462.db2.gz KIKVVDTVOSCPQS-XLIONFOSSA-N 2 2 337.467 3.102 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c[nH+]1 ZINC000343657070 164005553 /nfs/dbraw/zinc/00/55/53/164005553.db2.gz KIKVVDTVOSCPQS-YLJYHZDGSA-N 2 2 337.467 3.102 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000343690637 164013855 /nfs/dbraw/zinc/01/38/55/164013855.db2.gz ZOQZHAKBZYNAIL-UHFFFAOYSA-N 2 2 347.409 3.356 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000344089804 164100854 /nfs/dbraw/zinc/10/08/54/164100854.db2.gz FHGLKFRSROZOSB-LJQANCHMSA-N 2 2 337.552 3.220 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000344089804 164100857 /nfs/dbraw/zinc/10/08/57/164100857.db2.gz FHGLKFRSROZOSB-LJQANCHMSA-N 2 2 337.552 3.220 10 0 EGAELP [NH3+]CCCN(c1ccccc1F)C1CCN(c2cccc[nH+]2)CC1 ZINC000346372681 164376249 /nfs/dbraw/zinc/37/62/49/164376249.db2.gz WAZIJQGMTSKYPQ-UHFFFAOYSA-N 2 2 328.435 3.045 10 0 EGAELP C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346553865 164395613 /nfs/dbraw/zinc/39/56/13/164395613.db2.gz WBVKYYXXQDPGMW-VOIUYBSRSA-N 2 2 339.464 3.331 10 0 EGAELP COC(=O)c1sccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352341789 165352694 /nfs/dbraw/zinc/35/26/94/165352694.db2.gz KCUAIDQFSNAXLU-UHFFFAOYSA-N 2 2 346.452 3.282 10 0 EGAELP Cc1ccncc1C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352394653 165378628 /nfs/dbraw/zinc/37/86/28/165378628.db2.gz RYIKZBAOOFOYLT-UHFFFAOYSA-N 2 2 338.499 3.034 10 0 EGAELP Cc1ccncc1C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352394653 165378631 /nfs/dbraw/zinc/37/86/31/165378631.db2.gz RYIKZBAOOFOYLT-UHFFFAOYSA-N 2 2 338.499 3.034 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N(CC)CCC[NH+](C)C ZINC000355968083 166362520 /nfs/dbraw/zinc/36/25/20/166362520.db2.gz WZMKUXVJYVKJBQ-UHFFFAOYSA-N 2 2 344.503 3.179 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000358986944 167028742 /nfs/dbraw/zinc/02/87/42/167028742.db2.gz ONYSQKIFSYMEFQ-PZJWPPBQSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000358986944 167028744 /nfs/dbraw/zinc/02/87/44/167028744.db2.gz ONYSQKIFSYMEFQ-PZJWPPBQSA-N 2 2 338.499 3.442 10 0 EGAELP COc1ncccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367066818 168174799 /nfs/dbraw/zinc/17/47/99/168174799.db2.gz OIPKRACMVIREJS-OAHLLOKOSA-N 2 2 326.444 3.003 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000164617468 226087660 /nfs/dbraw/zinc/08/76/60/226087660.db2.gz AYTZCQUNDWSGMJ-UHFFFAOYSA-N 3 2 340.515 3.268 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1NC(C)=O ZINC000163842554 226021717 /nfs/dbraw/zinc/02/17/17/226021717.db2.gz VGKVPAJXAHCZGJ-CQSZACIVSA-N 2 2 342.443 3.201 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171652523 227199734 /nfs/dbraw/zinc/19/97/34/227199734.db2.gz HIXPOZKZSLSOEQ-DLBZAZTESA-N 2 2 338.455 3.151 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171652523 227199738 /nfs/dbraw/zinc/19/97/38/227199738.db2.gz HIXPOZKZSLSOEQ-DLBZAZTESA-N 2 2 338.455 3.151 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278531301 268033553 /nfs/dbraw/zinc/03/35/53/268033553.db2.gz FBOZWOIEIPNVQK-UHFFFAOYSA-N 2 2 339.439 3.180 10 0 EGAELP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnccc3C)CC2)c1 ZINC000279815307 275362199 /nfs/dbraw/zinc/36/21/99/275362199.db2.gz FZYSUKMCHPWQEL-UHFFFAOYSA-N 2 2 338.499 3.000 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189456839 276004903 /nfs/dbraw/zinc/00/49/03/276004903.db2.gz OLBTZYCOXXDJTH-IBGZPJMESA-N 2 2 343.515 3.181 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482721 276228003 /nfs/dbraw/zinc/22/80/03/276228003.db2.gz HGXVBNTWAUGRRR-LYAPFXNSSA-N 3 2 347.469 3.112 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482721 276228004 /nfs/dbraw/zinc/22/80/04/276228004.db2.gz HGXVBNTWAUGRRR-LYAPFXNSSA-N 3 2 347.469 3.112 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000130331061 307626826 /nfs/dbraw/zinc/62/68/26/307626826.db2.gz PMVYQOVGVMLAKX-UHFFFAOYSA-N 2 2 332.879 3.349 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000414124725 309062433 /nfs/dbraw/zinc/06/24/33/309062433.db2.gz LIFWWSHZJZPCRU-CYBMUJFWSA-N 2 2 343.862 3.461 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839296 309104819 /nfs/dbraw/zinc/10/48/19/309104819.db2.gz VXYZQUYPNFRHKR-YJBOKZPZSA-N 2 2 325.456 3.256 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3sccc32)nc[nH+]1 ZINC000329105013 308777914 /nfs/dbraw/zinc/77/79/14/308777914.db2.gz CWWOCINZJSEPFJ-DZGCQCFKSA-N 2 2 343.500 3.216 10 0 EGAELP CCc1nc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc(C)[nH+]1 ZINC000342608849 308880793 /nfs/dbraw/zinc/88/07/93/308880793.db2.gz WEKSZYDVULKMSG-OAHLLOKOSA-N 2 2 328.435 3.370 10 0 EGAELP c1nc(-c2ccccc2)sc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888956 309107398 /nfs/dbraw/zinc/10/73/98/309107398.db2.gz YJCNEIXWFREETI-UHFFFAOYSA-N 2 2 338.480 3.475 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414965061 309111847 /nfs/dbraw/zinc/11/18/47/309111847.db2.gz YZUQHILLMBIYJS-JOYOIKCWSA-N 2 2 349.219 3.281 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000415948411 309150676 /nfs/dbraw/zinc/15/06/76/309150676.db2.gz YGFAALZUCBDMGB-UHFFFAOYSA-N 2 2 337.427 3.074 10 0 EGAELP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000419286807 309263223 /nfs/dbraw/zinc/26/32/23/309263223.db2.gz FXUSZSHGUPMKKV-GOSISDBHSA-N 2 2 347.890 3.052 10 0 EGAELP CN(Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C[NH+]1CCCC1 ZINC000419369944 309265530 /nfs/dbraw/zinc/26/55/30/309265530.db2.gz GNXHBQUMNZKVGD-UHFFFAOYSA-N 2 2 326.488 3.238 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420401714 309286458 /nfs/dbraw/zinc/28/64/58/309286458.db2.gz PUZVXIDGWPLJTH-MSOLQXFVSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420401714 309286459 /nfs/dbraw/zinc/28/64/59/309286459.db2.gz PUZVXIDGWPLJTH-MSOLQXFVSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1C ZINC000421358780 309320255 /nfs/dbraw/zinc/32/02/55/309320255.db2.gz USRDVVSLGGSAOB-AWEZNQCLSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1C ZINC000421358780 309320256 /nfs/dbraw/zinc/32/02/56/309320256.db2.gz USRDVVSLGGSAOB-AWEZNQCLSA-N 2 2 347.894 3.294 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866642 309344250 /nfs/dbraw/zinc/34/42/50/309344250.db2.gz BHBFVYHHRDRXDM-ZIFCJYIRSA-N 2 2 345.556 3.415 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866642 309344251 /nfs/dbraw/zinc/34/42/51/309344251.db2.gz BHBFVYHHRDRXDM-ZIFCJYIRSA-N 2 2 345.556 3.415 10 0 EGAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000422725216 309365191 /nfs/dbraw/zinc/36/51/91/309365191.db2.gz AVWJSJQURIOCBU-IRXDYDNUSA-N 2 2 340.870 3.113 10 0 EGAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422815574 309369961 /nfs/dbraw/zinc/36/99/61/309369961.db2.gz BYQHSWVJZINLRT-SUMWQHHRSA-N 2 2 328.847 3.036 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422860612 309372352 /nfs/dbraw/zinc/37/23/52/309372352.db2.gz IJUZATQLJUBJFA-LMMKCTJWSA-N 2 2 332.488 3.031 10 0 EGAELP C[C@@H]1C[C@@H]1[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000422923412 309376218 /nfs/dbraw/zinc/37/62/18/309376218.db2.gz RYETTXDNHCSDCE-GMVCYHGDSA-N 2 2 334.891 3.394 10 0 EGAELP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422999642 309380171 /nfs/dbraw/zinc/38/01/71/309380171.db2.gz FOAQSCBCTNUHAI-RBUKOAKNSA-N 2 2 332.488 3.285 10 0 EGAELP Fc1ccc(C2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423029522 309381783 /nfs/dbraw/zinc/38/17/83/309381783.db2.gz IFFNZJBFSYSGIX-YIGDWTTGSA-N 2 2 332.463 3.209 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423045225 309382839 /nfs/dbraw/zinc/38/28/39/309382839.db2.gz CPILCEMDVJTKDB-KUDFPVQQSA-N 3 2 338.499 3.020 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423045225 309382840 /nfs/dbraw/zinc/38/28/40/309382840.db2.gz CPILCEMDVJTKDB-KUDFPVQQSA-N 3 2 338.499 3.020 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423063527 309384025 /nfs/dbraw/zinc/38/40/25/309384025.db2.gz OXWPVRXRYUISLF-ZIAGYGMSSA-N 2 2 327.266 3.207 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423104124 309386107 /nfs/dbraw/zinc/38/61/07/309386107.db2.gz GRCMPVQGWOQAJV-HUUCEWRRSA-N 2 2 328.378 3.420 10 0 EGAELP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000423160444 309388843 /nfs/dbraw/zinc/38/88/43/309388843.db2.gz HGWMMBXLTNJMLS-QXCFHYIPSA-N 2 2 334.891 3.333 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000423185236 309389564 /nfs/dbraw/zinc/38/95/64/309389564.db2.gz UUWUUEGZSODPFR-GOSISDBHSA-N 3 2 329.532 3.333 10 0 EGAELP c1ccc2c(c1)SCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423229159 309391467 /nfs/dbraw/zinc/39/14/67/309391467.db2.gz GOFAERBFIRGDLU-MRXNPFEDSA-N 2 2 326.469 3.140 10 0 EGAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC)c1 ZINC000423242150 309392002 /nfs/dbraw/zinc/39/20/02/309392002.db2.gz YQJMQKQKPHPIKV-GOSISDBHSA-N 2 2 326.444 3.063 10 0 EGAELP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000423291437 309394153 /nfs/dbraw/zinc/39/41/53/309394153.db2.gz IHPNURHJDUVMMD-JLTOFOAXSA-N 2 2 338.430 3.458 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000423376810 309397717 /nfs/dbraw/zinc/39/77/17/309397717.db2.gz YPZBKSOOCUBZRJ-ZJNRKIDTSA-N 2 2 332.879 3.483 10 0 EGAELP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423499756 309403125 /nfs/dbraw/zinc/40/31/25/309403125.db2.gz JQIZLOMQYDNJSI-PXAZEXFGSA-N 2 2 333.867 3.089 10 0 EGAELP CC[NH+](CC)CC(=O)Nc1cccc(NCc2c[nH+]cn2C(C)C)c1 ZINC000424183768 309432190 /nfs/dbraw/zinc/43/21/90/309432190.db2.gz WQHXTNRLAHRQDY-UHFFFAOYSA-N 2 2 343.475 3.356 10 0 EGAELP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449072136 310034733 /nfs/dbraw/zinc/03/47/33/310034733.db2.gz JPMJJOFQWKOAHQ-LJQANCHMSA-N 3 2 331.548 3.402 10 0 EGAELP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449072136 310034734 /nfs/dbraw/zinc/03/47/34/310034734.db2.gz JPMJJOFQWKOAHQ-LJQANCHMSA-N 3 2 331.548 3.402 10 0 EGAELP Cc1nnsc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449339834 310054799 /nfs/dbraw/zinc/05/47/99/310054799.db2.gz ZJRXBBAVSXCCRZ-CQSZACIVSA-N 2 2 330.501 3.032 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@H](C)c1nc2ccccc2s1 ZINC000449397285 310058570 /nfs/dbraw/zinc/05/85/70/310058570.db2.gz ORRPQVCMHFDULP-JYJNAYRXSA-N 2 2 347.528 3.225 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@H](C)c1nc2ccccc2s1 ZINC000449397285 310058571 /nfs/dbraw/zinc/05/85/71/310058571.db2.gz ORRPQVCMHFDULP-JYJNAYRXSA-N 2 2 347.528 3.225 10 0 EGAELP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000449492000 310066440 /nfs/dbraw/zinc/06/64/40/310066440.db2.gz IHNLVNZQFORDEO-HOCLYGCPSA-N 2 2 336.442 3.444 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449515240 310068595 /nfs/dbraw/zinc/06/85/95/310068595.db2.gz YOWHEJXDCOHBST-KANFNMMFSA-N 2 2 330.472 3.143 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449515240 310068596 /nfs/dbraw/zinc/06/85/96/310068596.db2.gz YOWHEJXDCOHBST-KANFNMMFSA-N 2 2 330.472 3.143 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450111340 310104121 /nfs/dbraw/zinc/10/41/21/310104121.db2.gz HGGQMTQEOLYHKT-NEWSRXKRSA-N 2 2 344.503 3.090 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450111340 310104122 /nfs/dbraw/zinc/10/41/22/310104122.db2.gz HGGQMTQEOLYHKT-NEWSRXKRSA-N 2 2 344.503 3.090 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cc1 ZINC000450680587 310136832 /nfs/dbraw/zinc/13/68/32/310136832.db2.gz LAIWDFPDQQWOIS-AWEZNQCLSA-N 2 2 336.443 3.033 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCO1 ZINC000453244417 310266460 /nfs/dbraw/zinc/26/64/60/310266460.db2.gz DNEFXXLVMMQUHZ-CCKFTAQKSA-N 2 2 345.874 3.300 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCO1 ZINC000453244417 310266461 /nfs/dbraw/zinc/26/64/61/310266461.db2.gz DNEFXXLVMMQUHZ-CCKFTAQKSA-N 2 2 345.874 3.300 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258626 310267469 /nfs/dbraw/zinc/26/74/69/310267469.db2.gz IAPVKWFMCRLWPQ-HZPDHXFCSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258626 310267470 /nfs/dbraw/zinc/26/74/70/310267470.db2.gz IAPVKWFMCRLWPQ-HZPDHXFCSA-N 2 2 330.447 3.476 10 0 EGAELP CCCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000453397190 310274821 /nfs/dbraw/zinc/27/48/21/310274821.db2.gz VPZYJUKHLKRNBN-YJBOKZPZSA-N 2 2 328.460 3.022 10 0 EGAELP CCCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000453397190 310274822 /nfs/dbraw/zinc/27/48/22/310274822.db2.gz VPZYJUKHLKRNBN-YJBOKZPZSA-N 2 2 328.460 3.022 10 0 EGAELP CCCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000453397189 310274835 /nfs/dbraw/zinc/27/48/35/310274835.db2.gz VPZYJUKHLKRNBN-QAPCUYQASA-N 2 2 328.460 3.022 10 0 EGAELP CCCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000453397189 310274836 /nfs/dbraw/zinc/27/48/36/310274836.db2.gz VPZYJUKHLKRNBN-QAPCUYQASA-N 2 2 328.460 3.022 10 0 EGAELP Cc1cc(C)c(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C)[nH+]1 ZINC000455479882 310362903 /nfs/dbraw/zinc/36/29/03/310362903.db2.gz OALJTDFCFQYZEH-SFHVURJKSA-N 2 2 340.471 3.301 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)Cc1ccccc1 ZINC000474032422 310783802 /nfs/dbraw/zinc/78/38/02/310783802.db2.gz JCFZJKXMOCDORU-XSDIEEQYSA-N 2 2 330.516 3.344 10 0 EGAELP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c(C)c1 ZINC000490145309 311134166 /nfs/dbraw/zinc/13/41/66/311134166.db2.gz SSGOJKSRGFUPIR-UNMCSNQZSA-N 2 2 338.495 3.439 10 0 EGAELP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452062 312117352 /nfs/dbraw/zinc/11/73/52/312117352.db2.gz KERHHAPKEWRWOI-GUGJDKNPSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452062 312117353 /nfs/dbraw/zinc/11/73/53/312117353.db2.gz KERHHAPKEWRWOI-GUGJDKNPSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@H]1C[C@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000511648092 312165649 /nfs/dbraw/zinc/16/56/49/312165649.db2.gz RXXREPMZBNIBHU-WMZOPIPTSA-N 2 2 336.483 3.489 10 0 EGAELP C[C@H]1C[C@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000511648092 312165652 /nfs/dbraw/zinc/16/56/52/312165652.db2.gz RXXREPMZBNIBHU-WMZOPIPTSA-N 2 2 336.483 3.489 10 0 EGAELP Cc1c(C[N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cnn1C ZINC000514839403 312248391 /nfs/dbraw/zinc/24/83/91/312248391.db2.gz ZQPUDHXJLCMVPT-UHFFFAOYSA-N 2 2 328.504 3.319 10 0 EGAELP Cc1c(C[N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cnn1C ZINC000514839403 312248394 /nfs/dbraw/zinc/24/83/94/312248394.db2.gz ZQPUDHXJLCMVPT-UHFFFAOYSA-N 2 2 328.504 3.319 10 0 EGAELP Cc1c(C[NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)cnn1C ZINC000514839403 312248395 /nfs/dbraw/zinc/24/83/95/312248395.db2.gz ZQPUDHXJLCMVPT-UHFFFAOYSA-N 2 2 328.504 3.319 10 0 EGAELP Cc1c(C[NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)cnn1C ZINC000514839403 312248398 /nfs/dbraw/zinc/24/83/98/312248398.db2.gz ZQPUDHXJLCMVPT-UHFFFAOYSA-N 2 2 328.504 3.319 10 0 EGAELP COc1cc(F)ccc1N1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000515626892 312291892 /nfs/dbraw/zinc/29/18/92/312291892.db2.gz FDLWUJTWKJBBEP-UHFFFAOYSA-N 2 2 343.446 3.293 10 0 EGAELP FC(F)(F)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)n1cccn1 ZINC000527741449 312930185 /nfs/dbraw/zinc/93/01/85/312930185.db2.gz BUZAXXWEYAWLRA-ZDUSSCGKSA-N 2 2 341.362 3.024 10 0 EGAELP CCOC[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000528733523 313158307 /nfs/dbraw/zinc/15/83/07/313158307.db2.gz VYKXZRCYUJWZLL-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP CCOC[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000528733523 313158310 /nfs/dbraw/zinc/15/83/10/313158310.db2.gz VYKXZRCYUJWZLL-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000530216179 313498837 /nfs/dbraw/zinc/49/88/37/313498837.db2.gz NOIDXYLBDOKDQQ-OKZBNKHCSA-N 2 2 334.891 3.304 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc[nH+]c(C)c2)c(C)c1 ZINC000535061428 314022052 /nfs/dbraw/zinc/02/20/52/314022052.db2.gz SQEVMMTVXHWKOW-IBGZPJMESA-N 2 2 349.438 3.188 10 0 EGAELP COc1cc2c(cc1C[NH+]1CCC(c3c[nH]c[nH+]3)CC1)O[C@@H](C)C2 ZINC000538726132 314270419 /nfs/dbraw/zinc/27/04/19/314270419.db2.gz XROJNQGUTXULHC-ZDUSSCGKSA-N 2 2 327.428 3.121 10 0 EGAELP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424889 315007982 /nfs/dbraw/zinc/00/79/82/315007982.db2.gz FGDSFCDOMOAYOM-RKVPGOIHSA-N 2 2 349.906 3.076 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000563780350 316067202 /nfs/dbraw/zinc/06/72/02/316067202.db2.gz SRCRAACXPIMFTK-PMACEKPBSA-N 2 2 349.482 3.481 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)on1 ZINC000571752986 317242039 /nfs/dbraw/zinc/24/20/39/317242039.db2.gz GFMVZOGYRXNBQP-ZDUSSCGKSA-N 2 2 337.423 3.201 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000572111590 317292513 /nfs/dbraw/zinc/29/25/13/317292513.db2.gz IAVAZQFMZMHZKD-LBPRGKRZSA-N 2 2 334.826 3.457 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1ccc(Cl)cc1F ZINC000572734776 317384394 /nfs/dbraw/zinc/38/43/94/317384394.db2.gz JSARZAUFQNHCNE-UHFFFAOYSA-N 2 2 339.842 3.011 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1ccc(Cl)cc1F ZINC000572734776 317384396 /nfs/dbraw/zinc/38/43/96/317384396.db2.gz JSARZAUFQNHCNE-UHFFFAOYSA-N 2 2 339.842 3.011 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000171939085 323262175 /nfs/dbraw/zinc/26/21/75/323262175.db2.gz SEXLBXVGHXSZEG-CYBMUJFWSA-N 2 2 332.245 3.282 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000171939085 323262177 /nfs/dbraw/zinc/26/21/77/323262177.db2.gz SEXLBXVGHXSZEG-CYBMUJFWSA-N 2 2 332.245 3.282 10 0 EGAELP CC1CC[NH+](Cc2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)CC1 ZINC000350590842 324099076 /nfs/dbraw/zinc/09/90/76/324099076.db2.gz DJDADHKQHPXKFZ-UHFFFAOYSA-N 2 2 332.423 3.169 10 0 EGAELP Cn1c[nH+]cc1Cc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000351290261 324219390 /nfs/dbraw/zinc/21/93/90/324219390.db2.gz QNOPAGPGIYYETM-UHFFFAOYSA-N 2 2 337.427 3.047 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868037 325030164 /nfs/dbraw/zinc/03/01/64/325030164.db2.gz MGHPJBHUBMXKRN-YLJYHZDGSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868037 325030165 /nfs/dbraw/zinc/03/01/65/325030165.db2.gz MGHPJBHUBMXKRN-YLJYHZDGSA-N 2 2 329.488 3.014 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1sccc1Br ZINC000580803133 325296800 /nfs/dbraw/zinc/29/68/00/325296800.db2.gz BBFVYAUFYOMKNE-IUCAKERBSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1sccc1Br ZINC000580803133 325296802 /nfs/dbraw/zinc/29/68/02/325296802.db2.gz BBFVYAUFYOMKNE-IUCAKERBSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@]1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000581078053 325328140 /nfs/dbraw/zinc/32/81/40/325328140.db2.gz WYRUFYIVXKUYCF-NRFANRHFSA-N 2 2 347.466 3.226 10 0 EGAELP C[C@]1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581078053 325328141 /nfs/dbraw/zinc/32/81/41/325328141.db2.gz WYRUFYIVXKUYCF-NRFANRHFSA-N 2 2 347.466 3.226 10 0 EGAELP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000581545201 325370803 /nfs/dbraw/zinc/37/08/03/325370803.db2.gz DZYLNPQHUGROMU-QGZVFWFLSA-N 2 2 331.435 3.311 10 0 EGAELP C[C@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C[C@@H]1n1cc[nH+]c1 ZINC000583124467 325496913 /nfs/dbraw/zinc/49/69/13/325496913.db2.gz CMWZFFMWSMZJLB-BBRMVZONSA-N 2 2 332.411 3.395 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657300 455219097 /nfs/dbraw/zinc/21/90/97/455219097.db2.gz GYBQCFZABNSLDZ-OXQOHEQNSA-N 2 2 346.434 3.328 10 0 EGAELP CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189909858 455252827 /nfs/dbraw/zinc/25/28/27/455252827.db2.gz MSGMPWZMWPHRIA-HNNXBMFYSA-N 2 2 334.423 3.083 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000190473017 455327117 /nfs/dbraw/zinc/32/71/17/455327117.db2.gz OBZSSHNDOKKOAZ-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000190473017 455327120 /nfs/dbraw/zinc/32/71/20/455327120.db2.gz OBZSSHNDOKKOAZ-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000190473017 455327122 /nfs/dbraw/zinc/32/71/22/455327122.db2.gz OBZSSHNDOKKOAZ-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000190473017 455327124 /nfs/dbraw/zinc/32/71/24/455327124.db2.gz OBZSSHNDOKKOAZ-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c(C)cc(C)[nH+]c1C ZINC000631825242 460573173 /nfs/dbraw/zinc/57/31/73/460573173.db2.gz CVFOKUWEHURYKO-LJQANCHMSA-N 2 2 325.456 3.162 10 0 EGAELP CCC[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000245695094 455358109 /nfs/dbraw/zinc/35/81/09/455358109.db2.gz PPBDNNWNHCWMLW-UKRRQHHQSA-N 2 2 338.521 3.044 10 0 EGAELP CCC[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000245695094 455358110 /nfs/dbraw/zinc/35/81/10/455358110.db2.gz PPBDNNWNHCWMLW-UKRRQHHQSA-N 2 2 338.521 3.044 10 0 EGAELP CCCCC[C@H](CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181523134 455348782 /nfs/dbraw/zinc/34/87/82/455348782.db2.gz GYJBDAYSPUSAJL-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCC[C@H](CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181523134 455348786 /nfs/dbraw/zinc/34/87/86/455348786.db2.gz GYJBDAYSPUSAJL-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1OCC(F)(F)F ZINC000623527688 460597802 /nfs/dbraw/zinc/59/78/02/460597802.db2.gz BUKXWQWPHUMNSH-LLVKDONJSA-N 2 2 343.324 3.137 10 0 EGAELP CCOC(=O)CCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000612397646 460618557 /nfs/dbraw/zinc/61/85/57/460618557.db2.gz QSRBGJNGNAYMJB-UHFFFAOYSA-N 2 2 347.484 3.489 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1OCC1CC1 ZINC000083962424 453962792 /nfs/dbraw/zinc/96/27/92/453962792.db2.gz IXNGKGZTRNZJKY-QGZVFWFLSA-N 2 2 341.455 3.348 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(Cc2ccccc2)no1 ZINC000084667718 454004978 /nfs/dbraw/zinc/00/49/78/454004978.db2.gz HWSUPGMHPZSYDQ-GOEBONIOSA-N 2 2 337.427 3.085 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009381 455415498 /nfs/dbraw/zinc/41/54/98/455415498.db2.gz LONHLQTYEODROP-CXAGYDPISA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009381 455415502 /nfs/dbraw/zinc/41/55/02/455415502.db2.gz LONHLQTYEODROP-CXAGYDPISA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009381 455415506 /nfs/dbraw/zinc/41/55/06/455415506.db2.gz LONHLQTYEODROP-CXAGYDPISA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000182009381 455415511 /nfs/dbraw/zinc/41/55/11/455415511.db2.gz LONHLQTYEODROP-CXAGYDPISA-N 2 2 338.879 3.289 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n[nH]1 ZINC000090528115 454317789 /nfs/dbraw/zinc/31/77/89/454317789.db2.gz GIUSTFDAHLLHLL-HNNXBMFYSA-N 2 2 344.478 3.085 10 0 EGAELP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000091670286 454455210 /nfs/dbraw/zinc/45/52/10/454455210.db2.gz ZMUMPTVTIWSGIO-UHFFFAOYSA-N 2 2 346.393 3.162 10 0 EGAELP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091671219 454455844 /nfs/dbraw/zinc/45/58/44/454455844.db2.gz ZNNTZDOXIHBBLV-UHFFFAOYSA-N 2 2 348.441 3.293 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000092066885 454512428 /nfs/dbraw/zinc/51/24/28/454512428.db2.gz OFUPTOZWVRLHRY-NVXWUHKLSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000092066885 454512429 /nfs/dbraw/zinc/51/24/29/454512429.db2.gz OFUPTOZWVRLHRY-NVXWUHKLSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(C)nc2s1 ZINC000092066885 454512430 /nfs/dbraw/zinc/51/24/30/454512430.db2.gz OFUPTOZWVRLHRY-NVXWUHKLSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(C)nc2s1 ZINC000092066885 454512431 /nfs/dbraw/zinc/51/24/31/454512431.db2.gz OFUPTOZWVRLHRY-NVXWUHKLSA-N 2 2 344.528 3.461 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123308325 454623450 /nfs/dbraw/zinc/62/34/50/454623450.db2.gz IJTMNXMPOAXXCE-QRQLOZEOSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123308325 454623454 /nfs/dbraw/zinc/62/34/54/454623454.db2.gz IJTMNXMPOAXXCE-QRQLOZEOSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123308325 454623458 /nfs/dbraw/zinc/62/34/58/454623458.db2.gz IJTMNXMPOAXXCE-QRQLOZEOSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123308325 454623461 /nfs/dbraw/zinc/62/34/61/454623461.db2.gz IJTMNXMPOAXXCE-QRQLOZEOSA-N 2 2 331.504 3.059 10 0 EGAELP C[N@H+](Cc1cccc2cccnc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863334 454661469 /nfs/dbraw/zinc/66/14/69/454661469.db2.gz SMXHXJQKROYSLM-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP C[N@@H+](Cc1cccc2cccnc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863334 454661474 /nfs/dbraw/zinc/66/14/74/454661474.db2.gz SMXHXJQKROYSLM-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095555 454685550 /nfs/dbraw/zinc/68/55/50/454685550.db2.gz XWHDZTSTCLWRTR-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095555 454685554 /nfs/dbraw/zinc/68/55/54/454685554.db2.gz XWHDZTSTCLWRTR-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095555 454685557 /nfs/dbraw/zinc/68/55/57/454685557.db2.gz XWHDZTSTCLWRTR-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095555 454685561 /nfs/dbraw/zinc/68/55/61/454685561.db2.gz XWHDZTSTCLWRTR-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000136093425 454719975 /nfs/dbraw/zinc/71/99/75/454719975.db2.gz HCKXPRJOIOQVDG-BBRMVZONSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000136093425 454719979 /nfs/dbraw/zinc/71/99/79/454719979.db2.gz HCKXPRJOIOQVDG-BBRMVZONSA-N 2 2 347.846 3.391 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638930 454724515 /nfs/dbraw/zinc/72/45/15/454724515.db2.gz XQVFRUQAKFDSLI-BEFAXECRSA-N 2 2 327.472 3.406 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638930 454724520 /nfs/dbraw/zinc/72/45/20/454724520.db2.gz XQVFRUQAKFDSLI-BEFAXECRSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638930 454724523 /nfs/dbraw/zinc/72/45/23/454724523.db2.gz XQVFRUQAKFDSLI-BEFAXECRSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638930 454724526 /nfs/dbraw/zinc/72/45/26/454724526.db2.gz XQVFRUQAKFDSLI-BEFAXECRSA-N 2 2 327.472 3.406 10 0 EGAELP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138320 454826337 /nfs/dbraw/zinc/82/63/37/454826337.db2.gz VSFJNBGGMQNHGB-UHFFFAOYSA-N 2 2 341.381 3.203 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000163400083 454844295 /nfs/dbraw/zinc/84/42/95/454844295.db2.gz MWVIBNWBRBLPOB-CZUORRHYSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000163400083 454844298 /nfs/dbraw/zinc/84/42/98/454844298.db2.gz MWVIBNWBRBLPOB-CZUORRHYSA-N 2 2 330.394 3.467 10 0 EGAELP Fc1ccccc1C1([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000182240233 455470231 /nfs/dbraw/zinc/47/02/31/455470231.db2.gz MWADPZSWYDYXML-UHFFFAOYSA-N 2 2 325.431 3.464 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(I)cc1 ZINC000154623446 454913599 /nfs/dbraw/zinc/91/35/99/454913599.db2.gz NWRVJPBCCRZICG-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(I)cc1 ZINC000154623446 454913601 /nfs/dbraw/zinc/91/36/01/454913601.db2.gz NWRVJPBCCRZICG-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064080 454932459 /nfs/dbraw/zinc/93/24/59/454932459.db2.gz GVDLBYZZILMSAL-RTBURBONSA-N 2 2 332.536 3.496 10 0 EGAELP C[C@@H]1CCC[C@H](CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064080 454932463 /nfs/dbraw/zinc/93/24/63/454932463.db2.gz GVDLBYZZILMSAL-RTBURBONSA-N 2 2 332.536 3.496 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000151115303 454940000 /nfs/dbraw/zinc/94/00/00/454940000.db2.gz ZAJNTWKWTJXCIW-OAHLLOKOSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000151115303 454940004 /nfs/dbraw/zinc/94/00/04/454940004.db2.gz ZAJNTWKWTJXCIW-OAHLLOKOSA-N 2 2 345.418 3.208 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415099 455291549 /nfs/dbraw/zinc/29/15/49/455291549.db2.gz CZALYQBCNHFRBP-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415099 455291551 /nfs/dbraw/zinc/29/15/51/455291551.db2.gz CZALYQBCNHFRBP-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415099 455291555 /nfs/dbraw/zinc/29/15/55/455291555.db2.gz CZALYQBCNHFRBP-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cn2)[C@@H](C)C1 ZINC000245415099 455291559 /nfs/dbraw/zinc/29/15/59/455291559.db2.gz CZALYQBCNHFRBP-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)cc(F)c2)nc[nH+]1 ZINC000180575125 455201232 /nfs/dbraw/zinc/20/12/32/455201232.db2.gz MNBVOOACFUCTLM-WBMJQRKESA-N 2 2 347.413 3.116 10 0 EGAELP COC(=O)c1oc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000180652564 455218158 /nfs/dbraw/zinc/21/81/58/455218158.db2.gz HSGKIECYPSGOKE-AWEZNQCLSA-N 2 2 339.395 3.411 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437038 455299322 /nfs/dbraw/zinc/29/93/22/455299322.db2.gz RGQDQTYVLWKTBQ-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437038 455299324 /nfs/dbraw/zinc/29/93/24/455299324.db2.gz RGQDQTYVLWKTBQ-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437038 455299325 /nfs/dbraw/zinc/29/93/25/455299325.db2.gz RGQDQTYVLWKTBQ-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437038 455299327 /nfs/dbraw/zinc/29/93/27/455299327.db2.gz RGQDQTYVLWKTBQ-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cccc(Cl)c1 ZINC000265468037 455330512 /nfs/dbraw/zinc/33/05/12/455330512.db2.gz HIPNFVLRHNUNRL-UHFFFAOYSA-N 2 2 332.835 3.271 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364206 /nfs/dbraw/zinc/36/42/06/455364206.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364209 /nfs/dbraw/zinc/36/42/09/455364209.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364212 /nfs/dbraw/zinc/36/42/12/455364212.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364215 /nfs/dbraw/zinc/36/42/15/455364215.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364220 /nfs/dbraw/zinc/36/42/20/455364220.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364221 /nfs/dbraw/zinc/36/42/21/455364221.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245758304 455373546 /nfs/dbraw/zinc/37/35/46/455373546.db2.gz ZUNNUZQFPHIKRC-WMZOPIPTSA-N 2 2 326.444 3.103 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245758304 455373549 /nfs/dbraw/zinc/37/35/49/455373549.db2.gz ZUNNUZQFPHIKRC-WMZOPIPTSA-N 2 2 326.444 3.103 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000174285989 455376639 /nfs/dbraw/zinc/37/66/39/455376639.db2.gz HKGSJKPHCPDQPV-WBVHZDCISA-N 2 2 325.460 3.146 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000174283964 455376772 /nfs/dbraw/zinc/37/67/72/455376772.db2.gz NOHHUZFIGDVRBD-CHWSQXEVSA-N 2 2 347.413 3.116 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000181987635 455411114 /nfs/dbraw/zinc/41/11/14/455411114.db2.gz VSFIDEKTVKESIG-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000191628941 455505398 /nfs/dbraw/zinc/50/53/98/455505398.db2.gz JAMWDISMAURZTA-NSHDSACASA-N 2 2 327.266 3.203 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247218675 455574378 /nfs/dbraw/zinc/57/43/78/455574378.db2.gz RBGAJAQLYDRGKF-KXBFYZLASA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247218675 455574380 /nfs/dbraw/zinc/57/43/80/455574380.db2.gz RBGAJAQLYDRGKF-KXBFYZLASA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247218675 455574383 /nfs/dbraw/zinc/57/43/83/455574383.db2.gz RBGAJAQLYDRGKF-KXBFYZLASA-N 2 2 332.488 3.450 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247347123 455590817 /nfs/dbraw/zinc/59/08/17/455590817.db2.gz GWGURZXQQAPCDB-PKOBYXMFSA-N 2 2 340.471 3.208 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247347123 455590819 /nfs/dbraw/zinc/59/08/19/455590819.db2.gz GWGURZXQQAPCDB-PKOBYXMFSA-N 2 2 340.471 3.208 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000271465089 455647656 /nfs/dbraw/zinc/64/76/56/455647656.db2.gz GRDHIWOFTLXPQG-IEZWGBDMSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000271465089 455647661 /nfs/dbraw/zinc/64/76/61/455647661.db2.gz GRDHIWOFTLXPQG-IEZWGBDMSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)ccc1F ZINC000248124286 455684489 /nfs/dbraw/zinc/68/44/89/455684489.db2.gz NSSOPIPWBOCWSG-RDJZCZTQSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)n2)ccc1F ZINC000248124286 455684496 /nfs/dbraw/zinc/68/44/96/455684496.db2.gz NSSOPIPWBOCWSG-RDJZCZTQSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000248124286 455684500 /nfs/dbraw/zinc/68/45/00/455684500.db2.gz NSSOPIPWBOCWSG-RDJZCZTQSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000248124286 455684506 /nfs/dbraw/zinc/68/45/06/455684506.db2.gz NSSOPIPWBOCWSG-RDJZCZTQSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)n1-c1ccccc1 ZINC000268930647 455734124 /nfs/dbraw/zinc/73/41/24/455734124.db2.gz MASDIHRXILIBDI-SFHVURJKSA-N 2 2 334.423 3.449 10 0 EGAELP C[NH+](C)[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(Cl)c1 ZINC000606533233 460692818 /nfs/dbraw/zinc/69/28/18/460692818.db2.gz NJZYMOSEPDWXMX-MRXNPFEDSA-N 2 2 328.803 3.229 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989897 455755837 /nfs/dbraw/zinc/75/58/37/455755837.db2.gz JNIFQOIMOHSMTH-XFQXTVEOSA-N 2 2 337.467 3.275 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989897 455755839 /nfs/dbraw/zinc/75/58/39/455755839.db2.gz JNIFQOIMOHSMTH-XFQXTVEOSA-N 2 2 337.467 3.275 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253549068 455852944 /nfs/dbraw/zinc/85/29/44/455852944.db2.gz NSRVEDZMLQYKRS-VVLHAWIVSA-N 2 2 340.471 3.311 10 0 EGAELP C[N@H+](CCCNC(=O)Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000606581907 460700992 /nfs/dbraw/zinc/70/09/92/460700992.db2.gz VWMPWUBBHOTAKZ-UHFFFAOYSA-N 2 2 329.448 3.110 10 0 EGAELP C[N@@H+](CCCNC(=O)Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000606581907 460700994 /nfs/dbraw/zinc/70/09/94/460700994.db2.gz VWMPWUBBHOTAKZ-UHFFFAOYSA-N 2 2 329.448 3.110 10 0 EGAELP Fc1cccc([C@H]2C[NH2+]CCN2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000261687770 455928575 /nfs/dbraw/zinc/92/85/75/455928575.db2.gz KKOBSGFPTBGVJM-GOSISDBHSA-N 2 2 342.443 3.219 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cnc(-c2ccncc2)s1 ZINC000262044704 455989851 /nfs/dbraw/zinc/98/98/51/455989851.db2.gz PPLFXNXKZOIIGF-UHFFFAOYSA-N 2 2 338.480 3.209 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cnc(-c2ccncc2)s1 ZINC000262044704 455989855 /nfs/dbraw/zinc/98/98/55/455989855.db2.gz PPLFXNXKZOIIGF-UHFFFAOYSA-N 2 2 338.480 3.209 10 0 EGAELP Cn1cc(C[N@H+](CC[NH3+])CCc2ccccc2)c(-c2ccccc2)n1 ZINC000262123769 456001238 /nfs/dbraw/zinc/00/12/38/456001238.db2.gz XLZIMUZKMVAPJF-UHFFFAOYSA-N 2 2 334.467 3.091 10 0 EGAELP Cn1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)c(-c2ccccc2)n1 ZINC000262123769 456001241 /nfs/dbraw/zinc/00/12/41/456001241.db2.gz XLZIMUZKMVAPJF-UHFFFAOYSA-N 2 2 334.467 3.091 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402956 456210179 /nfs/dbraw/zinc/21/01/79/456210179.db2.gz SQMQTHJKMWYQMU-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402956 456210184 /nfs/dbraw/zinc/21/01/84/456210184.db2.gz SQMQTHJKMWYQMU-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP c1ccc(CN2CCCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298599623 456498332 /nfs/dbraw/zinc/49/83/32/456498332.db2.gz ZAKFQKXNVPINIL-OAQYLSRUSA-N 2 2 327.516 3.258 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054220 456512640 /nfs/dbraw/zinc/51/26/40/456512640.db2.gz CJVXXKGRESCLRC-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054220 456512644 /nfs/dbraw/zinc/51/26/44/456512644.db2.gz CJVXXKGRESCLRC-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054220 456512649 /nfs/dbraw/zinc/51/26/49/456512649.db2.gz CJVXXKGRESCLRC-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054220 456512652 /nfs/dbraw/zinc/51/26/52/456512652.db2.gz CJVXXKGRESCLRC-DAXOMENPSA-N 2 2 330.394 3.153 10 0 EGAELP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000291075231 456519236 /nfs/dbraw/zinc/51/92/36/456519236.db2.gz FWGLOLKORVFPFA-HNNXBMFYSA-N 2 2 339.361 3.342 10 0 EGAELP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353221115 456570368 /nfs/dbraw/zinc/57/03/68/456570368.db2.gz AVQFUHRGHUUMMS-MRVPVSSYSA-N 2 2 342.187 3.098 10 0 EGAELP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353221115 456570373 /nfs/dbraw/zinc/57/03/73/456570373.db2.gz AVQFUHRGHUUMMS-MRVPVSSYSA-N 2 2 342.187 3.098 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)[nH+]c1 ZINC000343453902 456632040 /nfs/dbraw/zinc/63/20/40/456632040.db2.gz TZBOAKMWYDTSJC-ZIFCJYIRSA-N 2 2 329.488 3.235 10 0 EGAELP COC1(C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCC1 ZINC000277210031 456725063 /nfs/dbraw/zinc/72/50/63/456725063.db2.gz WOUDECRNAMBKOH-INIZCTEOSA-N 2 2 346.519 3.372 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339183266 456981032 /nfs/dbraw/zinc/98/10/32/456981032.db2.gz ZVWJAUCFKVAZQJ-JSGCOSHPSA-N 2 2 334.261 3.181 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980485 456987903 /nfs/dbraw/zinc/98/79/03/456987903.db2.gz AYRJJAIRYAJDRB-ZFWWWQNUSA-N 2 2 327.394 3.224 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980485 456987907 /nfs/dbraw/zinc/98/79/07/456987907.db2.gz AYRJJAIRYAJDRB-ZFWWWQNUSA-N 2 2 327.394 3.224 10 0 EGAELP c1ccc(COc2ccc[nH+]c2NCCCC[NH+]2CCOCC2)cc1 ZINC000354071108 457042716 /nfs/dbraw/zinc/04/27/16/457042716.db2.gz IIVAVGQPOAYLTN-UHFFFAOYSA-N 2 2 341.455 3.185 10 0 EGAELP CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000354166640 457104320 /nfs/dbraw/zinc/10/43/20/457104320.db2.gz XKLSTEDRBDCSGQ-SEJPIABJSA-N 3 2 327.516 3.256 10 0 EGAELP CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000354166640 457104325 /nfs/dbraw/zinc/10/43/25/457104325.db2.gz XKLSTEDRBDCSGQ-SEJPIABJSA-N 3 2 327.516 3.256 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360020328 457208160 /nfs/dbraw/zinc/20/81/60/457208160.db2.gz LJMXNQUAWRUOSV-CVEARBPZSA-N 2 2 340.471 3.163 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000360020328 457208163 /nfs/dbraw/zinc/20/81/63/457208163.db2.gz LJMXNQUAWRUOSV-CVEARBPZSA-N 2 2 340.471 3.163 10 0 EGAELP CCc1[nH+]c2ccccc2n1Cc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351209308 457240078 /nfs/dbraw/zinc/24/00/78/457240078.db2.gz RBSSHJBVSLJIQQ-KBPBESRZSA-N 2 2 339.443 3.228 10 0 EGAELP CCc1[nH+]c2ccccc2n1Cc1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351209308 457240084 /nfs/dbraw/zinc/24/00/84/457240084.db2.gz RBSSHJBVSLJIQQ-KBPBESRZSA-N 2 2 339.443 3.228 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000360574993 457320233 /nfs/dbraw/zinc/32/02/33/457320233.db2.gz SXCHBOKCCVRQBJ-NHYWBVRUSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000360574993 457320235 /nfs/dbraw/zinc/32/02/35/457320235.db2.gz SXCHBOKCCVRQBJ-NHYWBVRUSA-N 2 2 327.241 3.259 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000363477748 457342584 /nfs/dbraw/zinc/34/25/84/457342584.db2.gz ARYYMJRCFVBSJJ-MRXNPFEDSA-N 2 2 329.448 3.459 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000363477748 457342592 /nfs/dbraw/zinc/34/25/92/457342592.db2.gz ARYYMJRCFVBSJJ-MRXNPFEDSA-N 2 2 329.448 3.459 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342583334 457379921 /nfs/dbraw/zinc/37/99/21/457379921.db2.gz HFXXBFDZVRTBFW-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342594428 457387009 /nfs/dbraw/zinc/38/70/09/457387009.db2.gz PRYGRPHCDZLNMB-HNNXBMFYSA-N 2 2 340.471 3.029 10 0 EGAELP CSCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352468856 457390479 /nfs/dbraw/zinc/39/04/79/457390479.db2.gz VMURTKXVEGIQJT-UHFFFAOYSA-N 2 2 344.278 3.104 10 0 EGAELP CSCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352468856 457390485 /nfs/dbraw/zinc/39/04/85/457390485.db2.gz VMURTKXVEGIQJT-UHFFFAOYSA-N 2 2 344.278 3.104 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCCC1CCCCC1 ZINC000342600700 457393096 /nfs/dbraw/zinc/39/30/96/457393096.db2.gz KTQYPUDTAANWCU-UHFFFAOYSA-N 2 2 332.492 3.066 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000374018658 457442486 /nfs/dbraw/zinc/44/24/86/457442486.db2.gz PCQGEGLOKCNPBF-FUHIMQAGSA-N 2 2 341.455 3.031 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C[C@H](C)O2 ZINC000374018658 457442491 /nfs/dbraw/zinc/44/24/91/457442491.db2.gz PCQGEGLOKCNPBF-FUHIMQAGSA-N 2 2 341.455 3.031 10 0 EGAELP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021057 457506195 /nfs/dbraw/zinc/50/61/95/457506195.db2.gz PIKSQTKDJITBAV-HNNXBMFYSA-N 2 2 333.476 3.131 10 0 EGAELP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021057 457506205 /nfs/dbraw/zinc/50/62/05/457506205.db2.gz PIKSQTKDJITBAV-HNNXBMFYSA-N 2 2 333.476 3.131 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000399633319 457509491 /nfs/dbraw/zinc/50/94/91/457509491.db2.gz UKDXYTOINWLJGJ-AFTWLNQJSA-N 2 2 334.463 3.368 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000399633319 457509499 /nfs/dbraw/zinc/50/94/99/457509499.db2.gz UKDXYTOINWLJGJ-AFTWLNQJSA-N 2 2 334.463 3.368 10 0 EGAELP CC[C@](C)(C(=O)OC)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000425348914 457512028 /nfs/dbraw/zinc/51/20/28/457512028.db2.gz CUFQPHZOWPBFDJ-GOSISDBHSA-N 2 2 347.484 3.488 10 0 EGAELP CC[C@](C)(C(=O)OC)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000425348914 457512033 /nfs/dbraw/zinc/51/20/33/457512033.db2.gz CUFQPHZOWPBFDJ-GOSISDBHSA-N 2 2 347.484 3.488 10 0 EGAELP CS[C@@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000425363957 457519421 /nfs/dbraw/zinc/51/94/21/457519421.db2.gz YAVOLEBIGIDKBX-VQTJNVASSA-N 2 2 347.572 3.068 10 0 EGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211439 457525156 /nfs/dbraw/zinc/52/51/56/457525156.db2.gz KPEDISTWLJWATP-LBPRGKRZSA-N 2 2 332.835 3.270 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000374214977 457526579 /nfs/dbraw/zinc/52/65/79/457526579.db2.gz BKGSLQPIIHISHH-UHFFFAOYSA-N 2 2 339.468 3.164 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000425420483 457545518 /nfs/dbraw/zinc/54/55/18/457545518.db2.gz MKQRSWPEBVSJEX-JXFKEZNVSA-N 2 2 333.439 3.423 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000425420483 457545522 /nfs/dbraw/zinc/54/55/22/457545522.db2.gz MKQRSWPEBVSJEX-JXFKEZNVSA-N 2 2 333.439 3.423 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361380951 457712567 /nfs/dbraw/zinc/71/25/67/457712567.db2.gz ZJSGEHRPKYTPSE-HOTGVXAUSA-N 2 2 347.528 3.356 10 0 EGAELP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361382146 457713059 /nfs/dbraw/zinc/71/30/59/457713059.db2.gz SSIIGPWRQKFNQK-SJORKVTESA-N 2 2 342.487 3.019 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000358001845 457735942 /nfs/dbraw/zinc/73/59/42/457735942.db2.gz FHGWWTIIQYDREM-SUNKGSAMSA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000358001845 457735946 /nfs/dbraw/zinc/73/59/46/457735946.db2.gz FHGWWTIIQYDREM-SUNKGSAMSA-N 2 2 327.266 3.058 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H](C)C1 ZINC000358311331 457925671 /nfs/dbraw/zinc/92/56/71/457925671.db2.gz YTULHUUUEPLSKX-FXAWDEMLSA-N 2 2 348.535 3.225 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H](C)C1 ZINC000358311331 457925678 /nfs/dbraw/zinc/92/56/78/457925678.db2.gz YTULHUUUEPLSKX-FXAWDEMLSA-N 2 2 348.535 3.225 10 0 EGAELP CC(C)[NH+]1CCC(N(C)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445800490 458090028 /nfs/dbraw/zinc/09/00/28/458090028.db2.gz ZFMOVMVEQSQNMD-UHFFFAOYSA-N 2 2 326.488 3.236 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445808868 458091740 /nfs/dbraw/zinc/09/17/40/458091740.db2.gz DIWACLGLSZZFID-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445808868 458091744 /nfs/dbraw/zinc/09/17/44/458091744.db2.gz DIWACLGLSZZFID-IBGZPJMESA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445808869 458091979 /nfs/dbraw/zinc/09/19/79/458091979.db2.gz DIWACLGLSZZFID-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445808869 458091982 /nfs/dbraw/zinc/09/19/82/458091982.db2.gz DIWACLGLSZZFID-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000445811725 458093881 /nfs/dbraw/zinc/09/38/81/458093881.db2.gz TZNSDIWAQRPTBH-XLIONFOSSA-N 2 2 335.455 3.211 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000445811725 458093886 /nfs/dbraw/zinc/09/38/86/458093886.db2.gz TZNSDIWAQRPTBH-XLIONFOSSA-N 2 2 335.455 3.211 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152350 458103244 /nfs/dbraw/zinc/10/32/44/458103244.db2.gz AOZSEFAXQXBLDM-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152350 458103252 /nfs/dbraw/zinc/10/32/52/458103252.db2.gz AOZSEFAXQXBLDM-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152350 458103257 /nfs/dbraw/zinc/10/32/57/458103257.db2.gz AOZSEFAXQXBLDM-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000369152350 458103261 /nfs/dbraw/zinc/10/32/61/458103261.db2.gz AOZSEFAXQXBLDM-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP COCC[C@H]1CCCC[NH+](CC[N@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000372103051 458195005 /nfs/dbraw/zinc/19/50/05/458195005.db2.gz QDZQPZFMAWJZIU-WOJBJXKFSA-N 2 2 340.552 3.264 10 0 EGAELP COCC[C@H]1CCCC[NH+](CC[N@@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000372103051 458195014 /nfs/dbraw/zinc/19/50/14/458195014.db2.gz QDZQPZFMAWJZIU-WOJBJXKFSA-N 2 2 340.552 3.264 10 0 EGAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975345 458244428 /nfs/dbraw/zinc/24/44/28/458244428.db2.gz HUEAJWMITWSLDH-RXVVDRJESA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975345 458244430 /nfs/dbraw/zinc/24/44/30/458244430.db2.gz HUEAJWMITWSLDH-RXVVDRJESA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975345 458244433 /nfs/dbraw/zinc/24/44/33/458244433.db2.gz HUEAJWMITWSLDH-RXVVDRJESA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975345 458244436 /nfs/dbraw/zinc/24/44/36/458244436.db2.gz HUEAJWMITWSLDH-RXVVDRJESA-N 2 2 336.483 3.444 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004364 458252317 /nfs/dbraw/zinc/25/23/17/458252317.db2.gz LIJXTHYDDXEMET-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004364 458252323 /nfs/dbraw/zinc/25/23/23/458252323.db2.gz LIJXTHYDDXEMET-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004364 458252327 /nfs/dbraw/zinc/25/23/27/458252327.db2.gz LIJXTHYDDXEMET-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004364 458252330 /nfs/dbraw/zinc/25/23/30/458252330.db2.gz LIJXTHYDDXEMET-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000447357577 458288770 /nfs/dbraw/zinc/28/87/70/458288770.db2.gz IVDIFLZAWVUZCC-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000447357577 458288775 /nfs/dbraw/zinc/28/87/75/458288775.db2.gz IVDIFLZAWVUZCC-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000459667885 458441668 /nfs/dbraw/zinc/44/16/68/458441668.db2.gz SRROWZJJIJLPIG-AWEZNQCLSA-N 2 2 338.224 3.141 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273258 458522918 /nfs/dbraw/zinc/52/29/18/458522918.db2.gz VNKNMABJPJXLLU-CZUORRHYSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273258 458522920 /nfs/dbraw/zinc/52/29/20/458522920.db2.gz VNKNMABJPJXLLU-CZUORRHYSA-N 2 2 340.920 3.313 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355065 458560165 /nfs/dbraw/zinc/56/01/65/458560165.db2.gz YFNWEUHCDHCJAV-ICSRJNTNSA-N 2 2 344.499 3.089 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355065 458560170 /nfs/dbraw/zinc/56/01/70/458560170.db2.gz YFNWEUHCDHCJAV-ICSRJNTNSA-N 2 2 344.499 3.089 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000424137625 458568157 /nfs/dbraw/zinc/56/81/57/458568157.db2.gz BCIOHLDUFFQUHB-UHFFFAOYSA-N 2 2 342.487 3.280 10 0 EGAELP CC(C)C[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(=O)Nc1nccs1 ZINC000424155326 458572909 /nfs/dbraw/zinc/57/29/09/458572909.db2.gz KUEDUJXVAJXWTJ-CQSZACIVSA-N 2 2 335.477 3.064 10 0 EGAELP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502272548 458644097 /nfs/dbraw/zinc/64/40/97/458644097.db2.gz ZAQANWOZNUKZLI-NRSPTQNISA-N 2 2 327.516 3.367 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)Cc1ccccc1 ZINC000462784008 458652832 /nfs/dbraw/zinc/65/28/32/458652832.db2.gz ZRSVRBBIURGWMV-MHTWAQMVSA-N 2 2 330.516 3.344 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233326 458687370 /nfs/dbraw/zinc/68/73/70/458687370.db2.gz IWEHCHVVYYTSLO-BJLQDIEVSA-N 2 2 345.531 3.143 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233326 458687376 /nfs/dbraw/zinc/68/73/76/458687376.db2.gz IWEHCHVVYYTSLO-BJLQDIEVSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233326 458687384 /nfs/dbraw/zinc/68/73/84/458687384.db2.gz IWEHCHVVYYTSLO-BJLQDIEVSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000471233326 458687388 /nfs/dbraw/zinc/68/73/88/458687388.db2.gz IWEHCHVVYYTSLO-BJLQDIEVSA-N 2 2 345.531 3.143 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000471246581 458688800 /nfs/dbraw/zinc/68/88/00/458688800.db2.gz ZNRJCFPXPZNRLW-FUHIMQAGSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000471246581 458688810 /nfs/dbraw/zinc/68/88/10/458688810.db2.gz ZNRJCFPXPZNRLW-FUHIMQAGSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471246581 458688814 /nfs/dbraw/zinc/68/88/14/458688814.db2.gz ZNRJCFPXPZNRLW-FUHIMQAGSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471246581 458688821 /nfs/dbraw/zinc/68/88/21/458688821.db2.gz ZNRJCFPXPZNRLW-FUHIMQAGSA-N 2 2 345.531 3.088 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000530221039 458721451 /nfs/dbraw/zinc/72/14/51/458721451.db2.gz WCGSJBZRVVEJRM-UFGOTCBOSA-N 2 2 345.231 3.287 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000530221039 458721456 /nfs/dbraw/zinc/72/14/56/458721456.db2.gz WCGSJBZRVVEJRM-UFGOTCBOSA-N 2 2 345.231 3.287 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)c2cc1C ZINC000530236453 458726396 /nfs/dbraw/zinc/72/63/96/458726396.db2.gz SLIIWFIGUMJPBH-XMTFNYHQSA-N 2 2 327.472 3.040 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000494926066 458767123 /nfs/dbraw/zinc/76/71/23/458767123.db2.gz WCQIEVHBKZZSSF-DYXWJJEUSA-N 2 2 329.532 3.219 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000474938854 458908876 /nfs/dbraw/zinc/90/88/76/458908876.db2.gz AEOJPFJTPUUOTP-IAGOWNOFSA-N 2 2 332.488 3.437 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000474938854 458908880 /nfs/dbraw/zinc/90/88/80/458908880.db2.gz AEOJPFJTPUUOTP-IAGOWNOFSA-N 2 2 332.488 3.437 10 0 EGAELP C[NH+](C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(Cl)c1 ZINC000531434848 458917605 /nfs/dbraw/zinc/91/76/05/458917605.db2.gz AAPURMKLCYFQHF-QGZVFWFLSA-N 2 2 346.862 3.072 10 0 EGAELP C[NH+](C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000531434848 458917610 /nfs/dbraw/zinc/91/76/10/458917610.db2.gz AAPURMKLCYFQHF-QGZVFWFLSA-N 2 2 346.862 3.072 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161533 459185745 /nfs/dbraw/zinc/18/57/45/459185745.db2.gz RYAUGVPTRPJUNQ-CTNGQTDRSA-N 3 2 329.532 3.363 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161533 459185750 /nfs/dbraw/zinc/18/57/50/459185750.db2.gz RYAUGVPTRPJUNQ-CTNGQTDRSA-N 3 2 329.532 3.363 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC000522735779 459260228 /nfs/dbraw/zinc/26/02/28/459260228.db2.gz PAOXNMPCDYENGG-QGZVFWFLSA-N 2 2 348.487 3.319 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC000522735779 459260235 /nfs/dbraw/zinc/26/02/35/459260235.db2.gz PAOXNMPCDYENGG-QGZVFWFLSA-N 2 2 348.487 3.319 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000559745063 459275168 /nfs/dbraw/zinc/27/51/68/459275168.db2.gz IXBHHVLRYWWHSJ-SNVBAGLBSA-N 2 2 330.379 3.193 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000559745063 459275175 /nfs/dbraw/zinc/27/51/75/459275175.db2.gz IXBHHVLRYWWHSJ-SNVBAGLBSA-N 2 2 330.379 3.193 10 0 EGAELP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081890 459309990 /nfs/dbraw/zinc/30/99/90/459309990.db2.gz BCUOXEKBCKMMFU-STQMWFEESA-N 2 2 329.429 3.393 10 0 EGAELP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081890 459309993 /nfs/dbraw/zinc/30/99/93/459309993.db2.gz BCUOXEKBCKMMFU-STQMWFEESA-N 2 2 329.429 3.393 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561047267 459414533 /nfs/dbraw/zinc/41/45/33/459414533.db2.gz YFKWVZZDUAUARN-BIMQEMHKSA-N 2 2 339.886 3.154 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561047267 459414535 /nfs/dbraw/zinc/41/45/35/459414535.db2.gz YFKWVZZDUAUARN-BIMQEMHKSA-N 2 2 339.886 3.154 10 0 EGAELP c1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)co1 ZINC000591808707 459441067 /nfs/dbraw/zinc/44/10/67/459441067.db2.gz ITEBTNKJTGADNA-UHFFFAOYSA-N 2 2 344.459 3.418 10 0 EGAELP OCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582904120 459449149 /nfs/dbraw/zinc/44/91/49/459449149.db2.gz BSTOPWMXUSYQPL-OALUTQOASA-N 2 2 340.467 3.490 10 0 EGAELP CCOC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000542005676 459518968 /nfs/dbraw/zinc/51/89/68/459518968.db2.gz DWGGFEDYILKUHI-IBGZPJMESA-N 2 2 332.488 3.350 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000569919614 459531222 /nfs/dbraw/zinc/53/12/22/459531222.db2.gz GJKKWTWMZYGUKP-KQEPKPNTSA-N 2 2 339.483 3.265 10 0 EGAELP CCc1[nH+]c2ccccc2c(N2CCN(Cc3[nH+]ccn3C)CC2)c1C ZINC000569954526 459537507 /nfs/dbraw/zinc/53/75/07/459537507.db2.gz ZRQWGDIFKQZDFL-UHFFFAOYSA-N 2 2 349.482 3.161 10 0 EGAELP CCc1[nH+]c2ccccc2c(N2CC[NH+](Cc3nccn3C)CC2)c1C ZINC000569954526 459537514 /nfs/dbraw/zinc/53/75/14/459537514.db2.gz ZRQWGDIFKQZDFL-UHFFFAOYSA-N 2 2 349.482 3.161 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934681 459620926 /nfs/dbraw/zinc/62/09/26/459620926.db2.gz QONMZMLUKKVENP-SFHVURJKSA-N 2 2 338.879 3.323 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934681 459620932 /nfs/dbraw/zinc/62/09/32/459620932.db2.gz QONMZMLUKKVENP-SFHVURJKSA-N 2 2 338.879 3.323 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543632459 459678164 /nfs/dbraw/zinc/67/81/64/459678164.db2.gz URQPSFTYUGPIMW-PHWHVTFISA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543632459 459678168 /nfs/dbraw/zinc/67/81/68/459678168.db2.gz URQPSFTYUGPIMW-PHWHVTFISA-N 2 2 349.469 3.080 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669798 459691809 /nfs/dbraw/zinc/69/18/09/459691809.db2.gz ZCJMTXHDQHFPCB-MWLCHTKSSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@H+]1C ZINC000527669798 459691811 /nfs/dbraw/zinc/69/18/11/459691811.db2.gz ZCJMTXHDQHFPCB-MWLCHTKSSA-N 2 2 333.220 3.300 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527805776 459742744 /nfs/dbraw/zinc/74/27/44/459742744.db2.gz HYGNNMYTTYTLGD-GOSISDBHSA-N 2 2 328.435 3.322 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527805776 459742749 /nfs/dbraw/zinc/74/27/49/459742749.db2.gz HYGNNMYTTYTLGD-GOSISDBHSA-N 2 2 328.435 3.322 10 0 EGAELP Cn1c[nH+]cc1CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527806414 459743169 /nfs/dbraw/zinc/74/31/69/459743169.db2.gz DQBIUZRFGISBSS-OAHLLOKOSA-N 2 2 327.259 3.119 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527810055 459745658 /nfs/dbraw/zinc/74/56/58/459745658.db2.gz UGJMQKAELJQERQ-PZJWPPBQSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810055 459745663 /nfs/dbraw/zinc/74/56/63/459745663.db2.gz UGJMQKAELJQERQ-PZJWPPBQSA-N 2 2 344.499 3.351 10 0 EGAELP Cn1cc[nH+]c1CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527810126 459746319 /nfs/dbraw/zinc/74/63/19/459746319.db2.gz OFIIENXSUZVAMT-AWEZNQCLSA-N 2 2 327.259 3.119 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007063 459795032 /nfs/dbraw/zinc/79/50/32/459795032.db2.gz BEOIICFLJWYLNE-DYESRHJHSA-N 2 2 343.515 3.191 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007063 459795040 /nfs/dbraw/zinc/79/50/40/459795040.db2.gz BEOIICFLJWYLNE-DYESRHJHSA-N 2 2 343.515 3.191 10 0 EGAELP C[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117767 459826236 /nfs/dbraw/zinc/82/62/36/459826236.db2.gz WCBFYPYQNPQAJT-CJNGLKHVSA-N 2 2 335.398 3.024 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242879 459828298 /nfs/dbraw/zinc/82/82/98/459828298.db2.gz NIFFUJABGMYMBB-IBGZPJMESA-N 2 2 344.480 3.263 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242879 459828302 /nfs/dbraw/zinc/82/83/02/459828302.db2.gz NIFFUJABGMYMBB-IBGZPJMESA-N 2 2 344.480 3.263 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942712 459877245 /nfs/dbraw/zinc/87/72/45/459877245.db2.gz ATTASNHJWWSGAU-YWZLYKJASA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942712 459877249 /nfs/dbraw/zinc/87/72/49/459877249.db2.gz ATTASNHJWWSGAU-YWZLYKJASA-N 2 2 328.431 3.444 10 0 EGAELP CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000621942181 460127459 /nfs/dbraw/zinc/12/74/59/460127459.db2.gz NQERDSAFAGFYLL-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000621942181 460127467 /nfs/dbraw/zinc/12/74/67/460127467.db2.gz NQERDSAFAGFYLL-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP C[N@H+](Cc1cc(CO)ccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000625462927 460181908 /nfs/dbraw/zinc/18/19/08/460181908.db2.gz CJNGRGXHAIDOFW-UHFFFAOYSA-N 2 2 348.384 3.167 10 0 EGAELP C[N@@H+](Cc1cc(CO)ccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000625462927 460181911 /nfs/dbraw/zinc/18/19/11/460181911.db2.gz CJNGRGXHAIDOFW-UHFFFAOYSA-N 2 2 348.384 3.167 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603884122 460354609 /nfs/dbraw/zinc/35/46/09/460354609.db2.gz RJLHUCNNSGOJLQ-UHFFFAOYSA-N 2 2 334.423 3.185 10 0 EGAELP c1cn(-c2cc(NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)ncn2)c[nH+]1 ZINC000607144104 460796394 /nfs/dbraw/zinc/79/63/94/460796394.db2.gz GKQZRSYGBAEOBU-SFHVURJKSA-N 2 2 348.454 3.129 10 0 EGAELP c1cn(-c2cc(NC[C@@H]3CCCC[N@H+]3Cc3ccccc3)ncn2)c[nH+]1 ZINC000607144104 460796399 /nfs/dbraw/zinc/79/63/99/460796399.db2.gz GKQZRSYGBAEOBU-SFHVURJKSA-N 2 2 348.454 3.129 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000629547519 460803811 /nfs/dbraw/zinc/80/38/11/460803811.db2.gz IMQPMNIXCHQWFB-ZLKJLUDKSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000629585028 460815181 /nfs/dbraw/zinc/81/51/81/460815181.db2.gz YFTIIEPNAARYHF-IYBDPMFKSA-N 2 2 329.271 3.304 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000629585028 460815185 /nfs/dbraw/zinc/81/51/85/460815185.db2.gz YFTIIEPNAARYHF-IYBDPMFKSA-N 2 2 329.271 3.304 10 0 EGAELP CC[C@@H]1CN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@H](C)[NH2+]1 ZINC000620903444 460820786 /nfs/dbraw/zinc/82/07/86/460820786.db2.gz RPIJYYXLARZXSY-DOTOQJQBSA-N 2 2 339.439 3.395 10 0 EGAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[NH2+]1 ZINC000620903424 460821093 /nfs/dbraw/zinc/82/10/93/460821093.db2.gz QZORXWBSIGFHNL-GOEBONIOSA-N 2 2 325.412 3.086 10 0 EGAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189570 460902488 /nfs/dbraw/zinc/90/24/88/460902488.db2.gz SHQSFIHBNULTDO-DOTOQJQBSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189570 460902493 /nfs/dbraw/zinc/90/24/93/460902493.db2.gz SHQSFIHBNULTDO-DOTOQJQBSA-N 2 2 345.487 3.019 10 0 EGAELP C[N@@H+](Cc1cc2n(n1)CCCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545822 461164993 /nfs/dbraw/zinc/16/49/93/461164993.db2.gz UWVWBNKFDUOJCE-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP C[N@H+](Cc1cc2n(n1)CCCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545822 461165002 /nfs/dbraw/zinc/16/50/02/461165002.db2.gz UWVWBNKFDUOJCE-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP C[NH+](Cc1cc2n(n1)CCCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545822 461165007 /nfs/dbraw/zinc/16/50/07/461165007.db2.gz UWVWBNKFDUOJCE-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP C[NH+](Cc1cc2n(n1)CCCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545822 461165015 /nfs/dbraw/zinc/16/50/15/461165015.db2.gz UWVWBNKFDUOJCE-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000662318794 461189645 /nfs/dbraw/zinc/18/96/45/461189645.db2.gz GSNRWUAKPFFHTJ-INIZCTEOSA-N 2 2 330.394 3.248 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000662318794 461189651 /nfs/dbraw/zinc/18/96/51/461189651.db2.gz GSNRWUAKPFFHTJ-INIZCTEOSA-N 2 2 330.394 3.248 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000668432646 461279812 /nfs/dbraw/zinc/27/98/12/461279812.db2.gz WASHMHHBYHZJCB-SJLPKXTDSA-N 2 2 334.504 3.105 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000668432646 461279821 /nfs/dbraw/zinc/27/98/21/461279821.db2.gz WASHMHHBYHZJCB-SJLPKXTDSA-N 2 2 334.504 3.105 10 0 EGAELP c1cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668627883 461359327 /nfs/dbraw/zinc/35/93/27/461359327.db2.gz NFCYWXDNEQPUFL-LJQANCHMSA-N 2 2 326.444 3.048 10 0 EGAELP Cc1c2cc(F)ccc2oc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701423 461373406 /nfs/dbraw/zinc/37/34/06/461373406.db2.gz WLQPYXKVXGTRHZ-INIZCTEOSA-N 2 2 332.419 3.223 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]Cc3nsc4ccccc34)CC2)nc1 ZINC000641791869 461375350 /nfs/dbraw/zinc/37/53/50/461375350.db2.gz KHVMVWIKJHPIAX-UHFFFAOYSA-N 2 2 338.480 3.446 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000665975118 461384399 /nfs/dbraw/zinc/38/43/99/461384399.db2.gz FGSDGHMDAJXZQZ-INIZCTEOSA-N 2 2 341.459 3.081 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cscc2C(F)(F)F)CCO1 ZINC000668785447 461434516 /nfs/dbraw/zinc/43/45/16/461434516.db2.gz QIGLYMCYSNGBIN-CYBMUJFWSA-N 2 2 336.423 3.310 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cscc2C(F)(F)F)CCO1 ZINC000668785447 461434519 /nfs/dbraw/zinc/43/45/19/461434519.db2.gz QIGLYMCYSNGBIN-CYBMUJFWSA-N 2 2 336.423 3.310 10 0 EGAELP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000655777398 461440014 /nfs/dbraw/zinc/44/00/14/461440014.db2.gz UJQUGWHRRIYPIM-AWEZNQCLSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000655777398 461440020 /nfs/dbraw/zinc/44/00/20/461440020.db2.gz UJQUGWHRRIYPIM-AWEZNQCLSA-N 2 2 341.846 3.204 10 0 EGAELP [NH3+]CC1(CCNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000653221509 461570322 /nfs/dbraw/zinc/57/03/22/461570322.db2.gz ZSHPFONMNUGNEU-UHFFFAOYSA-N 2 2 345.830 3.386 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cn21 ZINC000647263091 461600001 /nfs/dbraw/zinc/60/00/01/461600001.db2.gz GIIUQXFFPTXCLH-RCCFBDPRSA-N 2 2 327.472 3.370 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000656139854 461618112 /nfs/dbraw/zinc/61/81/12/461618112.db2.gz IYPWFEKMRGDBNR-YOEHRIQHSA-N 2 2 326.444 3.259 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000656139854 461618116 /nfs/dbraw/zinc/61/81/16/461618116.db2.gz IYPWFEKMRGDBNR-YOEHRIQHSA-N 2 2 326.444 3.259 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302052 461623934 /nfs/dbraw/zinc/62/39/34/461623934.db2.gz QTKIZJDONSGWLP-IEBWSBKVSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302052 461623939 /nfs/dbraw/zinc/62/39/39/461623939.db2.gz QTKIZJDONSGWLP-IEBWSBKVSA-N 2 2 338.499 3.392 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CC3([C@@H]4CCCCO4)CCC3)CC2)nc1 ZINC000631245465 461671591 /nfs/dbraw/zinc/67/15/91/461671591.db2.gz MJYDZOZHLUGQMD-FQEVSTJZSA-N 2 2 343.515 3.375 10 0 EGAELP FC(F)(F)c1cc(Br)ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499198 461673233 /nfs/dbraw/zinc/67/32/33/461673233.db2.gz CEVPUXCQEFSEKE-UHFFFAOYSA-N 2 2 349.194 3.310 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481050 461729190 /nfs/dbraw/zinc/72/91/90/461729190.db2.gz YDLDMECSOKKNIX-HOCLYGCPSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481050 461729199 /nfs/dbraw/zinc/72/91/99/461729199.db2.gz YDLDMECSOKKNIX-HOCLYGCPSA-N 2 2 338.879 3.321 10 0 EGAELP C[C@]1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1(F)F ZINC000656473596 461757674 /nfs/dbraw/zinc/75/76/74/461757674.db2.gz PSNFLHZFZBXZSA-HNNXBMFYSA-N 2 2 330.342 3.058 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000656702691 461848226 /nfs/dbraw/zinc/84/82/26/461848226.db2.gz RKZXTPRUULLZQJ-HUUCEWRRSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000656702691 461848235 /nfs/dbraw/zinc/84/82/35/461848235.db2.gz RKZXTPRUULLZQJ-HUUCEWRRSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702303 461848448 /nfs/dbraw/zinc/84/84/48/461848448.db2.gz OIYMMBQXJWULSE-DLBZAZTESA-N 2 2 334.504 3.012 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702303 461848457 /nfs/dbraw/zinc/84/84/57/461848457.db2.gz OIYMMBQXJWULSE-DLBZAZTESA-N 2 2 334.504 3.012 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902004 461876558 /nfs/dbraw/zinc/87/65/58/461876558.db2.gz YNAGRNXZXHRUAW-RDBSUJKOSA-N 2 2 332.473 3.323 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902004 461876565 /nfs/dbraw/zinc/87/65/65/461876565.db2.gz YNAGRNXZXHRUAW-RDBSUJKOSA-N 2 2 332.473 3.323 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900422 461877105 /nfs/dbraw/zinc/87/71/05/461877105.db2.gz AYBTYIGVTKUKNO-ROUUACIJSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900422 461877107 /nfs/dbraw/zinc/87/71/07/461877107.db2.gz AYBTYIGVTKUKNO-ROUUACIJSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902812 461878163 /nfs/dbraw/zinc/87/81/63/461878163.db2.gz CGTYSADFXSYRFE-JQHSSLGASA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902812 461878165 /nfs/dbraw/zinc/87/81/65/461878165.db2.gz CGTYSADFXSYRFE-JQHSSLGASA-N 2 2 329.488 3.040 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000650705093 461897755 /nfs/dbraw/zinc/89/77/55/461897755.db2.gz SZVYOVCQITYHFP-UHFFFAOYSA-N 2 2 333.863 3.089 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643403 461900047 /nfs/dbraw/zinc/90/00/47/461900047.db2.gz ZCRIWPNKTSABJL-KRWDZBQOSA-N 2 2 328.378 3.345 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643403 461900052 /nfs/dbraw/zinc/90/00/52/461900052.db2.gz ZCRIWPNKTSABJL-KRWDZBQOSA-N 2 2 328.378 3.345 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643403 461900055 /nfs/dbraw/zinc/90/00/55/461900055.db2.gz ZCRIWPNKTSABJL-KRWDZBQOSA-N 2 2 328.378 3.345 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000660643403 461900063 /nfs/dbraw/zinc/90/00/63/461900063.db2.gz ZCRIWPNKTSABJL-KRWDZBQOSA-N 2 2 328.378 3.345 10 0 EGAELP CC(C)Cn1nccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031559 461950349 /nfs/dbraw/zinc/95/03/49/461950349.db2.gz VXVXILLSPJXERP-QGZVFWFLSA-N 2 2 341.503 3.452 10 0 EGAELP CC(C)Cn1nccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031559 461950358 /nfs/dbraw/zinc/95/03/58/461950358.db2.gz VXVXILLSPJXERP-QGZVFWFLSA-N 2 2 341.503 3.452 10 0 EGAELP CC[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CO1 ZINC000657369869 462078369 /nfs/dbraw/zinc/07/83/69/462078369.db2.gz HTNBZNFGQWXBON-QXAKKESOSA-N 2 2 332.488 3.044 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000657432602 462119601 /nfs/dbraw/zinc/11/96/01/462119601.db2.gz HYVQGOABGLQZGJ-HSALFYBXSA-N 2 2 338.499 3.464 10 0 EGAELP CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000657432602 462119609 /nfs/dbraw/zinc/11/96/09/462119609.db2.gz HYVQGOABGLQZGJ-HSALFYBXSA-N 2 2 338.499 3.464 10 0 EGAELP C[NH+](C)CCC1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667543683 462136131 /nfs/dbraw/zinc/13/61/31/462136131.db2.gz IIVZZOUGCVBBIK-UHFFFAOYSA-N 2 2 344.272 3.147 10 0 EGAELP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657526263 462168107 /nfs/dbraw/zinc/16/81/07/462168107.db2.gz FFTHKXVYBUOSGR-HXUWFJFHSA-N 2 2 329.532 3.156 10 0 EGAELP CC[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000648562709 462175581 /nfs/dbraw/zinc/17/55/81/462175581.db2.gz FRFAWDKOWJGHEH-PRLABOORSA-N 2 2 334.426 3.339 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667673174 462206066 /nfs/dbraw/zinc/20/60/66/462206066.db2.gz UJERTPPJDMPKQG-SFHVURJKSA-N 2 2 333.439 3.344 10 0 EGAELP c1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667673174 462206071 /nfs/dbraw/zinc/20/60/71/462206071.db2.gz UJERTPPJDMPKQG-SFHVURJKSA-N 2 2 333.439 3.344 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H](O)C(F)F ZINC000651398746 462213324 /nfs/dbraw/zinc/21/33/24/462213324.db2.gz LZPKWZCZBBSAHC-PMPSAXMXSA-N 2 2 326.431 3.034 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H](O)C(F)F ZINC000651398746 462213329 /nfs/dbraw/zinc/21/33/29/462213329.db2.gz LZPKWZCZBBSAHC-PMPSAXMXSA-N 2 2 326.431 3.034 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1nccn1C ZINC000657794253 462268967 /nfs/dbraw/zinc/26/89/67/462268967.db2.gz VMWKDFHJCLIKAV-CQSZACIVSA-N 2 2 332.879 3.389 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053499 462358466 /nfs/dbraw/zinc/35/84/66/462358466.db2.gz BJSZOWCNVKCAAU-WMZOPIPTSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053499 462358470 /nfs/dbraw/zinc/35/84/70/462358470.db2.gz BJSZOWCNVKCAAU-WMZOPIPTSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057639 462361081 /nfs/dbraw/zinc/36/10/81/462361081.db2.gz PMPVEHHDXYWGGM-APWZRJJASA-N 2 2 326.488 3.455 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cnn(Cc2ccccc2)c1 ZINC000658057639 462361088 /nfs/dbraw/zinc/36/10/88/462361088.db2.gz PMPVEHHDXYWGGM-APWZRJJASA-N 2 2 326.488 3.455 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665232253 462362118 /nfs/dbraw/zinc/36/21/18/462362118.db2.gz JITIJGKSXZXKDJ-YSSFQJQWSA-N 2 2 325.456 3.277 10 0 EGAELP FCC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690873 462368045 /nfs/dbraw/zinc/36/80/45/462368045.db2.gz WFHISXSLJOJZFI-UXHICEINSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661690873 462368049 /nfs/dbraw/zinc/36/80/49/462368049.db2.gz WFHISXSLJOJZFI-UXHICEINSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690873 462368056 /nfs/dbraw/zinc/36/80/56/462368056.db2.gz WFHISXSLJOJZFI-UXHICEINSA-N 2 2 334.479 3.349 10 0 EGAELP FCC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661690873 462368061 /nfs/dbraw/zinc/36/80/61/462368061.db2.gz WFHISXSLJOJZFI-UXHICEINSA-N 2 2 334.479 3.349 10 0 EGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000665250419 462368522 /nfs/dbraw/zinc/36/85/22/462368522.db2.gz QGQSXPXCOMWINU-ATZDWAIDSA-N 2 2 338.451 3.254 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277342 462381436 /nfs/dbraw/zinc/38/14/36/462381436.db2.gz ZHHUWMQJGAIVRC-RLLQIKCJSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277342 462381440 /nfs/dbraw/zinc/38/14/40/462381440.db2.gz ZHHUWMQJGAIVRC-RLLQIKCJSA-N 3 2 327.516 3.019 10 0 EGAELP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)cc(Br)c1 ZINC000665279013 462381832 /nfs/dbraw/zinc/38/18/32/462381832.db2.gz UQAJHBWIRMDUHY-CIQACWJJSA-N 2 2 327.241 3.381 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658294828 462461941 /nfs/dbraw/zinc/46/19/41/462461941.db2.gz PPCBBXNTDZKTFS-HKUYNNGSSA-N 2 2 330.472 3.052 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000652222031 462477883 /nfs/dbraw/zinc/47/78/83/462477883.db2.gz CYZAYVPZJMJFSL-ZDUSSCGKSA-N 2 2 328.298 3.473 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000652222031 462477887 /nfs/dbraw/zinc/47/78/87/462477887.db2.gz CYZAYVPZJMJFSL-ZDUSSCGKSA-N 2 2 328.298 3.473 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345308 462483912 /nfs/dbraw/zinc/48/39/12/462483912.db2.gz XXWBKTPIXXPKAW-AEFFLSMTSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345308 462483916 /nfs/dbraw/zinc/48/39/16/462483916.db2.gz XXWBKTPIXXPKAW-AEFFLSMTSA-N 2 2 329.513 3.215 10 0 EGAELP Cc1ccc2c(c1Br)C[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000662193700 462536198 /nfs/dbraw/zinc/53/61/98/462536198.db2.gz XAMVOZXCTKXZGG-UHFFFAOYSA-N 2 2 334.261 3.439 10 0 EGAELP Cc1ccc2c(c1Br)C[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000662193700 462536199 /nfs/dbraw/zinc/53/61/99/462536199.db2.gz XAMVOZXCTKXZGG-UHFFFAOYSA-N 2 2 334.261 3.439 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000178286995 534779994 /nfs/dbraw/zinc/77/99/94/534779994.db2.gz VSYYVMJKWAKLPB-INIZCTEOSA-N 2 2 341.390 3.045 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000178286995 534780010 /nfs/dbraw/zinc/78/00/10/534780010.db2.gz VSYYVMJKWAKLPB-INIZCTEOSA-N 2 2 341.390 3.045 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768182 546685985 /nfs/dbraw/zinc/68/59/85/546685985.db2.gz LOTCBVUJMPVBGH-IBGZPJMESA-N 2 2 346.496 3.262 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768182 546685989 /nfs/dbraw/zinc/68/59/89/546685989.db2.gz LOTCBVUJMPVBGH-IBGZPJMESA-N 2 2 346.496 3.262 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Br ZINC000122341492 546732796 /nfs/dbraw/zinc/73/27/96/546732796.db2.gz BBHPJMFWAWPFFA-CYBMUJFWSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Br ZINC000122341492 546732797 /nfs/dbraw/zinc/73/27/97/546732797.db2.gz BBHPJMFWAWPFFA-CYBMUJFWSA-N 2 2 338.224 3.449 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1F ZINC000192976981 547209034 /nfs/dbraw/zinc/20/90/34/547209034.db2.gz CXVUVSAXWXLBMU-KRWDZBQOSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1F ZINC000192976981 547209040 /nfs/dbraw/zinc/20/90/40/547209040.db2.gz CXVUVSAXWXLBMU-KRWDZBQOSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1F ZINC000192976981 547209044 /nfs/dbraw/zinc/20/90/44/547209044.db2.gz CXVUVSAXWXLBMU-KRWDZBQOSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1F ZINC000192976981 547209047 /nfs/dbraw/zinc/20/90/47/547209047.db2.gz CXVUVSAXWXLBMU-KRWDZBQOSA-N 2 2 343.446 3.183 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714033 548603066 /nfs/dbraw/zinc/60/30/66/548603066.db2.gz AIIKKCHBWRRKSF-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714033 548603069 /nfs/dbraw/zinc/60/30/69/548603069.db2.gz AIIKKCHBWRRKSF-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714033 548603072 /nfs/dbraw/zinc/60/30/72/548603072.db2.gz AIIKKCHBWRRKSF-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714033 548603074 /nfs/dbraw/zinc/60/30/74/548603074.db2.gz AIIKKCHBWRRKSF-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674372978 548741138 /nfs/dbraw/zinc/74/11/38/548741138.db2.gz OJQQECMIILQZCT-NSHDSACASA-N 2 2 329.429 3.462 10 0 EGAELP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921549 549005048 /nfs/dbraw/zinc/00/50/48/549005048.db2.gz YRISKKWZEPEUFP-VQIMIIECSA-N 3 2 326.488 3.024 10 0 EGAELP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921546 549005216 /nfs/dbraw/zinc/00/52/16/549005216.db2.gz YRISKKWZEPEUFP-APWZRJJASA-N 3 2 326.488 3.024 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632815 549119625 /nfs/dbraw/zinc/11/96/25/549119625.db2.gz UHJSRGZPMZHUGJ-NHCUHLMSSA-N 2 2 340.467 3.022 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632815 549119627 /nfs/dbraw/zinc/11/96/27/549119627.db2.gz UHJSRGZPMZHUGJ-NHCUHLMSSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632815 549119632 /nfs/dbraw/zinc/11/96/32/549119632.db2.gz UHJSRGZPMZHUGJ-NHCUHLMSSA-N 2 2 340.467 3.022 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676632815 549119635 /nfs/dbraw/zinc/11/96/35/549119635.db2.gz UHJSRGZPMZHUGJ-NHCUHLMSSA-N 2 2 340.467 3.022 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000678791061 549561692 /nfs/dbraw/zinc/56/16/92/549561692.db2.gz LQZFFGDXMODRRM-KRWDZBQOSA-N 2 2 348.437 3.282 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000678791061 549561697 /nfs/dbraw/zinc/56/16/97/549561697.db2.gz LQZFFGDXMODRRM-KRWDZBQOSA-N 2 2 348.437 3.282 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnc3ccccn23)CCC[N@@H+]1Cc1ccccc1 ZINC000681698800 550027779 /nfs/dbraw/zinc/02/77/79/550027779.db2.gz JLBOCNRNIVFSLL-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnc3ccccn23)CCC[N@H+]1Cc1ccccc1 ZINC000681698800 550027780 /nfs/dbraw/zinc/02/77/80/550027780.db2.gz JLBOCNRNIVFSLL-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP CCN(C)c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000682941612 550166962 /nfs/dbraw/zinc/16/69/62/550166962.db2.gz MTIAJVYSQIPMRG-LJQANCHMSA-N 2 2 349.482 3.345 10 0 EGAELP Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000683473550 550232857 /nfs/dbraw/zinc/23/28/57/550232857.db2.gz MEFFHBLDYHTETM-OAHLLOKOSA-N 2 2 325.437 3.287 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000683930262 550274964 /nfs/dbraw/zinc/27/49/64/550274964.db2.gz YHRYAVNHFAQZPQ-GOSISDBHSA-N 2 2 347.422 3.477 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000684411907 550326768 /nfs/dbraw/zinc/32/67/68/550326768.db2.gz BELHOYXBKRGNKR-LBDPXKHJSA-N 2 2 334.426 3.339 10 0 EGAELP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000685629672 550434448 /nfs/dbraw/zinc/43/44/48/550434448.db2.gz ITUPKZFYFLOSSJ-ZFWWWQNUSA-N 2 2 329.444 3.243 10 0 EGAELP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000685629672 550434450 /nfs/dbraw/zinc/43/44/50/550434450.db2.gz ITUPKZFYFLOSSJ-ZFWWWQNUSA-N 2 2 329.444 3.243 10 0 EGAELP COc1ccc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000685629775 550434480 /nfs/dbraw/zinc/43/44/80/550434480.db2.gz UUGBOOHLUXHFQR-ZDUSSCGKSA-N 2 2 340.452 3.189 10 0 EGAELP COc1ccc(-c2nc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cs2)cc1 ZINC000685629775 550434481 /nfs/dbraw/zinc/43/44/81/550434481.db2.gz UUGBOOHLUXHFQR-ZDUSSCGKSA-N 2 2 340.452 3.189 10 0 EGAELP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629786 550434585 /nfs/dbraw/zinc/43/45/85/550434585.db2.gz ZIFATZRJABDBKP-SECBINFHSA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685629786 550434587 /nfs/dbraw/zinc/43/45/87/550434587.db2.gz ZIFATZRJABDBKP-SECBINFHSA-N 2 2 327.762 3.312 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000741791545 576722116 /nfs/dbraw/zinc/72/21/16/576722116.db2.gz WVWLKPDJWZCLTD-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000741791545 576722117 /nfs/dbraw/zinc/72/21/17/576722117.db2.gz WVWLKPDJWZCLTD-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791545 576722120 /nfs/dbraw/zinc/72/21/20/576722120.db2.gz WVWLKPDJWZCLTD-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791545 576722122 /nfs/dbraw/zinc/72/21/22/576722122.db2.gz WVWLKPDJWZCLTD-KCXAZCMYSA-N 2 2 330.394 3.153 10 0 EGAELP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872039416 1296690475 /nfs/dbraw/zinc/69/04/75/1296690475.db2.gz SGQILOPQAXZSAU-CEXWTWQISA-N 2 2 327.472 3.499 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cc1 ZINC000872149579 1296768668 /nfs/dbraw/zinc/76/86/68/1296768668.db2.gz OSFQUSKRLPKAPG-ZFWWWQNUSA-N 2 2 339.361 3.219 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cc1 ZINC000872149579 1296768681 /nfs/dbraw/zinc/76/86/81/1296768681.db2.gz OSFQUSKRLPKAPG-ZFWWWQNUSA-N 2 2 339.361 3.219 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872152553 1296769894 /nfs/dbraw/zinc/76/98/94/1296769894.db2.gz SZKDKTMYPBWQHX-AAEUAGOBSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872152553 1296769905 /nfs/dbraw/zinc/76/99/05/1296769905.db2.gz SZKDKTMYPBWQHX-AAEUAGOBSA-N 2 2 343.780 3.457 10 0 EGAELP C[N@@H+](Cc1c(N)cccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383245042 1297568606 /nfs/dbraw/zinc/56/86/06/1297568606.db2.gz GPKBYKGIFAOGOT-KRWDZBQOSA-N 2 2 327.447 3.362 10 0 EGAELP C[N@H+](Cc1c(N)cccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383245042 1297568615 /nfs/dbraw/zinc/56/86/15/1297568615.db2.gz GPKBYKGIFAOGOT-KRWDZBQOSA-N 2 2 327.447 3.362 10 0 EGAELP C[NH+](Cc1c(N)cccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383245042 1297568619 /nfs/dbraw/zinc/56/86/19/1297568619.db2.gz GPKBYKGIFAOGOT-KRWDZBQOSA-N 2 2 327.447 3.362 10 0 EGAELP C[NH+](Cc1c(N)cccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383245042 1297568630 /nfs/dbraw/zinc/56/86/30/1297568630.db2.gz GPKBYKGIFAOGOT-KRWDZBQOSA-N 2 2 327.447 3.362 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000877056147 1299136645 /nfs/dbraw/zinc/13/66/45/1299136645.db2.gz ZQOAXYLLDMCCEA-DYVFJYSZSA-N 2 2 349.475 3.464 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000877056147 1299136648 /nfs/dbraw/zinc/13/66/48/1299136648.db2.gz ZQOAXYLLDMCCEA-DYVFJYSZSA-N 2 2 349.475 3.464 10 0 EGAELP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000886036171 1303328422 /nfs/dbraw/zinc/32/84/22/1303328422.db2.gz VKEUCWOUKNWQTQ-NQIIRXRSSA-N 2 2 327.516 3.457 10 0 EGAELP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000886036171 1303328428 /nfs/dbraw/zinc/32/84/28/1303328428.db2.gz VKEUCWOUKNWQTQ-NQIIRXRSSA-N 2 2 327.516 3.457 10 0 EGAELP Fc1cccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886554900 1303498802 /nfs/dbraw/zinc/49/88/02/1303498802.db2.gz GKWFMDWCBWMBGU-KSZLIROESA-N 2 2 325.431 3.363 10 0 EGAELP Fc1cccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886554900 1303498806 /nfs/dbraw/zinc/49/88/06/1303498806.db2.gz GKWFMDWCBWMBGU-KSZLIROESA-N 2 2 325.431 3.363 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3nccn3C3CC3)C2)c1 ZINC000892737636 1305529956 /nfs/dbraw/zinc/52/99/56/1305529956.db2.gz GRSHMGLHYRKAFA-OAHLLOKOSA-N 2 2 330.501 3.281 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3nccn3C3CC3)C2)c1 ZINC000892737636 1305529962 /nfs/dbraw/zinc/52/99/62/1305529962.db2.gz GRSHMGLHYRKAFA-OAHLLOKOSA-N 2 2 330.501 3.281 10 0 EGAELP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)[nH]c1C(C)C ZINC000893918791 1306130538 /nfs/dbraw/zinc/13/05/38/1306130538.db2.gz GHFFQILZZHRIAA-UHFFFAOYSA-N 2 2 335.492 3.229 10 0 EGAELP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)[nH]c1C(C)C ZINC000893918791 1306130544 /nfs/dbraw/zinc/13/05/44/1306130544.db2.gz GHFFQILZZHRIAA-UHFFFAOYSA-N 2 2 335.492 3.229 10 0 EGAELP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894156305 1306250091 /nfs/dbraw/zinc/25/00/91/1306250091.db2.gz FTPKJRFNJOBWCY-UHFFFAOYSA-N 2 2 347.484 3.061 10 0 EGAELP Cc1noc2ncc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc12 ZINC000894777087 1309065797 /nfs/dbraw/zinc/06/57/97/1309065797.db2.gz MMCMAXRJILBEJD-UHFFFAOYSA-N 2 2 339.443 3.420 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000894779895 1309067288 /nfs/dbraw/zinc/06/72/88/1309067288.db2.gz RLXDBBHRCQVRBM-CYBMUJFWSA-N 2 2 347.484 3.426 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000894779895 1309067299 /nfs/dbraw/zinc/06/72/99/1309067299.db2.gz RLXDBBHRCQVRBM-CYBMUJFWSA-N 2 2 347.484 3.426 10 0 EGAELP C[C@H](CC[NH2+]Cc1nc2ccc(Br)cc2s1)[NH+](C)C ZINC000895293705 1309273129 /nfs/dbraw/zinc/27/31/29/1309273129.db2.gz JPPUMYUTQUEWBB-SNVBAGLBSA-N 2 2 342.306 3.489 10 0 EGAELP C[C@@H]1C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000929794423 1328702832 /nfs/dbraw/zinc/70/28/32/1328702832.db2.gz HCGYRJULMYVKDO-BWTSREIZSA-N 2 2 345.531 3.224 10 0 EGAELP C[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000929794423 1328702836 /nfs/dbraw/zinc/70/28/36/1328702836.db2.gz HCGYRJULMYVKDO-BWTSREIZSA-N 2 2 345.531 3.224 10 0 EGAELP COc1ccc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1F ZINC000858258148 1328724517 /nfs/dbraw/zinc/72/45/17/1328724517.db2.gz WEULMWFRAJAODK-UHFFFAOYSA-N 2 2 337.464 3.377 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532630 1328789901 /nfs/dbraw/zinc/78/99/01/1328789901.db2.gz MAJRXPUOZYPSED-KXBFYZLASA-N 2 2 343.471 3.311 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000858532630 1328789904 /nfs/dbraw/zinc/78/99/04/1328789904.db2.gz MAJRXPUOZYPSED-KXBFYZLASA-N 2 2 343.471 3.311 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(Cl)n(C)n2)cc1 ZINC000859235902 1328952684 /nfs/dbraw/zinc/95/26/84/1328952684.db2.gz PYXGBVADZJUZFM-LBPRGKRZSA-N 2 2 329.835 3.418 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC000921588211 1322359431 /nfs/dbraw/zinc/35/94/31/1322359431.db2.gz GALLNELCWPGFHM-YESZJQIVSA-N 2 2 329.419 3.306 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn(CCF)c2)c(C)c1 ZINC000921920641 1322423676 /nfs/dbraw/zinc/42/36/76/1322423676.db2.gz RHSUVUHAICCHJM-LJQANCHMSA-N 2 2 341.434 3.197 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000922693388 1322593254 /nfs/dbraw/zinc/59/32/54/1322593254.db2.gz GUXKBQVVWGUVIB-JKSUJKDBSA-N 2 2 339.361 3.462 10 0 EGAELP C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923554741 1322776746 /nfs/dbraw/zinc/77/67/46/1322776746.db2.gz OUSCUMLQCBKUFZ-UHFFFAOYSA-N 2 2 340.452 3.076 10 0 EGAELP C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923554741 1322776750 /nfs/dbraw/zinc/77/67/50/1322776750.db2.gz OUSCUMLQCBKUFZ-UHFFFAOYSA-N 2 2 340.452 3.076 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924767418 1323151889 /nfs/dbraw/zinc/15/18/89/1323151889.db2.gz VQPSSOOZUSKMHB-UXHICEINSA-N 2 2 346.490 3.480 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924767418 1323151892 /nfs/dbraw/zinc/15/18/92/1323151892.db2.gz VQPSSOOZUSKMHB-UXHICEINSA-N 2 2 346.490 3.480 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000924805134 1323170569 /nfs/dbraw/zinc/17/05/69/1323170569.db2.gz USKXELABECIGSV-IXDOHACOSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000924805134 1323170573 /nfs/dbraw/zinc/17/05/73/1323170573.db2.gz USKXELABECIGSV-IXDOHACOSA-N 2 2 342.405 3.345 10 0 EGAELP COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC000931707847 1329167958 /nfs/dbraw/zinc/16/79/58/1329167958.db2.gz URAGAJUPULGNBJ-PMACEKPBSA-N 2 2 349.434 3.226 10 0 EGAELP C[C@@H]1CC2(CC([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)C2)CO1 ZINC000925181224 1325073582 /nfs/dbraw/zinc/07/35/82/1325073582.db2.gz VLQRHSLBGFCISC-SNXQWQLTSA-N 2 2 325.456 3.251 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000925184556 1325075184 /nfs/dbraw/zinc/07/51/84/1325075184.db2.gz RBOFBSLJRSIBST-VXGBXAGGSA-N 2 2 333.423 3.311 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000925184556 1325075193 /nfs/dbraw/zinc/07/51/93/1325075193.db2.gz RBOFBSLJRSIBST-VXGBXAGGSA-N 2 2 333.423 3.311 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925551487 1325205066 /nfs/dbraw/zinc/20/50/66/1325205066.db2.gz GFVBRFFOQIRQNR-KBMXLJTQSA-N 2 2 340.414 3.163 10 0 EGAELP c1coc(COCc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2)c1 ZINC000925607347 1325229870 /nfs/dbraw/zinc/22/98/70/1325229870.db2.gz VPYZTRKTHZOGJO-IBGZPJMESA-N 2 2 326.440 3.371 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCOC34CCCCC4)[nH+]c2)C1 ZINC000925937644 1325363707 /nfs/dbraw/zinc/36/37/07/1325363707.db2.gz SXFPXVUBCUSLPK-ROUUACIJSA-N 2 2 344.503 3.126 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926224042 1325480965 /nfs/dbraw/zinc/48/09/65/1325480965.db2.gz LDSLCJGDZWAZKZ-MSOLQXFVSA-N 2 2 349.519 3.160 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926224042 1325480972 /nfs/dbraw/zinc/48/09/72/1325480972.db2.gz LDSLCJGDZWAZKZ-MSOLQXFVSA-N 2 2 349.519 3.160 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)CO1 ZINC000926330976 1325518700 /nfs/dbraw/zinc/51/87/00/1325518700.db2.gz PNEJAMQHAWFYPW-NICGVCSZSA-N 2 2 346.437 3.339 10 0 EGAELP C[C@@H]1COC[C@@H](C)C1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000926861367 1327743951 /nfs/dbraw/zinc/74/39/51/1327743951.db2.gz YSJRLKBRGHOCLO-MDZRGWNJSA-N 2 2 329.488 3.054 10 0 EGAELP C[C@@H]1COC[C@@H](C)C1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000926861367 1327743959 /nfs/dbraw/zinc/74/39/59/1327743959.db2.gz YSJRLKBRGHOCLO-MDZRGWNJSA-N 2 2 329.488 3.054 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000926957401 1327796343 /nfs/dbraw/zinc/79/63/43/1327796343.db2.gz BEJSVAPQYQWWEC-CMPLNLGQSA-N 2 2 347.322 3.054 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCCCO1 ZINC000926961788 1327799535 /nfs/dbraw/zinc/79/95/35/1327799535.db2.gz YHPDWMMFSYSNIA-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCCCO1 ZINC000926961788 1327799540 /nfs/dbraw/zinc/79/95/40/1327799540.db2.gz YHPDWMMFSYSNIA-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC000865399540 1329691655 /nfs/dbraw/zinc/69/16/55/1329691655.db2.gz QJUQHEVUJFIOKV-MNLRITNHSA-N 2 2 345.531 3.354 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000865479691 1329703351 /nfs/dbraw/zinc/70/33/51/1329703351.db2.gz DEYFPDDNGNLUBD-UHFFFAOYSA-N 2 2 329.444 3.420 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866255687 1330086050 /nfs/dbraw/zinc/08/60/50/1330086050.db2.gz BZUQGQUWGKJSDV-PXNSSMCTSA-N 2 2 341.499 3.256 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866255687 1330086051 /nfs/dbraw/zinc/08/60/51/1330086051.db2.gz BZUQGQUWGKJSDV-PXNSSMCTSA-N 2 2 341.499 3.256 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000866709014 1330143316 /nfs/dbraw/zinc/14/33/16/1330143316.db2.gz UQFMOJMCEPCEGW-GOSISDBHSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000866709014 1330143318 /nfs/dbraw/zinc/14/33/18/1330143318.db2.gz UQFMOJMCEPCEGW-GOSISDBHSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706984 1330143619 /nfs/dbraw/zinc/14/36/19/1330143619.db2.gz RWIAFZYVDRAADB-APWZRJJASA-N 2 2 349.906 3.142 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706984 1330143621 /nfs/dbraw/zinc/14/36/21/1330143621.db2.gz RWIAFZYVDRAADB-APWZRJJASA-N 2 2 349.906 3.142 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001323035397 1387271768 /nfs/dbraw/zinc/27/17/68/1387271768.db2.gz KJDDMAFAHFHWHG-IPLHWJFFSA-N 2 2 329.488 3.461 10 0 EGAELP CC(C)CCC[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001324353929 1387606542 /nfs/dbraw/zinc/60/65/42/1387606542.db2.gz OQALJJLNOPJGBV-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001324508959 1387656508 /nfs/dbraw/zinc/65/65/08/1387656508.db2.gz FQCHWJSMSMESLR-GOSISDBHSA-N 2 2 348.535 3.054 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629836 1387707226 /nfs/dbraw/zinc/70/72/26/1387707226.db2.gz TUDRCRUNALVZKX-IEBWSBKVSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629836 1387707229 /nfs/dbraw/zinc/70/72/29/1387707229.db2.gz TUDRCRUNALVZKX-IEBWSBKVSA-N 2 2 332.492 3.017 10 0 EGAELP c1ccc(NCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)[nH+]c1 ZINC001200901147 1369446662 /nfs/dbraw/zinc/44/66/62/1369446662.db2.gz GJIPKELIXCIPER-IBGZPJMESA-N 2 2 341.455 3.231 10 0 EGAELP Cc1ncccc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001119669324 1371384788 /nfs/dbraw/zinc/38/47/88/1371384788.db2.gz KDXOKNSEHXSDEM-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001326482539 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/nfs/dbraw/zinc/27/37/94/1377273794.db2.gz VFJAQYMCFKFNBQ-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325946 1377273795 /nfs/dbraw/zinc/27/37/95/1377273795.db2.gz VFJAQYMCFKFNBQ-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001268202187 1377494126 /nfs/dbraw/zinc/49/41/26/1377494126.db2.gz OCNFZUAPCIKYCW-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001268202187 1377494128 /nfs/dbraw/zinc/49/41/28/1377494128.db2.gz OCNFZUAPCIKYCW-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001327479786 1388531748 /nfs/dbraw/zinc/53/17/48/1388531748.db2.gz UMWUYSPSQKTQJT-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001327479786 1388531750 /nfs/dbraw/zinc/53/17/50/1388531750.db2.gz UMWUYSPSQKTQJT-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001283997955 1379352106 /nfs/dbraw/zinc/35/21/06/1379352106.db2.gz FJLJLBVHHLPLPM-AEFFLSMTSA-N 2 2 340.471 3.111 10 0 EGAELP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001284297118 1379685157 /nfs/dbraw/zinc/68/51/57/1379685157.db2.gz SWVYLSKNSNGBRY-QGZVFWFLSA-N 2 2 342.487 3.273 10 0 EGAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001284599059 1379999882 /nfs/dbraw/zinc/99/98/82/1379999882.db2.gz RRZYHBKYSFIRDM-IRXDYDNUSA-N 2 2 336.524 3.247 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC(C)([NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001327996209 1388641537 /nfs/dbraw/zinc/64/15/37/1388641537.db2.gz UNPKYIMYYAHDNI-GOSISDBHSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CCCC2)CC1 ZINC001284702415 1380117470 /nfs/dbraw/zinc/11/74/70/1380117470.db2.gz OCBKUQDWUXMNSQ-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP 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ZINC001717411388 1421343288 /nfs/dbraw/zinc/34/32/88/1421343288.db2.gz RZPPCYTXGHFMCY-UWUBPMADSA-N 2 2 328.460 3.095 10 0 EGAELP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717540773 1421481124 /nfs/dbraw/zinc/48/11/24/1421481124.db2.gz SDFIRRGIPKQHOL-ROUUACIJSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717540773 1421481125 /nfs/dbraw/zinc/48/11/25/1421481125.db2.gz SDFIRRGIPKQHOL-ROUUACIJSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001717816033 1421635403 /nfs/dbraw/zinc/63/54/03/1421635403.db2.gz BFXJZGXCRPNLKJ-DOTOQJQBSA-N 2 2 340.471 3.107 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001717831110 1421643736 /nfs/dbraw/zinc/64/37/36/1421643736.db2.gz XHSALISHFVOTBB-PKOBYXMFSA-N 2 2 344.503 3.133 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001717835672 1421648767 /nfs/dbraw/zinc/64/87/67/1421648767.db2.gz 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ZINC001723038996 1424292130 /nfs/dbraw/zinc/29/21/30/1424292130.db2.gz OIKHEYJLXFRGLC-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001723079663 1424297293 /nfs/dbraw/zinc/29/72/93/1424297293.db2.gz KAXILSWIVWHGOL-UHFFFAOYSA-N 2 2 331.382 3.011 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001724323752 1424810671 /nfs/dbraw/zinc/81/06/71/1424810671.db2.gz NFXOXFHOHOUBLR-MBOZVWFJSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001724323752 1424810676 /nfs/dbraw/zinc/81/06/76/1424810676.db2.gz NFXOXFHOHOUBLR-MBOZVWFJSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001724323752 1424810678 /nfs/dbraw/zinc/81/06/78/1424810678.db2.gz NFXOXFHOHOUBLR-MBOZVWFJSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001724323752 1424810684 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ZINC001731426809 1427408182 /nfs/dbraw/zinc/40/81/82/1427408182.db2.gz IUYJIXWWRCOOIS-OTWHNJEPSA-N 2 2 346.519 3.336 10 0 EGAELP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001731430314 1427411962 /nfs/dbraw/zinc/41/19/62/1427411962.db2.gz QBCGVJOKZCFLLA-SNHAVAMSSA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001731430314 1427411967 /nfs/dbraw/zinc/41/19/67/1427411967.db2.gz QBCGVJOKZCFLLA-SNHAVAMSSA-N 2 2 344.503 3.085 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502907 1427484393 /nfs/dbraw/zinc/48/43/93/1427484393.db2.gz KZUYIUZHIBBWRT-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502907 1427484396 /nfs/dbraw/zinc/48/43/96/1427484396.db2.gz KZUYIUZHIBBWRT-IEBWSBKVSA-N 2 2 346.519 3.243 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+][C@@H]3CCc4ccccc43)ccn12 ZINC001731592402 1427634186 /nfs/dbraw/zinc/63/41/86/1427634186.db2.gz QNYNOJNWHFKDBV-IFXJQAMLSA-N 2 2 348.450 3.038 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001731815982 1428010767 /nfs/dbraw/zinc/01/07/67/1428010767.db2.gz HZSKMKMXCFIGOM-KRWDZBQOSA-N 2 2 348.878 3.126 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001731815982 1428010771 /nfs/dbraw/zinc/01/07/71/1428010771.db2.gz HZSKMKMXCFIGOM-KRWDZBQOSA-N 2 2 348.878 3.126 10 0 EGAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH2+]CC2CCCCC2)CC1)C1CC1 ZINC001733579349 1429783196 /nfs/dbraw/zinc/78/31/96/1429783196.db2.gz TXBTVQOTQPBRTL-BMRADRMJSA-N 2 2 347.547 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001733895422 1437713190 /nfs/dbraw/zinc/71/31/90/1437713190.db2.gz UPRWVSVUJZXVAL-CRAIPNDOSA-N 2 2 342.487 3.416 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001733895422 1437713191 /nfs/dbraw/zinc/71/31/91/1437713191.db2.gz UPRWVSVUJZXVAL-CRAIPNDOSA-N 2 2 342.487 3.416 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC(C)C)c[nH+]1 ZINC001733933068 1437746263 /nfs/dbraw/zinc/74/62/63/1437746263.db2.gz SJBVRRAZJUSRRV-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@H+](C)CCCC(C)C)c[nH+]1 ZINC001733933068 1437746265 /nfs/dbraw/zinc/74/62/65/1437746265.db2.gz SJBVRRAZJUSRRV-SFHVURJKSA-N 2 2 348.535 3.286 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001734259976 1437975685 /nfs/dbraw/zinc/97/56/85/1437975685.db2.gz JRXDNOHEZFSIKR-OAHLLOKOSA-N 2 2 334.508 3.106 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001734454478 1438112115 /nfs/dbraw/zinc/11/21/15/1438112115.db2.gz BMQHLEJEAAJRHX-IAGOWNOFSA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001734454478 1438112116 /nfs/dbraw/zinc/11/21/16/1438112116.db2.gz BMQHLEJEAAJRHX-IAGOWNOFSA-N 2 2 334.508 3.086 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734562596 1438159507 /nfs/dbraw/zinc/15/95/07/1438159507.db2.gz VQHUCFNWTKWNRD-RHSMWYFYSA-N 2 2 344.503 3.423 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571624 1438165389 /nfs/dbraw/zinc/16/53/89/1438165389.db2.gz VSSQMOQYWGRYKC-MAUKXSAKSA-N 2 2 346.519 3.209 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571624 1438165392 /nfs/dbraw/zinc/16/53/92/1438165392.db2.gz VSSQMOQYWGRYKC-MAUKXSAKSA-N 2 2 346.519 3.209 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001734610775 1438186956 /nfs/dbraw/zinc/18/69/56/1438186956.db2.gz HAZNBIIHTJMMRJ-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001734610775 1438186959 /nfs/dbraw/zinc/18/69/59/1438186959.db2.gz HAZNBIIHTJMMRJ-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053656804 214192253 /nfs/dbraw/zinc/19/22/53/214192253.db2.gz ULAYAJOPKRJNPC-NSHDSACASA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053656804 214192256 /nfs/dbraw/zinc/19/22/56/214192256.db2.gz ULAYAJOPKRJNPC-NSHDSACASA-N 2 2 329.307 3.475 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000171614367 529760803 /nfs/dbraw/zinc/76/08/03/529760803.db2.gz MIXKPXCMERALCC-OAHLLOKOSA-N 2 2 349.276 3.440 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000171614367 529760804 /nfs/dbraw/zinc/76/08/04/529760804.db2.gz MIXKPXCMERALCC-OAHLLOKOSA-N 2 2 349.276 3.440 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000178317281 232135460 /nfs/dbraw/zinc/13/54/60/232135460.db2.gz WRVGIRQZVUIGHH-GOSISDBHSA-N 2 2 338.459 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000178317281 232135462 /nfs/dbraw/zinc/13/54/62/232135462.db2.gz WRVGIRQZVUIGHH-GOSISDBHSA-N 2 2 338.459 3.182 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747125 213381629 /nfs/dbraw/zinc/38/16/29/213381629.db2.gz YAYUEUUINNJUAW-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747125 213381631 /nfs/dbraw/zinc/38/16/31/213381631.db2.gz YAYUEUUINNJUAW-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP CCc1c(C)[nH+]c(-c2ccc(OC)cc2)nc1NC[C@H]1CCC[NH2+]C1 ZINC000070456254 215694076 /nfs/dbraw/zinc/69/40/76/215694076.db2.gz SGHCHQKWWKCFTG-HNNXBMFYSA-N 2 2 340.471 3.435 10 0 EGAELP C[N@H+](CCc1ccccn1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019843893 212075636 /nfs/dbraw/zinc/07/56/36/212075636.db2.gz YMVBZILNCRTKRZ-INIZCTEOSA-N 2 2 334.261 3.018 10 0 EGAELP C[N@@H+](CCc1ccccn1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019843893 212075637 /nfs/dbraw/zinc/07/56/37/212075637.db2.gz YMVBZILNCRTKRZ-INIZCTEOSA-N 2 2 334.261 3.018 10 0 EGAELP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000377544701 169039638 /nfs/dbraw/zinc/03/96/38/169039638.db2.gz VUIQQXJOPGRWPF-CTXDPNEZSA-N 2 2 339.487 3.144 10 0 EGAELP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000377544701 169039640 /nfs/dbraw/zinc/03/96/40/169039640.db2.gz VUIQQXJOPGRWPF-CTXDPNEZSA-N 2 2 339.487 3.144 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644131 218238997 /nfs/dbraw/zinc/23/89/97/218238997.db2.gz MJIMMHLATHWCLV-DNVCBOLYSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644131 218238998 /nfs/dbraw/zinc/23/89/98/218238998.db2.gz MJIMMHLATHWCLV-DNVCBOLYSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644131 218239002 /nfs/dbraw/zinc/23/90/02/218239002.db2.gz MJIMMHLATHWCLV-DNVCBOLYSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644131 218239004 /nfs/dbraw/zinc/23/90/04/218239004.db2.gz MJIMMHLATHWCLV-DNVCBOLYSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1cccc(OC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095420725 218361535 /nfs/dbraw/zinc/36/15/35/218361535.db2.gz PRWTXDXLDJRCGP-GOSISDBHSA-N 2 2 339.483 3.412 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704309 252154658 /nfs/dbraw/zinc/15/46/58/252154658.db2.gz HIOPWBWLQDOEBX-YZGWKJHDSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704309 252154660 /nfs/dbraw/zinc/15/46/60/252154660.db2.gz HIOPWBWLQDOEBX-YZGWKJHDSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000268704309 252154662 /nfs/dbraw/zinc/15/46/62/252154662.db2.gz HIOPWBWLQDOEBX-YZGWKJHDSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000268704309 252154664 /nfs/dbraw/zinc/15/46/64/252154664.db2.gz HIOPWBWLQDOEBX-YZGWKJHDSA-N 2 2 341.499 3.383 10 0 EGAELP Brc1cccc2c1OCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000268703057 252154871 /nfs/dbraw/zinc/15/48/71/252154871.db2.gz ANCRLJHMLHBFFB-CQSZACIVSA-N 2 2 336.233 3.149 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)CCc3cccs3)CCC[NH+]2C)cn1 ZINC000328641145 258024154 /nfs/dbraw/zinc/02/41/54/258024154.db2.gz QJTYHKXQUQNVPY-MAUKXSAKSA-N 2 2 332.517 3.039 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCc3cccs3)CCC[NH+]2C)cn1 ZINC000328641145 258024155 /nfs/dbraw/zinc/02/41/55/258024155.db2.gz QJTYHKXQUQNVPY-MAUKXSAKSA-N 2 2 332.517 3.039 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3cccs3)CCC[N@@H+]2C)cn1 ZINC000328641145 258024157 /nfs/dbraw/zinc/02/41/57/258024157.db2.gz QJTYHKXQUQNVPY-MAUKXSAKSA-N 2 2 332.517 3.039 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3cccs3)CCC[N@H+]2C)cn1 ZINC000328641145 258024159 /nfs/dbraw/zinc/02/41/59/258024159.db2.gz QJTYHKXQUQNVPY-MAUKXSAKSA-N 2 2 332.517 3.039 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000328627885 258030999 /nfs/dbraw/zinc/03/09/99/258030999.db2.gz GRRFBUOKRQGGOD-WMZOPIPTSA-N 2 2 340.402 3.117 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129373223 533636066 /nfs/dbraw/zinc/63/60/66/533636066.db2.gz FARRFVVQLLDDMZ-BBRMVZONSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129373223 533636069 /nfs/dbraw/zinc/63/60/69/533636069.db2.gz FARRFVVQLLDDMZ-BBRMVZONSA-N 2 2 332.835 3.058 10 0 EGAELP c1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000246941347 141044779 /nfs/dbraw/zinc/04/47/79/141044779.db2.gz UERTZCJBSVQCMS-XJKSGUPXSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000246941347 141044781 /nfs/dbraw/zinc/04/47/81/141044781.db2.gz UERTZCJBSVQCMS-XJKSGUPXSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cs1 ZINC000246941347 141044782 /nfs/dbraw/zinc/04/47/82/141044782.db2.gz UERTZCJBSVQCMS-XJKSGUPXSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cs1 ZINC000246941347 141044783 /nfs/dbraw/zinc/04/47/83/141044783.db2.gz UERTZCJBSVQCMS-XJKSGUPXSA-N 2 2 344.484 3.247 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CC)CN1C(C)=O ZINC000346190225 141176799 /nfs/dbraw/zinc/17/67/99/141176799.db2.gz AVGYIIUATQJWJT-HZPDHXFCSA-N 2 2 346.500 3.155 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CC)CN1C(C)=O ZINC000346190225 141176800 /nfs/dbraw/zinc/17/68/00/141176800.db2.gz AVGYIIUATQJWJT-HZPDHXFCSA-N 2 2 346.500 3.155 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c[nH+]1 ZINC000346214995 141182284 /nfs/dbraw/zinc/18/22/84/141182284.db2.gz ZRDZLPJQQZBZAG-INIZCTEOSA-N 3 2 330.501 3.242 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c[nH+]1 ZINC000346214995 141182285 /nfs/dbraw/zinc/18/22/85/141182285.db2.gz ZRDZLPJQQZBZAG-INIZCTEOSA-N 3 2 330.501 3.242 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000359620996 141388280 /nfs/dbraw/zinc/38/82/80/141388280.db2.gz NURIMKUNJCXSQP-CQSZACIVSA-N 2 2 333.867 3.057 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000359638579 141394394 /nfs/dbraw/zinc/39/43/94/141394394.db2.gz TUGHTGUJXOTDSK-OAHLLOKOSA-N 2 2 347.894 3.447 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)[nH+]1 ZINC000171081741 144001075 /nfs/dbraw/zinc/00/10/75/144001075.db2.gz MJATVQMLDPMRMZ-AWEZNQCLSA-N 2 2 327.457 3.033 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)[nH+]1 ZINC000171081741 144001077 /nfs/dbraw/zinc/00/10/77/144001077.db2.gz MJATVQMLDPMRMZ-AWEZNQCLSA-N 2 2 327.457 3.033 10 0 EGAELP CCSc1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000187792390 144164453 /nfs/dbraw/zinc/16/44/53/144164453.db2.gz GTTWDBLBVZMVST-UHFFFAOYSA-N 2 2 342.512 3.343 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000351775974 144304731 /nfs/dbraw/zinc/30/47/31/144304731.db2.gz WWKMQSOTDAXZKG-JXFKEZNVSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000351775974 144304733 /nfs/dbraw/zinc/30/47/33/144304733.db2.gz WWKMQSOTDAXZKG-JXFKEZNVSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757706 144363032 /nfs/dbraw/zinc/36/30/32/144363032.db2.gz MMMKLHDYUKTKNN-ICSRJNTNSA-N 3 2 338.499 3.384 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757706 144363033 /nfs/dbraw/zinc/36/30/33/144363033.db2.gz MMMKLHDYUKTKNN-ICSRJNTNSA-N 3 2 338.499 3.384 10 0 EGAELP COCCC1(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CCCCC1 ZINC000189751126 153095505 /nfs/dbraw/zinc/09/55/05/153095505.db2.gz GBENEUALCJKBOJ-SFHVURJKSA-N 2 2 338.536 3.159 10 0 EGAELP COCCC1(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CCCCC1 ZINC000189751126 153095510 /nfs/dbraw/zinc/09/55/10/153095510.db2.gz GBENEUALCJKBOJ-SFHVURJKSA-N 2 2 338.536 3.159 10 0 EGAELP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cnn1C(C)C ZINC000191175937 153176618 /nfs/dbraw/zinc/17/66/18/153176618.db2.gz KWHSGOPJBYGUNJ-OAHLLOKOSA-N 2 2 327.476 3.487 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310168846 154139250 /nfs/dbraw/zinc/13/92/50/154139250.db2.gz KMUXIIVUZPUJFC-GOSISDBHSA-N 2 2 325.456 3.010 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310168846 154139252 /nfs/dbraw/zinc/13/92/52/154139252.db2.gz KMUXIIVUZPUJFC-GOSISDBHSA-N 2 2 325.456 3.010 10 0 EGAELP c1nc2ccccn2c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337375427 154317042 /nfs/dbraw/zinc/31/70/42/154317042.db2.gz GJXGUMPXYKLYIH-INIZCTEOSA-N 2 2 335.455 3.247 10 0 EGAELP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(C2CCCC2)c1 ZINC000337387127 154326169 /nfs/dbraw/zinc/32/61/69/154326169.db2.gz IJIWCGQUKAPCGG-OAHLLOKOSA-N 2 2 327.476 3.424 10 0 EGAELP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000337406524 154337241 /nfs/dbraw/zinc/33/72/41/154337241.db2.gz UIKCMWJJRCWFGB-GIVPXCGWSA-N 2 2 344.499 3.066 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000345347757 156064715 /nfs/dbraw/zinc/06/47/15/156064715.db2.gz FFNFGTZKXCDAQE-ZKIDJSGLSA-N 2 2 336.483 3.389 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000345347757 156064717 /nfs/dbraw/zinc/06/47/17/156064717.db2.gz FFNFGTZKXCDAQE-ZKIDJSGLSA-N 2 2 336.483 3.389 10 0 EGAELP O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000348870352 156269255 /nfs/dbraw/zinc/26/92/55/156269255.db2.gz SIEXSNSWGKOBSL-AWEZNQCLSA-N 2 2 345.390 3.213 10 0 EGAELP O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000348870352 156269257 /nfs/dbraw/zinc/26/92/57/156269257.db2.gz SIEXSNSWGKOBSL-AWEZNQCLSA-N 2 2 345.390 3.213 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619035 157194237 /nfs/dbraw/zinc/19/42/37/157194237.db2.gz BCYPMABNQXYAMM-QGZVFWFLSA-N 2 2 340.471 3.362 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619035 157194238 /nfs/dbraw/zinc/19/42/38/157194238.db2.gz BCYPMABNQXYAMM-QGZVFWFLSA-N 2 2 340.471 3.362 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c(C)nc2s1 ZINC000093683774 162023011 /nfs/dbraw/zinc/02/30/11/162023011.db2.gz MCOYOYTVUFMTOG-MRXNPFEDSA-N 2 2 332.517 3.320 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c(C)nc2s1 ZINC000093683774 162023013 /nfs/dbraw/zinc/02/30/13/162023013.db2.gz MCOYOYTVUFMTOG-MRXNPFEDSA-N 2 2 332.517 3.320 10 0 EGAELP C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000248669241 163027334 /nfs/dbraw/zinc/02/73/34/163027334.db2.gz RFYKWTLUKBMHOZ-QFBILLFUSA-N 2 2 325.456 3.334 10 0 EGAELP C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000248669241 163027337 /nfs/dbraw/zinc/02/73/37/163027337.db2.gz RFYKWTLUKBMHOZ-QFBILLFUSA-N 2 2 325.456 3.334 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000343835580 164047705 /nfs/dbraw/zinc/04/77/05/164047705.db2.gz CROPALMYLLMYMP-CJNGLKHVSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000343835580 164047708 /nfs/dbraw/zinc/04/77/08/164047708.db2.gz CROPALMYLLMYMP-CJNGLKHVSA-N 2 2 347.846 3.391 10 0 EGAELP CCCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912070 164064520 /nfs/dbraw/zinc/06/45/20/164064520.db2.gz BUAICBMTCOHHGO-VQTJNVASSA-N 2 2 345.531 3.450 10 0 EGAELP CCCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912070 164064523 /nfs/dbraw/zinc/06/45/23/164064523.db2.gz BUAICBMTCOHHGO-VQTJNVASSA-N 2 2 345.531 3.450 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000346166475 164354884 /nfs/dbraw/zinc/35/48/84/164354884.db2.gz JJYCPCBZEPJFRO-UHFFFAOYSA-N 2 2 344.459 3.128 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000346166475 164354886 /nfs/dbraw/zinc/35/48/86/164354886.db2.gz JJYCPCBZEPJFRO-UHFFFAOYSA-N 2 2 344.459 3.128 10 0 EGAELP c1cn(-c2csc(CN3CC[NH+](C4CCCCC4)CC3)c2)c[nH+]1 ZINC000346175165 164357454 /nfs/dbraw/zinc/35/74/54/164357454.db2.gz NIKYPSQZUUKZNR-UHFFFAOYSA-N 2 2 330.501 3.384 10 0 EGAELP CCC[NH+]1CCC(N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000355634929 166267232 /nfs/dbraw/zinc/26/72/32/166267232.db2.gz MGXQCVSMQAPTFX-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP COc1cc(C)[nH+]c(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000359377169 167139862 /nfs/dbraw/zinc/13/98/62/167139862.db2.gz LUPGIXQNVRXXOO-OAQYLSRUSA-N 2 2 339.483 3.399 10 0 EGAELP COc1cc2c(NCc3ccc(N(C)C)[nH+]c3)cc[nH+]c2cc1F ZINC000359445567 167158367 /nfs/dbraw/zinc/15/83/67/167158367.db2.gz WQFJPJWHQJGQGO-UHFFFAOYSA-N 2 2 326.375 3.456 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366923303 168157511 /nfs/dbraw/zinc/15/75/11/168157511.db2.gz RZCNRPXNVPQENL-MLGOLLRUSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366923303 168157512 /nfs/dbraw/zinc/15/75/12/168157512.db2.gz RZCNRPXNVPQENL-MLGOLLRUSA-N 2 2 338.908 3.308 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000123188301 222231370 /nfs/dbraw/zinc/23/13/70/222231370.db2.gz QWVGWNDAFQRXDK-WBVHZDCISA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000123188301 222231374 /nfs/dbraw/zinc/23/13/74/222231374.db2.gz QWVGWNDAFQRXDK-WBVHZDCISA-N 2 2 339.439 3.429 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1 ZINC000677880743 549348983 /nfs/dbraw/zinc/34/89/83/549348983.db2.gz BFLSUKJNSPNDNM-QGZVFWFLSA-N 2 2 344.422 3.341 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000195258284 266169276 /nfs/dbraw/zinc/16/92/76/266169276.db2.gz JEKJSMIVJDXTHC-MRXNPFEDSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000195258284 266169278 /nfs/dbraw/zinc/16/92/78/266169278.db2.gz JEKJSMIVJDXTHC-MRXNPFEDSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC000195258284 266169280 /nfs/dbraw/zinc/16/92/80/266169280.db2.gz JEKJSMIVJDXTHC-MRXNPFEDSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC000195258284 266169282 /nfs/dbraw/zinc/16/92/82/266169282.db2.gz JEKJSMIVJDXTHC-MRXNPFEDSA-N 2 2 325.522 3.020 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261884 /nfs/dbraw/zinc/26/18/84/266261884.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261887 /nfs/dbraw/zinc/26/18/87/266261887.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261890 /nfs/dbraw/zinc/26/18/90/266261890.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261895 /nfs/dbraw/zinc/26/18/95/266261895.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000358985978 275073252 /nfs/dbraw/zinc/07/32/52/275073252.db2.gz KYZHFRFXKVGTIJ-CRAIPNDOSA-N 2 2 333.439 3.051 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000150910647 275193637 /nfs/dbraw/zinc/19/36/37/275193637.db2.gz YIGFTMMEQSXRON-CYBMUJFWSA-N 2 2 326.375 3.296 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000150910647 275193638 /nfs/dbraw/zinc/19/36/38/275193638.db2.gz YIGFTMMEQSXRON-CYBMUJFWSA-N 2 2 326.375 3.296 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)nc1 ZINC000353288207 280479961 /nfs/dbraw/zinc/47/99/61/280479961.db2.gz GSSDEWSXZPXAOS-IOMROCGXSA-N 2 2 343.515 3.231 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000414107929 309061379 /nfs/dbraw/zinc/06/13/79/309061379.db2.gz SUXJLCBRSYQUSL-QKYXUNIQSA-N 2 2 325.456 3.056 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000414107929 309061380 /nfs/dbraw/zinc/06/13/80/309061380.db2.gz SUXJLCBRSYQUSL-QKYXUNIQSA-N 2 2 325.456 3.056 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCCCCC1 ZINC000414858420 309105903 /nfs/dbraw/zinc/10/59/03/309105903.db2.gz JCKMNUCKNPMMEK-UHFFFAOYSA-N 2 2 342.386 3.158 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006979 308017056 /nfs/dbraw/zinc/01/70/56/308017056.db2.gz JBUHXKIVWGLWKL-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006979 308017057 /nfs/dbraw/zinc/01/70/57/308017057.db2.gz JBUHXKIVWGLWKL-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006979 308017058 /nfs/dbraw/zinc/01/70/58/308017058.db2.gz JBUHXKIVWGLWKL-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006979 308017059 /nfs/dbraw/zinc/01/70/59/308017059.db2.gz JBUHXKIVWGLWKL-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000295727293 308354285 /nfs/dbraw/zinc/35/42/85/308354285.db2.gz NWZSJQBPQFVJMY-MOPGFXCFSA-N 2 2 330.497 3.029 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000295727293 308354286 /nfs/dbraw/zinc/35/42/86/308354286.db2.gz NWZSJQBPQFVJMY-MOPGFXCFSA-N 2 2 330.497 3.029 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414770025 309099757 /nfs/dbraw/zinc/09/97/57/309099757.db2.gz NHXQOTLRJFOAIR-JXFKEZNVSA-N 2 2 332.451 3.461 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414770025 309099758 /nfs/dbraw/zinc/09/97/58/309099758.db2.gz NHXQOTLRJFOAIR-JXFKEZNVSA-N 2 2 332.451 3.461 10 0 EGAELP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc(C)c1O ZINC000298692153 308633306 /nfs/dbraw/zinc/63/33/06/308633306.db2.gz LJFCQGPAAXVCGQ-UHFFFAOYSA-N 2 2 325.456 3.158 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839290 309104848 /nfs/dbraw/zinc/10/48/48/309104848.db2.gz VXYZQUYPNFRHKR-CRAIPNDOSA-N 2 2 325.456 3.256 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CCCC[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000333109737 308850224 /nfs/dbraw/zinc/85/02/24/308850224.db2.gz GEASMSQHYLVPMI-JKSUJKDBSA-N 2 2 345.491 3.032 10 0 EGAELP C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@@H+]1C ZINC000413165768 309019181 /nfs/dbraw/zinc/01/91/81/309019181.db2.gz SPTWAUHZQHVAKC-BXUZGUMPSA-N 2 2 334.261 3.314 10 0 EGAELP C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@H+]1C ZINC000413165768 309019182 /nfs/dbraw/zinc/01/91/82/309019182.db2.gz SPTWAUHZQHVAKC-BXUZGUMPSA-N 2 2 334.261 3.314 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000413254498 309023681 /nfs/dbraw/zinc/02/36/81/309023681.db2.gz YPBPBUWATZJBBR-ZDUSSCGKSA-N 2 2 343.228 3.043 10 0 EGAELP Cc1cn2cc(NC(=O)N(CCC[NH3+])CC3CCCC3)ccc2[nH+]1 ZINC000415119385 309121625 /nfs/dbraw/zinc/12/16/25/309121625.db2.gz FLODERPRMSKPTA-UHFFFAOYSA-N 2 2 329.448 3.016 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000415957287 309151192 /nfs/dbraw/zinc/15/11/92/309151192.db2.gz PBHDYAZCCXDXMO-QAPCUYQASA-N 2 2 341.459 3.108 10 0 EGAELP c1cn(-c2csc(C[NH2+]CC[C@H]3COc4ccccc4O3)c2)c[nH+]1 ZINC000418100968 309235567 /nfs/dbraw/zinc/23/55/67/309235567.db2.gz RYUAURNJWIPPGK-HNNXBMFYSA-N 2 2 341.436 3.254 10 0 EGAELP CC[N@H+](CCc1nccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420944319 309302989 /nfs/dbraw/zinc/30/29/89/309302989.db2.gz XZRAHAYUSZDJGV-UHFFFAOYSA-N 2 2 345.512 3.040 10 0 EGAELP CC[N@@H+](CCc1nccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420944319 309302990 /nfs/dbraw/zinc/30/29/90/309302990.db2.gz XZRAHAYUSZDJGV-UHFFFAOYSA-N 2 2 345.512 3.040 10 0 EGAELP CCOc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OC(F)F ZINC000422562402 309361710 /nfs/dbraw/zinc/36/17/10/309361710.db2.gz PWRKUAJRQURZGU-UHFFFAOYSA-N 2 2 326.387 3.015 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422710941 309364284 /nfs/dbraw/zinc/36/42/84/309364284.db2.gz LYKONIGCZWVLME-UZLBHIALSA-N 2 2 332.488 3.002 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422746468 309366336 /nfs/dbraw/zinc/36/63/36/309366336.db2.gz WPCOKQWRBOJNHV-SFTDATJTSA-N 3 2 345.531 3.200 10 0 EGAELP CC[NH+](CC)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795614 309368789 /nfs/dbraw/zinc/36/87/89/309368789.db2.gz HXHVQIJFWPNDIH-MGPUTAFESA-N 2 2 342.487 3.236 10 0 EGAELP CCN(CC)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795614 309368790 /nfs/dbraw/zinc/36/87/90/309368790.db2.gz HXHVQIJFWPNDIH-MGPUTAFESA-N 2 2 342.487 3.236 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422990619 309379848 /nfs/dbraw/zinc/37/98/48/309379848.db2.gz NYIJZVSJBIMDPW-FIRPJDEBSA-N 2 2 346.515 3.409 10 0 EGAELP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)c2ccccc21 ZINC000422990590 309379895 /nfs/dbraw/zinc/37/98/95/309379895.db2.gz NUSQXMCBNWIIMW-IKGGRYGDSA-N 2 2 347.256 3.217 10 0 EGAELP CCC(CC)(C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(=O)OC ZINC000423036750 309382241 /nfs/dbraw/zinc/38/22/41/309382241.db2.gz LLDALJMTTKQHDG-QZTJIDSGSA-N 2 2 348.487 3.057 10 0 EGAELP Clc1ccc(CCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000423105105 309386040 /nfs/dbraw/zinc/38/60/40/309386040.db2.gz NCTHPMCUSALYQN-GDBMZVCRSA-N 2 2 328.909 3.081 10 0 EGAELP Clc1cccc(CC2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000423170385 309389040 /nfs/dbraw/zinc/38/90/40/309389040.db2.gz LTVLRIBDKADJHK-ROUUACIJSA-N 2 2 334.891 3.019 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423193362 309389902 /nfs/dbraw/zinc/38/99/02/309389902.db2.gz XGJLOAUPFKZVKX-IBGZPJMESA-N 2 2 341.455 3.073 10 0 EGAELP c1c[nH]c([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCCCC2)n1 ZINC000423191267 309389946 /nfs/dbraw/zinc/38/99/46/309389946.db2.gz SOKUCNKZFHWWIJ-GOSISDBHSA-N 2 2 327.476 3.196 10 0 EGAELP [NH3+]CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423196581 309390055 /nfs/dbraw/zinc/39/00/55/309390055.db2.gz VPWJUWSQMFTRIO-SFHVURJKSA-N 2 2 332.831 3.139 10 0 EGAELP COc1ccc([C@@H](C)[C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224352 309391310 /nfs/dbraw/zinc/39/13/10/309391310.db2.gz BYNSZLZTZXVHJR-HOTGVXAUSA-N 2 2 340.471 3.104 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419323 310060468 /nfs/dbraw/zinc/06/04/68/310060468.db2.gz HIFGSRGOFVNJAR-VQTJNVASSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419323 310060469 /nfs/dbraw/zinc/06/04/69/310060469.db2.gz HIFGSRGOFVNJAR-VQTJNVASSA-N 2 2 328.431 3.123 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000449520152 310068965 /nfs/dbraw/zinc/06/89/65/310068965.db2.gz DLGWRXRRQKCCFI-AUSJPIAWSA-N 2 2 329.488 3.244 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450111343 310104108 /nfs/dbraw/zinc/10/41/08/310104108.db2.gz HGGQMTQEOLYHKT-QRQLOZEOSA-N 2 2 344.503 3.090 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450111343 310104109 /nfs/dbraw/zinc/10/41/09/310104109.db2.gz HGGQMTQEOLYHKT-QRQLOZEOSA-N 2 2 344.503 3.090 10 0 EGAELP CC[NH+](CC)CC1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450254571 310111446 /nfs/dbraw/zinc/11/14/46/310111446.db2.gz UUYDWBPJLCONDI-UHFFFAOYSA-N 2 2 341.503 3.254 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058489 310254754 /nfs/dbraw/zinc/25/47/54/310254754.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058489 310254755 /nfs/dbraw/zinc/25/47/55/310254755.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058489 310254756 /nfs/dbraw/zinc/25/47/56/310254756.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058489 310254757 /nfs/dbraw/zinc/25/47/57/310254757.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058489 310254758 /nfs/dbraw/zinc/25/47/58/310254758.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058489 310254759 /nfs/dbraw/zinc/25/47/59/310254759.db2.gz KUHPVZLJSWTTHL-DNVCBOLYSA-N 2 2 345.466 3.277 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000453078143 310256488 /nfs/dbraw/zinc/25/64/88/310256488.db2.gz BPWJWCYRAACESR-UYAOXDASSA-N 2 2 346.515 3.306 10 0 EGAELP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCCC[N@@H+]3CCO)ccc2c1 ZINC000453251573 310266776 /nfs/dbraw/zinc/26/67/76/310266776.db2.gz AXFPUIYVRPAEDN-OXJNMPFZSA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCCC[N@H+]3CCO)ccc2c1 ZINC000453251573 310266777 /nfs/dbraw/zinc/26/67/77/310266777.db2.gz AXFPUIYVRPAEDN-OXJNMPFZSA-N 2 2 342.483 3.346 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)F ZINC000453273723 310268726 /nfs/dbraw/zinc/26/87/26/310268726.db2.gz VTSUSCOSQAOAMH-GDBMZVCRSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccccc1OC(F)F ZINC000453273723 310268727 /nfs/dbraw/zinc/26/87/27/310268727.db2.gz VTSUSCOSQAOAMH-GDBMZVCRSA-N 2 2 342.430 3.176 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+]CCc3cn(C)c[nH+]3)cs2)cc1 ZINC000459674717 310568031 /nfs/dbraw/zinc/56/80/31/310568031.db2.gz ZXWQLJPYDSGGSX-UHFFFAOYSA-N 2 2 342.468 3.096 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000459782543 310575013 /nfs/dbraw/zinc/57/50/13/310575013.db2.gz ZHKGBHLFXVGNDK-IAGOWNOFSA-N 2 2 326.488 3.166 10 0 EGAELP Cc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000480406047 310893902 /nfs/dbraw/zinc/89/39/02/310893902.db2.gz SXJBUJZHXYDAKF-GOSISDBHSA-N 2 2 339.487 3.191 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059618 311162714 /nfs/dbraw/zinc/16/27/14/311162714.db2.gz STQBHTJZWQYZND-MOPGFXCFSA-N 2 2 337.552 3.125 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059618 311162715 /nfs/dbraw/zinc/16/27/15/311162715.db2.gz STQBHTJZWQYZND-MOPGFXCFSA-N 2 2 337.552 3.125 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000515056995 312263337 /nfs/dbraw/zinc/26/33/37/312263337.db2.gz SUAWKDKQWLHYRR-SFHVURJKSA-N 2 2 343.446 3.455 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)n1-c1ccccc1 ZINC000527741481 312929873 /nfs/dbraw/zinc/92/98/73/312929873.db2.gz CSJQIBFCBNMVTO-MRXNPFEDSA-N 2 2 349.360 3.270 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787214 313172702 /nfs/dbraw/zinc/17/27/02/313172702.db2.gz HUQAFANNQMRDQG-SFHVURJKSA-N 2 2 335.411 3.013 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787214 313172705 /nfs/dbraw/zinc/17/27/05/313172705.db2.gz HUQAFANNQMRDQG-SFHVURJKSA-N 2 2 335.411 3.013 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529675746 313384561 /nfs/dbraw/zinc/38/45/61/313384561.db2.gz IPMCBBMTQJPTRT-IMWIBFENSA-N 2 2 348.556 3.130 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529675746 313384564 /nfs/dbraw/zinc/38/45/64/313384564.db2.gz IPMCBBMTQJPTRT-IMWIBFENSA-N 2 2 348.556 3.130 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529675746 313384566 /nfs/dbraw/zinc/38/45/66/313384566.db2.gz IPMCBBMTQJPTRT-IMWIBFENSA-N 2 2 348.556 3.130 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529675746 313384569 /nfs/dbraw/zinc/38/45/69/313384569.db2.gz IPMCBBMTQJPTRT-IMWIBFENSA-N 2 2 348.556 3.130 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912255 314154167 /nfs/dbraw/zinc/15/41/67/314154167.db2.gz ZJEUENOREIKAPG-UMVBOHGHSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912255 314154170 /nfs/dbraw/zinc/15/41/70/314154170.db2.gz ZJEUENOREIKAPG-UMVBOHGHSA-N 2 2 330.394 3.403 10 0 EGAELP CCC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264369 314235343 /nfs/dbraw/zinc/23/53/43/314235343.db2.gz UGYGASXSPZLCHH-WOJBJXKFSA-N 2 2 344.547 3.352 10 0 EGAELP CCC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264369 314235347 /nfs/dbraw/zinc/23/53/47/314235347.db2.gz UGYGASXSPZLCHH-WOJBJXKFSA-N 2 2 344.547 3.352 10 0 EGAELP FC(F)(F)COc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551569023 315159289 /nfs/dbraw/zinc/15/92/89/315159289.db2.gz CMKRSQBKUJMXMZ-UHFFFAOYSA-N 2 2 339.361 3.450 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000552046658 315193256 /nfs/dbraw/zinc/19/32/56/315193256.db2.gz NPLUJWODINLAME-OJAHFUOMSA-N 3 2 347.572 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000552046658 315193258 /nfs/dbraw/zinc/19/32/58/315193258.db2.gz NPLUJWODINLAME-OJAHFUOMSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000552046658 315193259 /nfs/dbraw/zinc/19/32/59/315193259.db2.gz NPLUJWODINLAME-OJAHFUOMSA-N 3 2 347.572 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000552046658 315193261 /nfs/dbraw/zinc/19/32/61/315193261.db2.gz NPLUJWODINLAME-OJAHFUOMSA-N 3 2 347.572 3.423 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821360 316075250 /nfs/dbraw/zinc/07/52/50/316075250.db2.gz SKXMYAPHMGSKOT-RXMUNUFUSA-N 2 2 343.515 3.018 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821360 316075253 /nfs/dbraw/zinc/07/52/53/316075253.db2.gz SKXMYAPHMGSKOT-RXMUNUFUSA-N 2 2 343.515 3.018 10 0 EGAELP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076468 316110460 /nfs/dbraw/zinc/11/04/60/316110460.db2.gz BKJFQCPVPILRRM-ABAIWWIYSA-N 2 2 329.271 3.025 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076468 316110462 /nfs/dbraw/zinc/11/04/62/316110462.db2.gz BKJFQCPVPILRRM-ABAIWWIYSA-N 2 2 329.271 3.025 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000566020647 316404900 /nfs/dbraw/zinc/40/49/00/316404900.db2.gz YZASHZGIUKTSJE-KRWDZBQOSA-N 2 2 325.456 3.234 10 0 EGAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184902 454826728 /nfs/dbraw/zinc/82/67/28/454826728.db2.gz JORFOQFEPOWZMD-IAGOWNOFSA-N 2 2 331.257 3.376 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184902 454826732 /nfs/dbraw/zinc/82/67/32/454826732.db2.gz JORFOQFEPOWZMD-IAGOWNOFSA-N 2 2 331.257 3.376 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000580312441 325233308 /nfs/dbraw/zinc/23/33/08/325233308.db2.gz PJMSRJBNDGDACH-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000580312441 325233310 /nfs/dbraw/zinc/23/33/10/325233310.db2.gz PJMSRJBNDGDACH-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892098 325306056 /nfs/dbraw/zinc/30/60/56/325306056.db2.gz BZZHEDADLGOCGX-VQIMIIECSA-N 2 2 338.499 3.436 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000580892098 325306059 /nfs/dbraw/zinc/30/60/59/325306059.db2.gz BZZHEDADLGOCGX-VQIMIIECSA-N 2 2 338.499 3.436 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1 ZINC000180673074 455223547 /nfs/dbraw/zinc/22/35/47/455223547.db2.gz WBQLUXCMMJSFKD-IRXDYDNUSA-N 2 2 348.450 3.228 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1 ZINC000180673108 455223943 /nfs/dbraw/zinc/22/39/43/455223943.db2.gz WBQLUXCMMJSFKD-DLBZAZTESA-N 2 2 348.450 3.228 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894263 455250336 /nfs/dbraw/zinc/25/03/36/455250336.db2.gz RRXCAESASDTEQU-HZPDHXFCSA-N 2 2 328.460 3.074 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000264664392 455258784 /nfs/dbraw/zinc/25/87/84/455258784.db2.gz RTKIFYGESRUPIB-OAHLLOKOSA-N 2 2 343.475 3.276 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000264664392 455258789 /nfs/dbraw/zinc/25/87/89/455258789.db2.gz RTKIFYGESRUPIB-OAHLLOKOSA-N 2 2 343.475 3.276 10 0 EGAELP CCOc1cc(C[NH2+]CCCNc2cccc[nH+]2)c(F)cc1OC ZINC000623441958 460551837 /nfs/dbraw/zinc/55/18/37/460551837.db2.gz RWQWVRWHQORKKV-UHFFFAOYSA-N 2 2 333.407 3.220 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190221897 455289088 /nfs/dbraw/zinc/28/90/88/455289088.db2.gz IVXOLQQNFCQIDT-QGZVFWFLSA-N 2 2 333.476 3.016 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190221897 455289091 /nfs/dbraw/zinc/28/90/91/455289091.db2.gz IVXOLQQNFCQIDT-QGZVFWFLSA-N 2 2 333.476 3.016 10 0 EGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000265475451 455331818 /nfs/dbraw/zinc/33/18/18/455331818.db2.gz JDJPKCMCMRIFQR-CYBMUJFWSA-N 2 2 346.862 3.120 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779269 455378936 /nfs/dbraw/zinc/37/89/36/455378936.db2.gz UAOQNXCFXRPAAH-DZGCQCFKSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779269 455378938 /nfs/dbraw/zinc/37/89/38/455378938.db2.gz UAOQNXCFXRPAAH-DZGCQCFKSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779269 455378940 /nfs/dbraw/zinc/37/89/40/455378940.db2.gz UAOQNXCFXRPAAH-DZGCQCFKSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC(F)F)[C@@H](C)C1 ZINC000245779269 455378941 /nfs/dbraw/zinc/37/89/41/455378941.db2.gz UAOQNXCFXRPAAH-DZGCQCFKSA-N 2 2 342.430 3.459 10 0 EGAELP Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000084672920 454004772 /nfs/dbraw/zinc/00/47/72/454004772.db2.gz VODPQADZFLUPKG-IBGZPJMESA-N 2 2 347.466 3.334 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCCO1 ZINC000623974970 460805645 /nfs/dbraw/zinc/80/56/45/460805645.db2.gz VHVSNJQLFBGNKV-KKOFPSKJSA-N 2 2 334.426 3.339 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000086247920 454045261 /nfs/dbraw/zinc/04/52/61/454045261.db2.gz YWZJDNFLDFGLSD-AWEZNQCLSA-N 2 2 345.406 3.319 10 0 EGAELP [NH2+]=C(NCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000057752039 454144139 /nfs/dbraw/zinc/14/41/39/454144139.db2.gz PZXIFTIRXNTJHT-KRWDZBQOSA-N 2 2 326.444 3.121 10 0 EGAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)nc3sc(C)cn13)CCC2 ZINC000089702103 454179900 /nfs/dbraw/zinc/17/99/00/454179900.db2.gz NYVPUOSRVAAFOF-CQSZACIVSA-N 2 2 329.473 3.185 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200573 454423172 /nfs/dbraw/zinc/42/31/72/454423172.db2.gz XRGZNWGGAHTJCI-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200573 454423177 /nfs/dbraw/zinc/42/31/77/454423177.db2.gz XRGZNWGGAHTJCI-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972879 454426426 /nfs/dbraw/zinc/42/64/26/454426426.db2.gz YMMCGONFTWHAPU-UHFFFAOYSA-N 2 2 349.906 3.395 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960590 454496257 /nfs/dbraw/zinc/49/62/57/454496257.db2.gz MXVRMMZJABNPKU-ZFWWWQNUSA-N 2 2 335.883 3.477 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960590 454496263 /nfs/dbraw/zinc/49/62/63/454496263.db2.gz MXVRMMZJABNPKU-ZFWWWQNUSA-N 2 2 335.883 3.477 10 0 EGAELP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623615350 460642877 /nfs/dbraw/zinc/64/28/77/460642877.db2.gz ZXRSEYUJJRLBKA-CTNGQTDRSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623615350 460642880 /nfs/dbraw/zinc/64/28/80/460642880.db2.gz ZXRSEYUJJRLBKA-CTNGQTDRSA-N 2 2 344.499 3.351 10 0 EGAELP C[N@H+](C[C@H](NC(=O)C1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000065595870 454600477 /nfs/dbraw/zinc/60/04/77/454600477.db2.gz SIULFNAIKUFUFN-FQEVSTJZSA-N 2 2 343.515 3.060 10 0 EGAELP C[N@@H+](C[C@H](NC(=O)C1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000065595870 454600480 /nfs/dbraw/zinc/60/04/80/454600480.db2.gz SIULFNAIKUFUFN-FQEVSTJZSA-N 2 2 343.515 3.060 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105876077 454661648 /nfs/dbraw/zinc/66/16/48/454661648.db2.gz QAOGGZYYINBCDS-UHFFFAOYSA-N 3 2 335.455 3.061 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000105897576 454666034 /nfs/dbraw/zinc/66/60/34/454666034.db2.gz MMQLHUYSLKHCRM-QGZVFWFLSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000105897576 454666038 /nfs/dbraw/zinc/66/60/38/454666038.db2.gz MMQLHUYSLKHCRM-QGZVFWFLSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000105896218 454666481 /nfs/dbraw/zinc/66/64/81/454666481.db2.gz BBKVGGMPTXNMEI-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000105896218 454666484 /nfs/dbraw/zinc/66/64/84/454666484.db2.gz BBKVGGMPTXNMEI-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000106215274 454686404 /nfs/dbraw/zinc/68/64/04/454686404.db2.gz ZWZOIPLHBUKULO-IBGZPJMESA-N 3 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000106215274 454686406 /nfs/dbraw/zinc/68/64/06/454686406.db2.gz ZWZOIPLHBUKULO-IBGZPJMESA-N 3 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000106215274 454686411 /nfs/dbraw/zinc/68/64/11/454686411.db2.gz ZWZOIPLHBUKULO-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000106215274 454686413 /nfs/dbraw/zinc/68/64/13/454686413.db2.gz ZWZOIPLHBUKULO-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2Cl)nc[nH+]1 ZINC000136072188 454718129 /nfs/dbraw/zinc/71/81/29/454718129.db2.gz XALCGQONAJOYNA-CQSZACIVSA-N 2 2 349.841 3.069 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639113 454725150 /nfs/dbraw/zinc/72/51/50/454725150.db2.gz KDYOGFHBUMABLD-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639113 454725153 /nfs/dbraw/zinc/72/51/53/454725153.db2.gz KDYOGFHBUMABLD-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639113 454725159 /nfs/dbraw/zinc/72/51/59/454725159.db2.gz KDYOGFHBUMABLD-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639113 454725162 /nfs/dbraw/zinc/72/51/62/454725162.db2.gz KDYOGFHBUMABLD-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101087 454823391 /nfs/dbraw/zinc/82/33/91/454823391.db2.gz ZGHSOYSZWBRXPT-HNNXBMFYSA-N 2 2 339.361 3.489 10 0 EGAELP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101087 454823394 /nfs/dbraw/zinc/82/33/94/454823394.db2.gz ZGHSOYSZWBRXPT-HNNXBMFYSA-N 2 2 339.361 3.489 10 0 EGAELP COc1c(C)c[nH+]c(CN2CCN(c3cc[nH+]cc3Cl)CC2)c1C ZINC000163425440 454846494 /nfs/dbraw/zinc/84/64/94/454846494.db2.gz RFSFEJSDQFVJGY-UHFFFAOYSA-N 2 2 346.862 3.078 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000151267885 454961573 /nfs/dbraw/zinc/96/15/73/454961573.db2.gz VVXCOHLZHJCWQK-TZMCWYRMSA-N 2 2 331.287 3.491 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151279725 454963293 /nfs/dbraw/zinc/96/32/93/454963293.db2.gz LPCZHHNUHOURHO-DZGCQCFKSA-N 2 2 326.481 3.045 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151311601 454966787 /nfs/dbraw/zinc/96/67/87/454966787.db2.gz RSVMDNNDESRAOJ-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151482607 454991108 /nfs/dbraw/zinc/99/11/08/454991108.db2.gz MUKIUETXSBRNIF-CQSZACIVSA-N 2 2 338.411 3.135 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1F ZINC000151494475 454993023 /nfs/dbraw/zinc/99/30/23/454993023.db2.gz XURVPEBDAAHVPX-ZDUSSCGKSA-N 2 2 326.375 3.266 10 0 EGAELP c1cn(-c2ncccc2C[NH2+][C@H]2CSCCc3ccccc32)c[nH+]1 ZINC000151531705 454998033 /nfs/dbraw/zinc/99/80/33/454998033.db2.gz FUERTPLAAKBORI-SFHVURJKSA-N 2 2 336.464 3.388 10 0 EGAELP c1ccc2c(c1)NC[C@@H]2CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000635017523 460657090 /nfs/dbraw/zinc/65/70/90/460657090.db2.gz DTLQCOYRPYQTKH-SFHVURJKSA-N 2 2 336.483 3.235 10 0 EGAELP c1nn2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000179415651 455046253 /nfs/dbraw/zinc/04/62/53/455046253.db2.gz IPLGPKCPSJERBT-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP c1nn2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000179415651 455046257 /nfs/dbraw/zinc/04/62/57/455046257.db2.gz IPLGPKCPSJERBT-SFHVURJKSA-N 2 2 326.488 3.422 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156456579 455120441 /nfs/dbraw/zinc/12/04/41/455120441.db2.gz NADODJUPQAULKX-RDTXWAMCSA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156456579 455120445 /nfs/dbraw/zinc/12/04/45/455120445.db2.gz NADODJUPQAULKX-RDTXWAMCSA-N 2 2 341.434 3.475 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156488064 455124752 /nfs/dbraw/zinc/12/47/52/455124752.db2.gz FHHAFTJGCNRMGL-MAUKXSAKSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156488064 455124756 /nfs/dbraw/zinc/12/47/56/455124756.db2.gz FHHAFTJGCNRMGL-MAUKXSAKSA-N 2 2 326.444 3.022 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000180166046 455142997 /nfs/dbraw/zinc/14/29/97/455142997.db2.gz VNCSVFYYUBWTNR-XLIONFOSSA-N 2 2 337.471 3.228 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000245416028 455292035 /nfs/dbraw/zinc/29/20/35/455292035.db2.gz DTZMFRLPUDNLFI-MDZRGWNJSA-N 2 2 349.494 3.007 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000245416028 455292036 /nfs/dbraw/zinc/29/20/36/455292036.db2.gz DTZMFRLPUDNLFI-MDZRGWNJSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000245416028 455292038 /nfs/dbraw/zinc/29/20/38/455292038.db2.gz DTZMFRLPUDNLFI-MDZRGWNJSA-N 2 2 349.494 3.007 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000245416028 455292039 /nfs/dbraw/zinc/29/20/39/455292039.db2.gz DTZMFRLPUDNLFI-MDZRGWNJSA-N 2 2 349.494 3.007 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180645206 455217012 /nfs/dbraw/zinc/21/70/12/455217012.db2.gz BTMYYKSUGXXOBR-OLZOCXBDSA-N 2 2 341.440 3.007 10 0 EGAELP COCc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479187 455328172 /nfs/dbraw/zinc/32/81/72/455328172.db2.gz UWPPSFSRGMCAMR-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479187 455328175 /nfs/dbraw/zinc/32/81/75/455328175.db2.gz UWPPSFSRGMCAMR-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190479187 455328178 /nfs/dbraw/zinc/32/81/78/455328178.db2.gz UWPPSFSRGMCAMR-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190479187 455328182 /nfs/dbraw/zinc/32/81/82/455328182.db2.gz UWPPSFSRGMCAMR-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000246132824 455433124 /nfs/dbraw/zinc/43/31/24/455433124.db2.gz KXNVKMDYCWFUAB-LEWJYISDSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000246132824 455433128 /nfs/dbraw/zinc/43/31/28/455433128.db2.gz KXNVKMDYCWFUAB-LEWJYISDSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000246132824 455433134 /nfs/dbraw/zinc/43/31/34/455433134.db2.gz KXNVKMDYCWFUAB-LEWJYISDSA-N 2 2 338.499 3.390 10 0 EGAELP CCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000246132824 455433139 /nfs/dbraw/zinc/43/31/39/455433139.db2.gz KXNVKMDYCWFUAB-LEWJYISDSA-N 2 2 338.499 3.390 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000246300847 455466547 /nfs/dbraw/zinc/46/65/47/455466547.db2.gz VGVSXTZBEDPTJA-HHXXYDBFSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000246300847 455466551 /nfs/dbraw/zinc/46/65/51/455466551.db2.gz VGVSXTZBEDPTJA-HHXXYDBFSA-N 2 2 330.497 3.066 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068329 455554372 /nfs/dbraw/zinc/55/43/72/455554372.db2.gz PPIRHGFCQFVTCZ-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068329 455554375 /nfs/dbraw/zinc/55/43/75/455554375.db2.gz PPIRHGFCQFVTCZ-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068329 455554377 /nfs/dbraw/zinc/55/43/77/455554377.db2.gz PPIRHGFCQFVTCZ-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000247068329 455554378 /nfs/dbraw/zinc/55/43/78/455554378.db2.gz PPIRHGFCQFVTCZ-SWLSCSKDSA-N 2 2 326.282 3.006 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119102 455562017 /nfs/dbraw/zinc/56/20/17/455562017.db2.gz AJMKMMKJQHKWJU-XJKSGUPXSA-N 2 2 346.862 3.306 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119102 455562023 /nfs/dbraw/zinc/56/20/23/455562023.db2.gz AJMKMMKJQHKWJU-XJKSGUPXSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119102 455562027 /nfs/dbraw/zinc/56/20/27/455562027.db2.gz AJMKMMKJQHKWJU-XJKSGUPXSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119102 455562031 /nfs/dbraw/zinc/56/20/31/455562031.db2.gz AJMKMMKJQHKWJU-XJKSGUPXSA-N 2 2 346.862 3.306 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266973 455613779 /nfs/dbraw/zinc/61/37/79/455613779.db2.gz ZDXJBJPAKACJMJ-LAUBAEHRSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292266973 455613783 /nfs/dbraw/zinc/61/37/83/455613783.db2.gz ZDXJBJPAKACJMJ-LAUBAEHRSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266973 455613785 /nfs/dbraw/zinc/61/37/85/455613785.db2.gz ZDXJBJPAKACJMJ-LAUBAEHRSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292266973 455613787 /nfs/dbraw/zinc/61/37/87/455613787.db2.gz ZDXJBJPAKACJMJ-LAUBAEHRSA-N 2 2 343.515 3.473 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247743700 455642355 /nfs/dbraw/zinc/64/23/55/455642355.db2.gz XLMOXJMQKPPNOZ-IEBWSBKVSA-N 2 2 341.455 3.387 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247743700 455642361 /nfs/dbraw/zinc/64/23/61/455642361.db2.gz XLMOXJMQKPPNOZ-IEBWSBKVSA-N 2 2 341.455 3.387 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000248128200 455683595 /nfs/dbraw/zinc/68/35/95/455683595.db2.gz ODVMJPVCHNYNHQ-YOEHRIQHSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000248128200 455683596 /nfs/dbraw/zinc/68/35/96/455683596.db2.gz ODVMJPVCHNYNHQ-YOEHRIQHSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000248128200 455683600 /nfs/dbraw/zinc/68/36/00/455683600.db2.gz ODVMJPVCHNYNHQ-YOEHRIQHSA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000248128200 455683603 /nfs/dbraw/zinc/68/36/03/455683603.db2.gz ODVMJPVCHNYNHQ-YOEHRIQHSA-N 2 2 335.879 3.003 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186443400 455769993 /nfs/dbraw/zinc/76/99/93/455769993.db2.gz PQDYOELGQWNSNU-YSIASYRMSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186443400 455770001 /nfs/dbraw/zinc/77/00/01/455770001.db2.gz PQDYOELGQWNSNU-YSIASYRMSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606541007 460694621 /nfs/dbraw/zinc/69/46/21/460694621.db2.gz WBIKSBYPHNDWFB-LPHOPBHVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252517885 455819676 /nfs/dbraw/zinc/81/96/76/455819676.db2.gz UFSQYAYYNFJFMZ-VWWARQNISA-N 2 2 327.516 3.427 10 0 EGAELP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252517885 455819682 /nfs/dbraw/zinc/81/96/82/455819682.db2.gz UFSQYAYYNFJFMZ-VWWARQNISA-N 2 2 327.516 3.427 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OC1CC1 ZINC000623729345 460695008 /nfs/dbraw/zinc/69/50/08/460695008.db2.gz YYQGIFUOGJJMQY-QGZVFWFLSA-N 2 2 330.472 3.343 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OC1CC1 ZINC000623729345 460695012 /nfs/dbraw/zinc/69/50/12/460695012.db2.gz YYQGIFUOGJJMQY-QGZVFWFLSA-N 2 2 330.472 3.343 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000280082108 455886522 /nfs/dbraw/zinc/88/65/22/455886522.db2.gz ACGXVPGYTYWLGH-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000280082108 455886528 /nfs/dbraw/zinc/88/65/28/455886528.db2.gz ACGXVPGYTYWLGH-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541007 460694601 /nfs/dbraw/zinc/69/46/01/460694601.db2.gz WBIKSBYPHNDWFB-LPHOPBHVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541007 460694609 /nfs/dbraw/zinc/69/46/09/460694609.db2.gz WBIKSBYPHNDWFB-LPHOPBHVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606541007 460694612 /nfs/dbraw/zinc/69/46/12/460694612.db2.gz WBIKSBYPHNDWFB-LPHOPBHVSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581160 460700082 /nfs/dbraw/zinc/70/00/82/460700082.db2.gz SNJJHXCRGOCPJM-CRAIPNDOSA-N 2 2 349.438 3.291 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581160 460700087 /nfs/dbraw/zinc/70/00/87/460700087.db2.gz SNJJHXCRGOCPJM-CRAIPNDOSA-N 2 2 349.438 3.291 10 0 EGAELP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620621169 460708842 /nfs/dbraw/zinc/70/88/42/460708842.db2.gz HDCIHUXDNXUIHU-QGZVFWFLSA-N 2 2 342.487 3.168 10 0 EGAELP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620621169 460708847 /nfs/dbraw/zinc/70/88/47/460708847.db2.gz HDCIHUXDNXUIHU-QGZVFWFLSA-N 2 2 342.487 3.168 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515946 455976391 /nfs/dbraw/zinc/97/63/91/455976391.db2.gz BZXRNPBRAIAPSZ-UONOGXRCSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515946 455976395 /nfs/dbraw/zinc/97/63/95/455976395.db2.gz BZXRNPBRAIAPSZ-UONOGXRCSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202139 455999895 /nfs/dbraw/zinc/99/98/95/455999895.db2.gz RJAJSPOVCVYCMR-LDQXTDLNSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202139 455999901 /nfs/dbraw/zinc/99/99/01/455999901.db2.gz RJAJSPOVCVYCMR-LDQXTDLNSA-N 2 2 347.466 3.363 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000229474796 456127812 /nfs/dbraw/zinc/12/78/12/456127812.db2.gz BNGMMZHJTADOKZ-RTBURBONSA-N 2 2 340.471 3.048 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000229474796 456127820 /nfs/dbraw/zinc/12/78/20/456127820.db2.gz BNGMMZHJTADOKZ-RTBURBONSA-N 2 2 340.471 3.048 10 0 EGAELP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865351 456161271 /nfs/dbraw/zinc/16/12/71/456161271.db2.gz WBZMJLMLPOCTAI-ZIAGYGMSSA-N 2 2 346.500 3.109 10 0 EGAELP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865351 456161275 /nfs/dbraw/zinc/16/12/75/456161275.db2.gz WBZMJLMLPOCTAI-ZIAGYGMSSA-N 2 2 346.500 3.109 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CCCC[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000333109731 456162700 /nfs/dbraw/zinc/16/27/00/456162700.db2.gz GEASMSQHYLVPMI-CVEARBPZSA-N 2 2 345.491 3.032 10 0 EGAELP Cc1nc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)cs1 ZINC000275854416 456333440 /nfs/dbraw/zinc/33/34/40/456333440.db2.gz XCBZGWGQVLLHAL-HNNXBMFYSA-N 2 2 348.541 3.395 10 0 EGAELP Cc1nc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)cs1 ZINC000275854416 456333445 /nfs/dbraw/zinc/33/34/45/456333445.db2.gz XCBZGWGQVLLHAL-HNNXBMFYSA-N 2 2 348.541 3.395 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000281971436 456378462 /nfs/dbraw/zinc/37/84/62/456378462.db2.gz GXPAGMPOBSTUQB-HNNXBMFYSA-N 2 2 326.444 3.003 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048555 456399908 /nfs/dbraw/zinc/39/99/08/456399908.db2.gz LXWNAMCKJFBBGO-QFBILLFUSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048555 456399915 /nfs/dbraw/zinc/39/99/15/456399915.db2.gz LXWNAMCKJFBBGO-QFBILLFUSA-N 2 2 343.446 3.272 10 0 EGAELP C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000276179714 456406791 /nfs/dbraw/zinc/40/67/91/456406791.db2.gz GLXHCWWLAYGEGC-HNNXBMFYSA-N 2 2 336.443 3.041 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000340462331 456473873 /nfs/dbraw/zinc/47/38/73/456473873.db2.gz LKAWVLOZOUYJDW-IBGZPJMESA-N 2 2 345.466 3.135 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000340462331 456473881 /nfs/dbraw/zinc/47/38/81/456473881.db2.gz LKAWVLOZOUYJDW-IBGZPJMESA-N 2 2 345.466 3.135 10 0 EGAELP CC1CC[NH+](CCCC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000340462331 456473888 /nfs/dbraw/zinc/47/38/88/456473888.db2.gz LKAWVLOZOUYJDW-IBGZPJMESA-N 2 2 345.466 3.135 10 0 EGAELP Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000353104574 456492333 /nfs/dbraw/zinc/49/23/33/456492333.db2.gz FUJNPAGDYQSCFZ-OAHLLOKOSA-N 2 2 325.437 3.336 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000348270832 456586636 /nfs/dbraw/zinc/58/66/36/456586636.db2.gz ZAZMHOIBDBPBJN-KSSFIOAISA-N 2 2 328.460 3.087 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000348270832 456586644 /nfs/dbraw/zinc/58/66/44/456586644.db2.gz ZAZMHOIBDBPBJN-KSSFIOAISA-N 2 2 328.460 3.087 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494676 456629642 /nfs/dbraw/zinc/62/96/42/456629642.db2.gz VPVHYTFVLMLSKZ-UKRRQHHQSA-N 2 2 338.879 3.321 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494676 456629648 /nfs/dbraw/zinc/62/96/48/456629648.db2.gz VPVHYTFVLMLSKZ-UKRRQHHQSA-N 2 2 338.879 3.321 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321004172 456634074 /nfs/dbraw/zinc/63/40/74/456634074.db2.gz OFWNYEVRJXVORS-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321004172 456634082 /nfs/dbraw/zinc/63/40/82/456634082.db2.gz OFWNYEVRJXVORS-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107535 456645060 /nfs/dbraw/zinc/64/50/60/456645060.db2.gz NSVQTMVDCMDWPR-HOCLYGCPSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107535 456645064 /nfs/dbraw/zinc/64/50/64/456645064.db2.gz NSVQTMVDCMDWPR-HOCLYGCPSA-N 2 2 335.879 3.051 10 0 EGAELP C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291566730 456682252 /nfs/dbraw/zinc/68/22/52/456682252.db2.gz NNSURHRRXBJBIW-YIONKMFJSA-N 2 2 328.378 3.468 10 0 EGAELP C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291566730 456682260 /nfs/dbraw/zinc/68/22/60/456682260.db2.gz NNSURHRRXBJBIW-YIONKMFJSA-N 2 2 328.378 3.468 10 0 EGAELP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291566730 456682270 /nfs/dbraw/zinc/68/22/70/456682270.db2.gz NNSURHRRXBJBIW-YIONKMFJSA-N 2 2 328.378 3.468 10 0 EGAELP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291566730 456682279 /nfs/dbraw/zinc/68/22/79/456682279.db2.gz NNSURHRRXBJBIW-YIONKMFJSA-N 2 2 328.378 3.468 10 0 EGAELP Cc1nc2[nH]ccc2c(NCc2ccccc2C[NH+]2CCCCC2)[nH+]1 ZINC000348702796 456821701 /nfs/dbraw/zinc/82/17/01/456821701.db2.gz BXOFTCDJDSTXTR-UHFFFAOYSA-N 2 2 335.455 3.286 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072470 456846459 /nfs/dbraw/zinc/84/64/59/456846459.db2.gz DSURQKCHDCKZRL-LMNJBCLMSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072470 456846463 /nfs/dbraw/zinc/84/64/63/456846463.db2.gz DSURQKCHDCKZRL-LMNJBCLMSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072470 456846468 /nfs/dbraw/zinc/84/64/68/456846468.db2.gz DSURQKCHDCKZRL-LMNJBCLMSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292072470 456846473 /nfs/dbraw/zinc/84/64/73/456846473.db2.gz DSURQKCHDCKZRL-LMNJBCLMSA-N 2 2 343.515 3.060 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144762 456867962 /nfs/dbraw/zinc/86/79/62/456867962.db2.gz MWERSQSMDKKPHS-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144762 456867966 /nfs/dbraw/zinc/86/79/66/456867966.db2.gz MWERSQSMDKKPHS-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292144762 456867970 /nfs/dbraw/zinc/86/79/70/456867970.db2.gz MWERSQSMDKKPHS-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292144762 456867972 /nfs/dbraw/zinc/86/79/72/456867972.db2.gz MWERSQSMDKKPHS-IFXJQAMLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1nn2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745652 456885462 /nfs/dbraw/zinc/88/54/62/456885462.db2.gz KJCSWJXIKPKKLY-JSGCOSHPSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745652 456885466 /nfs/dbraw/zinc/88/54/66/456885466.db2.gz KJCSWJXIKPKKLY-JSGCOSHPSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745652 456885470 /nfs/dbraw/zinc/88/54/70/456885470.db2.gz KJCSWJXIKPKKLY-JSGCOSHPSA-N 2 2 335.521 3.137 10 0 EGAELP Cc1nn2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000353745652 456885474 /nfs/dbraw/zinc/88/54/74/456885474.db2.gz KJCSWJXIKPKKLY-JSGCOSHPSA-N 2 2 335.521 3.137 10 0 EGAELP CC(C[NH+]1CCCC[C@@]1(C)C(N)=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000330844592 457092671 /nfs/dbraw/zinc/09/26/71/457092671.db2.gz JTXCNEXFIVUWBT-ROUUACIJSA-N 2 2 338.496 3.182 10 0 EGAELP CC(C[NH+]1CCCC[C@@]1(C)C(N)=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000330844592 457092674 /nfs/dbraw/zinc/09/26/74/457092674.db2.gz JTXCNEXFIVUWBT-ROUUACIJSA-N 2 2 338.496 3.182 10 0 EGAELP COc1cccc(N2CC[C@@H](C[NH2+]CCCc3ccc(C)[nH+]c3)C2)c1 ZINC000354159169 457100653 /nfs/dbraw/zinc/10/06/53/457100653.db2.gz SXWHBCLCLRBUCE-IBGZPJMESA-N 2 2 339.483 3.447 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661588 457198956 /nfs/dbraw/zinc/19/89/56/457198956.db2.gz PVOLUZOJKICSGW-MRXNPFEDSA-N 2 2 342.487 3.114 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661588 457198959 /nfs/dbraw/zinc/19/89/59/457198959.db2.gz PVOLUZOJKICSGW-MRXNPFEDSA-N 2 2 342.487 3.114 10 0 EGAELP CC[C@H]1C[C@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000356912287 457215247 /nfs/dbraw/zinc/21/52/47/457215247.db2.gz FQAOPIHYCXLFSB-MSOLQXFVSA-N 2 2 346.519 3.236 10 0 EGAELP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000339816115 457287931 /nfs/dbraw/zinc/28/79/31/457287931.db2.gz DSLRZSXJGYTMQL-LJQANCHMSA-N 2 2 325.456 3.105 10 0 EGAELP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000339816115 457287939 /nfs/dbraw/zinc/28/79/39/457287939.db2.gz DSLRZSXJGYTMQL-LJQANCHMSA-N 2 2 325.456 3.105 10 0 EGAELP COCc1noc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000342413765 457290425 /nfs/dbraw/zinc/29/04/25/457290425.db2.gz BDCCYJWZULNNAF-OAHLLOKOSA-N 2 2 344.459 3.053 10 0 EGAELP Cn1cc[nH+]c1CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000347327529 457354132 /nfs/dbraw/zinc/35/41/32/457354132.db2.gz AUMRGRPVQDXLTI-SFHVURJKSA-N 2 2 348.441 3.404 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2F)CC1 ZINC000342686252 457457097 /nfs/dbraw/zinc/45/70/97/457457097.db2.gz AILAQPCXOGRBLB-SFHVURJKSA-N 2 2 336.451 3.094 10 0 EGAELP C[S@](=O)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000360972434 457478252 /nfs/dbraw/zinc/47/82/52/457478252.db2.gz ACJNBECKYUUEBH-HXOBKFHXSA-N 2 2 345.493 3.143 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398008453 457495353 /nfs/dbraw/zinc/49/53/53/457495353.db2.gz BVPNCEQZZAPRFS-YLJYHZDGSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398008453 457495358 /nfs/dbraw/zinc/49/53/58/457495358.db2.gz BVPNCEQZZAPRFS-YLJYHZDGSA-N 2 2 326.488 3.464 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011624 457511681 /nfs/dbraw/zinc/51/16/81/457511681.db2.gz FUMWHKJKDPNPPN-HIFRSBDPSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011624 457511687 /nfs/dbraw/zinc/51/16/87/457511687.db2.gz FUMWHKJKDPNPPN-HIFRSBDPSA-N 2 2 346.393 3.347 10 0 EGAELP Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cc1 ZINC000374209545 457523833 /nfs/dbraw/zinc/52/38/33/457523833.db2.gz CHDGTYVFZKOGSF-IBGZPJMESA-N 2 2 338.455 3.093 10 0 EGAELP Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000374209545 457523840 /nfs/dbraw/zinc/52/38/40/457523840.db2.gz CHDGTYVFZKOGSF-IBGZPJMESA-N 2 2 338.455 3.093 10 0 EGAELP Cc1cc(F)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)c1 ZINC000425380889 457529048 /nfs/dbraw/zinc/52/90/48/457529048.db2.gz LVFXXMDQKZNHSG-SJPCQFCGSA-N 2 2 349.469 3.016 10 0 EGAELP Cc1cc(F)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(F)c1 ZINC000425380889 457529055 /nfs/dbraw/zinc/52/90/55/457529055.db2.gz LVFXXMDQKZNHSG-SJPCQFCGSA-N 2 2 349.469 3.016 10 0 EGAELP CCCCOC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374305351 457577532 /nfs/dbraw/zinc/57/75/32/457577532.db2.gz IVOZRWJVJSFXLL-INIZCTEOSA-N 2 2 333.476 3.132 10 0 EGAELP CCCCOC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374305351 457577535 /nfs/dbraw/zinc/57/75/35/457577535.db2.gz IVOZRWJVJSFXLL-INIZCTEOSA-N 2 2 333.476 3.132 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000361232413 457659798 /nfs/dbraw/zinc/65/97/98/457659798.db2.gz OAILSXRCXLUDPE-LJQANCHMSA-N 2 2 349.434 3.453 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000361232413 457659800 /nfs/dbraw/zinc/65/98/00/457659800.db2.gz OAILSXRCXLUDPE-LJQANCHMSA-N 2 2 349.434 3.453 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)cc2OC)CC1 ZINC000361528593 457773856 /nfs/dbraw/zinc/77/38/56/457773856.db2.gz ASIAOUPHCYWKDO-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP COC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000358200596 457856317 /nfs/dbraw/zinc/85/63/17/457856317.db2.gz JBGQHZXOXBMXBH-GOSISDBHSA-N 2 2 329.419 3.167 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000411519121 457908791 /nfs/dbraw/zinc/90/87/91/457908791.db2.gz REPMYFMHXUSKAJ-RDJZCZTQSA-N 2 2 345.487 3.001 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000411519121 457908798 /nfs/dbraw/zinc/90/87/98/457908798.db2.gz REPMYFMHXUSKAJ-RDJZCZTQSA-N 2 2 345.487 3.001 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000361947710 457971580 /nfs/dbraw/zinc/97/15/80/457971580.db2.gz YHYJPPSTALXWQE-LLVKDONJSA-N 2 2 326.263 3.234 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000361947710 457971584 /nfs/dbraw/zinc/97/15/84/457971584.db2.gz YHYJPPSTALXWQE-LLVKDONJSA-N 2 2 326.263 3.234 10 0 EGAELP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368104960 458010743 /nfs/dbraw/zinc/01/07/43/458010743.db2.gz MELJRDDLUINTFP-JLAWEPINSA-N 3 2 338.499 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368104960 458010749 /nfs/dbraw/zinc/01/07/49/458010749.db2.gz MELJRDDLUINTFP-JLAWEPINSA-N 3 2 338.499 3.300 10 0 EGAELP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368104960 458010755 /nfs/dbraw/zinc/01/07/55/458010755.db2.gz MELJRDDLUINTFP-JLAWEPINSA-N 3 2 338.499 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368104960 458010762 /nfs/dbraw/zinc/01/07/62/458010762.db2.gz MELJRDDLUINTFP-JLAWEPINSA-N 3 2 338.499 3.300 10 0 EGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427895742 458047524 /nfs/dbraw/zinc/04/75/24/458047524.db2.gz UHONKCDTXUXIJV-UKRRQHHQSA-N 2 2 335.398 3.410 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cnc(C)cn1 ZINC000428240305 458104369 /nfs/dbraw/zinc/10/43/69/458104369.db2.gz RUTZMRSOXUQOID-QGZVFWFLSA-N 2 2 339.487 3.480 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cnc(C)cn1 ZINC000428240305 458104375 /nfs/dbraw/zinc/10/43/75/458104375.db2.gz RUTZMRSOXUQOID-QGZVFWFLSA-N 2 2 339.487 3.480 10 0 EGAELP O[C@H]([C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973881 458253120 /nfs/dbraw/zinc/25/31/20/458253120.db2.gz FTPNUYMCGNQIHW-SMDDNHRTSA-N 2 2 345.390 3.069 10 0 EGAELP O[C@H]([C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973881 458253123 /nfs/dbraw/zinc/25/31/23/458253123.db2.gz FTPNUYMCGNQIHW-SMDDNHRTSA-N 2 2 345.390 3.069 10 0 EGAELP c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447514273 458302885 /nfs/dbraw/zinc/30/28/85/458302885.db2.gz COEXDPLMWDMJBT-IBGZPJMESA-N 2 2 326.440 3.279 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539475 458308302 /nfs/dbraw/zinc/30/83/02/458308302.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000447539475 458308308 /nfs/dbraw/zinc/30/83/08/458308308.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539475 458308312 /nfs/dbraw/zinc/30/83/12/458308312.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539475 458308316 /nfs/dbraw/zinc/30/83/16/458308316.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 3 2 327.516 3.254 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799575 458372999 /nfs/dbraw/zinc/37/29/99/458372999.db2.gz OYTXDUAIPXYATO-PKOBYXMFSA-N 2 2 337.552 3.125 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799575 458373003 /nfs/dbraw/zinc/37/30/03/458373003.db2.gz OYTXDUAIPXYATO-PKOBYXMFSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799575 458373007 /nfs/dbraw/zinc/37/30/07/458373007.db2.gz OYTXDUAIPXYATO-PKOBYXMFSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799575 458373011 /nfs/dbraw/zinc/37/30/11/458373011.db2.gz OYTXDUAIPXYATO-PKOBYXMFSA-N 2 2 337.552 3.125 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423465738 458436730 /nfs/dbraw/zinc/43/67/30/458436730.db2.gz NBFFEHYLVDFHKK-ZIBATOQPSA-N 2 2 329.282 3.480 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCCC(C)C ZINC000377771861 458520369 /nfs/dbraw/zinc/52/03/69/458520369.db2.gz DRJHAWHMQYYKSD-INIZCTEOSA-N 2 2 343.471 3.490 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCCC(C)C ZINC000377771861 458520373 /nfs/dbraw/zinc/52/03/73/458520373.db2.gz DRJHAWHMQYYKSD-INIZCTEOSA-N 2 2 343.471 3.490 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C2 ZINC000373535718 458521960 /nfs/dbraw/zinc/52/19/60/458521960.db2.gz SSEVCKXTQJMYQG-HNNXBMFYSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)CC2 ZINC000373535718 458521977 /nfs/dbraw/zinc/52/19/77/458521977.db2.gz SSEVCKXTQJMYQG-HNNXBMFYSA-N 2 2 340.471 3.338 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311197 458612193 /nfs/dbraw/zinc/61/21/93/458612193.db2.gz KSAAWIYYRADXQB-HGJUEJDCSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311197 458612198 /nfs/dbraw/zinc/61/21/98/458612198.db2.gz KSAAWIYYRADXQB-HGJUEJDCSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431801673 458626421 /nfs/dbraw/zinc/62/64/21/458626421.db2.gz SMRWLPLFNDXDCW-WMZOPIPTSA-N 2 2 349.544 3.218 10 0 EGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431801673 458626427 /nfs/dbraw/zinc/62/64/27/458626427.db2.gz SMRWLPLFNDXDCW-WMZOPIPTSA-N 2 2 349.544 3.218 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215498 458720158 /nfs/dbraw/zinc/72/01/58/458720158.db2.gz GQZPCCFNESNERN-JSXRDJHFSA-N 3 2 339.527 3.161 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215498 458720165 /nfs/dbraw/zinc/72/01/65/458720165.db2.gz GQZPCCFNESNERN-JSXRDJHFSA-N 3 2 339.527 3.161 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+]Cc2ncc(-c3ccccc3)s2)CCCO1 ZINC000432351693 458722283 /nfs/dbraw/zinc/72/22/83/458722283.db2.gz PQXRUYSUDONAOR-INIZCTEOSA-N 2 2 345.512 3.401 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ncc(-c3ccccc3)s2)CCCO1 ZINC000432351693 458722288 /nfs/dbraw/zinc/72/22/88/458722288.db2.gz PQXRUYSUDONAOR-INIZCTEOSA-N 2 2 345.512 3.401 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000474800939 458901990 /nfs/dbraw/zinc/90/19/90/458901990.db2.gz WADPVEUIFNPFEM-PMACEKPBSA-N 2 2 334.479 3.246 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000441384703 458933262 /nfs/dbraw/zinc/93/32/62/458933262.db2.gz NBLRFPVPSYSRGB-SJLPKXTDSA-N 2 2 342.487 3.134 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000566741470 458993784 /nfs/dbraw/zinc/99/37/84/458993784.db2.gz ZBASGHYXRICORC-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000566741470 458993792 /nfs/dbraw/zinc/99/37/92/458993792.db2.gz ZBASGHYXRICORC-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP CC(C)[C@@H]1CC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000556893418 459028069 /nfs/dbraw/zinc/02/80/69/459028069.db2.gz ZQWOGFBNYRQAOD-IRXDYDNUSA-N 2 2 342.487 3.284 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200821 459046228 /nfs/dbraw/zinc/04/62/28/459046228.db2.gz CEQJZAFNBIRDLB-DYESRHJHSA-N 2 2 335.495 3.289 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200821 459046236 /nfs/dbraw/zinc/04/62/36/459046236.db2.gz CEQJZAFNBIRDLB-DYESRHJHSA-N 2 2 335.495 3.289 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000567236008 459071570 /nfs/dbraw/zinc/07/15/70/459071570.db2.gz AOEDQAJQVSTLQE-SFHVURJKSA-N 2 2 343.858 3.227 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000567236008 459071574 /nfs/dbraw/zinc/07/15/74/459071574.db2.gz AOEDQAJQVSTLQE-SFHVURJKSA-N 2 2 343.858 3.227 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205670 459080550 /nfs/dbraw/zinc/08/05/50/459080550.db2.gz LELXVUHRQVBRQE-HSMVNMDESA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205670 459080556 /nfs/dbraw/zinc/08/05/56/459080556.db2.gz LELXVUHRQVBRQE-HSMVNMDESA-N 2 2 328.287 3.112 10 0 EGAELP CC(C)c1ncc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000443072019 459084935 /nfs/dbraw/zinc/08/49/35/459084935.db2.gz UEKUEZFBXJDTJN-UHFFFAOYSA-N 2 2 327.457 3.479 10 0 EGAELP CC(C)c1ncc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000443072019 459084941 /nfs/dbraw/zinc/08/49/41/459084941.db2.gz UEKUEZFBXJDTJN-UHFFFAOYSA-N 2 2 327.457 3.479 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)o1 ZINC000594608154 459110541 /nfs/dbraw/zinc/11/05/41/459110541.db2.gz IXOSKQHHYNLQQR-GOSISDBHSA-N 2 2 342.439 3.129 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)o1 ZINC000594608154 459110543 /nfs/dbraw/zinc/11/05/43/459110543.db2.gz IXOSKQHHYNLQQR-GOSISDBHSA-N 2 2 342.439 3.129 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)n1C ZINC000594944751 459187976 /nfs/dbraw/zinc/18/79/76/459187976.db2.gz BRSGOXFVKNGPQQ-QZTJIDSGSA-N 2 2 341.455 3.388 10 0 EGAELP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000578449477 459202941 /nfs/dbraw/zinc/20/29/41/459202941.db2.gz YSWFXHBPTRELCC-KRWDZBQOSA-N 2 2 337.471 3.430 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595008478 459213933 /nfs/dbraw/zinc/21/39/33/459213933.db2.gz UITNVOYIAKRLPN-AEFFLSMTSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595008478 459213939 /nfs/dbraw/zinc/21/39/39/459213939.db2.gz UITNVOYIAKRLPN-AEFFLSMTSA-N 2 2 332.488 3.218 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794391 459219442 /nfs/dbraw/zinc/21/94/42/459219442.db2.gz JALCZYSETDFXLA-CEWLAPEOSA-N 3 2 329.532 3.361 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794391 459219449 /nfs/dbraw/zinc/21/94/49/459219449.db2.gz JALCZYSETDFXLA-CEWLAPEOSA-N 3 2 329.532 3.361 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591081854 459307745 /nfs/dbraw/zinc/30/77/45/459307745.db2.gz ANKSLAYNCPKHGU-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591081854 459307750 /nfs/dbraw/zinc/30/77/50/459307750.db2.gz ANKSLAYNCPKHGU-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081394 459308528 /nfs/dbraw/zinc/30/85/28/459308528.db2.gz AXOOKFYAMXKHHU-HZPDHXFCSA-N 2 2 349.438 3.095 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081394 459308532 /nfs/dbraw/zinc/30/85/32/459308532.db2.gz AXOOKFYAMXKHHU-HZPDHXFCSA-N 2 2 349.438 3.095 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000560558395 459374334 /nfs/dbraw/zinc/37/43/34/459374334.db2.gz AWKZWTPSZCSCAI-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc2ccccc21 ZINC000569919615 459530652 /nfs/dbraw/zinc/53/06/52/459530652.db2.gz GJKKWTWMZYGUKP-PBGAUENZSA-N 2 2 339.483 3.265 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)[nH+]c1 ZINC000497411610 459533207 /nfs/dbraw/zinc/53/32/07/459533207.db2.gz QJRAZPHZSPKWJK-QXAKKESOSA-N 2 2 329.488 3.235 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000563217564 459741566 /nfs/dbraw/zinc/74/15/66/459741566.db2.gz NPRXMMQODWRGEM-LSDHHAIUSA-N 2 2 337.427 3.206 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)s2)cn1 ZINC000527806750 459744041 /nfs/dbraw/zinc/74/40/41/459744041.db2.gz FHYKTPWZWAAIED-MRXNPFEDSA-N 2 2 330.501 3.255 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)s2)cn1 ZINC000527806750 459744045 /nfs/dbraw/zinc/74/40/45/459744045.db2.gz FHYKTPWZWAAIED-MRXNPFEDSA-N 2 2 330.501 3.255 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003444 459793345 /nfs/dbraw/zinc/79/33/45/459793345.db2.gz SJSJNQUEBJLKAF-BEFAXECRSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003444 459793348 /nfs/dbraw/zinc/79/33/48/459793348.db2.gz SJSJNQUEBJLKAF-BEFAXECRSA-N 2 2 329.488 3.056 10 0 EGAELP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1Br ZINC000545860158 459864372 /nfs/dbraw/zinc/86/43/72/459864372.db2.gz USSISELZWYJYKR-UHFFFAOYSA-N 2 2 339.277 3.199 10 0 EGAELP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1Br ZINC000545860158 459864378 /nfs/dbraw/zinc/86/43/78/459864378.db2.gz USSISELZWYJYKR-UHFFFAOYSA-N 2 2 339.277 3.199 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574881629 459887497 /nfs/dbraw/zinc/88/74/97/459887497.db2.gz WPKAIWOMROTOKO-HXUWFJFHSA-N 2 2 337.423 3.090 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690834 459971681 /nfs/dbraw/zinc/97/16/81/459971681.db2.gz JINGKJVIDJHZIA-AZUAARDMSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690834 459971685 /nfs/dbraw/zinc/97/16/85/459971685.db2.gz JINGKJVIDJHZIA-AZUAARDMSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690834 459971690 /nfs/dbraw/zinc/97/16/90/459971690.db2.gz JINGKJVIDJHZIA-AZUAARDMSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690834 459971693 /nfs/dbraw/zinc/97/16/93/459971693.db2.gz JINGKJVIDJHZIA-AZUAARDMSA-N 2 2 326.484 3.481 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717503 460022841 /nfs/dbraw/zinc/02/28/41/460022841.db2.gz GNWFIYCNSNMUKQ-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717503 460022849 /nfs/dbraw/zinc/02/28/49/460022849.db2.gz GNWFIYCNSNMUKQ-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717503 460022855 /nfs/dbraw/zinc/02/28/55/460022855.db2.gz GNWFIYCNSNMUKQ-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717503 460022861 /nfs/dbraw/zinc/02/28/61/460022861.db2.gz GNWFIYCNSNMUKQ-GHTZIAJQSA-N 2 2 340.515 3.288 10 0 EGAELP Cc1nn2c(C[NH2+][C@@H](C[NH3+])C3CCCCC3)c(C(C)C)nc2s1 ZINC000576089757 460066575 /nfs/dbraw/zinc/06/65/75/460066575.db2.gz DAWAPOYXPATBGT-AWEZNQCLSA-N 2 2 335.521 3.220 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622044032 460169743 /nfs/dbraw/zinc/16/97/43/460169743.db2.gz SCSCIEDGBREGBK-BBRMVZONSA-N 2 2 342.405 3.441 10 0 EGAELP CC[C@H](OCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000625960650 460316481 /nfs/dbraw/zinc/31/64/81/460316481.db2.gz VCVACZPEKSKSKR-FQEVSTJZSA-N 2 2 346.515 3.341 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771074 460439221 /nfs/dbraw/zinc/43/92/21/460439221.db2.gz MFHFCXDWSWPTLK-IUODEOHRSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771074 460439225 /nfs/dbraw/zinc/43/92/25/460439225.db2.gz MFHFCXDWSWPTLK-IUODEOHRSA-N 2 2 343.393 3.106 10 0 EGAELP Fc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1OCC(F)(F)F ZINC000623344839 460501434 /nfs/dbraw/zinc/50/14/34/460501434.db2.gz FJBYQDZFHMRALT-UHFFFAOYSA-N 2 2 346.368 3.483 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623375979 460517087 /nfs/dbraw/zinc/51/70/87/460517087.db2.gz BCHPBYHAYXAUDQ-INIZCTEOSA-N 3 2 330.451 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623375979 460517092 /nfs/dbraw/zinc/51/70/92/460517092.db2.gz BCHPBYHAYXAUDQ-INIZCTEOSA-N 3 2 330.451 3.282 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521690 /nfs/dbraw/zinc/52/16/90/460521690.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 3 2 335.561 3.423 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521696 /nfs/dbraw/zinc/52/16/96/460521696.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521702 /nfs/dbraw/zinc/52/17/02/460521702.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 3 2 335.561 3.423 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521706 /nfs/dbraw/zinc/52/17/06/460521706.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 3 2 335.561 3.423 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000634811358 460533282 /nfs/dbraw/zinc/53/32/82/460533282.db2.gz CKOPAOHMMMEWAA-OAHLLOKOSA-N 2 2 325.460 3.051 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@@H+]1C ZINC000623430447 460544885 /nfs/dbraw/zinc/54/48/85/460544885.db2.gz QDYYTBLCWMVUFN-WCQYABFASA-N 2 2 334.357 3.339 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@H+]1C ZINC000623430447 460544890 /nfs/dbraw/zinc/54/48/90/460544890.db2.gz QDYYTBLCWMVUFN-WCQYABFASA-N 2 2 334.357 3.339 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000629406179 460748018 /nfs/dbraw/zinc/74/80/18/460748018.db2.gz JWZCCMJUGQCCOM-QPUJVOFHSA-N 2 2 348.082 3.052 10 0 EGAELP CC[NH+](CC)CC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623867081 460752829 /nfs/dbraw/zinc/75/28/29/460752829.db2.gz QGSWEAJRXITNIM-UHFFFAOYSA-N 2 2 337.471 3.441 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@@H]2CCCCO2)CCOCC1)c1ccccc1 ZINC000623898086 460767491 /nfs/dbraw/zinc/76/74/91/460767491.db2.gz ZDKSAFREETXKPQ-BJLQDIEVSA-N 2 2 346.515 3.434 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1(C)C ZINC000623950466 460791571 /nfs/dbraw/zinc/79/15/71/460791571.db2.gz CCLMLSUVBZKMGX-MRXNPFEDSA-N 2 2 328.460 3.247 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1(C)C ZINC000623950466 460791577 /nfs/dbraw/zinc/79/15/77/460791577.db2.gz CCLMLSUVBZKMGX-MRXNPFEDSA-N 2 2 328.460 3.247 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCCO1 ZINC000623974972 460805869 /nfs/dbraw/zinc/80/58/69/460805869.db2.gz VHVSNJQLFBGNKV-TWRYWWQQSA-N 2 2 334.426 3.339 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629659624 460853155 /nfs/dbraw/zinc/85/31/55/460853155.db2.gz DDWCNUZSAKTAOG-SUMWQHHRSA-N 2 2 346.906 3.432 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660525 460854134 /nfs/dbraw/zinc/85/41/34/460854134.db2.gz VNGNINVHOZBBAZ-MLGOLLRUSA-N 2 2 332.879 3.373 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@@H]3CCCC[N@@H+]3C3CC3)n1)C2 ZINC000624160189 460890360 /nfs/dbraw/zinc/89/03/60/460890360.db2.gz HEJWZDFVYPHJRE-IBGZPJMESA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@@H]3CCCC[N@H+]3C3CC3)n1)C2 ZINC000624160189 460890365 /nfs/dbraw/zinc/89/03/65/460890365.db2.gz HEJWZDFVYPHJRE-IBGZPJMESA-N 2 2 349.482 3.426 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189444 460902256 /nfs/dbraw/zinc/90/22/56/460902256.db2.gz KWKJUPJKCLPWQP-LPHOPBHVSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189444 460902262 /nfs/dbraw/zinc/90/22/62/460902262.db2.gz KWKJUPJKCLPWQP-LPHOPBHVSA-N 2 2 329.488 3.319 10 0 EGAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000624189333 460903142 /nfs/dbraw/zinc/90/31/42/460903142.db2.gz FFLOKCPMVHCUEI-QAPCUYQASA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000624189333 460903151 /nfs/dbraw/zinc/90/31/51/460903151.db2.gz FFLOKCPMVHCUEI-QAPCUYQASA-N 2 2 345.487 3.019 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000617554725 460904813 /nfs/dbraw/zinc/90/48/13/460904813.db2.gz IROGVWSTLNKMCV-INIZCTEOSA-N 2 2 325.412 3.040 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000617554725 460904817 /nfs/dbraw/zinc/90/48/17/460904817.db2.gz IROGVWSTLNKMCV-INIZCTEOSA-N 2 2 325.412 3.040 10 0 EGAELP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000608069664 460975746 /nfs/dbraw/zinc/97/57/46/460975746.db2.gz DORPBXZMNRPGHI-KRWDZBQOSA-N 2 2 337.423 3.208 10 0 EGAELP Fc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652338071 461137862 /nfs/dbraw/zinc/13/78/62/461137862.db2.gz ZTULZJNLNCCTDM-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652338071 461137871 /nfs/dbraw/zinc/13/78/71/461137871.db2.gz ZTULZJNLNCCTDM-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662264651 461149951 /nfs/dbraw/zinc/14/99/51/461149951.db2.gz RYSPIJBQPMTNDG-GOEBONIOSA-N 2 2 331.485 3.100 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662264651 461149959 /nfs/dbraw/zinc/14/99/59/461149959.db2.gz RYSPIJBQPMTNDG-GOEBONIOSA-N 2 2 331.485 3.100 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)[nH]1 ZINC000637954363 461149947 /nfs/dbraw/zinc/14/99/47/461149947.db2.gz VYVKXFBNDRNGFC-MRXNPFEDSA-N 2 2 348.454 3.247 10 0 EGAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nnn(-c4ccccc4)c3C3CC3)C2)[nH]1 ZINC000637954363 461149956 /nfs/dbraw/zinc/14/99/56/461149956.db2.gz VYVKXFBNDRNGFC-MRXNPFEDSA-N 2 2 348.454 3.247 10 0 EGAELP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662280886 461163339 /nfs/dbraw/zinc/16/33/39/461163339.db2.gz GSJKVHBRFDPSTB-WOJBJXKFSA-N 2 2 340.467 3.002 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649568328 461181830 /nfs/dbraw/zinc/18/18/30/461181830.db2.gz XNOWCKHTRHSDRJ-GOSISDBHSA-N 2 2 335.455 3.152 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649568328 461181836 /nfs/dbraw/zinc/18/18/36/461181836.db2.gz XNOWCKHTRHSDRJ-GOSISDBHSA-N 2 2 335.455 3.152 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649585280 461195422 /nfs/dbraw/zinc/19/54/22/461195422.db2.gz RDJGYUNOZADAOU-IRXDYDNUSA-N 2 2 338.499 3.076 10 0 EGAELP CCC1([NH+](C)C)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000634124492 461428704 /nfs/dbraw/zinc/42/87/04/461428704.db2.gz HIEGSTMMWYAHEE-UHFFFAOYSA-N 2 2 326.444 3.023 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631045311 461497885 /nfs/dbraw/zinc/49/78/85/461497885.db2.gz VECWKYYKRARLQF-NEPJUHHUSA-N 2 2 344.684 3.214 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631045311 461497894 /nfs/dbraw/zinc/49/78/94/461497894.db2.gz VECWKYYKRARLQF-NEPJUHHUSA-N 2 2 344.684 3.214 10 0 EGAELP CC[N@@H+](Cc1nc(C)oc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973003 461524038 /nfs/dbraw/zinc/52/40/38/461524038.db2.gz KSXJHGAEJZKRMB-UHFFFAOYSA-N 2 2 328.460 3.425 10 0 EGAELP CC[N@H+](Cc1nc(C)oc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973003 461524050 /nfs/dbraw/zinc/52/40/50/461524050.db2.gz KSXJHGAEJZKRMB-UHFFFAOYSA-N 2 2 328.460 3.425 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ncnn2C(C)C)c(C)c1 ZINC000631099013 461550080 /nfs/dbraw/zinc/55/00/80/461550080.db2.gz HDDSOEGHNOUYMN-GOSISDBHSA-N 2 2 338.459 3.203 10 0 EGAELP CCn1nc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000647249400 461588597 /nfs/dbraw/zinc/58/85/97/461588597.db2.gz XPGZYKIROYRFGU-QUCCMNQESA-N 2 2 348.494 3.491 10 0 EGAELP CCn1nc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000647249400 461588609 /nfs/dbraw/zinc/58/86/09/461588609.db2.gz XPGZYKIROYRFGU-QUCCMNQESA-N 2 2 348.494 3.491 10 0 EGAELP C[N@@H+]1CCC[C@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@H]21 ZINC000656147363 461624490 /nfs/dbraw/zinc/62/44/90/461624490.db2.gz OEELVZBUTUIPFJ-DLBZAZTESA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CCC[C@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@H]21 ZINC000656147363 461624496 /nfs/dbraw/zinc/62/44/96/461624496.db2.gz OEELVZBUTUIPFJ-DLBZAZTESA-N 2 2 343.519 3.024 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149147 461624638 /nfs/dbraw/zinc/62/46/38/461624638.db2.gz WYTMJVGVGOCYOR-IAGOWNOFSA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149147 461624654 /nfs/dbraw/zinc/62/46/54/461624654.db2.gz WYTMJVGVGOCYOR-IAGOWNOFSA-N 2 2 343.519 3.024 10 0 EGAELP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCc1ccccc1-2 ZINC000663472850 461662387 /nfs/dbraw/zinc/66/23/87/461662387.db2.gz SSHPQLXSOIYZPP-IBGZPJMESA-N 2 2 336.483 3.324 10 0 EGAELP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCn4nccc43)CC2)cc1 ZINC000631298464 461700873 /nfs/dbraw/zinc/70/08/73/461700873.db2.gz KSSNHUNBFPCEAJ-IBGZPJMESA-N 2 2 342.462 3.154 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401275 461734568 /nfs/dbraw/zinc/73/45/68/461734568.db2.gz CJEWUDYKUFJKOD-RNQOJCNYSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401275 461734574 /nfs/dbraw/zinc/73/45/74/461734574.db2.gz CJEWUDYKUFJKOD-RNQOJCNYSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401275 461734580 /nfs/dbraw/zinc/73/45/80/461734580.db2.gz CJEWUDYKUFJKOD-RNQOJCNYSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401275 461734586 /nfs/dbraw/zinc/73/45/86/461734586.db2.gz CJEWUDYKUFJKOD-RNQOJCNYSA-N 2 2 339.508 3.486 10 0 EGAELP Cc1cccc2nc(C3CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC3)oc21 ZINC000660371807 461738621 /nfs/dbraw/zinc/73/86/21/461738621.db2.gz SYWDIUJSBILAMA-KRWDZBQOSA-N 2 2 345.487 3.017 10 0 EGAELP Cc1cccc2nc(C3CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC3)oc21 ZINC000660371807 461738625 /nfs/dbraw/zinc/73/86/25/461738625.db2.gz SYWDIUJSBILAMA-KRWDZBQOSA-N 2 2 345.487 3.017 10 0 EGAELP CC(C)OC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000656560082 461785624 /nfs/dbraw/zinc/78/56/24/461785624.db2.gz IRQWSKGVAULISI-KRWDZBQOSA-N 2 2 344.459 3.147 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2nsc3ccccc23)CC1 ZINC000660454449 461788654 /nfs/dbraw/zinc/78/86/54/461788654.db2.gz YRLHFLRBTMXEKQ-UHFFFAOYSA-N 2 2 340.452 3.022 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CC[C@H]2C2CCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000669848529 461815099 /nfs/dbraw/zinc/81/50/99/461815099.db2.gz CCGDQKDNYNNWBE-HBMCJLEFSA-N 2 2 328.500 3.182 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CC[C@H]2C2CCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669848529 461815103 /nfs/dbraw/zinc/81/51/03/461815103.db2.gz CCGDQKDNYNNWBE-HBMCJLEFSA-N 2 2 328.500 3.182 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@@]3(C)CC3(F)F)c2cc1C ZINC000656714532 461855075 /nfs/dbraw/zinc/85/50/75/461855075.db2.gz IVLFDQRUNGKIKM-PBHICJAKSA-N 2 2 337.414 3.039 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899728 461875190 /nfs/dbraw/zinc/87/51/90/461875190.db2.gz UFIIZVAXPDKWON-CKEIUWERSA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899728 461875194 /nfs/dbraw/zinc/87/51/94/461875194.db2.gz UFIIZVAXPDKWON-CKEIUWERSA-N 2 2 335.879 3.131 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901621 461876774 /nfs/dbraw/zinc/87/67/74/461876774.db2.gz RQKWEWSDLFCEQH-IRXDYDNUSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901621 461876780 /nfs/dbraw/zinc/87/67/80/461876780.db2.gz RQKWEWSDLFCEQH-IRXDYDNUSA-N 2 2 326.444 3.009 10 0 EGAELP CC1([NH3+])CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000647925828 461889296 /nfs/dbraw/zinc/88/92/96/461889296.db2.gz YYBPZZZBSRWFSA-UHFFFAOYSA-N 2 2 340.349 3.069 10 0 EGAELP COCC1([NH2+]CCCCCn2c(C)[nH+]c3ccccc32)CCOCC1 ZINC000660635406 461894639 /nfs/dbraw/zinc/89/46/39/461894639.db2.gz WAUOPEHDGVSGCH-UHFFFAOYSA-N 2 2 345.487 3.300 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000666983175 461898206 /nfs/dbraw/zinc/89/82/06/461898206.db2.gz YECWRBWUAZVYDI-FZKQIMNGSA-N 2 2 331.485 3.235 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000666983175 461898213 /nfs/dbraw/zinc/89/82/13/461898213.db2.gz YECWRBWUAZVYDI-FZKQIMNGSA-N 2 2 331.485 3.235 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788666 461898455 /nfs/dbraw/zinc/89/84/55/461898455.db2.gz DQZFPQIWNMWJQF-UYAOXDASSA-N 2 2 333.435 3.176 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2C)cc1F ZINC000656790996 461900825 /nfs/dbraw/zinc/90/08/25/461900825.db2.gz PASPGMASBSLYFM-HKUYNNGSSA-N 2 2 328.431 3.378 10 0 EGAELP CCC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000648003061 461933359 /nfs/dbraw/zinc/93/33/59/461933359.db2.gz DVYDRNCJMRRRCU-UHFFFAOYSA-N 2 2 326.488 3.487 10 0 EGAELP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000648003061 461933364 /nfs/dbraw/zinc/93/33/64/461933364.db2.gz DVYDRNCJMRRRCU-UHFFFAOYSA-N 2 2 326.488 3.487 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010072 461938798 /nfs/dbraw/zinc/93/87/98/461938798.db2.gz JPXRJEPJUMQBPH-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010072 461938801 /nfs/dbraw/zinc/93/88/01/461938801.db2.gz JPXRJEPJUMQBPH-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010072 461938803 /nfs/dbraw/zinc/93/88/03/461938803.db2.gz JPXRJEPJUMQBPH-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010072 461938805 /nfs/dbraw/zinc/93/88/05/461938805.db2.gz JPXRJEPJUMQBPH-PKOBYXMFSA-N 2 2 326.488 3.343 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657288231 462018413 /nfs/dbraw/zinc/01/84/13/462018413.db2.gz CUXRKFDZOYCIHG-UHFFFAOYSA-N 3 2 346.438 3.105 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+]Cc3cnn4c3CCC4)CC2)cc1 ZINC000657297386 462025541 /nfs/dbraw/zinc/02/55/41/462025541.db2.gz MXOHWOMIFVFDBY-UHFFFAOYSA-N 2 2 344.890 3.237 10 0 EGAELP c1cc(CNC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362101 462071718 /nfs/dbraw/zinc/07/17/18/462071718.db2.gz OUHQCDYVEDWUNO-FQEVSTJZSA-N 2 2 347.466 3.022 10 0 EGAELP c1cc(CNC[C@@H]2CCC[N@H+]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362101 462071724 /nfs/dbraw/zinc/07/17/24/462071724.db2.gz OUHQCDYVEDWUNO-FQEVSTJZSA-N 2 2 347.466 3.022 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H]1c1cccs1 ZINC000657375444 462080876 /nfs/dbraw/zinc/08/08/76/462080876.db2.gz ZGURRCKKWLHCNR-KDOFPFPSSA-N 2 2 330.501 3.064 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H]1c1cccs1 ZINC000657375444 462080880 /nfs/dbraw/zinc/08/08/80/462080880.db2.gz ZGURRCKKWLHCNR-KDOFPFPSSA-N 2 2 330.501 3.064 10 0 EGAELP CC[NH+](CC)Cc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651086755 462081340 /nfs/dbraw/zinc/08/13/40/462081340.db2.gz GNIHISYFCFFANM-UHFFFAOYSA-N 2 2 340.471 3.242 10 0 EGAELP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657382172 462085427 /nfs/dbraw/zinc/08/54/27/462085427.db2.gz BKUAUXJPFFIWGK-UHFFFAOYSA-N 2 2 344.425 3.326 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000657388329 462090703 /nfs/dbraw/zinc/09/07/03/462090703.db2.gz JETRAWLFHIUJKP-SJLPKXTDSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@H+]1Cc1ccccc1 ZINC000657388329 462090710 /nfs/dbraw/zinc/09/07/10/462090710.db2.gz JETRAWLFHIUJKP-SJLPKXTDSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000657388328 462091523 /nfs/dbraw/zinc/09/15/23/462091523.db2.gz JETRAWLFHIUJKP-FUHWJXTLSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@H+]1Cc1ccccc1 ZINC000657388328 462091530 /nfs/dbraw/zinc/09/15/30/462091530.db2.gz JETRAWLFHIUJKP-FUHWJXTLSA-N 2 2 339.487 3.146 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000657672998 462223947 /nfs/dbraw/zinc/22/39/47/462223947.db2.gz GLEXPNPSTSGICM-WBVHZDCISA-N 2 2 343.446 3.372 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000657672998 462223953 /nfs/dbraw/zinc/22/39/53/462223953.db2.gz GLEXPNPSTSGICM-WBVHZDCISA-N 2 2 343.446 3.372 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699229 462307712 /nfs/dbraw/zinc/30/77/12/462307712.db2.gz LVCHORYXBSXIIP-HIFRSBDPSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699229 462307716 /nfs/dbraw/zinc/30/77/16/462307716.db2.gz LVCHORYXBSXIIP-HIFRSBDPSA-N 2 2 326.843 3.167 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1cc2cnccc2o1 ZINC000657943011 462324502 /nfs/dbraw/zinc/32/45/02/462324502.db2.gz LZBUHEJNJIMCJI-CQSZACIVSA-N 2 2 337.427 3.148 10 0 EGAELP CCC1(CC)CCC([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000651759638 462328647 /nfs/dbraw/zinc/32/86/47/462328647.db2.gz YLNFCBSPEPMYHD-KRWDZBQOSA-N 2 2 346.519 3.250 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000658054323 462359168 /nfs/dbraw/zinc/35/91/68/462359168.db2.gz DIUXNKSOXXQRDC-IRXDYDNUSA-N 2 2 331.504 3.483 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000658054323 462359173 /nfs/dbraw/zinc/35/91/73/462359173.db2.gz DIUXNKSOXXQRDC-IRXDYDNUSA-N 2 2 331.504 3.483 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2cnccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000665239422 462364628 /nfs/dbraw/zinc/36/46/28/462364628.db2.gz TVNWZAXGECILBU-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](CCF)C3)c2cc1C ZINC000661693632 462369742 /nfs/dbraw/zinc/36/97/42/462369742.db2.gz QUBOJVGPXCVZPV-IRXDYDNUSA-N 2 2 333.451 3.086 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](CCF)C3)c2cc1C ZINC000661693632 462369745 /nfs/dbraw/zinc/36/97/45/462369745.db2.gz QUBOJVGPXCVZPV-IRXDYDNUSA-N 2 2 333.451 3.086 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000665255696 462371814 /nfs/dbraw/zinc/37/18/14/462371814.db2.gz ZODDOXDEBQSZBT-FCLVOEFKSA-N 2 2 340.471 3.023 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncc(F)c2)cc1F ZINC000665259678 462374071 /nfs/dbraw/zinc/37/40/71/462374071.db2.gz MSGCJYMMWLFQFW-PUECVXPYSA-N 2 2 347.409 3.165 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000668094129 462416637 /nfs/dbraw/zinc/41/66/37/462416637.db2.gz BKUIXZWOMLLKSS-UHFFFAOYSA-N 2 2 335.455 3.325 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000658228863 462435579 /nfs/dbraw/zinc/43/55/79/462435579.db2.gz XRAFLIXGZZDLPB-NVXWUHKLSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000658228863 462435583 /nfs/dbraw/zinc/43/55/83/462435583.db2.gz XRAFLIXGZZDLPB-NVXWUHKLSA-N 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ZINC000123231709 546738856 /nfs/dbraw/zinc/73/88/56/546738856.db2.gz AKHGYTOCQNNSEY-HZPDHXFCSA-N 2 2 339.483 3.108 10 0 EGAELP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131094862 546802222 /nfs/dbraw/zinc/80/22/22/546802222.db2.gz SKELEBAHGPAXTF-IBGZPJMESA-N 2 2 330.520 3.236 10 0 EGAELP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131094862 546802225 /nfs/dbraw/zinc/80/22/25/546802225.db2.gz SKELEBAHGPAXTF-IBGZPJMESA-N 2 2 330.520 3.236 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542555 547824243 /nfs/dbraw/zinc/82/42/43/547824243.db2.gz RMXMIUOQRVMBNL-BWAGFHJFSA-N 3 2 339.527 3.113 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542555 547824247 /nfs/dbraw/zinc/82/42/47/547824247.db2.gz RMXMIUOQRVMBNL-BWAGFHJFSA-N 3 2 339.527 3.113 10 0 EGAELP COc1cc[nH+]c(CN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000673756593 548616933 /nfs/dbraw/zinc/61/69/33/548616933.db2.gz CPJCFRIYKHVJOB-QGZVFWFLSA-N 2 2 325.456 3.187 10 0 EGAELP COc1cc[nH+]c(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000673756593 548616936 /nfs/dbraw/zinc/61/69/36/548616936.db2.gz CPJCFRIYKHVJOB-QGZVFWFLSA-N 2 2 325.456 3.187 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c[nH+]c2ccccn12 ZINC000675247320 548879941 /nfs/dbraw/zinc/87/99/41/548879941.db2.gz MREKKMMTFVHXNK-GOSISDBHSA-N 2 2 334.467 3.431 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1c[nH+]c2ccccn12 ZINC000675247320 548879944 /nfs/dbraw/zinc/87/99/44/548879944.db2.gz MREKKMMTFVHXNK-GOSISDBHSA-N 2 2 334.467 3.431 10 0 EGAELP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000675898421 549001140 /nfs/dbraw/zinc/00/11/40/549001140.db2.gz NVUOWQLMTOGVRX-FPOVZHCZSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000675898421 549001146 /nfs/dbraw/zinc/00/11/46/549001146.db2.gz NVUOWQLMTOGVRX-FPOVZHCZSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)n1 ZINC000675898421 549001150 /nfs/dbraw/zinc/00/11/50/549001150.db2.gz NVUOWQLMTOGVRX-FPOVZHCZSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)n1 ZINC000675898421 549001156 /nfs/dbraw/zinc/00/11/56/549001156.db2.gz NVUOWQLMTOGVRX-FPOVZHCZSA-N 2 2 339.483 3.020 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n(CCc2ccccc2)n1 ZINC000675930232 549007207 /nfs/dbraw/zinc/00/72/07/549007207.db2.gz IYKLUQVKWYLCQM-UHFFFAOYSA-N 2 2 338.499 3.090 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893041 549175019 /nfs/dbraw/zinc/17/50/19/549175019.db2.gz BHAJCARIKYRKHC-CVEARBPZSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893041 549175022 /nfs/dbraw/zinc/17/50/22/549175022.db2.gz BHAJCARIKYRKHC-CVEARBPZSA-N 2 2 344.421 3.071 10 0 EGAELP Clc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000677001220 549190894 /nfs/dbraw/zinc/19/08/94/549190894.db2.gz HVNFEAINIPWERH-UHFFFAOYSA-N 2 2 326.747 3.069 10 0 EGAELP C[C@H](Cc1ccsc1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044562 549624723 /nfs/dbraw/zinc/62/47/23/549624723.db2.gz PCUGISALRZQSDR-XLIONFOSSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@H](Cc1ccsc1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044562 549624725 /nfs/dbraw/zinc/62/47/25/549624725.db2.gz PCUGISALRZQSDR-XLIONFOSSA-N 2 2 344.524 3.296 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000681606714 550017567 /nfs/dbraw/zinc/01/75/67/550017567.db2.gz QJHNUKHQRKRXDA-FQEVSTJZSA-N 2 2 344.524 3.420 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000681606714 550017570 /nfs/dbraw/zinc/01/75/70/550017570.db2.gz QJHNUKHQRKRXDA-FQEVSTJZSA-N 2 2 344.524 3.420 10 0 EGAELP Cc1cc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)ccc1F ZINC000685662155 550437431 /nfs/dbraw/zinc/43/74/31/550437431.db2.gz MNUHSGFYMMNMRG-OXJNMPFZSA-N 2 2 336.414 3.489 10 0 EGAELP Cc1cc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)ccc1F ZINC000685662155 550437433 /nfs/dbraw/zinc/43/74/33/550437433.db2.gz MNUHSGFYMMNMRG-OXJNMPFZSA-N 2 2 336.414 3.489 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919775 574895861 /nfs/dbraw/zinc/89/58/61/574895861.db2.gz CRTOQRDKXZRKMN-CZUORRHYSA-N 2 2 339.361 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919775 574895863 /nfs/dbraw/zinc/89/58/63/574895863.db2.gz CRTOQRDKXZRKMN-CZUORRHYSA-N 2 2 339.361 3.272 10 0 EGAELP CCC[N@H+](C)CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000730278888 574965331 /nfs/dbraw/zinc/96/53/31/574965331.db2.gz GGGUSVSHICVETN-UHFFFAOYSA-N 2 2 326.444 3.167 10 0 EGAELP CCC[N@@H+](C)CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000730278888 574965334 /nfs/dbraw/zinc/96/53/34/574965334.db2.gz GGGUSVSHICVETN-UHFFFAOYSA-N 2 2 326.444 3.167 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC000087789342 1292746617 /nfs/dbraw/zinc/74/66/17/1292746617.db2.gz RMNBVGMCYJNXFX-NEPJUHHUSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC000087789342 1292746623 /nfs/dbraw/zinc/74/66/23/1292746623.db2.gz RMNBVGMCYJNXFX-NEPJUHHUSA-N 2 2 327.266 3.017 10 0 EGAELP C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783575 1296075810 /nfs/dbraw/zinc/07/58/10/1296075810.db2.gz AUDXTGUPQNVIIH-QFBILLFUSA-N 2 2 341.455 3.351 10 0 EGAELP C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783575 1296075815 /nfs/dbraw/zinc/07/58/15/1296075815.db2.gz AUDXTGUPQNVIIH-QFBILLFUSA-N 2 2 341.455 3.351 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3Cl)C[C@@H]12 ZINC000706449187 1298221493 /nfs/dbraw/zinc/22/14/93/1298221493.db2.gz CBGNUWRCLNOOJG-UFGOTCBOSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3Cl)C[C@@H]12 ZINC000706449187 1298221504 /nfs/dbraw/zinc/22/15/04/1298221504.db2.gz CBGNUWRCLNOOJG-UFGOTCBOSA-N 2 2 329.669 3.272 10 0 EGAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000709311484 1298248308 /nfs/dbraw/zinc/24/83/08/1298248308.db2.gz VVKPMFIFHNTYMB-HOTGVXAUSA-N 2 2 339.524 3.238 10 0 EGAELP c1cn(C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)c2ccccc2)c[nH+]1 ZINC000883386213 1302425447 /nfs/dbraw/zinc/42/54/47/1302425447.db2.gz BTIGBCXMRBHLTF-CTNGQTDRSA-N 2 2 332.451 3.493 10 0 EGAELP c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n(CC2CCC2)n1 ZINC000883397635 1302431572 /nfs/dbraw/zinc/43/15/72/1302431572.db2.gz RCPARHGFFMBECI-FQEVSTJZSA-N 2 2 335.455 3.411 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092779 1306214870 /nfs/dbraw/zinc/21/48/70/1306214870.db2.gz BKNVUDKCARBQPI-PBHICJAKSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092779 1306214877 /nfs/dbraw/zinc/21/48/77/1306214877.db2.gz BKNVUDKCARBQPI-PBHICJAKSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1OC ZINC000894092779 1306214883 /nfs/dbraw/zinc/21/48/83/1306214883.db2.gz BKNVUDKCARBQPI-PBHICJAKSA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1OC ZINC000894092779 1306214889 /nfs/dbraw/zinc/21/48/89/1306214889.db2.gz BKNVUDKCARBQPI-PBHICJAKSA-N 2 2 348.462 3.292 10 0 EGAELP CC(C)(C)n1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895111033 1309194647 /nfs/dbraw/zinc/19/46/47/1309194647.db2.gz IRADKERXWZGHSU-QAQDUYKDSA-N 2 2 327.476 3.310 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2ccc(-c3cc[nH]n3)o2)c2cccc[nH+]2)CC1 ZINC000895111246 1309194720 /nfs/dbraw/zinc/19/47/20/1309194720.db2.gz CWYUFPDFIZGYCQ-SHTZXODSSA-N 2 2 337.427 3.341 10 0 EGAELP COCCc1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895113555 1309196991 /nfs/dbraw/zinc/19/69/91/1309196991.db2.gz HCYLEDLPKHTIJT-SHTZXODSSA-N 2 2 346.500 3.004 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)cc1F ZINC000858145765 1328695834 /nfs/dbraw/zinc/69/58/34/1328695834.db2.gz DZALIVABSICBKW-WCQYABFASA-N 2 2 329.257 3.469 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)cc1F ZINC000858145765 1328695837 /nfs/dbraw/zinc/69/58/37/1328695837.db2.gz DZALIVABSICBKW-WCQYABFASA-N 2 2 329.257 3.469 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129371 1328792511 /nfs/dbraw/zinc/79/25/11/1328792511.db2.gz OQDDQCLRGFYJTC-HUUCEWRRSA-N 2 2 343.393 3.458 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000930518955 1328883967 /nfs/dbraw/zinc/88/39/67/1328883967.db2.gz PNBNPKLTMQLKHS-NVXWUHKLSA-N 2 2 336.842 3.354 10 0 EGAELP Cc1[nH]c(-c2ccc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)cc2)[nH+]c1C ZINC000921661788 1322372339 /nfs/dbraw/zinc/37/23/39/1322372339.db2.gz ISDJYQLXLYFDOH-INIZCTEOSA-N 2 2 344.484 3.069 10 0 EGAELP Cc1[nH]c(-c2ccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)cc2)[nH+]c1C ZINC000921661788 1322372342 /nfs/dbraw/zinc/37/23/42/1322372342.db2.gz ISDJYQLXLYFDOH-INIZCTEOSA-N 2 2 344.484 3.069 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cn2c(n1)CCCC2 ZINC000924626405 1323081315 /nfs/dbraw/zinc/08/13/15/1323081315.db2.gz VNVRBYMOIWLREC-INIZCTEOSA-N 2 2 335.455 3.315 10 0 EGAELP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000924730717 1323137113 /nfs/dbraw/zinc/13/71/13/1323137113.db2.gz GKUMBNYEUAFIHB-INIZCTEOSA-N 2 2 348.491 3.185 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]CC3([NH+]4CCSCC4)CCCCC3)C2)CO1 ZINC000925038393 1323252707 /nfs/dbraw/zinc/25/27/07/1323252707.db2.gz TZRYFOOQPWYIQI-WWDZGPRUSA-N 2 2 338.561 3.285 10 0 EGAELP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925093887 1323277857 /nfs/dbraw/zinc/27/78/57/1323277857.db2.gz MHEZYWHJDABBON-KSSFIOAISA-N 2 2 349.906 3.203 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931291585 1329087438 /nfs/dbraw/zinc/08/74/38/1329087438.db2.gz XONJGPLLNYNJSZ-UHFFFAOYSA-N 2 2 332.488 3.161 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931291585 1329087441 /nfs/dbraw/zinc/08/74/41/1329087441.db2.gz XONJGPLLNYNJSZ-UHFFFAOYSA-N 2 2 332.488 3.161 10 0 EGAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(COC[C@H]2CCCO2)c1 ZINC000925715452 1325268189 /nfs/dbraw/zinc/26/81/89/1325268189.db2.gz DJCBZDKAGZKPCT-WOJBJXKFSA-N 2 2 344.499 3.147 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000925776928 1325296711 /nfs/dbraw/zinc/29/67/11/1325296711.db2.gz AZQLEYSSIWQAEC-GHMZBOCLSA-N 2 2 333.220 3.345 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925831666 1325319356 /nfs/dbraw/zinc/31/93/56/1325319356.db2.gz LHPUFRNIJDOUDC-UKMLZYKCSA-N 2 2 328.378 3.276 10 0 EGAELP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000925881110 1325340699 /nfs/dbraw/zinc/34/06/99/1325340699.db2.gz FXRFXXIIZFYDPH-GGPKGHCWSA-N 2 2 339.487 3.075 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926224045 1325481107 /nfs/dbraw/zinc/48/11/07/1325481107.db2.gz LDSLCJGDZWAZKZ-ROUUACIJSA-N 2 2 349.519 3.160 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926224045 1325481117 /nfs/dbraw/zinc/48/11/17/1325481117.db2.gz LDSLCJGDZWAZKZ-ROUUACIJSA-N 2 2 349.519 3.160 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)n(C)n1 ZINC000926764028 1327705422 /nfs/dbraw/zinc/70/54/22/1327705422.db2.gz ZPHJWXFDOULRQL-XKGZKEIXSA-N 2 2 330.520 3.046 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)n(C)n1 ZINC000926764028 1327705428 /nfs/dbraw/zinc/70/54/28/1327705428.db2.gz ZPHJWXFDOULRQL-XKGZKEIXSA-N 2 2 330.520 3.046 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)s1 ZINC000862528600 1329492651 /nfs/dbraw/zinc/49/26/51/1329492651.db2.gz BXPNCPXRRWAILQ-RYQLBKOJSA-N 2 2 327.497 3.440 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)s1 ZINC000862528600 1329492653 /nfs/dbraw/zinc/49/26/53/1329492653.db2.gz BXPNCPXRRWAILQ-RYQLBKOJSA-N 2 2 327.497 3.440 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548475 1329562467 /nfs/dbraw/zinc/56/24/67/1329562467.db2.gz XQNXHFHXQOVGIA-FUHIMQAGSA-N 3 2 345.531 3.472 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@@H]1c1cccs1 ZINC000865474946 1329702643 /nfs/dbraw/zinc/70/26/43/1329702643.db2.gz FOVSQTQLCVTXCI-RDTXWAMCSA-N 2 2 330.501 3.452 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@@H]1c1cccs1 ZINC000865474946 1329702644 /nfs/dbraw/zinc/70/26/44/1329702644.db2.gz FOVSQTQLCVTXCI-RDTXWAMCSA-N 2 2 330.501 3.452 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704938 1330143171 /nfs/dbraw/zinc/14/31/71/1330143171.db2.gz REDGGXRUWLTDMM-LIRRHRJNSA-N 2 2 335.467 3.158 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704938 1330143172 /nfs/dbraw/zinc/14/31/72/1330143172.db2.gz REDGGXRUWLTDMM-LIRRHRJNSA-N 2 2 335.467 3.158 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000866707603 1330143555 /nfs/dbraw/zinc/14/35/55/1330143555.db2.gz VCSCRSLWHAOLEK-IBGZPJMESA-N 2 2 330.451 3.208 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000866707603 1330143557 /nfs/dbraw/zinc/14/35/57/1330143557.db2.gz VCSCRSLWHAOLEK-IBGZPJMESA-N 2 2 330.451 3.208 10 0 EGAELP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639762 1387415026 /nfs/dbraw/zinc/41/50/26/1387415026.db2.gz ALYPUDUPVDXJSV-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639762 1387415030 /nfs/dbraw/zinc/41/50/30/1387415030.db2.gz ALYPUDUPVDXJSV-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001323834564 1387468836 /nfs/dbraw/zinc/46/88/36/1387468836.db2.gz AIVUTFANRDMPFN-SNAWJCMRSA-N 2 2 344.503 3.013 10 0 EGAELP COc1ncc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c2ccccc21 ZINC001198767915 1369108738 /nfs/dbraw/zinc/10/87/38/1369108738.db2.gz FMKMKBBQUCWJBP-UHFFFAOYSA-N 2 2 336.439 3.357 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CCCC1CCC1 ZINC001203167930 1370007842 /nfs/dbraw/zinc/00/78/42/1370007842.db2.gz CYBFUZUGEUTVMZ-UHFFFAOYSA-N 2 2 332.488 3.068 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917726 1388080376 /nfs/dbraw/zinc/08/03/76/1388080376.db2.gz MQFOKPRDEULGFK-DUFJLWIISA-N 2 2 344.503 3.085 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917726 1388080382 /nfs/dbraw/zinc/08/03/82/1388080382.db2.gz MQFOKPRDEULGFK-DUFJLWIISA-N 2 2 344.503 3.085 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c(C)o1 ZINC001118320982 1371163364 /nfs/dbraw/zinc/16/33/64/1371163364.db2.gz HJAIMWVDYOTATK-INIZCTEOSA-N 2 2 343.427 3.155 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c(C)o1 ZINC001118320982 1371163368 /nfs/dbraw/zinc/16/33/68/1371163368.db2.gz HJAIMWVDYOTATK-INIZCTEOSA-N 2 2 343.427 3.155 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)CC1 ZINC001119632068 1371379397 /nfs/dbraw/zinc/37/93/97/1371379397.db2.gz LEYUUZOIFUTDBP-YQVWRLOYSA-N 2 2 329.488 3.056 10 0 EGAELP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266104860 1377188060 /nfs/dbraw/zinc/18/80/60/1377188060.db2.gz BIAITPCPDSEXCK-MRXNPFEDSA-N 2 2 346.450 3.011 10 0 EGAELP C[N@@H+](CCCCCF)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266104860 1377188063 /nfs/dbraw/zinc/18/80/63/1377188063.db2.gz BIAITPCPDSEXCK-MRXNPFEDSA-N 2 2 346.450 3.011 10 0 EGAELP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226939 1377236789 /nfs/dbraw/zinc/23/67/89/1377236789.db2.gz JRZOOCOEKKUSGX-HZPDHXFCSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@@H](F)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226939 1377236791 /nfs/dbraw/zinc/23/67/91/1377236791.db2.gz JRZOOCOEKKUSGX-HZPDHXFCSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001266898145 1377401025 /nfs/dbraw/zinc/40/10/25/1377401025.db2.gz SQAZNIAOZXDEJA-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001266898145 1377401026 /nfs/dbraw/zinc/40/10/26/1377401026.db2.gz SQAZNIAOZXDEJA-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001268202188 1377493685 /nfs/dbraw/zinc/49/36/85/1377493685.db2.gz OCNFZUAPCIKYCW-RBUKOAKNSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001268202188 1377493688 /nfs/dbraw/zinc/49/36/88/1377493688.db2.gz OCNFZUAPCIKYCW-RBUKOAKNSA-N 2 2 348.535 3.487 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268276295 1377505550 /nfs/dbraw/zinc/50/55/50/1377505550.db2.gz DDPNTEMNYXWALV-PLQXZHKYSA-N 2 2 346.519 3.157 10 0 EGAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001270830487 1377615571 /nfs/dbraw/zinc/61/55/71/1377615571.db2.gz RKJPPQFLOVRPCD-FQEVSTJZSA-N 2 2 346.519 3.096 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001272273113 1377664226 /nfs/dbraw/zinc/66/42/26/1377664226.db2.gz XHFZEOPLDADTCQ-WBVHZDCISA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001272273113 1377664230 /nfs/dbraw/zinc/66/42/30/1377664230.db2.gz XHFZEOPLDADTCQ-WBVHZDCISA-N 2 2 334.508 3.043 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001281526842 1378438694 /nfs/dbraw/zinc/43/86/94/1378438694.db2.gz MBVIYMHPJKELMF-UHFFFAOYSA-N 2 2 346.519 3.202 10 0 EGAELP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001282469273 1378508756 /nfs/dbraw/zinc/50/87/56/1378508756.db2.gz PRYWIPPCSIJFCI-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001282469273 1378508759 /nfs/dbraw/zinc/50/87/59/1378508759.db2.gz PRYWIPPCSIJFCI-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677970 1378548941 /nfs/dbraw/zinc/54/89/41/1378548941.db2.gz LJSGZCOGJPBALN-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677970 1378548943 /nfs/dbraw/zinc/54/89/43/1378548943.db2.gz LJSGZCOGJPBALN-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677970 1378548949 /nfs/dbraw/zinc/54/89/49/1378548949.db2.gz LJSGZCOGJPBALN-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677970 1378548952 /nfs/dbraw/zinc/54/89/52/1378548952.db2.gz LJSGZCOGJPBALN-AEFFLSMTSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001284297117 1379685171 /nfs/dbraw/zinc/68/51/71/1379685171.db2.gz SWVYLSKNSNGBRY-KRWDZBQOSA-N 2 2 342.487 3.273 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001316775604 1384575046 /nfs/dbraw/zinc/57/50/46/1384575046.db2.gz SOKLFVGEFZDHII-SHCNBLLESA-N 2 2 346.519 3.070 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1Cl ZINC001316903981 1384683073 /nfs/dbraw/zinc/68/30/73/1384683073.db2.gz NQPHRHUVWMZGFC-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1Cl ZINC001316903981 1384683074 /nfs/dbraw/zinc/68/30/74/1384683074.db2.gz NQPHRHUVWMZGFC-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001329071991 1388954870 /nfs/dbraw/zinc/95/48/70/1388954870.db2.gz XNHZZQNRLDFKSS-DLBZAZTESA-N 2 2 348.535 3.380 10 0 EGAELP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001317482333 1385179061 /nfs/dbraw/zinc/17/90/61/1385179061.db2.gz QVQYCSFJRWHFEF-FQEVSTJZSA-N 2 2 348.450 3.302 10 0 EGAELP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001317482333 1385179063 /nfs/dbraw/zinc/17/90/63/1385179063.db2.gz QVQYCSFJRWHFEF-FQEVSTJZSA-N 2 2 348.450 3.302 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508035 1385216819 /nfs/dbraw/zinc/21/68/19/1385216819.db2.gz AELAAIYSMHWFAJ-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508035 1385216821 /nfs/dbraw/zinc/21/68/21/1385216821.db2.gz AELAAIYSMHWFAJ-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317687151 1385398745 /nfs/dbraw/zinc/39/87/45/1385398745.db2.gz QYQKPMRJQBWVIT-HNNXBMFYSA-N 2 2 340.471 3.359 10 0 EGAELP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318852023 1385861719 /nfs/dbraw/zinc/86/17/19/1385861719.db2.gz VOMDKYJIMZYXOH-INIZCTEOSA-N 2 2 334.508 3.096 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001698647103 1406296270 /nfs/dbraw/zinc/29/62/70/1406296270.db2.gz VPVPRMLFLJGANQ-DPZZJQGRSA-N 2 2 340.471 3.179 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320054968 1386478278 /nfs/dbraw/zinc/47/82/78/1386478278.db2.gz MSCXDUDSJGKIII-SFHVURJKSA-N 2 2 338.455 3.213 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320054968 1386478280 /nfs/dbraw/zinc/47/82/80/1386478280.db2.gz MSCXDUDSJGKIII-SFHVURJKSA-N 2 2 338.455 3.213 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001320112841 1386521011 /nfs/dbraw/zinc/52/10/11/1386521011.db2.gz WCZZDBMJVKTBMJ-IAGOWNOFSA-N 2 2 346.519 3.046 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001320112841 1386521021 /nfs/dbraw/zinc/52/10/21/1386521021.db2.gz WCZZDBMJVKTBMJ-IAGOWNOFSA-N 2 2 346.519 3.046 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001698684878 1406331625 /nfs/dbraw/zinc/33/16/25/1406331625.db2.gz WEIYAXJTQKZKBF-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001322371531 1387173524 /nfs/dbraw/zinc/17/35/24/1387173524.db2.gz PMHQJAIQXUFMEM-WMZOPIPTSA-N 2 2 348.535 3.054 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001322730398 1387232044 /nfs/dbraw/zinc/23/20/44/1387232044.db2.gz GGIAZUYCWUDJML-IAGOWNOFSA-N 2 2 342.487 3.096 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001322730398 1387232045 /nfs/dbraw/zinc/23/20/45/1387232045.db2.gz GGIAZUYCWUDJML-IAGOWNOFSA-N 2 2 342.487 3.096 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCC(C)(C)C ZINC001329741104 1389214762 /nfs/dbraw/zinc/21/47/62/1389214762.db2.gz GSFOPXCCJGQWNO-ZACQAIPSSA-N 2 2 348.535 3.412 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCC(C)(C)C ZINC001329741104 1389214765 /nfs/dbraw/zinc/21/47/65/1389214765.db2.gz GSFOPXCCJGQWNO-ZACQAIPSSA-N 2 2 348.535 3.412 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240509 1389357271 /nfs/dbraw/zinc/35/72/71/1389357271.db2.gz DCACSKAJHIJPRZ-VUOWKATKSA-N 2 2 346.519 3.407 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240509 1389357278 /nfs/dbraw/zinc/35/72/78/1389357278.db2.gz DCACSKAJHIJPRZ-VUOWKATKSA-N 2 2 346.519 3.407 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001331487617 1389766780 /nfs/dbraw/zinc/76/67/80/1389766780.db2.gz HGTOZQFPLPEKHH-INIZCTEOSA-N 2 2 348.535 3.334 10 0 EGAELP CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001331567033 1389804944 /nfs/dbraw/zinc/80/49/44/1389804944.db2.gz UBVDFJFGLLAWRW-UHFFFAOYSA-N 2 2 342.487 3.085 10 0 EGAELP CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001331992205 1389937429 /nfs/dbraw/zinc/93/74/29/1389937429.db2.gz RHJMCHYLLBNTBP-CRAIPNDOSA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001332823482 1390194497 /nfs/dbraw/zinc/19/44/97/1390194497.db2.gz HSOUJCPOKVADMM-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP CCCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001332874135 1390205654 /nfs/dbraw/zinc/20/56/54/1390205654.db2.gz KDCGJTRZJBWJCF-KRWDZBQOSA-N 2 2 344.503 3.106 10 0 EGAELP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001333004541 1390234802 /nfs/dbraw/zinc/23/48/02/1390234802.db2.gz MCUZVCALMBYAQT-IRXDYDNUSA-N 2 2 332.492 3.017 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC001334388945 1390530174 /nfs/dbraw/zinc/53/01/74/1390530174.db2.gz FVYVEHLARHNRQJ-PXNSSMCTSA-N 2 2 329.488 3.056 10 0 EGAELP CC(C)(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001345250227 1390851491 /nfs/dbraw/zinc/85/14/91/1390851491.db2.gz BHCISHOZOAQEDO-UHFFFAOYSA-N 2 2 341.455 3.074 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001479527259 1392270077 /nfs/dbraw/zinc/27/00/77/1392270077.db2.gz IDGGCPPURGNMGQ-DNVCBOLYSA-N 2 2 346.519 3.058 10 0 EGAELP CCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479826596 1392414506 /nfs/dbraw/zinc/41/45/06/1392414506.db2.gz OANACCCLXMMTMP-SJORKVTESA-N 2 2 342.487 3.497 10 0 EGAELP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078495 1392568193 /nfs/dbraw/zinc/56/81/93/1392568193.db2.gz LKRKEHIBMPTEKN-WMZOPIPTSA-N 2 2 348.535 3.143 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078495 1392568198 /nfs/dbraw/zinc/56/81/98/1392568198.db2.gz LKRKEHIBMPTEKN-WMZOPIPTSA-N 2 2 348.535 3.143 10 0 EGAELP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001480097051 1392582473 /nfs/dbraw/zinc/58/24/73/1392582473.db2.gz CKAZUAFHWZABBQ-CALCHBBNSA-N 2 2 340.471 3.288 10 0 EGAELP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001480097051 1392582475 /nfs/dbraw/zinc/58/24/75/1392582475.db2.gz CKAZUAFHWZABBQ-CALCHBBNSA-N 2 2 340.471 3.288 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001480694956 1392858508 /nfs/dbraw/zinc/85/85/08/1392858508.db2.gz KDQNEDNOGQACQV-ZWKOTPCHSA-N 2 2 348.535 3.380 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922280 1393022399 /nfs/dbraw/zinc/02/23/99/1393022399.db2.gz GHGTWOVSMQAQJJ-IAGOWNOFSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922280 1393022403 /nfs/dbraw/zinc/02/24/03/1393022403.db2.gz GHGTWOVSMQAQJJ-IAGOWNOFSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922280 1393022406 /nfs/dbraw/zinc/02/24/06/1393022406.db2.gz GHGTWOVSMQAQJJ-IAGOWNOFSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922280 1393022409 /nfs/dbraw/zinc/02/24/09/1393022409.db2.gz GHGTWOVSMQAQJJ-IAGOWNOFSA-N 2 2 342.487 3.014 10 0 EGAELP CCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001698881868 1406611877 /nfs/dbraw/zinc/61/18/77/1406611877.db2.gz OXDCGWPUKDOKGA-GOSISDBHSA-N 2 2 328.460 3.241 10 0 EGAELP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001698927474 1406663441 /nfs/dbraw/zinc/66/34/41/1406663441.db2.gz FIUPRUSOSHUJON-SJLPKXTDSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001698954648 1406699943 /nfs/dbraw/zinc/69/99/43/1406699943.db2.gz VBKHADJIMSQEMU-CRAIPNDOSA-N 2 2 348.535 3.304 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001491820993 1394537489 /nfs/dbraw/zinc/53/74/89/1394537489.db2.gz HDEPGNPMMXFQKP-KRWDZBQOSA-N 2 2 335.467 3.198 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481857158 1394562484 /nfs/dbraw/zinc/56/24/84/1394562484.db2.gz LIVHKMAYZIOMMT-RDJZCZTQSA-N 2 2 346.519 3.043 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481857158 1394562487 /nfs/dbraw/zinc/56/24/87/1394562487.db2.gz LIVHKMAYZIOMMT-RDJZCZTQSA-N 2 2 346.519 3.043 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001481912382 1394592638 /nfs/dbraw/zinc/59/26/38/1394592638.db2.gz WJJYGVDBUZPOKU-UHFFFAOYSA-N 2 2 346.519 3.106 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001482019091 1394675849 /nfs/dbraw/zinc/67/58/49/1394675849.db2.gz XBDFWOCCNBXECL-VHVAZGQRSA-N 2 2 340.471 3.321 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001482063474 1394724176 /nfs/dbraw/zinc/72/41/76/1394724176.db2.gz DSNDZDHDIVQONP-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482448124 1395007641 /nfs/dbraw/zinc/00/76/41/1395007641.db2.gz AZHMFHBUBNOBBN-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482448124 1395007645 /nfs/dbraw/zinc/00/76/45/1395007645.db2.gz AZHMFHBUBNOBBN-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001482490594 1395043567 /nfs/dbraw/zinc/04/35/67/1395043567.db2.gz CZBDMGRCYCFCRY-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001484543197 1395424679 /nfs/dbraw/zinc/42/46/79/1395424679.db2.gz JMWGWQLYLWGFEN-SFHVURJKSA-N 2 2 346.519 3.141 10 0 EGAELP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001485238811 1395732216 /nfs/dbraw/zinc/73/22/16/1395732216.db2.gz OZGNGXRHDOXION-UHFFFAOYSA-N 2 2 334.508 3.138 10 0 EGAELP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001485238811 1395732220 /nfs/dbraw/zinc/73/22/20/1395732220.db2.gz OZGNGXRHDOXION-UHFFFAOYSA-N 2 2 334.508 3.138 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001505400389 1396288037 /nfs/dbraw/zinc/28/80/37/1396288037.db2.gz NRXMUHIMRYPSGQ-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001505400389 1396288038 /nfs/dbraw/zinc/28/80/38/1396288038.db2.gz NRXMUHIMRYPSGQ-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001492096995 1396304085 /nfs/dbraw/zinc/30/40/85/1396304085.db2.gz XBXXLDCUCBOUNR-HZPDHXFCSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001492096995 1396304086 /nfs/dbraw/zinc/30/40/86/1396304086.db2.gz XBXXLDCUCBOUNR-HZPDHXFCSA-N 2 2 346.519 3.043 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146421 1396382913 /nfs/dbraw/zinc/38/29/13/1396382913.db2.gz RHFCCNAOOMZAJE-YSEKLJNJSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146421 1396382918 /nfs/dbraw/zinc/38/29/18/1396382918.db2.gz RHFCCNAOOMZAJE-YSEKLJNJSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146421 1396382923 /nfs/dbraw/zinc/38/29/23/1396382923.db2.gz RHFCCNAOOMZAJE-YSEKLJNJSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146421 1396382931 /nfs/dbraw/zinc/38/29/31/1396382931.db2.gz RHFCCNAOOMZAJE-YSEKLJNJSA-N 2 2 344.503 3.040 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001496404977 1396691994 /nfs/dbraw/zinc/69/19/94/1396691994.db2.gz WNRBDUXHQKWLQP-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385991 1404518850 /nfs/dbraw/zinc/51/88/50/1404518850.db2.gz TUYCXXCQWVJGSX-REMYHPOOSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385991 1404518857 /nfs/dbraw/zinc/51/88/57/1404518857.db2.gz TUYCXXCQWVJGSX-REMYHPOOSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001690448166 1404571403 /nfs/dbraw/zinc/57/14/03/1404571403.db2.gz FZCNQEVHJNUPBG-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001690448166 1404571407 /nfs/dbraw/zinc/57/14/07/1404571407.db2.gz FZCNQEVHJNUPBG-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001690471940 1404596558 /nfs/dbraw/zinc/59/65/58/1404596558.db2.gz ZDJRZKXZNVRLLT-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001690471940 1404596561 /nfs/dbraw/zinc/59/65/61/1404596561.db2.gz ZDJRZKXZNVRLLT-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001690490859 1404604207 /nfs/dbraw/zinc/60/42/07/1404604207.db2.gz FWPXADLYKZPIEX-IFEVLTCRSA-N 2 2 344.503 3.085 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001690490859 1404604208 /nfs/dbraw/zinc/60/42/08/1404604208.db2.gz FWPXADLYKZPIEX-IFEVLTCRSA-N 2 2 344.503 3.085 10 0 EGAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001690866808 1404784674 /nfs/dbraw/zinc/78/46/74/1404784674.db2.gz BECAHRWXVJBGHF-KGLIPLIRSA-N 2 2 348.516 3.197 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001725493808 1426171502 /nfs/dbraw/zinc/17/15/02/1426171502.db2.gz FVOPHGAJPRTZJG-IEBWSBKVSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](CCCC(C)C)C3CC3)ccn12 ZINC001691209036 1405149554 /nfs/dbraw/zinc/14/95/54/1405149554.db2.gz OQGYGVLRWQWSFQ-UHFFFAOYSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](CCCC(C)C)C3CC3)ccn12 ZINC001691209036 1405149556 /nfs/dbraw/zinc/14/95/56/1405149556.db2.gz OQGYGVLRWQWSFQ-UHFFFAOYSA-N 2 2 342.487 3.273 10 0 EGAELP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001691673452 1405407588 /nfs/dbraw/zinc/40/75/88/1405407588.db2.gz XUEMFCGENGSDBG-MRXNPFEDSA-N 2 2 342.487 3.211 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CC(C)(C)C1 ZINC001691732882 1405455534 /nfs/dbraw/zinc/45/55/34/1405455534.db2.gz OTTIJMSMIFGZKH-IAGOWNOFSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CC(C)(C)C1 ZINC001691732882 1405455540 /nfs/dbraw/zinc/45/55/40/1405455540.db2.gz OTTIJMSMIFGZKH-IAGOWNOFSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CC(C)(C)C1 ZINC001691732882 1405455542 /nfs/dbraw/zinc/45/55/42/1405455542.db2.gz OTTIJMSMIFGZKH-IAGOWNOFSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CC(C)(C)C1 ZINC001691732882 1405455544 /nfs/dbraw/zinc/45/55/44/1405455544.db2.gz OTTIJMSMIFGZKH-IAGOWNOFSA-N 2 2 346.519 3.166 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864569 1405583488 /nfs/dbraw/zinc/58/34/88/1405583488.db2.gz OZMHFQQJMAPDSF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864569 1405583490 /nfs/dbraw/zinc/58/34/90/1405583490.db2.gz OZMHFQQJMAPDSF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864569 1405583493 /nfs/dbraw/zinc/58/34/93/1405583493.db2.gz OZMHFQQJMAPDSF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864569 1405583497 /nfs/dbraw/zinc/58/34/97/1405583497.db2.gz OZMHFQQJMAPDSF-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001692075770 1405761961 /nfs/dbraw/zinc/76/19/61/1405761961.db2.gz QAJINXZIDQTPIO-FGTMMUONSA-N 2 2 334.508 3.095 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001692192339 1405831514 /nfs/dbraw/zinc/83/15/14/1405831514.db2.gz WUTNTHONHCZZLH-FUHWJXTLSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001692192339 1405831518 /nfs/dbraw/zinc/83/15/18/1405831518.db2.gz WUTNTHONHCZZLH-FUHWJXTLSA-N 2 2 328.460 3.336 10 0 EGAELP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692260696 1405889825 /nfs/dbraw/zinc/88/98/25/1405889825.db2.gz NSBSNVUXGBQLBN-SFHVURJKSA-N 2 2 346.519 3.236 10 0 EGAELP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692260696 1405889831 /nfs/dbraw/zinc/88/98/31/1405889831.db2.gz NSBSNVUXGBQLBN-SFHVURJKSA-N 2 2 346.519 3.236 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CCCC(C)C)ccn12 ZINC001732344487 1428542328 /nfs/dbraw/zinc/54/23/28/1428542328.db2.gz XGZBSUIAQNWICB-OAHLLOKOSA-N 2 2 330.476 3.034 10 0 EGAELP CC1CCC(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCCC2)CC1 ZINC001732394591 1428562509 /nfs/dbraw/zinc/56/25/09/1428562509.db2.gz ZMQYKBNXDZIRHQ-UHFFFAOYSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)c[nH+]1 ZINC001732426447 1428576287 /nfs/dbraw/zinc/57/62/87/1428576287.db2.gz MLJYYFDNRBJYKB-WBVHZDCISA-N 2 2 336.524 3.045 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699653498 1413035614 /nfs/dbraw/zinc/03/56/14/1413035614.db2.gz JVBGHTZWGIMXGJ-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699653498 1413035621 /nfs/dbraw/zinc/03/56/21/1413035621.db2.gz JVBGHTZWGIMXGJ-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001699749182 1413158030 /nfs/dbraw/zinc/15/80/30/1413158030.db2.gz FSLLMJDUWQBZSJ-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001699749182 1413158035 /nfs/dbraw/zinc/15/80/35/1413158035.db2.gz FSLLMJDUWQBZSJ-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001699846694 1413275407 /nfs/dbraw/zinc/27/54/07/1413275407.db2.gz JHBDIURTOWWYCT-FQEVSTJZSA-N 2 2 331.504 3.495 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001699978507 1413423186 /nfs/dbraw/zinc/42/31/86/1413423186.db2.gz DIHOMGHYJTTZBJ-KZNAEPCWSA-N 2 2 346.519 3.067 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001699978507 1413423187 /nfs/dbraw/zinc/42/31/87/1413423187.db2.gz DIHOMGHYJTTZBJ-KZNAEPCWSA-N 2 2 346.519 3.067 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001700260262 1413708254 /nfs/dbraw/zinc/70/82/54/1413708254.db2.gz AFFLFIAAIUYCCZ-IFXJQAMLSA-N 2 2 340.471 3.193 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001700261794 1413709729 /nfs/dbraw/zinc/70/97/29/1413709729.db2.gz GRPZHIVEKICXSC-SUMWQHHRSA-N 2 2 328.460 3.049 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001700282931 1413729159 /nfs/dbraw/zinc/72/91/59/1413729159.db2.gz AJIJNKUOMRSCBL-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001700282931 1413729165 /nfs/dbraw/zinc/72/91/65/1413729165.db2.gz AJIJNKUOMRSCBL-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001700289990 1413740504 /nfs/dbraw/zinc/74/05/04/1413740504.db2.gz DNFJXNSMAJMGBI-IPLHWJFFSA-N 2 2 346.519 3.236 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001700289990 1413740509 /nfs/dbraw/zinc/74/05/09/1413740509.db2.gz DNFJXNSMAJMGBI-IPLHWJFFSA-N 2 2 346.519 3.236 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700292255 1413745858 /nfs/dbraw/zinc/74/58/58/1413745858.db2.gz JANIGZAVHKCRHO-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700292255 1413745867 /nfs/dbraw/zinc/74/58/67/1413745867.db2.gz JANIGZAVHKCRHO-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001700316242 1413775066 /nfs/dbraw/zinc/77/50/66/1413775066.db2.gz RSXWWJIVMMFJPQ-CVEARBPZSA-N 2 2 328.460 3.107 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001700316242 1413775071 /nfs/dbraw/zinc/77/50/71/1413775071.db2.gz RSXWWJIVMMFJPQ-CVEARBPZSA-N 2 2 328.460 3.107 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001707124377 1417210909 /nfs/dbraw/zinc/21/09/09/1417210909.db2.gz KQUFJRDFIPSJGD-SFHVURJKSA-N 2 2 346.519 3.022 10 0 EGAELP CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707141790 1417219964 /nfs/dbraw/zinc/21/99/64/1417219964.db2.gz LVKBIAPBZJWKGN-SJORKVTESA-N 2 2 342.487 3.355 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@@H+]1CCC1CC1 ZINC001707197097 1417241006 /nfs/dbraw/zinc/24/10/06/1417241006.db2.gz XIXOXXNJGLXWPJ-OTWHNJEPSA-N 2 2 346.519 3.240 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@H+]1CCC1CC1 ZINC001707197097 1417241009 /nfs/dbraw/zinc/24/10/09/1417241009.db2.gz XIXOXXNJGLXWPJ-OTWHNJEPSA-N 2 2 346.519 3.240 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001713244332 1417830366 /nfs/dbraw/zinc/83/03/66/1417830366.db2.gz MJHLZFRRNXSCBP-QGZVFWFLSA-N 2 2 348.535 3.007 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733076727 1429231086 /nfs/dbraw/zinc/23/10/86/1429231086.db2.gz HKQULGPACKMCGW-NVXWUHKLSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001733104147 1429244221 /nfs/dbraw/zinc/24/42/21/1429244221.db2.gz CMJQMDYTMDTLDR-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001733104147 1429244225 /nfs/dbraw/zinc/24/42/25/1429244225.db2.gz CMJQMDYTMDTLDR-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001713603183 1418389668 /nfs/dbraw/zinc/38/96/68/1418389668.db2.gz MSSGZBTXJRYROT-SFHVURJKSA-N 2 2 332.492 3.019 10 0 EGAELP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714040030 1418829573 /nfs/dbraw/zinc/82/95/73/1418829573.db2.gz LPTVDJGVTOCXNB-LJQANCHMSA-N 2 2 346.519 3.236 10 0 EGAELP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001714040030 1418829575 /nfs/dbraw/zinc/82/95/75/1418829575.db2.gz LPTVDJGVTOCXNB-LJQANCHMSA-N 2 2 346.519 3.236 10 0 EGAELP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714040030 1418829580 /nfs/dbraw/zinc/82/95/80/1418829580.db2.gz LPTVDJGVTOCXNB-LJQANCHMSA-N 2 2 346.519 3.236 10 0 EGAELP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001714040030 1418829584 /nfs/dbraw/zinc/82/95/84/1418829584.db2.gz LPTVDJGVTOCXNB-LJQANCHMSA-N 2 2 346.519 3.236 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]CC[C@H](C)F)CCCC3)ccn12 ZINC001714133741 1418936541 /nfs/dbraw/zinc/93/65/41/1418936541.db2.gz RMTLYTDTNGBHRI-AWEZNQCLSA-N 2 2 346.450 3.023 10 0 EGAELP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714327160 1419106048 /nfs/dbraw/zinc/10/60/48/1419106048.db2.gz MDQHCKBBNJSTKR-MRXNPFEDSA-N 2 2 348.535 3.191 10 0 EGAELP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001733203121 1429308715 /nfs/dbraw/zinc/30/87/15/1429308715.db2.gz YXIKEXPCCOPVKH-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccccc1Cl ZINC001714588883 1419334361 /nfs/dbraw/zinc/33/43/61/1419334361.db2.gz LQTLQGOOHMRYDV-OAHLLOKOSA-N 2 2 348.878 3.044 10 0 EGAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccccc1Cl ZINC001714588883 1419334364 /nfs/dbraw/zinc/33/43/64/1419334364.db2.gz LQTLQGOOHMRYDV-OAHLLOKOSA-N 2 2 348.878 3.044 10 0 EGAELP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714677047 1419469730 /nfs/dbraw/zinc/46/97/30/1419469730.db2.gz ZKEYOXZJPKLUMG-AWEZNQCLSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]C/C=C/c3ccccc3)ccn12 ZINC001714709134 1419479882 /nfs/dbraw/zinc/47/98/82/1419479882.db2.gz NSSBABJSTRBYDU-RMKNXTFCSA-N 2 2 348.450 3.018 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001714824287 1419535103 /nfs/dbraw/zinc/53/51/03/1419535103.db2.gz ZVMCSFZZGWVDJB-WBVHZDCISA-N 2 2 342.487 3.275 10 0 EGAELP CCCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001714848850 1419560419 /nfs/dbraw/zinc/56/04/19/1419560419.db2.gz TUXADGFLZXWZHU-KRWDZBQOSA-N 2 2 336.439 3.195 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001715027916 1419760270 /nfs/dbraw/zinc/76/02/70/1419760270.db2.gz OYCRLJUMKYTBLR-WMZOPIPTSA-N 2 2 348.535 3.334 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001715140195 1419887751 /nfs/dbraw/zinc/88/77/51/1419887751.db2.gz ZFSRLGSJUUMIQR-APWZRJJASA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCC[C@H]1C ZINC001715140195 1419887756 /nfs/dbraw/zinc/88/77/56/1419887756.db2.gz ZFSRLGSJUUMIQR-APWZRJJASA-N 2 2 334.508 3.043 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001715233897 1419965471 /nfs/dbraw/zinc/96/54/71/1419965471.db2.gz MFFQOXLGJPBBCI-WBVHZDCISA-N 2 2 342.487 3.062 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001715233897 1419965473 /nfs/dbraw/zinc/96/54/73/1419965473.db2.gz MFFQOXLGJPBBCI-WBVHZDCISA-N 2 2 342.487 3.062 10 0 EGAELP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715389324 1420086318 /nfs/dbraw/zinc/08/63/18/1420086318.db2.gz YRVFFHJCTMJAGC-YOEHRIQHSA-N 2 2 348.878 3.124 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H](C)CC(C)C ZINC001715451397 1420134067 /nfs/dbraw/zinc/13/40/67/1420134067.db2.gz UMZLTRPVKTWENC-WMZOPIPTSA-N 2 2 348.535 3.304 10 0 EGAELP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001715774934 1420338653 /nfs/dbraw/zinc/33/86/53/1420338653.db2.gz MELGWNJTLIVIEG-MRXNPFEDSA-N 2 2 342.487 3.077 10 0 EGAELP O=C(NCC=CC[NH2+][C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001715832166 1420360189 /nfs/dbraw/zinc/36/01/89/1420360189.db2.gz CPMHNVGGEHJZQY-RTLBZRNLSA-N 2 2 346.434 3.126 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733267670 1429428241 /nfs/dbraw/zinc/42/82/41/1429428241.db2.gz FPARNMPGTZRNEG-OOUWWJCLSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733267670 1429428245 /nfs/dbraw/zinc/42/82/45/1429428245.db2.gz FPARNMPGTZRNEG-OOUWWJCLSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488858 1420709036 /nfs/dbraw/zinc/70/90/36/1420709036.db2.gz WCWVXVRJMRYSLB-INIZCTEOSA-N 2 2 342.487 3.359 10 0 EGAELP C[C@@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488858 1420709037 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346.519 3.070 10 0 EGAELP C[C@@H](CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1)n1cc[nH+]c1 ZINC001717525808 1421461674 /nfs/dbraw/zinc/46/16/74/1421461674.db2.gz DUDYSGXSSWGOOF-ADKAHSJRSA-N 2 2 346.519 3.289 10 0 EGAELP CCCCC[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717702281 1421576134 /nfs/dbraw/zinc/57/61/34/1421576134.db2.gz UNFBTMTUNJXVHJ-UHFFFAOYSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCC[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717702281 1421576137 /nfs/dbraw/zinc/57/61/37/1421576137.db2.gz UNFBTMTUNJXVHJ-UHFFFAOYSA-N 2 2 334.508 3.040 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001717835453 1421648884 /nfs/dbraw/zinc/64/88/84/1421648884.db2.gz AYHLSGPMBWSOPJ-QRFRQXIXSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001717835453 1421648885 /nfs/dbraw/zinc/64/88/85/1421648885.db2.gz AYHLSGPMBWSOPJ-QRFRQXIXSA-N 2 2 346.519 3.138 10 0 EGAELP 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Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000191426059 239105557 /nfs/dbraw/zinc/10/55/57/239105557.db2.gz HKFJJXROENFYOM-GOSISDBHSA-N 2 2 327.476 3.096 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3F)CC2)[C@H]2CCO[C@H]21 ZINC000230209517 242249916 /nfs/dbraw/zinc/24/99/16/242249916.db2.gz VLYVFGPRZNYDGQ-BHIYHBOVSA-N 2 2 332.463 3.193 10 0 EGAELP COc1ccc(O)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000241775947 243000242 /nfs/dbraw/zinc/00/02/42/243000242.db2.gz RQODVHJNJWDAQO-ZDUSSCGKSA-N 2 2 338.411 3.141 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000256004681 244062452 /nfs/dbraw/zinc/06/24/52/244062452.db2.gz UMWNXPTXDOVDFE-CRAIPNDOSA-N 2 2 335.455 3.305 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000256004681 244062456 /nfs/dbraw/zinc/06/24/56/244062456.db2.gz UMWNXPTXDOVDFE-CRAIPNDOSA-N 2 2 335.455 3.305 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095466 217361998 /nfs/dbraw/zinc/36/19/98/217361998.db2.gz HXTAYRCDDFYERX-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095466 217362000 /nfs/dbraw/zinc/36/20/00/217362000.db2.gz HXTAYRCDDFYERX-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095466 217362001 /nfs/dbraw/zinc/36/20/01/217362001.db2.gz HXTAYRCDDFYERX-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000081095466 217362002 /nfs/dbraw/zinc/36/20/02/217362002.db2.gz HXTAYRCDDFYERX-UYAOXDASSA-N 2 2 345.531 3.086 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nnc2n1CCCCC2 ZINC000378150510 169077329 /nfs/dbraw/zinc/07/73/29/169077329.db2.gz LXCOEROJJUKFMO-INIZCTEOSA-N 2 2 345.535 3.452 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(OC(F)F)c1 ZINC000378334687 169102599 /nfs/dbraw/zinc/10/25/99/169102599.db2.gz QDVQVOHSICIWTA-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP Cc1ccc(O)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000093336782 218215477 /nfs/dbraw/zinc/21/54/77/218215477.db2.gz STJDDMLANIPSPS-GOSISDBHSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000093336782 218215479 /nfs/dbraw/zinc/21/54/79/218215479.db2.gz STJDDMLANIPSPS-GOSISDBHSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000093336782 218215481 /nfs/dbraw/zinc/21/54/81/218215481.db2.gz STJDDMLANIPSPS-GOSISDBHSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000093336782 218215483 /nfs/dbraw/zinc/21/54/83/218215483.db2.gz STJDDMLANIPSPS-GOSISDBHSA-N 2 2 325.456 3.050 10 0 EGAELP CCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000095422038 218363979 /nfs/dbraw/zinc/36/39/79/218363979.db2.gz BZPWPQPNHMFGPN-UHFFFAOYSA-N 2 2 329.419 3.378 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246827946 141036648 /nfs/dbraw/zinc/03/66/48/141036648.db2.gz NZFSWATWEJBAIS-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246827946 141036649 /nfs/dbraw/zinc/03/66/49/141036649.db2.gz NZFSWATWEJBAIS-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246827946 141036650 /nfs/dbraw/zinc/03/66/50/141036650.db2.gz NZFSWATWEJBAIS-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246827946 141036651 /nfs/dbraw/zinc/03/66/51/141036651.db2.gz NZFSWATWEJBAIS-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000344524859 141168812 /nfs/dbraw/zinc/16/88/12/141168812.db2.gz HKPPNZMBNCLPFF-BBRMVZONSA-N 2 2 348.468 3.300 10 0 EGAELP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000344524859 141168815 /nfs/dbraw/zinc/16/88/15/141168815.db2.gz HKPPNZMBNCLPFF-BBRMVZONSA-N 2 2 348.468 3.300 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000346201297 141179011 /nfs/dbraw/zinc/17/90/11/141179011.db2.gz MSDXYLGGQWIMCK-IBGZPJMESA-N 3 2 339.487 3.026 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000346201297 141179012 /nfs/dbraw/zinc/17/90/12/141179012.db2.gz MSDXYLGGQWIMCK-IBGZPJMESA-N 3 2 339.487 3.026 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462286 141199820 /nfs/dbraw/zinc/19/98/20/141199820.db2.gz OTWQRMKZKLLZGC-LIRRHRJNSA-N 2 2 331.410 3.381 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462286 141199822 /nfs/dbraw/zinc/19/98/22/141199822.db2.gz OTWQRMKZKLLZGC-LIRRHRJNSA-N 2 2 331.410 3.381 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353463419 141302030 /nfs/dbraw/zinc/30/20/30/141302030.db2.gz RMCNZSDPOLYGHS-CGXNFDGLSA-N 2 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353463419 141302031 /nfs/dbraw/zinc/30/20/31/141302031.db2.gz RMCNZSDPOLYGHS-CGXNFDGLSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353463419 141302032 /nfs/dbraw/zinc/30/20/32/141302032.db2.gz RMCNZSDPOLYGHS-CGXNFDGLSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353463419 141302033 /nfs/dbraw/zinc/30/20/33/141302033.db2.gz RMCNZSDPOLYGHS-CGXNFDGLSA-N 2 2 327.516 3.113 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000356255709 141329955 /nfs/dbraw/zinc/32/99/55/141329955.db2.gz ALHYIWWVPKCLJL-CVEARBPZSA-N 2 2 349.494 3.198 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1c(C)nn(C)c1C ZINC000356845982 141353411 /nfs/dbraw/zinc/35/34/11/141353411.db2.gz IUFOONXPUPCWEY-OAHLLOKOSA-N 2 2 346.441 3.494 10 0 EGAELP Fc1cccc(CCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119383744 152202827 /nfs/dbraw/zinc/20/28/27/152202827.db2.gz JSOMADUQWNLTLO-UHFFFAOYSA-N 2 2 348.385 3.394 10 0 EGAELP c1cn(-c2ncccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000190750564 153158326 /nfs/dbraw/zinc/15/83/26/153158326.db2.gz LNZLRPIPCZCFGH-UHFFFAOYSA-N 2 2 334.423 3.346 10 0 EGAELP Cc1ccc(O)c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000310094587 154138042 /nfs/dbraw/zinc/13/80/42/154138042.db2.gz UHFJLAQQAPDIQW-FQEVSTJZSA-N 2 2 325.456 3.097 10 0 EGAELP Cc1ccc(O)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310094587 154138045 /nfs/dbraw/zinc/13/80/45/154138045.db2.gz UHFJLAQQAPDIQW-FQEVSTJZSA-N 2 2 325.456 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000339924165 155035223 /nfs/dbraw/zinc/03/52/23/155035223.db2.gz BKXILYKGGXWBFD-UHFFFAOYSA-N 2 2 348.450 3.037 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000365649530 157204484 /nfs/dbraw/zinc/20/44/84/157204484.db2.gz OKYKFMDOOQZPNK-SFHVURJKSA-N 2 2 335.455 3.045 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000365649530 157204487 /nfs/dbraw/zinc/20/44/87/157204487.db2.gz OKYKFMDOOQZPNK-SFHVURJKSA-N 2 2 335.455 3.045 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604627 162017937 /nfs/dbraw/zinc/01/79/37/162017937.db2.gz YZRLDGUCLPWRDR-HNNXBMFYSA-N 2 2 328.485 3.123 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604627 162017938 /nfs/dbraw/zinc/01/79/38/162017938.db2.gz YZRLDGUCLPWRDR-HNNXBMFYSA-N 2 2 328.485 3.123 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231278 162148716 /nfs/dbraw/zinc/14/87/16/162148716.db2.gz WXUKXPOXZCBYFF-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231278 162148721 /nfs/dbraw/zinc/14/87/21/162148721.db2.gz WXUKXPOXZCBYFF-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2nnc4ccccn42)C3)cc1 ZINC000249058414 163053134 /nfs/dbraw/zinc/05/31/34/163053134.db2.gz ZIHRSFOFIOGXPU-REPLKXPHSA-N 2 2 347.466 3.015 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2nnc4ccccn42)C3)cc1 ZINC000249058414 163053135 /nfs/dbraw/zinc/05/31/35/163053135.db2.gz ZIHRSFOFIOGXPU-REPLKXPHSA-N 2 2 347.466 3.015 10 0 EGAELP Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346172220 164356438 /nfs/dbraw/zinc/35/64/38/164356438.db2.gz LEYILRULFJOJQJ-AWEZNQCLSA-N 2 2 327.457 3.047 10 0 EGAELP Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346172220 164356440 /nfs/dbraw/zinc/35/64/40/164356440.db2.gz LEYILRULFJOJQJ-AWEZNQCLSA-N 2 2 327.457 3.047 10 0 EGAELP c1cn(-c2csc(CN3CCC[N@@H+](C4CCCC4)CC3)c2)c[nH+]1 ZINC000346185787 164359176 /nfs/dbraw/zinc/35/91/76/164359176.db2.gz SGFNYWYZJMCOAI-UHFFFAOYSA-N 2 2 330.501 3.384 10 0 EGAELP c1cn(-c2csc(CN3CCC[N@H+](C4CCCC4)CC3)c2)c[nH+]1 ZINC000346185787 164359177 /nfs/dbraw/zinc/35/91/77/164359177.db2.gz SGFNYWYZJMCOAI-UHFFFAOYSA-N 2 2 330.501 3.384 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000346547744 164394645 /nfs/dbraw/zinc/39/46/45/164394645.db2.gz BDSOAVSEKXRDBD-DJIMGWMZSA-N 2 2 344.421 3.190 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000346547744 164394647 /nfs/dbraw/zinc/39/46/47/164394647.db2.gz BDSOAVSEKXRDBD-DJIMGWMZSA-N 2 2 344.421 3.190 10 0 EGAELP Cc1ncc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000352407363 165384969 /nfs/dbraw/zinc/38/49/69/165384969.db2.gz QHRCMVTWAVHHEF-UHFFFAOYSA-N 2 2 341.846 3.337 10 0 EGAELP Cc1ncc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000352407363 165384971 /nfs/dbraw/zinc/38/49/71/165384971.db2.gz QHRCMVTWAVHHEF-UHFFFAOYSA-N 2 2 341.846 3.337 10 0 EGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c[nH+]1 ZINC000367025176 168170328 /nfs/dbraw/zinc/17/03/28/168170328.db2.gz XETLOIRLTSVLIC-HNNXBMFYSA-N 2 2 329.407 3.006 10 0 EGAELP Clc1cc2c(cc1C[NH+]1CCC(c3c[nH]c[nH+]3)CC1)OCCO2 ZINC000367376453 168217574 /nfs/dbraw/zinc/21/75/74/168217574.db2.gz ANPWJAHLAUHFAP-UHFFFAOYSA-N 2 2 333.819 3.214 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(Cl)c1OC ZINC000368081373 168308745 /nfs/dbraw/zinc/30/87/45/168308745.db2.gz MMRJJDKKWBMDHV-GFCCVEGCSA-N 2 2 335.835 3.118 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(Cl)c1OC ZINC000368081373 168308748 /nfs/dbraw/zinc/30/87/48/168308748.db2.gz MMRJJDKKWBMDHV-GFCCVEGCSA-N 2 2 335.835 3.118 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000123187940 222231141 /nfs/dbraw/zinc/23/11/41/222231141.db2.gz QWVGWNDAFQRXDK-NVXWUHKLSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000123187940 222231142 /nfs/dbraw/zinc/23/11/42/222231142.db2.gz QWVGWNDAFQRXDK-NVXWUHKLSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000124005532 222363648 /nfs/dbraw/zinc/36/36/48/222363648.db2.gz VVTXKSHJGYKWBH-DGCLKSJQSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000124005532 222363652 /nfs/dbraw/zinc/36/36/52/222363652.db2.gz VVTXKSHJGYKWBH-DGCLKSJQSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005532 222363654 /nfs/dbraw/zinc/36/36/54/222363654.db2.gz VVTXKSHJGYKWBH-DGCLKSJQSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005532 222363657 /nfs/dbraw/zinc/36/36/57/222363657.db2.gz VVTXKSHJGYKWBH-DGCLKSJQSA-N 2 2 344.286 3.346 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174780099 265070435 /nfs/dbraw/zinc/07/04/35/265070435.db2.gz DDFMTYWTWMXVBB-SLYNCCJLSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174780099 265070439 /nfs/dbraw/zinc/07/04/39/265070439.db2.gz DDFMTYWTWMXVBB-SLYNCCJLSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174780099 265070442 /nfs/dbraw/zinc/07/04/42/265070442.db2.gz DDFMTYWTWMXVBB-SLYNCCJLSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174780099 265070445 /nfs/dbraw/zinc/07/04/45/265070445.db2.gz DDFMTYWTWMXVBB-SLYNCCJLSA-N 2 2 345.531 3.162 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020509 266083754 /nfs/dbraw/zinc/08/37/54/266083754.db2.gz DYONUIPBEWJDRT-WCQYABFASA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020509 266083756 /nfs/dbraw/zinc/08/37/56/266083756.db2.gz DYONUIPBEWJDRT-WCQYABFASA-N 2 2 347.322 3.272 10 0 EGAELP Cc1csc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000275489758 267369676 /nfs/dbraw/zinc/36/96/76/267369676.db2.gz BMKCEOUZCYZYHK-CQSZACIVSA-N 2 2 348.541 3.395 10 0 EGAELP Cc1csc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000275489758 267369677 /nfs/dbraw/zinc/36/96/77/267369677.db2.gz BMKCEOUZCYZYHK-CQSZACIVSA-N 2 2 348.541 3.395 10 0 EGAELP Brc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000089800136 275153371 /nfs/dbraw/zinc/15/33/71/275153371.db2.gz FCHGRKFJYDXURG-JTQLQIEISA-N 2 2 326.263 3.374 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000279730649 275354131 /nfs/dbraw/zinc/35/41/31/275354131.db2.gz NFHZCIYPEVQUDW-YRWFTTLQSA-N 2 2 341.503 3.105 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000279730649 275354134 /nfs/dbraw/zinc/35/41/34/275354134.db2.gz NFHZCIYPEVQUDW-YRWFTTLQSA-N 2 2 341.503 3.105 10 0 EGAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H]1C ZINC000280398615 275446170 /nfs/dbraw/zinc/44/61/70/275446170.db2.gz VLEWNBGOMHJRAS-OWCLPIDISA-N 2 2 343.471 3.073 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287492642 276124771 /nfs/dbraw/zinc/12/47/71/276124771.db2.gz KXGBCLKVZCSNHN-GOSISDBHSA-N 2 2 338.455 3.437 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287492642 276124773 /nfs/dbraw/zinc/12/47/73/276124773.db2.gz KXGBCLKVZCSNHN-GOSISDBHSA-N 2 2 338.455 3.437 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287943114 276171214 /nfs/dbraw/zinc/17/12/14/276171214.db2.gz XOTNCHHDEQMYHQ-LPHOPBHVSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287943114 276171215 /nfs/dbraw/zinc/17/12/15/276171215.db2.gz XOTNCHHDEQMYHQ-LPHOPBHVSA-N 2 2 325.456 3.090 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000289042607 276282921 /nfs/dbraw/zinc/28/29/21/276282921.db2.gz AVGWXKQBOHLGJU-UHFFFAOYSA-N 2 2 337.467 3.217 10 0 EGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000120362936 278974613 /nfs/dbraw/zinc/97/46/13/278974613.db2.gz BYPKVVIUGUQXHH-BATSVXPKSA-N 2 2 343.515 3.385 10 0 EGAELP C[C@H](c1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182559847 290248967 /nfs/dbraw/zinc/24/89/67/290248967.db2.gz AVRRPZYSVXDNNB-AZCLRUCKSA-N 2 2 331.479 3.130 10 0 EGAELP C[C@H](c1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182559847 290248971 /nfs/dbraw/zinc/24/89/71/290248971.db2.gz AVRRPZYSVXDNNB-AZCLRUCKSA-N 2 2 331.479 3.130 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000368103104 295272865 /nfs/dbraw/zinc/27/28/65/295272865.db2.gz SAKIHOLENMPUKL-WFASDCNBSA-N 2 2 329.469 3.492 10 0 EGAELP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCS2 ZINC000368103104 295272867 /nfs/dbraw/zinc/27/28/67/295272867.db2.gz SAKIHOLENMPUKL-WFASDCNBSA-N 2 2 329.469 3.492 10 0 EGAELP C[NH+]1CCC(CNC(=O)CC2(C)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000125501299 307556557 /nfs/dbraw/zinc/55/65/57/307556557.db2.gz KEYOKJRUYHMGIU-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP CCn1cc[nH+]c1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000414302218 309071603 /nfs/dbraw/zinc/07/16/03/309071603.db2.gz ODYAEABPDZIBSZ-UHFFFAOYSA-N 2 2 334.221 3.234 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC3 ZINC000248430188 308003123 /nfs/dbraw/zinc/00/31/23/308003123.db2.gz PUDQIMBLEMFZFQ-PDSXEYIOSA-N 2 2 341.499 3.352 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)CC3 ZINC000248430188 308003125 /nfs/dbraw/zinc/00/31/25/308003125.db2.gz PUDQIMBLEMFZFQ-PDSXEYIOSA-N 2 2 341.499 3.352 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2F)[C@H](C)C1 ZINC000293498480 308136626 /nfs/dbraw/zinc/13/66/26/308136626.db2.gz HCQKDJNBIPSJAJ-DNVCBOLYSA-N 2 2 338.467 3.061 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2F)[C@H](C)C1 ZINC000293498480 308136627 /nfs/dbraw/zinc/13/66/27/308136627.db2.gz HCQKDJNBIPSJAJ-DNVCBOLYSA-N 2 2 338.467 3.061 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(Br)s1 ZINC000294858804 308265200 /nfs/dbraw/zinc/26/52/00/308265200.db2.gz CXEJXZVDTUANDR-NSHDSACASA-N 2 2 341.278 3.075 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(Br)s1 ZINC000294858804 308265202 /nfs/dbraw/zinc/26/52/02/308265202.db2.gz CXEJXZVDTUANDR-NSHDSACASA-N 2 2 341.278 3.075 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](O)C(F)F ZINC000295107036 308291976 /nfs/dbraw/zinc/29/19/76/308291976.db2.gz ULNBYHMALZKSJC-HZPDHXFCSA-N 2 2 346.849 3.299 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295854206 308367397 /nfs/dbraw/zinc/36/73/97/308367397.db2.gz BDZDQVCTWNVSOK-SLFFLAALSA-N 2 2 338.499 3.293 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295854206 308367399 /nfs/dbraw/zinc/36/73/99/308367399.db2.gz BDZDQVCTWNVSOK-SLFFLAALSA-N 2 2 338.499 3.293 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414834166 309104585 /nfs/dbraw/zinc/10/45/85/309104585.db2.gz QIDXEAXEUDMVRE-DYVFJYSZSA-N 2 2 331.847 3.347 10 0 EGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000313264174 308764871 /nfs/dbraw/zinc/76/48/71/308764871.db2.gz NHRNUMULCLHKAG-SNVBAGLBSA-N 2 2 326.213 3.215 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000313251923 308764895 /nfs/dbraw/zinc/76/48/95/308764895.db2.gz MHAHTLTWMSFJMK-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP CCc1nc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc(C)[nH+]1 ZINC000342608837 308880842 /nfs/dbraw/zinc/88/08/42/308880842.db2.gz WEKSZYDVULKMSG-HNNXBMFYSA-N 2 2 328.435 3.370 10 0 EGAELP CC[NH+]1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413030991 309012491 /nfs/dbraw/zinc/01/24/91/309012491.db2.gz IBRQLWYEWOWYRH-UHFFFAOYSA-N 2 2 334.261 3.315 10 0 EGAELP Brc1ccc2c(cc[nH+]c2NC2CC[NH+](C3CC3)CC2)c1 ZINC000413050171 309013382 /nfs/dbraw/zinc/01/33/82/309013382.db2.gz ZIDUFQPROVFVFI-UHFFFAOYSA-N 2 2 346.272 3.458 10 0 EGAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415017283 309114559 /nfs/dbraw/zinc/11/45/59/309114559.db2.gz PJVSGFOKYONUFO-STQMWFEESA-N 2 2 331.847 3.418 10 0 EGAELP Brc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052266 309116731 /nfs/dbraw/zinc/11/67/31/309116731.db2.gz NBBZBJQSMFCIHH-BXUZGUMPSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052266 309116732 /nfs/dbraw/zinc/11/67/32/309116732.db2.gz NBBZBJQSMFCIHH-BXUZGUMPSA-N 2 2 329.307 3.475 10 0 EGAELP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1cccc(F)c1 ZINC000415124654 309122109 /nfs/dbraw/zinc/12/21/09/309122109.db2.gz MXOPOSAYLKYYDZ-ZWKOTPCHSA-N 2 2 337.398 3.006 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1cccc(F)c1 ZINC000415124654 309122110 /nfs/dbraw/zinc/12/21/10/309122110.db2.gz MXOPOSAYLKYYDZ-ZWKOTPCHSA-N 2 2 337.398 3.006 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000420371673 309284740 /nfs/dbraw/zinc/28/47/40/309284740.db2.gz KWMZYBLYAKTXNE-ICSRJNTNSA-N 2 2 332.488 3.019 10 0 EGAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000420371673 309284741 /nfs/dbraw/zinc/28/47/41/309284741.db2.gz KWMZYBLYAKTXNE-ICSRJNTNSA-N 2 2 332.488 3.019 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)ccn1 ZINC000421384707 309322179 /nfs/dbraw/zinc/32/21/79/309322179.db2.gz PLRDOFRHCNVOTP-KRWDZBQOSA-N 2 2 331.529 3.169 10 0 EGAELP c1ccc(C(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422749698 309366380 /nfs/dbraw/zinc/36/63/80/309366380.db2.gz ANVONZIINFXDEZ-FCHUYYIVSA-N 2 2 336.479 3.175 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccccc2F)[C@H]2CCC[NH2+]2)cc1 ZINC000422765944 309367183 /nfs/dbraw/zinc/36/71/83/309367183.db2.gz WMMOKWNHZVPKAS-UYAOXDASSA-N 2 2 344.430 3.296 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOCc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422834617 309370977 /nfs/dbraw/zinc/37/09/77/309370977.db2.gz ZWJLBMKNYWERIU-LEWJYISDSA-N 2 2 340.467 3.295 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOC2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422947159 309377520 /nfs/dbraw/zinc/37/75/20/309377520.db2.gz PXVCFNPHLPTWFD-PMACEKPBSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2cccc(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422950894 309377664 /nfs/dbraw/zinc/37/76/64/309377664.db2.gz WYWNLNYQTDPTNX-WOJBJXKFSA-N 2 2 344.430 3.296 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016376 309381241 /nfs/dbraw/zinc/38/12/41/309381241.db2.gz MNENGYHBTDTKRG-LSZYVWPRSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016376 309381242 /nfs/dbraw/zinc/38/12/42/309381242.db2.gz MNENGYHBTDTKRG-LSZYVWPRSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016376 309381243 /nfs/dbraw/zinc/38/12/43/309381243.db2.gz MNENGYHBTDTKRG-LSZYVWPRSA-N 2 2 339.886 3.345 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423035893 309382197 /nfs/dbraw/zinc/38/21/97/309382197.db2.gz SIUDUAJMICULAL-SMOSDQRPSA-N 2 2 332.488 3.283 10 0 EGAELP CCOC1CC(CC[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000423067939 309384038 /nfs/dbraw/zinc/38/40/38/309384038.db2.gz IVELYTHPVIQCKF-OSXBXZONSA-N 2 2 332.488 3.283 10 0 EGAELP C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423105783 309386061 /nfs/dbraw/zinc/38/60/61/309386061.db2.gz CKZXTPYXYAWSIT-BPNCWPANSA-N 2 2 325.250 3.003 10 0 EGAELP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423121701 309387047 /nfs/dbraw/zinc/38/70/47/309387047.db2.gz BCOARGCSINGVMV-RTWAWAEBSA-N 2 2 340.442 3.349 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161321 309388934 /nfs/dbraw/zinc/38/89/34/309388934.db2.gz IYEKLUZDYWSYRV-OALUTQOASA-N 2 2 346.515 3.409 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423184281 309389457 /nfs/dbraw/zinc/38/94/57/309389457.db2.gz IDVYTYIHMXUIDF-GOSISDBHSA-N 2 2 334.847 3.385 10 0 EGAELP Cc1ccc2c(c1)OCCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423229454 309391334 /nfs/dbraw/zinc/39/13/34/309391334.db2.gz HASSBISGPJDNBE-GOSISDBHSA-N 2 2 338.455 3.125 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423232716 309391588 /nfs/dbraw/zinc/39/15/88/309391588.db2.gz CQZBUCMUCKXXDA-VLIAUNLRSA-N 3 2 326.488 3.323 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423244997 309392189 /nfs/dbraw/zinc/39/21/89/309392189.db2.gz IHIGKFUMNHSYLZ-KDOFPFPSSA-N 2 2 328.456 3.233 10 0 EGAELP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423499759 309403155 /nfs/dbraw/zinc/40/31/55/309403155.db2.gz JQIZLOMQYDNJSI-YVEFUNNKSA-N 2 2 333.867 3.089 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449079587 310035274 /nfs/dbraw/zinc/03/52/74/310035274.db2.gz ZJNHOITVLMBTNX-NSHDSACASA-N 2 2 334.395 3.463 10 0 EGAELP CCS(=O)(=O)C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449144344 310040206 /nfs/dbraw/zinc/04/02/06/310040206.db2.gz ZKTRTJDEIFASCZ-OAHLLOKOSA-N 2 2 346.581 3.078 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000449247575 310047459 /nfs/dbraw/zinc/04/74/59/310047459.db2.gz GQCVXJKKOAUSGG-JXFKEZNVSA-N 2 2 344.524 3.467 10 0 EGAELP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449285932 310050252 /nfs/dbraw/zinc/05/02/52/310050252.db2.gz RQZIQEGJGSCWKQ-YLJYHZDGSA-N 2 2 328.456 3.091 10 0 EGAELP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000449285932 310050253 /nfs/dbraw/zinc/05/02/53/310050253.db2.gz RQZIQEGJGSCWKQ-YLJYHZDGSA-N 2 2 328.456 3.091 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388847 310058191 /nfs/dbraw/zinc/05/81/91/310058191.db2.gz QNGSOARCGBBIAR-KBPBESRZSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388847 310058192 /nfs/dbraw/zinc/05/81/92/310058192.db2.gz QNGSOARCGBBIAR-KBPBESRZSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388854 310058223 /nfs/dbraw/zinc/05/82/23/310058223.db2.gz QNGSOARCGBBIAR-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388854 310058224 /nfs/dbraw/zinc/05/82/24/310058224.db2.gz QNGSOARCGBBIAR-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3CCO)CC2)cc1 ZINC000449389937 310058318 /nfs/dbraw/zinc/05/83/18/310058318.db2.gz FDXOZVIXOUWYBG-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3CCO)CC2)cc1 ZINC000449389937 310058319 /nfs/dbraw/zinc/05/83/19/310058319.db2.gz FDXOZVIXOUWYBG-UUKMXZOPSA-N 2 2 346.515 3.158 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000449527125 310069415 /nfs/dbraw/zinc/06/94/15/310069415.db2.gz ZQLYEQLZVHIISK-LJQANCHMSA-N 2 2 347.528 3.095 10 0 EGAELP CC(C)OCCOC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000449730987 310083003 /nfs/dbraw/zinc/08/30/03/310083003.db2.gz SZUXQGANADGHLB-UHFFFAOYSA-N 2 2 349.500 3.340 10 0 EGAELP CCCn1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449788902 310087498 /nfs/dbraw/zinc/08/74/98/310087498.db2.gz YRUGPIHQEJXHOR-UHFFFAOYSA-N 2 2 332.414 3.142 10 0 EGAELP CCCn1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449788902 310087499 /nfs/dbraw/zinc/08/74/99/310087499.db2.gz YRUGPIHQEJXHOR-UHFFFAOYSA-N 2 2 332.414 3.142 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)ccc21 ZINC000452352818 310224636 /nfs/dbraw/zinc/22/46/36/310224636.db2.gz IDELFTDXKNFQNU-INIZCTEOSA-N 2 2 335.411 3.013 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccsc2S1 ZINC000453275294 310268674 /nfs/dbraw/zinc/26/86/74/310268674.db2.gz WVULGYGDVWKKGG-YDHLFZDLSA-N 2 2 326.531 3.110 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccsc2S1 ZINC000453275294 310268675 /nfs/dbraw/zinc/26/86/75/310268675.db2.gz WVULGYGDVWKKGG-YDHLFZDLSA-N 2 2 326.531 3.110 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453318237 310270901 /nfs/dbraw/zinc/27/09/01/310270901.db2.gz LFMYWFNFAPDZPO-VAMGGRTRSA-N 2 2 338.499 3.436 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453318237 310270902 /nfs/dbraw/zinc/27/09/02/310270902.db2.gz LFMYWFNFAPDZPO-VAMGGRTRSA-N 2 2 338.499 3.436 10 0 EGAELP C[C@@H]1CCC[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000460505147 310583874 /nfs/dbraw/zinc/58/38/74/310583874.db2.gz SPFCVJCPBBRYLV-MOPGFXCFSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)[C@H]1CC1(C)C ZINC000487276241 311018635 /nfs/dbraw/zinc/01/86/35/311018635.db2.gz JPECAQIVBXWGPT-GDBMZVCRSA-N 2 2 342.487 3.284 10 0 EGAELP Clc1ccc(Cl)c(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000488428864 311065029 /nfs/dbraw/zinc/06/50/29/311065029.db2.gz ZLDKUDJFKYDXHJ-CQSZACIVSA-N 2 2 343.298 3.190 10 0 EGAELP COC(=O)c1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000491058287 311162235 /nfs/dbraw/zinc/16/22/35/311162235.db2.gz GDMUMXCZXDEHIO-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1oc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000491058287 311162237 /nfs/dbraw/zinc/16/22/37/311162237.db2.gz GDMUMXCZXDEHIO-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064866 311163074 /nfs/dbraw/zinc/16/30/74/311163074.db2.gz ZCWDQVXZLVEKGQ-VAMGGRTRSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064866 311163075 /nfs/dbraw/zinc/16/30/75/311163075.db2.gz ZCWDQVXZLVEKGQ-VAMGGRTRSA-N 2 2 349.563 3.269 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000497411609 311857908 /nfs/dbraw/zinc/85/79/08/311857908.db2.gz QJRAZPHZSPKWJK-NZSAHSFTSA-N 2 2 329.488 3.235 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000525833503 312759141 /nfs/dbraw/zinc/75/91/41/312759141.db2.gz HLPDDJYUYXJFAJ-HXUWFJFHSA-N 2 2 338.499 3.382 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787212 313173405 /nfs/dbraw/zinc/17/34/05/313173405.db2.gz HUQAFANNQMRDQG-GOSISDBHSA-N 2 2 335.411 3.013 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787212 313173408 /nfs/dbraw/zinc/17/34/08/313173408.db2.gz HUQAFANNQMRDQG-GOSISDBHSA-N 2 2 335.411 3.013 10 0 EGAELP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529665211 313380620 /nfs/dbraw/zinc/38/06/20/313380620.db2.gz VENMRDXIFZTVKD-KRWDZBQOSA-N 2 2 334.479 3.334 10 0 EGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218191 313499017 /nfs/dbraw/zinc/49/90/17/313499017.db2.gz VTEMVMCXLNJHLE-PWSUYJOCSA-N 2 2 327.291 3.372 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530217858 313499142 /nfs/dbraw/zinc/49/91/42/313499142.db2.gz HRVYVMYPNMHBMT-ABAIWWIYSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000540156137 314366335 /nfs/dbraw/zinc/36/63/35/314366335.db2.gz DTBANYDXQGGKKW-HFAKWTLXSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000540156137 314366338 /nfs/dbraw/zinc/36/63/38/314366338.db2.gz DTBANYDXQGGKKW-HFAKWTLXSA-N 2 2 329.257 3.059 10 0 EGAELP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000540504633 314385298 /nfs/dbraw/zinc/38/52/98/314385298.db2.gz QMNOGIIFWQEMQN-OAHLLOKOSA-N 2 2 329.444 3.278 10 0 EGAELP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000540504633 314385300 /nfs/dbraw/zinc/38/53/00/314385300.db2.gz QMNOGIIFWQEMQN-OAHLLOKOSA-N 2 2 329.444 3.278 10 0 EGAELP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424886 315008280 /nfs/dbraw/zinc/00/82/80/315008280.db2.gz FGDSFCDOMOAYOM-DAYGRLMNSA-N 2 2 349.906 3.076 10 0 EGAELP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424886 315008282 /nfs/dbraw/zinc/00/82/82/315008282.db2.gz FGDSFCDOMOAYOM-DAYGRLMNSA-N 2 2 349.906 3.076 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(=O)[nH]n2)c(C)c1 ZINC000552063301 315194857 /nfs/dbraw/zinc/19/48/57/315194857.db2.gz VWQQJMJMOMCRLR-MAUKXSAKSA-N 2 2 337.427 3.088 10 0 EGAELP COC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000555349211 315380699 /nfs/dbraw/zinc/38/06/99/315380699.db2.gz BMHBDGJBCAXRFU-QZNJRLLKSA-N 2 2 336.479 3.422 10 0 EGAELP COC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000555349211 315380702 /nfs/dbraw/zinc/38/07/02/315380702.db2.gz BMHBDGJBCAXRFU-QZNJRLLKSA-N 2 2 336.479 3.422 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n1C ZINC000564226593 316125812 /nfs/dbraw/zinc/12/58/12/316125812.db2.gz CKXHMDNFPDPORU-CQSZACIVSA-N 2 2 336.233 3.104 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000565539845 316337706 /nfs/dbraw/zinc/33/77/06/316337706.db2.gz FICHQCNISRNWCC-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000565539845 316337709 /nfs/dbraw/zinc/33/77/09/316337709.db2.gz FICHQCNISRNWCC-SFHVURJKSA-N 2 2 330.863 3.101 10 0 EGAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212664 317023020 /nfs/dbraw/zinc/02/30/20/317023020.db2.gz VVPGPJSUZPPILU-QUCCMNQESA-N 3 2 338.499 3.306 10 0 EGAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212664 317023021 /nfs/dbraw/zinc/02/30/21/317023021.db2.gz VVPGPJSUZPPILU-QUCCMNQESA-N 3 2 338.499 3.306 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000571321114 317182686 /nfs/dbraw/zinc/18/26/86/317182686.db2.gz RNMQYYWUGMXHSZ-UHFFFAOYSA-N 2 2 334.423 3.387 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000571932025 317267668 /nfs/dbraw/zinc/26/76/68/317267668.db2.gz STOWFFBTCXGRKR-CABCVRRESA-N 2 2 346.272 3.177 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000571932025 317267669 /nfs/dbraw/zinc/26/76/69/317267669.db2.gz STOWFFBTCXGRKR-CABCVRRESA-N 2 2 346.272 3.177 10 0 EGAELP CCC(CC)(C[NH2+]C[C@@H](O)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000572029034 317281171 /nfs/dbraw/zinc/28/11/71/317281171.db2.gz NWFNJEISJGRUSD-DZGCQCFKSA-N 2 2 332.410 3.409 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242623 317310872 /nfs/dbraw/zinc/31/08/72/317310872.db2.gz TVQVDXLXMVBFND-RBUKOAKNSA-N 2 2 325.500 3.010 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242623 317310873 /nfs/dbraw/zinc/31/08/73/317310873.db2.gz TVQVDXLXMVBFND-RBUKOAKNSA-N 2 2 325.500 3.010 10 0 EGAELP Cc1csc([C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000572762993 317388289 /nfs/dbraw/zinc/38/82/89/317388289.db2.gz AFDMLIJPGSAADO-LSDHHAIUSA-N 2 2 344.484 3.130 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558245 324279694 /nfs/dbraw/zinc/27/96/94/324279694.db2.gz SMOHXUHWGSDGNK-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558245 324279698 /nfs/dbraw/zinc/27/96/98/324279698.db2.gz SMOHXUHWGSDGNK-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)Cc2ccccc2)c(C)c1 ZINC000579029599 325053238 /nfs/dbraw/zinc/05/32/38/325053238.db2.gz FFGYBKFLPUDKKN-IRLDBZIGSA-N 2 2 349.478 3.434 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1sccc1Br ZINC000580803134 325296940 /nfs/dbraw/zinc/29/69/40/325296940.db2.gz BBFVYAUFYOMKNE-RKDXNWHRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1sccc1Br ZINC000580803134 325296944 /nfs/dbraw/zinc/29/69/44/325296944.db2.gz BBFVYAUFYOMKNE-RKDXNWHRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157685839 455220519 /nfs/dbraw/zinc/22/05/19/455220519.db2.gz VPMRSLMSSYYCGX-UYAOXDASSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000157685839 455220524 /nfs/dbraw/zinc/22/05/24/455220524.db2.gz VPMRSLMSSYYCGX-UYAOXDASSA-N 2 2 326.488 3.306 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000173315268 455264502 /nfs/dbraw/zinc/26/45/02/455264502.db2.gz WKGGYYKXUTUIAL-CQSZACIVSA-N 2 2 338.411 3.135 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000265512266 455336917 /nfs/dbraw/zinc/33/69/17/455336917.db2.gz RIWBBVLMULTNRU-MRXNPFEDSA-N 2 2 340.471 3.083 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889667 460589175 /nfs/dbraw/zinc/58/91/75/460589175.db2.gz LEBCCHISJXULNC-DZGCQCFKSA-N 2 2 328.378 3.202 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889667 460589180 /nfs/dbraw/zinc/58/91/80/460589180.db2.gz LEBCCHISJXULNC-DZGCQCFKSA-N 2 2 328.378 3.202 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511290 460589218 /nfs/dbraw/zinc/58/92/18/460589218.db2.gz IWFHHBOGFQRTDW-WCQYABFASA-N 2 2 326.282 3.368 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511290 460589222 /nfs/dbraw/zinc/58/92/22/460589222.db2.gz IWFHHBOGFQRTDW-WCQYABFASA-N 2 2 326.282 3.368 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573515 460620141 /nfs/dbraw/zinc/62/01/41/460620141.db2.gz LLATVYORUBSINA-RISCZKNCSA-N 2 2 331.287 3.489 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573515 460620146 /nfs/dbraw/zinc/62/01/46/460620146.db2.gz LLATVYORUBSINA-RISCZKNCSA-N 2 2 331.287 3.489 10 0 EGAELP CNc1c2ccccc2[nH+]c(-c2ccccc2)c1C(=O)NCC[NH+](C)C ZINC000033883151 453917117 /nfs/dbraw/zinc/91/71/17/453917117.db2.gz AIYRPJAODKMYNK-UHFFFAOYSA-N 2 2 348.450 3.235 10 0 EGAELP c1cn(-c2cc(NCc3ccccc3C[NH+]3CCCCC3)ncn2)c[nH+]1 ZINC000077187955 454072296 /nfs/dbraw/zinc/07/22/96/454072296.db2.gz KMYPNUYPSRORJC-UHFFFAOYSA-N 2 2 348.454 3.260 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000133074308 454390754 /nfs/dbraw/zinc/39/07/54/454390754.db2.gz VPOHNYWSKMVWKL-MRXNPFEDSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000133074308 454390759 /nfs/dbraw/zinc/39/07/59/454390759.db2.gz VPOHNYWSKMVWKL-MRXNPFEDSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cn(C)nc1C1CCCCC1)C2 ZINC000097086544 454403844 /nfs/dbraw/zinc/40/38/44/454403844.db2.gz HCZZHDRTUGOUEK-QGZVFWFLSA-N 2 2 327.476 3.077 10 0 EGAELP CCCn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121805499 454479113 /nfs/dbraw/zinc/47/91/13/454479113.db2.gz QAKKCMSYLOKSTA-FQEVSTJZSA-N 2 2 326.488 3.437 10 0 EGAELP CCCn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000121805499 454479116 /nfs/dbraw/zinc/47/91/16/454479116.db2.gz QAKKCMSYLOKSTA-FQEVSTJZSA-N 2 2 326.488 3.437 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000105897604 454666589 /nfs/dbraw/zinc/66/65/89/454666589.db2.gz LVFAEOZHHAEFFZ-CJNGLKHVSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000105897604 454666591 /nfs/dbraw/zinc/66/65/91/454666591.db2.gz LVFAEOZHHAEFFZ-CJNGLKHVSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000105897577 454666867 /nfs/dbraw/zinc/66/68/67/454666867.db2.gz MMQLHUYSLKHCRM-KRWDZBQOSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000105897577 454666868 /nfs/dbraw/zinc/66/68/68/454666868.db2.gz MMQLHUYSLKHCRM-KRWDZBQOSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000106216452 454685966 /nfs/dbraw/zinc/68/59/66/454685966.db2.gz FOZBJFFTCPTSTC-MRXNPFEDSA-N 2 2 346.862 3.375 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000106216452 454685969 /nfs/dbraw/zinc/68/59/69/454685969.db2.gz FOZBJFFTCPTSTC-MRXNPFEDSA-N 2 2 346.862 3.375 10 0 EGAELP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000161899649 454734089 /nfs/dbraw/zinc/73/40/89/454734089.db2.gz LACGCYKYHFKBRA-IEBWSBKVSA-N 2 2 349.482 3.300 10 0 EGAELP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000161899649 454734091 /nfs/dbraw/zinc/73/40/91/454734091.db2.gz LACGCYKYHFKBRA-IEBWSBKVSA-N 2 2 349.482 3.300 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271314 454835292 /nfs/dbraw/zinc/83/52/92/454835292.db2.gz YZNJOOAVUOVPRG-QGZVFWFLSA-N 3 2 335.923 3.236 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271314 454835296 /nfs/dbraw/zinc/83/52/96/454835296.db2.gz YZNJOOAVUOVPRG-QGZVFWFLSA-N 3 2 335.923 3.236 10 0 EGAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000177589189 454880731 /nfs/dbraw/zinc/88/07/31/454880731.db2.gz YPZFYKBTCADRCI-INIZCTEOSA-N 2 2 348.491 3.120 10 0 EGAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000113228430 454918438 /nfs/dbraw/zinc/91/84/38/454918438.db2.gz IQPQSCUFOWXTRG-DOTOQJQBSA-N 2 2 337.423 3.183 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653501 455083081 /nfs/dbraw/zinc/08/30/81/455083081.db2.gz AHUUZLLJNOBGCV-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653501 455083085 /nfs/dbraw/zinc/08/30/85/455083085.db2.gz AHUUZLLJNOBGCV-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156557546 455133176 /nfs/dbraw/zinc/13/31/76/455133176.db2.gz GWGURZXQQAPCDB-MJGOQNOKSA-N 2 2 340.471 3.208 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156557546 455133178 /nfs/dbraw/zinc/13/31/78/455133178.db2.gz GWGURZXQQAPCDB-MJGOQNOKSA-N 2 2 340.471 3.208 10 0 EGAELP C[C@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530886 455303597 /nfs/dbraw/zinc/30/35/97/455303597.db2.gz RLJIPYGNQJBSJW-IRXDYDNUSA-N 2 2 349.563 3.124 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000190474501 455327656 /nfs/dbraw/zinc/32/76/56/455327656.db2.gz BBMOGKUNXFPIEK-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000190474501 455327662 /nfs/dbraw/zinc/32/76/62/455327662.db2.gz BBMOGKUNXFPIEK-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000190474501 455327668 /nfs/dbraw/zinc/32/76/68/455327668.db2.gz BBMOGKUNXFPIEK-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000190474501 455327675 /nfs/dbraw/zinc/32/76/75/455327675.db2.gz BBMOGKUNXFPIEK-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2F)nc[nH+]1 ZINC000174289415 455376401 /nfs/dbraw/zinc/37/64/01/455376401.db2.gz IJYUWWIMAHMIHU-OCCSQVGLSA-N 2 2 347.413 3.116 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000174286030 455376749 /nfs/dbraw/zinc/37/67/49/455376749.db2.gz HKGSJKPHCPDQPV-DOTOQJQBSA-N 2 2 325.460 3.146 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000181987614 455411711 /nfs/dbraw/zinc/41/17/11/455411711.db2.gz VSFIDEKTVKESIG-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000175252553 455430527 /nfs/dbraw/zinc/43/05/27/455430527.db2.gz BNQQOSTUHJTZJX-CABCVRRESA-N 2 2 346.500 3.488 10 0 EGAELP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000175252553 455430533 /nfs/dbraw/zinc/43/05/33/455430533.db2.gz BNQQOSTUHJTZJX-CABCVRRESA-N 2 2 346.500 3.488 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182089601 455433121 /nfs/dbraw/zinc/43/31/21/455433121.db2.gz NKMPAXFVBFLIBQ-KSSFIOAISA-N 2 2 326.431 3.220 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000175645128 455476132 /nfs/dbraw/zinc/47/61/32/455476132.db2.gz DMVUPESTGXAWOL-LBPRGKRZSA-N 2 2 333.399 3.031 10 0 EGAELP Cc1cn2cc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2[nH+]1 ZINC000267294926 455533467 /nfs/dbraw/zinc/53/34/67/455533467.db2.gz JLHMVOQYSURSCA-UHFFFAOYSA-N 2 2 341.459 3.171 10 0 EGAELP COc1ccc(C[C@H](C)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000185316250 455537555 /nfs/dbraw/zinc/53/75/55/455537555.db2.gz CDAWVPBGCPFZPJ-HNNXBMFYSA-N 2 2 341.430 3.493 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182609708 455552582 /nfs/dbraw/zinc/55/25/82/455552582.db2.gz XDOZCMRWYQDWBI-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182609708 455552583 /nfs/dbraw/zinc/55/25/83/455552583.db2.gz XDOZCMRWYQDWBI-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205048 455573481 /nfs/dbraw/zinc/57/34/81/455573481.db2.gz WOLGFSLPPZEUFC-RXVVDRJESA-N 3 2 329.532 3.279 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205048 455573482 /nfs/dbraw/zinc/57/34/82/455573482.db2.gz WOLGFSLPPZEUFC-RXVVDRJESA-N 3 2 329.532 3.279 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000247290989 455584641 /nfs/dbraw/zinc/58/46/41/455584641.db2.gz HKTWGCGQFKRCFZ-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000247290989 455584644 /nfs/dbraw/zinc/58/46/44/455584644.db2.gz HKTWGCGQFKRCFZ-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247308628 455585926 /nfs/dbraw/zinc/58/59/26/455585926.db2.gz QILUZSZNQDOEBB-PBHICJAKSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247308628 455585927 /nfs/dbraw/zinc/58/59/27/455585927.db2.gz QILUZSZNQDOEBB-PBHICJAKSA-N 2 2 346.862 3.367 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cs2)c1 ZINC000292241802 455605925 /nfs/dbraw/zinc/60/59/25/455605925.db2.gz WVPPLRZZOHLTTA-LJQANCHMSA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cs2)c1 ZINC000292241802 455605928 /nfs/dbraw/zinc/60/59/28/455605928.db2.gz WVPPLRZZOHLTTA-LJQANCHMSA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cs2)c1 ZINC000292241802 455605930 /nfs/dbraw/zinc/60/59/30/455605930.db2.gz WVPPLRZZOHLTTA-LJQANCHMSA-N 2 2 343.496 3.346 10 0 EGAELP COc1cccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cs2)c1 ZINC000292241802 455605932 /nfs/dbraw/zinc/60/59/32/455605932.db2.gz WVPPLRZZOHLTTA-LJQANCHMSA-N 2 2 343.496 3.346 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245457 455607468 /nfs/dbraw/zinc/60/74/68/455607468.db2.gz XFFMZIATKDLWRR-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245457 455607469 /nfs/dbraw/zinc/60/74/69/455607469.db2.gz XFFMZIATKDLWRR-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245457 455607470 /nfs/dbraw/zinc/60/74/70/455607470.db2.gz XFFMZIATKDLWRR-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)ccc1F ZINC000292245457 455607471 /nfs/dbraw/zinc/60/74/71/455607471.db2.gz XFFMZIATKDLWRR-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1F ZINC000249458597 455756601 /nfs/dbraw/zinc/75/66/01/455756601.db2.gz YTRHUSUVBXNOQN-CRAIPNDOSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1F ZINC000249458597 455756605 /nfs/dbraw/zinc/75/66/05/455756605.db2.gz YTRHUSUVBXNOQN-CRAIPNDOSA-N 2 2 343.446 3.230 10 0 EGAELP Brc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250785804 455788834 /nfs/dbraw/zinc/78/88/34/455788834.db2.gz UZRQMNMBTIECGK-QWHCGFSZSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250785804 455788827 /nfs/dbraw/zinc/78/88/27/455788827.db2.gz UZRQMNMBTIECGK-QWHCGFSZSA-N 2 2 329.307 3.475 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000252213746 455803052 /nfs/dbraw/zinc/80/30/52/455803052.db2.gz YTHAWDYAENILDU-KYOSRNDESA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CC[N@H+]1C ZINC000252213746 455803055 /nfs/dbraw/zinc/80/30/55/455803055.db2.gz YTHAWDYAENILDU-KYOSRNDESA-N 2 2 339.277 3.345 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)o1 ZINC000623728975 460694806 /nfs/dbraw/zinc/69/48/06/460694806.db2.gz IROVMZLGCKHLMX-KRWDZBQOSA-N 2 2 328.460 3.095 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)o1 ZINC000623728975 460694813 /nfs/dbraw/zinc/69/48/13/460694813.db2.gz IROVMZLGCKHLMX-KRWDZBQOSA-N 2 2 328.460 3.095 10 0 EGAELP COc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261611850 455913633 /nfs/dbraw/zinc/91/36/33/455913633.db2.gz BZXCYXWCNZBUJX-KRWDZBQOSA-N 2 2 343.496 3.296 10 0 EGAELP COc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261611850 455913637 /nfs/dbraw/zinc/91/36/37/455913637.db2.gz BZXCYXWCNZBUJX-KRWDZBQOSA-N 2 2 343.496 3.296 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231838 455923154 /nfs/dbraw/zinc/92/31/54/455923154.db2.gz KIIAPBHQGGDTOM-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231838 455923158 /nfs/dbraw/zinc/92/31/58/455923158.db2.gz KIIAPBHQGGDTOM-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231838 455923162 /nfs/dbraw/zinc/92/31/62/455923162.db2.gz KIIAPBHQGGDTOM-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231838 455923168 /nfs/dbraw/zinc/92/31/68/455923168.db2.gz KIIAPBHQGGDTOM-KXBFYZLASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261885280 455964728 /nfs/dbraw/zinc/96/47/28/455964728.db2.gz RVZNGOOYOWWULT-MRXNPFEDSA-N 2 2 344.286 3.253 10 0 EGAELP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261885280 455964730 /nfs/dbraw/zinc/96/47/30/455964730.db2.gz RVZNGOOYOWWULT-MRXNPFEDSA-N 2 2 344.286 3.253 10 0 EGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515749 455974214 /nfs/dbraw/zinc/97/42/14/455974214.db2.gz GTSJZEPUCWXKAR-IAGOWNOFSA-N 2 2 338.455 3.151 10 0 EGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515749 455974219 /nfs/dbraw/zinc/97/42/19/455974219.db2.gz GTSJZEPUCWXKAR-IAGOWNOFSA-N 2 2 338.455 3.151 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000195515969 455976036 /nfs/dbraw/zinc/97/60/36/455976036.db2.gz QQQCGYFAKUZWCL-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000195515969 455976038 /nfs/dbraw/zinc/97/60/38/455976038.db2.gz QQQCGYFAKUZWCL-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OCC ZINC000629672167 460860118 /nfs/dbraw/zinc/86/01/18/460860118.db2.gz LOTUJLYWSFPKHO-SWLSCSKDSA-N 2 2 326.868 3.368 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000262041117 455988975 /nfs/dbraw/zinc/98/89/75/455988975.db2.gz YNKARMSVMZFFGE-IMJJTQAJSA-N 2 2 329.271 3.240 10 0 EGAELP COc1cccc2c(NC[C@H](C)[N@@H+]3CCOC[C@@H]3C)cc(C)[nH+]c12 ZINC000301641864 456172367 /nfs/dbraw/zinc/17/23/67/456172367.db2.gz BNZAPGKNRRUQBI-GJZGRUSLSA-N 2 2 329.444 3.073 10 0 EGAELP COc1cccc2c(NC[C@H](C)[N@H+]3CCOC[C@@H]3C)cc(C)[nH+]c12 ZINC000301641864 456172371 /nfs/dbraw/zinc/17/23/71/456172371.db2.gz BNZAPGKNRRUQBI-GJZGRUSLSA-N 2 2 329.444 3.073 10 0 EGAELP CCc1nnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174877 456200939 /nfs/dbraw/zinc/20/09/39/456200939.db2.gz PKAOBSBATSBUAB-ZBFHGGJFSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000273174877 456200945 /nfs/dbraw/zinc/20/09/45/456200945.db2.gz PKAOBSBATSBUAB-ZBFHGGJFSA-N 2 2 330.501 3.101 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Br)c1 ZINC000289999591 456212633 /nfs/dbraw/zinc/21/26/33/456212633.db2.gz LAHBUMXAYAIIQK-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Br)c1 ZINC000289999591 456212640 /nfs/dbraw/zinc/21/26/40/456212640.db2.gz LAHBUMXAYAIIQK-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999591 456212644 /nfs/dbraw/zinc/21/26/44/456212644.db2.gz LAHBUMXAYAIIQK-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999591 456212651 /nfs/dbraw/zinc/21/26/51/456212651.db2.gz LAHBUMXAYAIIQK-TZMCWYRMSA-N 2 2 341.293 3.372 10 0 EGAELP CC[NH+]1CCC(CCNc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301857636 456233529 /nfs/dbraw/zinc/23/35/29/456233529.db2.gz CQDCKIHAUUVDQP-UHFFFAOYSA-N 2 2 330.480 3.115 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189197005 456252308 /nfs/dbraw/zinc/25/23/08/456252308.db2.gz MGYZPCSLNLWOBZ-CRAIPNDOSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189197005 456252313 /nfs/dbraw/zinc/25/23/13/456252313.db2.gz MGYZPCSLNLWOBZ-CRAIPNDOSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189197005 456252320 /nfs/dbraw/zinc/25/23/20/456252320.db2.gz MGYZPCSLNLWOBZ-CRAIPNDOSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189197005 456252326 /nfs/dbraw/zinc/25/23/26/456252326.db2.gz MGYZPCSLNLWOBZ-CRAIPNDOSA-N 2 2 330.451 3.174 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc2[nH+]1 ZINC000263907918 456262500 /nfs/dbraw/zinc/26/25/00/456262500.db2.gz IJZMSOYVBMHKMR-CQSZACIVSA-N 2 2 343.456 3.129 10 0 EGAELP CCc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000302048513 456275678 /nfs/dbraw/zinc/27/56/78/456275678.db2.gz MHFDVRVEVPIVIG-BBRMVZONSA-N 2 2 346.500 3.283 10 0 EGAELP CCc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000302048513 456275679 /nfs/dbraw/zinc/27/56/79/456275679.db2.gz MHFDVRVEVPIVIG-BBRMVZONSA-N 2 2 346.500 3.283 10 0 EGAELP CC(C)Oc1cc[nH+]cc1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290337287 456297876 /nfs/dbraw/zinc/29/78/76/456297876.db2.gz KADNEJRKFJFOBZ-GOSISDBHSA-N 2 2 338.423 3.125 10 0 EGAELP CC(C)Oc1cc[nH+]cc1COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000290337287 456297882 /nfs/dbraw/zinc/29/78/82/456297882.db2.gz KADNEJRKFJFOBZ-GOSISDBHSA-N 2 2 338.423 3.125 10 0 EGAELP CC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302186517 456310888 /nfs/dbraw/zinc/31/08/88/456310888.db2.gz PQDNFCDIZOMSHO-PBHICJAKSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302186517 456310893 /nfs/dbraw/zinc/31/08/93/456310893.db2.gz PQDNFCDIZOMSHO-PBHICJAKSA-N 2 2 336.361 3.450 10 0 EGAELP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cnn3ccccc23)CC1 ZINC000275797202 456316079 /nfs/dbraw/zinc/31/60/79/456316079.db2.gz SQYZVWVFALIHLW-HXUWFJFHSA-N 2 2 349.482 3.216 10 0 EGAELP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cnn3ccccc23)CC1 ZINC000275797202 456316085 /nfs/dbraw/zinc/31/60/85/456316085.db2.gz SQYZVWVFALIHLW-HXUWFJFHSA-N 2 2 349.482 3.216 10 0 EGAELP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC000275797202 456316091 /nfs/dbraw/zinc/31/60/91/456316091.db2.gz SQYZVWVFALIHLW-HXUWFJFHSA-N 2 2 349.482 3.216 10 0 EGAELP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC000275797202 456316094 /nfs/dbraw/zinc/31/60/94/456316094.db2.gz SQYZVWVFALIHLW-HXUWFJFHSA-N 2 2 349.482 3.216 10 0 EGAELP CCC[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000342943295 456327624 /nfs/dbraw/zinc/32/76/24/456327624.db2.gz PMOXSPGQKMOOPC-LJQANCHMSA-N 2 2 326.488 3.122 10 0 EGAELP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823506 456339982 /nfs/dbraw/zinc/33/99/82/456339982.db2.gz NPSWDTIJGVPFDC-AZUAARDMSA-N 3 2 342.531 3.176 10 0 EGAELP CCOCC[N@@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@H]1C ZINC000302670319 456371946 /nfs/dbraw/zinc/37/19/46/456371946.db2.gz RHFDXGROXFHELU-MRXNPFEDSA-N 2 2 343.471 3.099 10 0 EGAELP CCOCC[N@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@H]1C ZINC000302670319 456371948 /nfs/dbraw/zinc/37/19/48/456371948.db2.gz RHFDXGROXFHELU-MRXNPFEDSA-N 2 2 343.471 3.099 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000340334191 456396534 /nfs/dbraw/zinc/39/65/34/456396534.db2.gz GBFNFBRKLYOSAN-UHFFFAOYSA-N 2 2 339.483 3.333 10 0 EGAELP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000303114023 456446327 /nfs/dbraw/zinc/44/63/27/456446327.db2.gz PYRFLUZPZBCKQM-LJQANCHMSA-N 2 2 348.531 3.058 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000657796805 462272450 /nfs/dbraw/zinc/27/24/50/462272450.db2.gz ICFBARWRHJSCFQ-MJGOQNOKSA-N 2 2 343.515 3.065 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000657796805 462272455 /nfs/dbraw/zinc/27/24/55/462272455.db2.gz ICFBARWRHJSCFQ-MJGOQNOKSA-N 2 2 343.515 3.065 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321325802 456637511 /nfs/dbraw/zinc/63/75/11/456637511.db2.gz SCXPVESBIISFJM-GOEBONIOSA-N 2 2 328.485 3.169 10 0 EGAELP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321325802 456637518 /nfs/dbraw/zinc/63/75/18/456637518.db2.gz SCXPVESBIISFJM-GOEBONIOSA-N 2 2 328.485 3.169 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324585061 456669602 /nfs/dbraw/zinc/66/96/02/456669602.db2.gz BXDRUAFUSKEEPV-AEFFLSMTSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324585061 456669607 /nfs/dbraw/zinc/66/96/07/456669607.db2.gz BXDRUAFUSKEEPV-AEFFLSMTSA-N 2 2 329.488 3.213 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000324603186 456670238 /nfs/dbraw/zinc/67/02/38/456670238.db2.gz IGRBWXANSBQMKD-NVXWUHKLSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000324603186 456670242 /nfs/dbraw/zinc/67/02/42/456670242.db2.gz IGRBWXANSBQMKD-NVXWUHKLSA-N 2 2 326.444 3.009 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000325087513 456678192 /nfs/dbraw/zinc/67/81/92/456678192.db2.gz IYSHUIDOSZMNRG-HUUCEWRRSA-N 2 2 346.500 3.337 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000325087513 456678196 /nfs/dbraw/zinc/67/81/96/456678196.db2.gz IYSHUIDOSZMNRG-HUUCEWRRSA-N 2 2 346.500 3.337 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000343566895 456710860 /nfs/dbraw/zinc/71/08/60/456710860.db2.gz LFTLYPNGWZWEPZ-WBVHZDCISA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000343566895 456710868 /nfs/dbraw/zinc/71/08/68/456710868.db2.gz LFTLYPNGWZWEPZ-WBVHZDCISA-N 2 2 341.455 3.312 10 0 EGAELP Cc1cc(NCCC[NH+]2CCC(C)CC2)nc(-c2cccnc2)[nH+]1 ZINC000301124076 456802227 /nfs/dbraw/zinc/80/22/27/456802227.db2.gz UIFQDGPBHOMTGP-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000301133761 456805325 /nfs/dbraw/zinc/80/53/25/456805325.db2.gz VXQTUOLIJSFHRS-UHFFFAOYSA-N 2 2 332.245 3.282 10 0 EGAELP COc1ccc2c(c1)OCC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000338996844 456892759 /nfs/dbraw/zinc/89/27/59/456892759.db2.gz ICNJBLPWZMTHDK-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP COc1ccc2c(c1)OCC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000338996844 456892762 /nfs/dbraw/zinc/89/27/62/456892762.db2.gz ICNJBLPWZMTHDK-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP CC[N@@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360175452 457288561 /nfs/dbraw/zinc/28/85/61/457288561.db2.gz UWBGSVFPOAYNQT-YOEHRIQHSA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360175452 457288566 /nfs/dbraw/zinc/28/85/66/457288566.db2.gz UWBGSVFPOAYNQT-YOEHRIQHSA-N 2 2 336.361 3.450 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352116724 457338965 /nfs/dbraw/zinc/33/89/65/457338965.db2.gz ZIRXXWDWBLUBSJ-IEBWSBKVSA-N 2 2 332.488 3.391 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352116724 457338969 /nfs/dbraw/zinc/33/89/69/457338969.db2.gz ZIRXXWDWBLUBSJ-IEBWSBKVSA-N 2 2 332.488 3.391 10 0 EGAELP COc1cc[nH+]c(CN(CC[NH+]2CCCCCC2)C(C)C)c1OC ZINC000347349954 457368486 /nfs/dbraw/zinc/36/84/86/457368486.db2.gz WHVOXYIZXWKQSQ-UHFFFAOYSA-N 2 2 335.492 3.185 10 0 EGAELP CCC[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000342589089 457384217 /nfs/dbraw/zinc/38/42/17/457384217.db2.gz LORCZAMKWZYYID-SFHVURJKSA-N 2 2 340.471 3.247 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000379895254 457417995 /nfs/dbraw/zinc/41/79/95/457417995.db2.gz GBKRHNZMZBRIEN-MJGOQNOKSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000379895254 457418004 /nfs/dbraw/zinc/41/80/04/457418004.db2.gz GBKRHNZMZBRIEN-MJGOQNOKSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000379895248 457418090 /nfs/dbraw/zinc/41/80/90/457418090.db2.gz GBKRHNZMZBRIEN-IEBWSBKVSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000379895248 457418098 /nfs/dbraw/zinc/41/80/98/457418098.db2.gz GBKRHNZMZBRIEN-IEBWSBKVSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)C[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCc2cccnc21 ZINC000425338376 457503314 /nfs/dbraw/zinc/50/33/14/457503314.db2.gz PCHNWANWPRTPRO-GOSISDBHSA-N 2 2 341.503 3.417 10 0 EGAELP CC(C)C[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCc2cccnc21 ZINC000425338376 457503324 /nfs/dbraw/zinc/50/33/24/457503324.db2.gz PCHNWANWPRTPRO-GOSISDBHSA-N 2 2 341.503 3.417 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503295 /nfs/dbraw/zinc/50/32/95/457503295.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 3 2 330.520 3.275 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503304 /nfs/dbraw/zinc/50/33/04/457503304.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 3 2 330.520 3.275 10 0 EGAELP c1nc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503311 /nfs/dbraw/zinc/50/33/11/457503311.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 2 2 330.520 3.275 10 0 EGAELP c1nc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503322 /nfs/dbraw/zinc/50/33/22/457503322.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 2 2 330.520 3.275 10 0 EGAELP c1[nH+]c([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503327 /nfs/dbraw/zinc/50/33/27/457503327.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 2 2 330.520 3.275 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000361011192 457510428 /nfs/dbraw/zinc/51/04/28/457510428.db2.gz CTNLSEHNPFOMIU-UHFFFAOYSA-N 2 2 336.863 3.233 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000374210822 457522547 /nfs/dbraw/zinc/52/25/47/457522547.db2.gz WPDYCRVTCPQVSF-MRXNPFEDSA-N 2 2 340.471 3.083 10 0 EGAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787970 457529089 /nfs/dbraw/zinc/52/90/89/457529089.db2.gz WPKVRVIGFAXMTE-LIRRHRJNSA-N 2 2 341.434 3.079 10 0 EGAELP FC(F)(F)COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000370259129 457601557 /nfs/dbraw/zinc/60/15/57/457601557.db2.gz BLFILNJHVCQUKY-UHFFFAOYSA-N 2 2 339.361 3.450 10 0 EGAELP Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000370730586 457708792 /nfs/dbraw/zinc/70/87/92/457708792.db2.gz PISAJFXQQRJSCP-GOSISDBHSA-N 2 2 329.444 3.219 10 0 EGAELP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000370730586 457708796 /nfs/dbraw/zinc/70/87/96/457708796.db2.gz PISAJFXQQRJSCP-GOSISDBHSA-N 2 2 329.444 3.219 10 0 EGAELP COC(=O)[C@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000361395745 457717318 /nfs/dbraw/zinc/71/73/18/457717318.db2.gz PWUPYCAVCLGHHQ-WBVHZDCISA-N 2 2 343.471 3.398 10 0 EGAELP COC(=O)[C@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000361395745 457717319 /nfs/dbraw/zinc/71/73/19/457717319.db2.gz PWUPYCAVCLGHHQ-WBVHZDCISA-N 2 2 343.471 3.398 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000361456089 457737789 /nfs/dbraw/zinc/73/77/89/457737789.db2.gz HWBQLHOYAHPWNN-AYOQOUSVSA-N 2 2 330.497 3.424 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000361456089 457737793 /nfs/dbraw/zinc/73/77/93/457737793.db2.gz HWBQLHOYAHPWNN-AYOQOUSVSA-N 2 2 330.497 3.424 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481129 457822686 /nfs/dbraw/zinc/82/26/86/457822686.db2.gz KQKRSWOCXCPTGE-RBBKRZOGSA-N 2 2 349.478 3.394 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481129 457822693 /nfs/dbraw/zinc/82/26/93/457822693.db2.gz KQKRSWOCXCPTGE-RBBKRZOGSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481129 457822698 /nfs/dbraw/zinc/82/26/98/457822698.db2.gz KQKRSWOCXCPTGE-RBBKRZOGSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481129 457822702 /nfs/dbraw/zinc/82/27/02/457822702.db2.gz KQKRSWOCXCPTGE-RBBKRZOGSA-N 2 2 349.478 3.394 10 0 EGAELP CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375263705 457854907 /nfs/dbraw/zinc/85/49/07/457854907.db2.gz PRJVJXVTBZXGPE-INIZCTEOSA-N 2 2 348.535 3.218 10 0 EGAELP CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375263705 457854911 /nfs/dbraw/zinc/85/49/11/457854911.db2.gz PRJVJXVTBZXGPE-INIZCTEOSA-N 2 2 348.535 3.218 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000358349560 457951456 /nfs/dbraw/zinc/95/14/56/457951456.db2.gz FGAVMUXGZUBDCN-BPQTVZERSA-N 2 2 333.907 3.158 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000358349560 457951464 /nfs/dbraw/zinc/95/14/64/457951464.db2.gz FGAVMUXGZUBDCN-BPQTVZERSA-N 2 2 333.907 3.158 10 0 EGAELP Cc1ccsc1[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358657111 458133555 /nfs/dbraw/zinc/13/35/55/458133555.db2.gz YMEPTSSLANTGMP-CYBMUJFWSA-N 2 2 336.423 3.096 10 0 EGAELP COc1c(O)cccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447060148 458259909 /nfs/dbraw/zinc/25/99/09/458259909.db2.gz NQBWROXWGUDSDP-UHFFFAOYSA-N 2 2 328.412 3.148 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799571 458373335 /nfs/dbraw/zinc/37/33/35/458373335.db2.gz OYTXDUAIPXYATO-IEBWSBKVSA-N 2 2 337.552 3.125 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799571 458373337 /nfs/dbraw/zinc/37/33/37/458373337.db2.gz OYTXDUAIPXYATO-IEBWSBKVSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799571 458373338 /nfs/dbraw/zinc/37/33/38/458373338.db2.gz OYTXDUAIPXYATO-IEBWSBKVSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)[C@H](C)C1 ZINC000429799571 458373339 /nfs/dbraw/zinc/37/33/39/458373339.db2.gz OYTXDUAIPXYATO-IEBWSBKVSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423578718 458458216 /nfs/dbraw/zinc/45/82/16/458458216.db2.gz UVRDBGVIPJSYTO-AABGKKOBSA-N 3 2 327.516 3.148 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482720 458504960 /nfs/dbraw/zinc/50/49/60/458504960.db2.gz HGXVBNTWAUGRRR-LHUBUQBQSA-N 3 2 347.469 3.112 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482720 458504963 /nfs/dbraw/zinc/50/49/63/458504963.db2.gz HGXVBNTWAUGRRR-LHUBUQBQSA-N 3 2 347.469 3.112 10 0 EGAELP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)F ZINC000377798150 458531856 /nfs/dbraw/zinc/53/18/56/458531856.db2.gz FAMQEXRKQRNSCR-JQWIXIFHSA-N 2 2 337.370 3.228 10 0 EGAELP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)F ZINC000377798150 458531859 /nfs/dbraw/zinc/53/18/59/458531859.db2.gz FAMQEXRKQRNSCR-JQWIXIFHSA-N 2 2 337.370 3.228 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355066 458560629 /nfs/dbraw/zinc/56/06/29/458560629.db2.gz YFNWEUHCDHCJAV-QUCCMNQESA-N 2 2 344.499 3.089 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355066 458560633 /nfs/dbraw/zinc/56/06/33/458560633.db2.gz YFNWEUHCDHCJAV-QUCCMNQESA-N 2 2 344.499 3.089 10 0 EGAELP Cn1nnc2cc(C[NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)ccc21 ZINC000494487226 458687289 /nfs/dbraw/zinc/68/72/89/458687289.db2.gz QFJXCEYLQBHETG-NRFANRHFSA-N 2 2 349.482 3.113 10 0 EGAELP Cn1nnc2cc(C[NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000494487226 458687295 /nfs/dbraw/zinc/68/72/95/458687295.db2.gz QFJXCEYLQBHETG-NRFANRHFSA-N 2 2 349.482 3.113 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@H]3CCC[C@H]32)cc1 ZINC000530217225 458720558 /nfs/dbraw/zinc/72/05/58/458720558.db2.gz SJNRGUQCOSCOSF-PLACYPQZSA-N 3 2 339.527 3.304 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@H]3CCC[C@H]32)cc1 ZINC000530217225 458720561 /nfs/dbraw/zinc/72/05/61/458720561.db2.gz SJNRGUQCOSCOSF-PLACYPQZSA-N 3 2 339.527 3.304 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241341 458728091 /nfs/dbraw/zinc/72/80/91/458728091.db2.gz CEHPTZKWIAGLDP-IAGOWNOFSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241341 458728100 /nfs/dbraw/zinc/72/81/00/458728100.db2.gz CEHPTZKWIAGLDP-IAGOWNOFSA-N 2 2 342.405 3.345 10 0 EGAELP COc1ccc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2c1 ZINC000530499969 458779090 /nfs/dbraw/zinc/77/90/90/458779090.db2.gz PSBMRSDXLIXBRY-UHFFFAOYSA-N 2 2 328.441 3.408 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183564 458847684 /nfs/dbraw/zinc/84/76/84/458847684.db2.gz HXUOYPCEIZYGMC-LMNJBCLMSA-N 2 2 339.527 3.256 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183564 458847689 /nfs/dbraw/zinc/84/76/89/458847689.db2.gz HXUOYPCEIZYGMC-LMNJBCLMSA-N 2 2 339.527 3.256 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467356213 458970008 /nfs/dbraw/zinc/97/00/08/458970008.db2.gz UHYYZMUOONVXDO-NCYKPQTJSA-N 2 2 330.516 3.344 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000556858284 459023366 /nfs/dbraw/zinc/02/33/66/459023366.db2.gz JTHPJSKRKPXWMB-JKSUJKDBSA-N 2 2 334.504 3.407 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000556858284 459023370 /nfs/dbraw/zinc/02/33/70/459023370.db2.gz JTHPJSKRKPXWMB-JKSUJKDBSA-N 2 2 334.504 3.407 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226845 459049650 /nfs/dbraw/zinc/04/96/50/459049650.db2.gz XGTMCIWFOSBULX-MNEFBYGVSA-N 2 2 335.923 3.234 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226845 459049653 /nfs/dbraw/zinc/04/96/53/459049653.db2.gz XGTMCIWFOSBULX-MNEFBYGVSA-N 2 2 335.923 3.234 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503718 459102247 /nfs/dbraw/zinc/10/22/47/459102247.db2.gz CFNPGGYCXFCPMV-ABAIWWIYSA-N 2 2 329.257 3.061 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503718 459102254 /nfs/dbraw/zinc/10/22/54/459102254.db2.gz CFNPGGYCXFCPMV-ABAIWWIYSA-N 2 2 329.257 3.061 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)n1C ZINC000594952725 459191002 /nfs/dbraw/zinc/19/10/02/459191002.db2.gz YWHRYUMTNKPXOX-VBNZEHGJSA-N 2 2 335.492 3.211 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC000522735778 459260030 /nfs/dbraw/zinc/26/00/30/459260030.db2.gz PAOXNMPCDYENGG-KRWDZBQOSA-N 2 2 348.487 3.319 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC000522735778 459260035 /nfs/dbraw/zinc/26/00/35/459260035.db2.gz PAOXNMPCDYENGG-KRWDZBQOSA-N 2 2 348.487 3.319 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591081364 459308513 /nfs/dbraw/zinc/30/85/13/459308513.db2.gz AENVWUUKLKBIIY-DLBZAZTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591081364 459308514 /nfs/dbraw/zinc/30/85/14/459308514.db2.gz AENVWUUKLKBIIY-DLBZAZTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591082072 459309551 /nfs/dbraw/zinc/30/95/51/459309551.db2.gz CAAHBWKHGPXVJJ-IEBWSBKVSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591082072 459309556 /nfs/dbraw/zinc/30/95/56/459309556.db2.gz CAAHBWKHGPXVJJ-IEBWSBKVSA-N 2 2 340.471 3.014 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)o1 ZINC000524155874 459347862 /nfs/dbraw/zinc/34/78/62/459347862.db2.gz BNPICACMSMDCSP-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)o1 ZINC000524155874 459347867 /nfs/dbraw/zinc/34/78/67/459347867.db2.gz BNPICACMSMDCSP-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)c(C)c2c1 ZINC000484126117 459407203 /nfs/dbraw/zinc/40/72/03/459407203.db2.gz FBWPVKRAZACAJO-GOEBONIOSA-N 2 2 346.471 3.369 10 0 EGAELP OCC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582904122 459449992 /nfs/dbraw/zinc/44/99/92/459449992.db2.gz BSTOPWMXUSYQPL-RTBURBONSA-N 2 2 340.467 3.490 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)C2 ZINC000569892795 459526177 /nfs/dbraw/zinc/52/61/77/459526177.db2.gz UTMCIOVHJDMFEZ-YOEHRIQHSA-N 2 2 333.439 3.120 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000569892795 459526180 /nfs/dbraw/zinc/52/61/80/459526180.db2.gz UTMCIOVHJDMFEZ-YOEHRIQHSA-N 2 2 333.439 3.120 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000583363877 459526696 /nfs/dbraw/zinc/52/66/96/459526696.db2.gz FFCGDSPPSWBKNZ-HBGVWJBISA-N 2 2 342.458 3.154 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000583363877 459526701 /nfs/dbraw/zinc/52/67/01/459526701.db2.gz FFCGDSPPSWBKNZ-HBGVWJBISA-N 2 2 342.458 3.154 10 0 EGAELP COc1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)O[C@H](C)C2 ZINC000526999750 459573888 /nfs/dbraw/zinc/57/38/88/459573888.db2.gz ZTHUWISRUWPDRZ-RWBZWWBESA-N 2 2 330.472 3.125 10 0 EGAELP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527751056 459725733 /nfs/dbraw/zinc/72/57/33/459725733.db2.gz FKJYUQMRGUYGBT-NRFANRHFSA-N 2 2 346.515 3.346 10 0 EGAELP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527751056 459725735 /nfs/dbraw/zinc/72/57/35/459725735.db2.gz FKJYUQMRGUYGBT-NRFANRHFSA-N 2 2 346.515 3.346 10 0 EGAELP COC(=O)C1CC[NH+](CCCNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000584466276 459745607 /nfs/dbraw/zinc/74/56/07/459745607.db2.gz ILEGIKVXVJFRBC-UHFFFAOYSA-N 2 2 345.418 3.061 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Br)[C@@H]1c1ccccc1 ZINC000501968372 459753400 /nfs/dbraw/zinc/75/34/00/459753400.db2.gz BNJKQPXGYJJGIT-HOTGVXAUSA-N 2 2 332.245 3.123 10 0 EGAELP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597242223 459892251 /nfs/dbraw/zinc/89/22/51/459892251.db2.gz VLZPIQQIQRBRTP-RDJZCZTQSA-N 2 2 333.457 3.145 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690839 459970082 /nfs/dbraw/zinc/97/00/82/459970082.db2.gz JINGKJVIDJHZIA-QUCCMNQESA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690839 459970084 /nfs/dbraw/zinc/97/00/84/459970084.db2.gz JINGKJVIDJHZIA-QUCCMNQESA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690839 459970088 /nfs/dbraw/zinc/97/00/88/459970088.db2.gz JINGKJVIDJHZIA-QUCCMNQESA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690839 459970092 /nfs/dbraw/zinc/97/00/92/459970092.db2.gz JINGKJVIDJHZIA-QUCCMNQESA-N 2 2 326.484 3.481 10 0 EGAELP c1cn2c(cccc2C[NH+]2CCN(c3nccc4sccc43)CC2)[nH+]1 ZINC000575907595 460031733 /nfs/dbraw/zinc/03/17/33/460031733.db2.gz NHUVLTDYNQOEPS-UHFFFAOYSA-N 2 2 349.463 3.266 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728479 460033236 /nfs/dbraw/zinc/03/32/36/460033236.db2.gz QNKUMVZPCHHXRU-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728479 460033241 /nfs/dbraw/zinc/03/32/41/460033241.db2.gz QNKUMVZPCHHXRU-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728479 460033246 /nfs/dbraw/zinc/03/32/46/460033246.db2.gz QNKUMVZPCHHXRU-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728479 460033249 /nfs/dbraw/zinc/03/32/49/460033249.db2.gz QNKUMVZPCHHXRU-TZIWHRDSSA-N 2 2 338.499 3.042 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000598997602 460122122 /nfs/dbraw/zinc/12/21/22/460122122.db2.gz FWSKAHVEFJRHLS-JENIJYKNSA-N 2 2 336.520 3.495 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000598997602 460122132 /nfs/dbraw/zinc/12/21/32/460122132.db2.gz FWSKAHVEFJRHLS-JENIJYKNSA-N 2 2 336.520 3.495 10 0 EGAELP Cc1cccn2c(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c[nH+]c12 ZINC000619012757 460248343 /nfs/dbraw/zinc/24/83/43/460248343.db2.gz GKXGILLIBFCXRB-UHFFFAOYSA-N 2 2 348.450 3.493 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000626089601 460367312 /nfs/dbraw/zinc/36/73/12/460367312.db2.gz XJKQXKVXELVLEC-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000628351608 460377760 /nfs/dbraw/zinc/37/77/60/460377760.db2.gz JRQQUOAWHHDGAJ-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000628351608 460377767 /nfs/dbraw/zinc/37/77/67/460377767.db2.gz JRQQUOAWHHDGAJ-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000628476120 460430979 /nfs/dbraw/zinc/43/09/79/460430979.db2.gz FJDYYNCTDGFHCK-UHFFFAOYSA-N 2 2 349.544 3.487 10 0 EGAELP [NH3+]C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000634690888 460480971 /nfs/dbraw/zinc/48/09/71/460480971.db2.gz WFXPIHGKZMPCEW-SFHVURJKSA-N 2 2 332.451 3.384 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000631659213 460493991 /nfs/dbraw/zinc/49/39/91/460493991.db2.gz KKGXIZMINNBOMK-ZUCKAHLUSA-N 2 2 326.843 3.117 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000631659213 460493993 /nfs/dbraw/zinc/49/39/93/460493993.db2.gz KKGXIZMINNBOMK-ZUCKAHLUSA-N 2 2 326.843 3.117 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+]CC3([C@@H]4CCCCO4)CCC3)CC2)ccn1 ZINC000631731152 460536537 /nfs/dbraw/zinc/53/65/37/460536537.db2.gz ILZMPZKKAAOMBP-FQEVSTJZSA-N 2 2 343.515 3.375 10 0 EGAELP CN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959598 460784954 /nfs/dbraw/zinc/78/49/54/460784954.db2.gz LLFNITSBECHYSE-GUDVDZBRSA-N 2 2 349.563 3.218 10 0 EGAELP CN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959598 460784958 /nfs/dbraw/zinc/78/49/58/460784958.db2.gz LLFNITSBECHYSE-GUDVDZBRSA-N 2 2 349.563 3.218 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629523591 460794875 /nfs/dbraw/zinc/79/48/75/460794875.db2.gz HZNABESIGIZULL-TUKIKUTGSA-N 2 2 343.393 3.153 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000629525798 460796393 /nfs/dbraw/zinc/79/63/93/460796393.db2.gz CBHBOCARKAPJAW-SOUVJXGZSA-N 2 2 327.241 3.306 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535069 460798708 /nfs/dbraw/zinc/79/87/08/460798708.db2.gz BNZVAHJUTNMLBM-BVJIBDCISA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535069 460798712 /nfs/dbraw/zinc/79/87/12/460798712.db2.gz BNZVAHJUTNMLBM-BVJIBDCISA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C[NH2+]1 ZINC000629541748 460800861 /nfs/dbraw/zinc/80/08/61/460800861.db2.gz VCPSVTZQRIHNFF-GPCCPHFNSA-N 2 2 327.241 3.306 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991963 460813051 /nfs/dbraw/zinc/81/30/51/460813051.db2.gz XFLQPQMHIVSXQL-GXTWGEPZSA-N 2 2 348.384 3.342 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991963 460813059 /nfs/dbraw/zinc/81/30/59/460813059.db2.gz XFLQPQMHIVSXQL-GXTWGEPZSA-N 2 2 348.384 3.342 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCc3scnc32)[C@H](c2ccccc2)C1 ZINC000624006107 460818199 /nfs/dbraw/zinc/81/81/99/460818199.db2.gz MAFDBUYPIJORFR-IXDOHACOSA-N 2 2 327.497 3.456 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCc3scnc32)[C@H](c2ccccc2)C1 ZINC000624006107 460818205 /nfs/dbraw/zinc/81/82/05/460818205.db2.gz MAFDBUYPIJORFR-IXDOHACOSA-N 2 2 327.497 3.456 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000629601703 460824410 /nfs/dbraw/zinc/82/44/10/460824410.db2.gz MBTYDQOXCUPIDQ-QGZVFWFLSA-N 2 2 335.879 3.275 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000629601703 460824414 /nfs/dbraw/zinc/82/44/14/460824414.db2.gz MBTYDQOXCUPIDQ-QGZVFWFLSA-N 2 2 335.879 3.275 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000629654236 460848825 /nfs/dbraw/zinc/84/88/25/460848825.db2.gz OGIBTEZUYRBFSD-VQTJNVASSA-N 2 2 347.466 3.164 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C(F)(F)F ZINC000629657487 460852340 /nfs/dbraw/zinc/85/23/40/460852340.db2.gz YKCOCNLJCYPQQY-JKSUJKDBSA-N 2 2 342.405 3.435 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C(F)(F)F ZINC000629657487 460852346 /nfs/dbraw/zinc/85/23/46/460852346.db2.gz YKCOCNLJCYPQQY-JKSUJKDBSA-N 2 2 342.405 3.435 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[C@@H]1C[NH+]1CCCCC1)nc1ccccc12 ZINC000624117026 460866965 /nfs/dbraw/zinc/86/69/65/460866965.db2.gz DZXIBQVSIVRQGK-MRXNPFEDSA-N 2 2 335.455 3.337 10 0 EGAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189254 460901767 /nfs/dbraw/zinc/90/17/67/460901767.db2.gz BCNCKGSKLRRCOQ-QAPCUYQASA-N 2 2 345.487 3.019 10 0 EGAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189254 460901769 /nfs/dbraw/zinc/90/17/69/460901769.db2.gz BCNCKGSKLRRCOQ-QAPCUYQASA-N 2 2 345.487 3.019 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225832 460919798 /nfs/dbraw/zinc/91/97/98/460919798.db2.gz COGJERONEBNAND-HACGYAERSA-N 2 2 337.870 3.130 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225832 460919805 /nfs/dbraw/zinc/91/98/05/460919805.db2.gz COGJERONEBNAND-HACGYAERSA-N 2 2 337.870 3.130 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662235289 461133860 /nfs/dbraw/zinc/13/38/60/461133860.db2.gz JTPRKBYJFASQOP-XJKSGUPXSA-N 2 2 339.361 3.414 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662235289 461133870 /nfs/dbraw/zinc/13/38/70/461133870.db2.gz JTPRKBYJFASQOP-XJKSGUPXSA-N 2 2 339.361 3.414 10 0 EGAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257234 461148452 /nfs/dbraw/zinc/14/84/52/461148452.db2.gz BNVXFSXMAJILNW-OALUTQOASA-N 2 2 348.849 3.489 10 0 EGAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257234 461148454 /nfs/dbraw/zinc/14/84/54/461148454.db2.gz BNVXFSXMAJILNW-OALUTQOASA-N 2 2 348.849 3.489 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(Br)cc3Cl)C[C@H]21 ZINC000662267215 461152993 /nfs/dbraw/zinc/15/29/93/461152993.db2.gz SWFDCMXSKISFSO-UFGOTCBOSA-N 2 2 344.684 3.057 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(Br)cc3Cl)C[C@H]21 ZINC000662267215 461153001 /nfs/dbraw/zinc/15/30/01/461153001.db2.gz SWFDCMXSKISFSO-UFGOTCBOSA-N 2 2 344.684 3.057 10 0 EGAELP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319766 461190817 /nfs/dbraw/zinc/19/08/17/461190817.db2.gz LYRLZUHWRFWRDC-AEFFLSMTSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319766 461190826 /nfs/dbraw/zinc/19/08/26/461190826.db2.gz LYRLZUHWRFWRDC-AEFFLSMTSA-N 2 2 343.471 3.445 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCCC2)O1 ZINC000668298821 461235038 /nfs/dbraw/zinc/23/50/38/461235038.db2.gz LISSFVFFRDNPQP-INIZCTEOSA-N 2 2 326.444 3.191 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCCC2)O1 ZINC000668298821 461235046 /nfs/dbraw/zinc/23/50/46/461235046.db2.gz LISSFVFFRDNPQP-INIZCTEOSA-N 2 2 326.444 3.191 10 0 EGAELP c1ccc2c(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)nsc2c1 ZINC000641792924 461374689 /nfs/dbraw/zinc/37/46/89/461374689.db2.gz XVCFDVYXTYXCDH-UHFFFAOYSA-N 2 2 338.480 3.446 10 0 EGAELP c1ccc(OC2CCC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655730625 461399778 /nfs/dbraw/zinc/39/97/78/461399778.db2.gz PTFYYNSETZSVSZ-FQEVSTJZSA-N 2 2 344.499 3.351 10 0 EGAELP CC(C)[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105159 461446927 /nfs/dbraw/zinc/44/69/27/461446927.db2.gz MSOPDZCJBRJOLF-GFCCVEGCSA-N 2 2 327.407 3.392 10 0 EGAELP CC(C)[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105159 461446934 /nfs/dbraw/zinc/44/69/34/461446934.db2.gz MSOPDZCJBRJOLF-GFCCVEGCSA-N 2 2 327.407 3.392 10 0 EGAELP CC[N@H+](C[C@@H](OC)C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973373 461524608 /nfs/dbraw/zinc/52/46/08/461524608.db2.gz PJDZMNLWRJNUEL-LJQANCHMSA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@@H+](C[C@@H](OC)C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973373 461524611 /nfs/dbraw/zinc/52/46/11/461524611.db2.gz PJDZMNLWRJNUEL-LJQANCHMSA-N 2 2 331.504 3.435 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c2)c[nH+]1 ZINC000663345908 461573219 /nfs/dbraw/zinc/57/32/19/461573219.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 3 2 330.501 3.145 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2)c[nH+]1 ZINC000663345908 461573226 /nfs/dbraw/zinc/57/32/26/461573226.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 3 2 330.501 3.145 10 0 EGAELP Clc1c(Br)cccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000631138929 461584611 /nfs/dbraw/zinc/58/46/11/461584611.db2.gz BMXASPIEAOPBEI-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP Clc1c(Br)cccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000631138929 461584620 /nfs/dbraw/zinc/58/46/20/461584620.db2.gz BMXASPIEAOPBEI-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2CCC3(CC3)CC2)([NH+]2CCCCC2)CC1 ZINC000669251565 461616829 /nfs/dbraw/zinc/61/68/29/461616829.db2.gz FQKWBJNKXIZCPB-UHFFFAOYSA-N 2 2 347.547 3.023 10 0 EGAELP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000647305329 461625448 /nfs/dbraw/zinc/62/54/48/461625448.db2.gz FZTNNOKZHNMMIH-QFBILLFUSA-N 2 2 334.529 3.222 10 0 EGAELP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000647305329 461625458 /nfs/dbraw/zinc/62/54/58/461625458.db2.gz FZTNNOKZHNMMIH-QFBILLFUSA-N 2 2 334.529 3.222 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)Cc3ccn(C(C)C)n3)cn21 ZINC000647364419 461658632 /nfs/dbraw/zinc/65/86/32/461658632.db2.gz ZXKVQRXDFSHCHM-OAHLLOKOSA-N 2 2 325.460 3.183 10 0 EGAELP C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631236253 461663984 /nfs/dbraw/zinc/66/39/84/461663984.db2.gz XEFKWQAJPKWAEI-HXUWFJFHSA-N 2 2 339.414 3.095 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253849 461675448 /nfs/dbraw/zinc/67/54/48/461675448.db2.gz YINJTJAJDPHCJT-WMLDXEAASA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253849 461675456 /nfs/dbraw/zinc/67/54/56/461675456.db2.gz YINJTJAJDPHCJT-WMLDXEAASA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253849 461675462 /nfs/dbraw/zinc/67/54/62/461675462.db2.gz YINJTJAJDPHCJT-WMLDXEAASA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253849 461675467 /nfs/dbraw/zinc/67/54/67/461675467.db2.gz YINJTJAJDPHCJT-WMLDXEAASA-N 2 2 330.451 3.234 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663538865 461697309 /nfs/dbraw/zinc/69/73/09/461697309.db2.gz IHYZTERGUOAOJG-HNNXBMFYSA-N 2 2 338.411 3.290 10 0 EGAELP c1cn2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479913 461726262 /nfs/dbraw/zinc/72/62/62/461726262.db2.gz YACWFWCATPXBOR-GJZGRUSLSA-N 2 2 330.501 3.237 10 0 EGAELP c1cn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c(C3CC3)nc2s1 ZINC000647479913 461726268 /nfs/dbraw/zinc/72/62/68/461726268.db2.gz YACWFWCATPXBOR-GJZGRUSLSA-N 2 2 330.501 3.237 10 0 EGAELP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000643525868 461752375 /nfs/dbraw/zinc/75/23/75/461752375.db2.gz GCXBFXOUXNISAK-HTQZYQBOSA-N 2 2 336.071 3.209 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553609 461764027 /nfs/dbraw/zinc/76/40/27/461764027.db2.gz DZOPGOBEJJCRBA-GOSISDBHSA-N 2 2 328.435 3.084 10 0 EGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000660452000 461786856 /nfs/dbraw/zinc/78/68/56/461786856.db2.gz OGRYSKHZPKBHFY-KRWDZBQOSA-N 2 2 335.398 3.406 10 0 EGAELP CC[C@H](C)[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663978601 461897851 /nfs/dbraw/zinc/89/78/51/461897851.db2.gz CMQPRIPLGJTTCM-AWEZNQCLSA-N 2 2 329.444 3.173 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCO1 ZINC000653874147 461911093 /nfs/dbraw/zinc/91/10/93/461911093.db2.gz BVVFJQMYNKBUJZ-HKBOAZHASA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCO1 ZINC000653874147 461911097 /nfs/dbraw/zinc/91/10/97/461911097.db2.gz BVVFJQMYNKBUJZ-HKBOAZHASA-N 2 2 346.515 3.215 10 0 EGAELP OC[C@@H](C1CCC1)[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000648054016 461959748 /nfs/dbraw/zinc/95/97/48/461959748.db2.gz MONPXUYLYCYLCY-FQEVSTJZSA-N 2 2 335.451 3.498 10 0 EGAELP OC[C@@H](C1CCC1)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000648054016 461959750 /nfs/dbraw/zinc/95/97/50/461959750.db2.gz MONPXUYLYCYLCY-FQEVSTJZSA-N 2 2 335.451 3.498 10 0 EGAELP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657326100 462048381 /nfs/dbraw/zinc/04/83/81/462048381.db2.gz TTZNCJVMJHCSFI-CALCHBBNSA-N 2 2 341.503 3.113 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000657369631 462077981 /nfs/dbraw/zinc/07/79/81/462077981.db2.gz ANNIKACVDXLYIT-OAHLLOKOSA-N 2 2 345.512 3.176 10 0 EGAELP Cc1[nH+]cc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1C ZINC000667501976 462116240 /nfs/dbraw/zinc/11/62/40/462116240.db2.gz QBUVXIIMPVBOKM-AWEZNQCLSA-N 2 2 332.879 3.261 10 0 EGAELP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000657463585 462139346 /nfs/dbraw/zinc/13/93/46/462139346.db2.gz OSXFTSOCBBIBJY-VEHMJYNQSA-N 2 2 335.536 3.019 10 0 EGAELP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000657463585 462139350 /nfs/dbraw/zinc/13/93/50/462139350.db2.gz OSXFTSOCBBIBJY-VEHMJYNQSA-N 2 2 335.536 3.019 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000657525548 462166650 /nfs/dbraw/zinc/16/66/50/462166650.db2.gz SLVVOGIZGNQGGX-MRXNPFEDSA-N 2 2 326.444 3.231 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000657525548 462166653 /nfs/dbraw/zinc/16/66/53/462166653.db2.gz SLVVOGIZGNQGGX-MRXNPFEDSA-N 2 2 326.444 3.231 10 0 EGAELP CC1(C)C[C@H]([NH2+]CC(O)(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657697454 462234515 /nfs/dbraw/zinc/23/45/15/462234515.db2.gz DAUGNDLLLNLYOS-IBGZPJMESA-N 2 2 328.500 3.180 10 0 EGAELP CC1(C)C[C@H]([NH2+]CC(O)(C2CC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000657697454 462234520 /nfs/dbraw/zinc/23/45/20/462234520.db2.gz DAUGNDLLLNLYOS-IBGZPJMESA-N 2 2 328.500 3.180 10 0 EGAELP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657750964 462252375 /nfs/dbraw/zinc/25/23/75/462252375.db2.gz FNWNVJRAGGLYTL-LBPRGKRZSA-N 2 2 334.407 3.110 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(OC)c1 ZINC000667769789 462253769 /nfs/dbraw/zinc/25/37/69/462253769.db2.gz GSCXIKXVTKAEFY-SXLOBPIMSA-N 2 2 332.488 3.235 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)[C@H]21 ZINC000657788072 462266095 /nfs/dbraw/zinc/26/60/95/462266095.db2.gz HFBJJFRTESZUMN-PWRODBHTSA-N 2 2 337.442 3.113 10 0 EGAELP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657814235 462281387 /nfs/dbraw/zinc/28/13/87/462281387.db2.gz BBXFPMDAYDWYNC-GCJKJVERSA-N 2 2 338.495 3.405 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000651712584 462312412 /nfs/dbraw/zinc/31/24/12/462312412.db2.gz LBILMCSYQFAZEK-NZSAHSFTSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000651712584 462312416 /nfs/dbraw/zinc/31/24/16/462312416.db2.gz LBILMCSYQFAZEK-NZSAHSFTSA-N 2 2 333.520 3.333 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1OC ZINC000658063613 462363081 /nfs/dbraw/zinc/36/30/81/462363081.db2.gz WDFMTCHJFBAJEV-RHSMWYFYSA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1OC ZINC000658063613 462363088 /nfs/dbraw/zinc/36/30/88/462363088.db2.gz WDFMTCHJFBAJEV-RHSMWYFYSA-N 2 2 334.504 3.406 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061565 462363536 /nfs/dbraw/zinc/36/35/36/462363536.db2.gz OZMLBLANVDUNED-RISCZKNCSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061565 462363545 /nfs/dbraw/zinc/36/35/45/462363545.db2.gz OZMLBLANVDUNED-RISCZKNCSA-N 2 2 326.282 3.368 10 0 EGAELP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)n1 ZINC000665253859 462370565 /nfs/dbraw/zinc/37/05/65/462370565.db2.gz BENMBYIFOOGJCR-CWFSZBLJSA-N 2 2 344.478 3.269 10 0 EGAELP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1ccncc1 ZINC000665259676 462374803 /nfs/dbraw/zinc/37/48/03/462374803.db2.gz MRKHDXUPASCURN-NZSAHSFTSA-N 2 2 343.446 3.416 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000651928335 462381644 /nfs/dbraw/zinc/38/16/44/462381644.db2.gz DAAZWMKXCHCPNL-TYCQWZJGSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000651928335 462381651 /nfs/dbraw/zinc/38/16/51/462381651.db2.gz DAAZWMKXCHCPNL-TYCQWZJGSA-N 2 2 328.500 3.444 10 0 EGAELP FC(F)(F)Oc1cccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665279636 462383354 /nfs/dbraw/zinc/38/33/54/462383354.db2.gz IAFQWMRMSDVUCM-YWCUFVOSSA-N 2 2 326.362 3.378 10 0 EGAELP CCc1ccc([C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000668053954 462392588 /nfs/dbraw/zinc/39/25/88/462392588.db2.gz INDMAFBBJOPIPH-NRFANRHFSA-N 2 2 348.450 3.403 10 0 EGAELP CCc1ccc([C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000668053954 462392596 /nfs/dbraw/zinc/39/25/96/462392596.db2.gz INDMAFBBJOPIPH-NRFANRHFSA-N 2 2 348.450 3.403 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652225923 462478870 /nfs/dbraw/zinc/47/88/70/462478870.db2.gz IBFRUJZKOGUVSZ-VGOFRKELSA-N 2 2 347.462 3.399 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344995 462484491 /nfs/dbraw/zinc/48/44/91/462484491.db2.gz XVIPUSGWZQZMLZ-LPHOPBHVSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344995 462484499 /nfs/dbraw/zinc/48/44/99/462484499.db2.gz XVIPUSGWZQZMLZ-LPHOPBHVSA-N 2 2 329.513 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662028689 462506310 /nfs/dbraw/zinc/50/63/10/462506310.db2.gz ANWIIQBRYRWLMC-MSOLQXFVSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662028689 462506314 /nfs/dbraw/zinc/50/63/14/462506314.db2.gz ANWIIQBRYRWLMC-MSOLQXFVSA-N 2 2 327.472 3.483 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000131449988 534830625 /nfs/dbraw/zinc/83/06/25/534830625.db2.gz JZQNDXWLDRHWNM-ALOPSCKCSA-N 2 2 344.890 3.359 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000131449988 534830634 /nfs/dbraw/zinc/83/06/34/534830634.db2.gz JZQNDXWLDRHWNM-ALOPSCKCSA-N 2 2 344.890 3.359 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567608 535258417 /nfs/dbraw/zinc/25/84/17/535258417.db2.gz XRNBPBNCEAYIOW-FUHIMQAGSA-N 3 2 333.520 3.006 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567608 535258426 /nfs/dbraw/zinc/25/84/26/535258426.db2.gz XRNBPBNCEAYIOW-FUHIMQAGSA-N 3 2 333.520 3.006 10 0 EGAELP CCC[NH+]1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356852070 535353593 /nfs/dbraw/zinc/35/35/93/535353593.db2.gz RFJOVQRREIPIMM-UHFFFAOYSA-N 3 2 335.458 3.115 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693677 546707946 /nfs/dbraw/zinc/70/79/46/546707946.db2.gz UIZGWMDSBNLVLG-RXVVDRJESA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693677 546707950 /nfs/dbraw/zinc/70/79/50/546707950.db2.gz UIZGWMDSBNLVLG-RXVVDRJESA-N 3 2 329.532 3.361 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289000 547805679 /nfs/dbraw/zinc/80/56/79/547805679.db2.gz ULLXKKVLLKVCKU-HZPDHXFCSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289000 547805682 /nfs/dbraw/zinc/80/56/82/547805682.db2.gz ULLXKKVLLKVCKU-HZPDHXFCSA-N 2 2 346.519 3.092 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)c1 ZINC000414120885 547853521 /nfs/dbraw/zinc/85/35/21/547853521.db2.gz FFBZNLMWCKUSSN-INIZCTEOSA-N 2 2 334.261 3.392 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000414739478 547859845 /nfs/dbraw/zinc/85/98/45/547859845.db2.gz FWRRNSXBHREMPS-SJLPKXTDSA-N 2 2 332.492 3.036 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000414739478 547859850 /nfs/dbraw/zinc/85/98/50/547859850.db2.gz FWRRNSXBHREMPS-SJLPKXTDSA-N 2 2 332.492 3.036 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000673857350 548641356 /nfs/dbraw/zinc/64/13/56/548641356.db2.gz QZLBVYPHJQCDOS-IBGZPJMESA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000673857350 548641358 /nfs/dbraw/zinc/64/13/58/548641358.db2.gz QZLBVYPHJQCDOS-IBGZPJMESA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1cc2ccccc2o1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673857350 548641361 /nfs/dbraw/zinc/64/13/61/548641361.db2.gz QZLBVYPHJQCDOS-IBGZPJMESA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1cc2ccccc2o1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673857350 548641365 /nfs/dbraw/zinc/64/13/65/548641365.db2.gz QZLBVYPHJQCDOS-IBGZPJMESA-N 2 2 338.451 3.358 10 0 EGAELP CC(=O)c1nc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH]c1C ZINC000677477858 549278012 /nfs/dbraw/zinc/27/80/12/549278012.db2.gz BNRLPYBSGPHAEP-SFHVURJKSA-N 2 2 346.519 3.051 10 0 EGAELP CC(=O)c1nc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH]c1C ZINC000677477858 549278016 /nfs/dbraw/zinc/27/80/16/549278016.db2.gz BNRLPYBSGPHAEP-SFHVURJKSA-N 2 2 346.519 3.051 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000679997931 549804114 /nfs/dbraw/zinc/80/41/14/549804114.db2.gz NHKQINGUCDCVKX-LJQANCHMSA-N 3 2 326.488 3.166 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997931 549804117 /nfs/dbraw/zinc/80/41/17/549804117.db2.gz NHKQINGUCDCVKX-LJQANCHMSA-N 2 2 326.488 3.166 10 0 EGAELP CN(C(=O)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000680327157 549848774 /nfs/dbraw/zinc/84/87/74/549848774.db2.gz MPYFTGGAZJTEFL-UHFFFAOYSA-N 2 2 346.500 3.157 10 0 EGAELP CN(C(=O)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000680327157 549848777 /nfs/dbraw/zinc/84/87/77/549848777.db2.gz MPYFTGGAZJTEFL-UHFFFAOYSA-N 2 2 346.500 3.157 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726071502 574539891 /nfs/dbraw/zinc/53/98/91/574539891.db2.gz HCGOVPKGMBIWNZ-KRWDZBQOSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726071502 574539893 /nfs/dbraw/zinc/53/98/93/574539893.db2.gz HCGOVPKGMBIWNZ-KRWDZBQOSA-N 2 2 325.541 3.266 10 0 EGAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740809 576179545 /nfs/dbraw/zinc/17/95/45/576179545.db2.gz ATHXGSYXHOMIDY-FXAWDEMLSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740809 576179546 /nfs/dbraw/zinc/17/95/46/576179546.db2.gz ATHXGSYXHOMIDY-FXAWDEMLSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000741791664 576722001 /nfs/dbraw/zinc/72/20/01/576722001.db2.gz WVWLKPDJWZCLTD-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000741791664 576722002 /nfs/dbraw/zinc/72/20/02/576722002.db2.gz WVWLKPDJWZCLTD-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791664 576722003 /nfs/dbraw/zinc/72/20/03/576722003.db2.gz WVWLKPDJWZCLTD-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791664 576722004 /nfs/dbraw/zinc/72/20/04/576722004.db2.gz WVWLKPDJWZCLTD-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000744403912 576827423 /nfs/dbraw/zinc/82/74/23/576827423.db2.gz AJANAEPIDLTJSW-BZSNNMDCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000744403912 576827424 /nfs/dbraw/zinc/82/74/24/576827424.db2.gz AJANAEPIDLTJSW-BZSNNMDCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000744403912 576827425 /nfs/dbraw/zinc/82/74/25/576827425.db2.gz AJANAEPIDLTJSW-BZSNNMDCSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000744403912 576827426 /nfs/dbraw/zinc/82/74/26/576827426.db2.gz AJANAEPIDLTJSW-BZSNNMDCSA-N 2 2 325.541 3.266 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000169788031 1294372758 /nfs/dbraw/zinc/37/27/58/1294372758.db2.gz IEMLHMAPPALTAV-MRXNPFEDSA-N 2 2 349.425 3.496 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000169788031 1294372764 /nfs/dbraw/zinc/37/27/64/1294372764.db2.gz IEMLHMAPPALTAV-MRXNPFEDSA-N 2 2 349.425 3.496 10 0 EGAELP c1ccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2COc2cc[nH+]cc2)nc1 ZINC000253410145 1296466590 /nfs/dbraw/zinc/46/65/90/1296466590.db2.gz MWSXYMZQIFGDKP-AZUAARDMSA-N 2 2 346.434 3.166 10 0 EGAELP c1ccc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2COc2cc[nH+]cc2)nc1 ZINC000253410145 1296466595 /nfs/dbraw/zinc/46/65/95/1296466595.db2.gz MWSXYMZQIFGDKP-AZUAARDMSA-N 2 2 346.434 3.166 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cc1 ZINC000872149578 1296769203 /nfs/dbraw/zinc/76/92/03/1296769203.db2.gz OSFQUSKRLPKAPG-UKRRQHHQSA-N 2 2 339.361 3.219 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cc1 ZINC000872149578 1296769211 /nfs/dbraw/zinc/76/92/11/1296769211.db2.gz OSFQUSKRLPKAPG-UKRRQHHQSA-N 2 2 339.361 3.219 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(F)cc2F)C[C@H]1C(F)(F)F ZINC000872149166 1296769514 /nfs/dbraw/zinc/76/95/14/1296769514.db2.gz MMSRZWSWDNLLCL-GXSJLCMTSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)C[C@H]1C(F)(F)F ZINC000872149166 1296769527 /nfs/dbraw/zinc/76/95/27/1296769527.db2.gz MMSRZWSWDNLLCL-GXSJLCMTSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872151966 1296770361 /nfs/dbraw/zinc/77/03/61/1296770361.db2.gz ODEJQXNNFFAVQH-JSGCOSHPSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872151966 1296770377 /nfs/dbraw/zinc/77/03/77/1296770377.db2.gz ODEJQXNNFFAVQH-JSGCOSHPSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000872150118 1296770978 /nfs/dbraw/zinc/77/09/78/1296770978.db2.gz DLXUHLUOXGBFBA-OCCSQVGLSA-N 2 2 341.402 3.379 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000872150118 1296770986 /nfs/dbraw/zinc/77/09/86/1296770986.db2.gz DLXUHLUOXGBFBA-OCCSQVGLSA-N 2 2 341.402 3.379 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399088070 1297723528 /nfs/dbraw/zinc/72/35/28/1297723528.db2.gz RYVMVTBHRFXWNP-IAGOWNOFSA-N 2 2 339.524 3.096 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000877666068 1299465898 /nfs/dbraw/zinc/46/58/98/1299465898.db2.gz UQPKOZXIKACJJQ-CRAIPNDOSA-N 2 2 343.446 3.087 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000877666068 1299465903 /nfs/dbraw/zinc/46/59/03/1299465903.db2.gz UQPKOZXIKACJJQ-CRAIPNDOSA-N 2 2 343.446 3.087 10 0 EGAELP c1cn2c(cccc2CNc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)[nH+]1 ZINC000883346273 1302404127 /nfs/dbraw/zinc/40/41/27/1302404127.db2.gz WEUZJASSPGBNCG-HXUWFJFHSA-N 2 2 347.466 3.231 10 0 EGAELP c1cn2c(cccc2CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)[nH+]1 ZINC000883346273 1302404129 /nfs/dbraw/zinc/40/41/29/1302404129.db2.gz WEUZJASSPGBNCG-HXUWFJFHSA-N 2 2 347.466 3.231 10 0 EGAELP Cc1noc2ncc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)cc12 ZINC000894308890 1306335152 /nfs/dbraw/zinc/33/51/52/1306335152.db2.gz WFURPNRXDBBIHD-GOSISDBHSA-N 2 2 347.422 3.338 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000894312976 1306337605 /nfs/dbraw/zinc/33/76/05/1306337605.db2.gz PGEHBDPNIMQWDJ-RISCZKNCSA-N 2 2 344.377 3.064 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000894312976 1306337608 /nfs/dbraw/zinc/33/76/08/1306337608.db2.gz PGEHBDPNIMQWDJ-RISCZKNCSA-N 2 2 344.377 3.064 10 0 EGAELP c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n(C2CCC2)n1 ZINC000894471002 1308907182 /nfs/dbraw/zinc/90/71/82/1308907182.db2.gz GBZCVEWIYDFLLV-UHFFFAOYSA-N 2 2 327.476 3.497 10 0 EGAELP Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000894479418 1308913025 /nfs/dbraw/zinc/91/30/25/1308913025.db2.gz PHZYPUPTKGFUIU-UHFFFAOYSA-N 2 2 344.503 3.355 10 0 EGAELP COC(=O)C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000895113188 1309196498 /nfs/dbraw/zinc/19/64/98/1309196498.db2.gz UWSSVQYGINKFQB-ATIWLJMLSA-N 2 2 345.487 3.136 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC000895465284 1309351100 /nfs/dbraw/zinc/35/11/00/1309351100.db2.gz ALNMTCRDNPNZIE-GOSISDBHSA-N 2 2 342.487 3.126 10 0 EGAELP Cc1ncoc1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739431 1309498341 /nfs/dbraw/zinc/49/83/41/1309498341.db2.gz ARYPRPRKGSMKAA-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1ncoc1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739431 1309498344 /nfs/dbraw/zinc/49/83/44/1309498344.db2.gz ARYPRPRKGSMKAA-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1ncoc1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739431 1309498347 /nfs/dbraw/zinc/49/83/47/1309498347.db2.gz ARYPRPRKGSMKAA-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c[nH+]1 ZINC000896353284 1309817844 /nfs/dbraw/zinc/81/78/44/1309817844.db2.gz XBRIBJPQADPYOO-ZWKOTPCHSA-N 2 2 346.519 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c[nH+]1 ZINC000896353284 1309817854 /nfs/dbraw/zinc/81/78/54/1309817854.db2.gz XBRIBJPQADPYOO-ZWKOTPCHSA-N 2 2 346.519 3.040 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000929667916 1328663682 /nfs/dbraw/zinc/66/36/82/1328663682.db2.gz DWBVSJUKVCNHTK-HNNXBMFYSA-N 2 2 327.350 3.043 10 0 EGAELP c1cn(CCC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c[nH+]1 ZINC000858028650 1328664981 /nfs/dbraw/zinc/66/49/81/1328664981.db2.gz MOLZZGZXJABCNI-GOSISDBHSA-N 2 2 326.444 3.089 10 0 EGAELP c1cn(CCC[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c[nH+]1 ZINC000858028650 1328664986 /nfs/dbraw/zinc/66/49/86/1328664986.db2.gz MOLZZGZXJABCNI-GOSISDBHSA-N 2 2 326.444 3.089 10 0 EGAELP CC[N@H+](CCC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1)CC1CC1 ZINC000859224595 1328950596 /nfs/dbraw/zinc/95/05/96/1328950596.db2.gz CHOQMEANBHBJQX-UHFFFAOYSA-N 2 2 338.927 3.408 10 0 EGAELP CC[N@@H+](CCC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1)CC1CC1 ZINC000859224595 1328950601 /nfs/dbraw/zinc/95/06/01/1328950601.db2.gz CHOQMEANBHBJQX-UHFFFAOYSA-N 2 2 338.927 3.408 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000923426855 1322749992 /nfs/dbraw/zinc/74/99/92/1322749992.db2.gz HFQFDCYBSQVBQQ-GJZGRUSLSA-N 2 2 329.271 3.291 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000925076945 1323267918 /nfs/dbraw/zinc/26/79/18/1323267918.db2.gz BDULLMXMZWFEID-SQNIBIBYSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000925076945 1323267925 /nfs/dbraw/zinc/26/79/25/1323267925.db2.gz BDULLMXMZWFEID-SQNIBIBYSA-N 2 2 348.535 3.007 10 0 EGAELP C[NH+]1C[C@@]2(C)C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000931314327 1329092169 /nfs/dbraw/zinc/09/21/69/1329092169.db2.gz LUSVGQSNBRIWMI-IKGGRYGDSA-N 2 2 342.405 3.012 10 0 EGAELP COC(=O)c1cc2cc(C[NH+]3CCC(C)([NH+](C)C)CC3)ccc2o1 ZINC000931351839 1329099981 /nfs/dbraw/zinc/09/99/81/1329099981.db2.gz UVUVPQNMEWBGKA-UHFFFAOYSA-N 2 2 330.428 3.136 10 0 EGAELP O=C(c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1)N1CCCCC1 ZINC000925581388 1325220033 /nfs/dbraw/zinc/22/00/33/1325220033.db2.gz YQEPIQBADJIBOR-IBGZPJMESA-N 2 2 341.499 3.077 10 0 EGAELP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736034 1325275471 /nfs/dbraw/zinc/27/54/71/1325275471.db2.gz KAFTXLIGFVYKNK-IXDOHACOSA-N 2 2 347.256 3.217 10 0 EGAELP [NH3+][C@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736033 1325276443 /nfs/dbraw/zinc/27/64/43/1325276443.db2.gz KAFTXLIGFVYKNK-GVDBMIGSSA-N 2 2 347.256 3.217 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1nc2ccc(Cl)cc2n1C ZINC000925774850 1325294247 /nfs/dbraw/zinc/29/42/47/1325294247.db2.gz ACRGKQKXJXXRQK-GHMZBOCLSA-N 2 2 342.821 3.122 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000925792870 1325302452 /nfs/dbraw/zinc/30/24/52/1325302452.db2.gz BLZHPUVRPINSGB-HIFRSBDPSA-N 2 2 338.492 3.357 10 0 EGAELP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000925796971 1325305867 /nfs/dbraw/zinc/30/58/67/1325305867.db2.gz NLAOUPGRTFFBMG-IEBWSBKVSA-N 2 2 344.499 3.265 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc[nH]c(=O)c1 ZINC000926330319 1325517689 /nfs/dbraw/zinc/51/76/89/1325517689.db2.gz LLGJZRVFSOUGRE-VCANKDNSSA-N 2 2 343.393 3.243 10 0 EGAELP COC1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CC1 ZINC000926957189 1327796598 /nfs/dbraw/zinc/79/65/98/1327796598.db2.gz HFZJBJHFGBVNAP-UHFFFAOYSA-N 2 2 346.515 3.215 10 0 EGAELP COC1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CC1 ZINC000926957189 1327796603 /nfs/dbraw/zinc/79/66/03/1327796603.db2.gz HFZJBJHFGBVNAP-UHFFFAOYSA-N 2 2 346.515 3.215 10 0 EGAELP Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccnc1F ZINC000862350619 1329476604 /nfs/dbraw/zinc/47/66/04/1329476604.db2.gz CGIDSNGTIDDSFY-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccnc1F ZINC000862350619 1329476605 /nfs/dbraw/zinc/47/66/05/1329476605.db2.gz CGIDSNGTIDDSFY-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccnc1F ZINC000862350619 1329476606 /nfs/dbraw/zinc/47/66/06/1329476606.db2.gz CGIDSNGTIDDSFY-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccnc1F ZINC000862350619 1329476607 /nfs/dbraw/zinc/47/66/07/1329476607.db2.gz CGIDSNGTIDDSFY-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@@H](O)c2ccc(F)cc2C)nc(C(C)C)[nH+]1 ZINC000863574774 1329564079 /nfs/dbraw/zinc/56/40/79/1329564079.db2.gz CMJLXQPSJZMGBN-QGZVFWFLSA-N 2 2 346.450 3.091 10 0 EGAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@]2(C)C1 ZINC000933735234 1329918226 /nfs/dbraw/zinc/91/82/26/1329918226.db2.gz GPHCJFXEQACYLB-KNQAVFIVSA-N 2 2 349.478 3.322 10 0 EGAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@]2(C)C1 ZINC000933735234 1329918228 /nfs/dbraw/zinc/91/82/28/1329918228.db2.gz GPHCJFXEQACYLB-KNQAVFIVSA-N 2 2 349.478 3.322 10 0 EGAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@]2(C)C1 ZINC000933735234 1329918230 /nfs/dbraw/zinc/91/82/30/1329918230.db2.gz GPHCJFXEQACYLB-KNQAVFIVSA-N 2 2 349.478 3.322 10 0 EGAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@]2(C)C1 ZINC000933735234 1329918231 /nfs/dbraw/zinc/91/82/31/1329918231.db2.gz GPHCJFXEQACYLB-KNQAVFIVSA-N 2 2 349.478 3.322 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000866703246 1330142479 /nfs/dbraw/zinc/14/24/79/1330142479.db2.gz HHUYINUQOWDZRX-SFHVURJKSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000866703246 1330142481 /nfs/dbraw/zinc/14/24/81/1330142481.db2.gz HHUYINUQOWDZRX-SFHVURJKSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000866705902 1330143104 /nfs/dbraw/zinc/14/31/04/1330143104.db2.gz JGGSPNJITHIVOW-IBGZPJMESA-N 2 2 330.451 3.208 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000866705902 1330143107 /nfs/dbraw/zinc/14/31/07/1330143107.db2.gz JGGSPNJITHIVOW-IBGZPJMESA-N 2 2 330.451 3.208 10 0 EGAELP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639759 1387415078 /nfs/dbraw/zinc/41/50/78/1387415078.db2.gz ALYPUDUPVDXJSV-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001323639759 1387415083 /nfs/dbraw/zinc/41/50/83/1387415083.db2.gz ALYPUDUPVDXJSV-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([C@H](C)[NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001325416603 1387968547 /nfs/dbraw/zinc/96/85/47/1387968547.db2.gz NGWIQPFWUCEANG-IRXDYDNUSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430300 1387971208 /nfs/dbraw/zinc/97/12/08/1387971208.db2.gz XIDPBKQSTRNSPX-CVEARBPZSA-N 2 2 342.487 3.211 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001325544791 1387999829 /nfs/dbraw/zinc/99/98/29/1387999829.db2.gz VDOPTTYWOVLWIQ-DLBZAZTESA-N 2 2 342.487 3.212 10 0 EGAELP FC(F)(F)[C@H]1CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC001119729544 1371394353 /nfs/dbraw/zinc/39/43/53/1371394353.db2.gz QOWKEMXPUWKQLJ-JKSUJKDBSA-N 2 2 345.409 3.485 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327131899 1388395724 /nfs/dbraw/zinc/39/57/24/1388395724.db2.gz VOWHPWOWGNEVQJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327131899 1388395730 /nfs/dbraw/zinc/39/57/30/1388395730.db2.gz VOWHPWOWGNEVQJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327131899 1388395734 /nfs/dbraw/zinc/39/57/34/1388395734.db2.gz VOWHPWOWGNEVQJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327131899 1388395739 /nfs/dbraw/zinc/39/57/39/1388395739.db2.gz VOWHPWOWGNEVQJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP C[NH+](C)CCc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001136135191 1377357326 /nfs/dbraw/zinc/35/73/26/1377357326.db2.gz VNPPCYXDVIGDFP-UHFFFAOYSA-N 2 2 334.423 3.229 10 0 EGAELP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001327467049 1388526991 /nfs/dbraw/zinc/52/69/91/1388526991.db2.gz HEWIEEVNXHPFKV-UHFFFAOYSA-N 2 2 344.503 3.134 10 0 EGAELP CCN(CC[NH2+]CC1CCCCC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001273374508 1378100689 /nfs/dbraw/zinc/10/06/89/1378100689.db2.gz JBTQJJJQYWQALI-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC001283680140 1379110143 /nfs/dbraw/zinc/11/01/43/1379110143.db2.gz ZHGQAWCRTIHRKI-HUUCEWRRSA-N 2 2 348.878 3.124 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001283869091 1379215788 /nfs/dbraw/zinc/21/57/88/1379215788.db2.gz RGPQWAFCVDWHTB-NVXWUHKLSA-N 2 2 328.460 3.026 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001284589289 1379990493 /nfs/dbraw/zinc/99/04/93/1379990493.db2.gz HMTDVSGSRUJDLN-HOTGVXAUSA-N 2 2 348.466 3.125 10 0 EGAELP CC(C)c1[nH]cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC001157119993 1380781261 /nfs/dbraw/zinc/78/12/61/1380781261.db2.gz QOUKGAHGNMDXCW-UHFFFAOYSA-N 2 2 340.471 3.062 10 0 EGAELP CC(C)c1[nH]c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC001157119993 1380781265 /nfs/dbraw/zinc/78/12/65/1380781265.db2.gz QOUKGAHGNMDXCW-UHFFFAOYSA-N 2 2 340.471 3.062 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)OCCCO4)c2)c[nH+]1 ZINC001308241532 1384111972 /nfs/dbraw/zinc/11/19/72/1384111972.db2.gz YBRHJFKSBYAICK-UHFFFAOYSA-N 2 2 341.436 3.385 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001169781694 1384185883 /nfs/dbraw/zinc/18/58/83/1384185883.db2.gz UFDLDWJIBOSQRN-GOSISDBHSA-N 2 2 346.471 3.354 10 0 EGAELP O=C(NC[C@@H]([NH2+]CCCC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001317018466 1384783510 /nfs/dbraw/zinc/78/35/10/1384783510.db2.gz ITYPCZXNMFZNTE-LJQANCHMSA-N 2 2 340.471 3.241 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317060676 1384833379 /nfs/dbraw/zinc/83/33/79/1384833379.db2.gz HVJUBPUJMWZNEH-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001317173405 1384941911 /nfs/dbraw/zinc/94/19/11/1384941911.db2.gz OAFINCYKBRUNKF-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001317173405 1384941913 /nfs/dbraw/zinc/94/19/13/1384941913.db2.gz OAFINCYKBRUNKF-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001317173405 1384941914 /nfs/dbraw/zinc/94/19/14/1384941914.db2.gz OAFINCYKBRUNKF-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001317173405 1384941916 /nfs/dbraw/zinc/94/19/16/1384941916.db2.gz OAFINCYKBRUNKF-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001317245750 1385019059 /nfs/dbraw/zinc/01/90/59/1385019059.db2.gz DJNOMIHTANMVNR-FUHWJXTLSA-N 2 2 332.492 3.065 10 0 EGAELP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317685790 1385396280 /nfs/dbraw/zinc/39/62/80/1385396280.db2.gz IPSGKKYZWPHZSS-RLPYKWQISA-N 2 2 344.503 3.086 10 0 EGAELP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317685790 1385396283 /nfs/dbraw/zinc/39/62/83/1385396283.db2.gz IPSGKKYZWPHZSS-RLPYKWQISA-N 2 2 344.503 3.086 10 0 EGAELP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001318454391 1385699148 /nfs/dbraw/zinc/69/91/48/1385699148.db2.gz SYZLECKFXKMCSQ-CTWPCTMYSA-N 2 2 346.519 3.022 10 0 EGAELP CC1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001318454391 1385699150 /nfs/dbraw/zinc/69/91/50/1385699150.db2.gz SYZLECKFXKMCSQ-CTWPCTMYSA-N 2 2 346.519 3.022 10 0 EGAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1 ZINC001318581976 1385770264 /nfs/dbraw/zinc/77/02/64/1385770264.db2.gz NAKQPIFCBPYMCL-YOEHRIQHSA-N 2 2 348.878 3.172 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001319692911 1386254508 /nfs/dbraw/zinc/25/45/08/1386254508.db2.gz WMMPVLXCDWYGIN-GDBMZVCRSA-N 2 2 328.460 3.193 10 0 EGAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001319698656 1386258885 /nfs/dbraw/zinc/25/88/85/1386258885.db2.gz TYGUTMOOWGCPEA-SJORKVTESA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001320007614 1386448138 /nfs/dbraw/zinc/44/81/38/1386448138.db2.gz SIYACIDHTDXJAS-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001320007614 1386448142 /nfs/dbraw/zinc/44/81/42/1386448142.db2.gz SIYACIDHTDXJAS-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001320007614 1386448146 /nfs/dbraw/zinc/44/81/46/1386448146.db2.gz SIYACIDHTDXJAS-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001320007614 1386448149 /nfs/dbraw/zinc/44/81/49/1386448149.db2.gz SIYACIDHTDXJAS-UHFFFAOYSA-N 2 2 342.487 3.056 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001320464007 1386616483 /nfs/dbraw/zinc/61/64/83/1386616483.db2.gz LYQBEBCEEJUMKT-INIZCTEOSA-N 2 2 348.535 3.381 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001320489050 1386624730 /nfs/dbraw/zinc/62/47/30/1386624730.db2.gz CVKGFONTRWPEJK-INIZCTEOSA-N 2 2 342.487 3.403 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC(CC[NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001698698844 1406341849 /nfs/dbraw/zinc/34/18/49/1406341849.db2.gz ZDJWHPDXZWCWOE-UHFFFAOYSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CC[C@@H]([NH2+]CC2CCC2)C(C)C)c[nH+]1 ZINC001329743729 1389216168 /nfs/dbraw/zinc/21/61/68/1389216168.db2.gz VRUHDPVNUWXLEV-GOSISDBHSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001330841157 1389541885 /nfs/dbraw/zinc/54/18/85/1389541885.db2.gz GYHAZGZMQHIGSH-OAHLLOKOSA-N 2 2 336.524 3.237 10 0 EGAELP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001331992207 1389937587 /nfs/dbraw/zinc/93/75/87/1389937587.db2.gz RHJMCHYLLBNTBP-MAUKXSAKSA-N 2 2 342.487 3.416 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001332835134 1390196639 /nfs/dbraw/zinc/19/66/39/1390196639.db2.gz ZENWSENXTRMRSB-RBUKOAKNSA-N 2 2 325.456 3.491 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001332835134 1390196640 /nfs/dbraw/zinc/19/66/40/1390196640.db2.gz ZENWSENXTRMRSB-RBUKOAKNSA-N 2 2 325.456 3.491 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001332985353 1390230346 /nfs/dbraw/zinc/23/03/46/1390230346.db2.gz MHIHVWVMSQTQDI-IRXDYDNUSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001332985353 1390230351 /nfs/dbraw/zinc/23/03/51/1390230351.db2.gz MHIHVWVMSQTQDI-IRXDYDNUSA-N 2 2 348.535 3.241 10 0 EGAELP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001333083291 1390246620 /nfs/dbraw/zinc/24/66/20/1390246620.db2.gz XMAHQPHDHTXJFI-HJWRWDBZSA-N 2 2 346.519 3.252 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479457631 1392247648 /nfs/dbraw/zinc/24/76/48/1392247648.db2.gz MANFQJFRASFAFV-IPMKNSEASA-N 2 2 346.519 3.311 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001479737738 1392349047 /nfs/dbraw/zinc/34/90/47/1392349047.db2.gz VLNUCKLOZVRCDG-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001479737738 1392349036 /nfs/dbraw/zinc/34/90/36/1392349036.db2.gz VLNUCKLOZVRCDG-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001479737738 1392349038 /nfs/dbraw/zinc/34/90/38/1392349038.db2.gz VLNUCKLOZVRCDG-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001479737738 1392349043 /nfs/dbraw/zinc/34/90/43/1392349043.db2.gz VLNUCKLOZVRCDG-WMZOPIPTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001479737737 1392349507 /nfs/dbraw/zinc/34/95/07/1392349507.db2.gz VLNUCKLOZVRCDG-AEFFLSMTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001479737737 1392349509 /nfs/dbraw/zinc/34/95/09/1392349509.db2.gz VLNUCKLOZVRCDG-AEFFLSMTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001479737737 1392349512 /nfs/dbraw/zinc/34/95/12/1392349512.db2.gz VLNUCKLOZVRCDG-AEFFLSMTSA-N 2 2 334.508 3.091 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001479737737 1392349517 /nfs/dbraw/zinc/34/95/17/1392349517.db2.gz VLNUCKLOZVRCDG-AEFFLSMTSA-N 2 2 334.508 3.091 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479777018 1392382803 /nfs/dbraw/zinc/38/28/03/1392382803.db2.gz YPFUQFIUGWBLNW-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479777018 1392382807 /nfs/dbraw/zinc/38/28/07/1392382807.db2.gz YPFUQFIUGWBLNW-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479777018 1392382810 /nfs/dbraw/zinc/38/28/10/1392382810.db2.gz YPFUQFIUGWBLNW-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479777018 1392382815 /nfs/dbraw/zinc/38/28/15/1392382815.db2.gz YPFUQFIUGWBLNW-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479832258 1392418764 /nfs/dbraw/zinc/41/87/64/1392418764.db2.gz RCIAFOLZVVLPDR-IEBWSBKVSA-N 2 2 344.503 3.133 10 0 EGAELP CC(C)CCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001479893944 1392463248 /nfs/dbraw/zinc/46/32/48/1392463248.db2.gz BPEBCAXGNMRPIM-UHFFFAOYSA-N 2 2 334.508 3.046 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480264350 1392648950 /nfs/dbraw/zinc/64/89/50/1392648950.db2.gz YOSXPVSRUBZROQ-MSOLQXFVSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480264350 1392648954 /nfs/dbraw/zinc/64/89/54/1392648954.db2.gz YOSXPVSRUBZROQ-MSOLQXFVSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001698871459 1406591205 /nfs/dbraw/zinc/59/12/05/1406591205.db2.gz SZABCZHTALOKDS-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112867 1393123041 /nfs/dbraw/zinc/12/30/41/1393123041.db2.gz NNEWJBCCNZQLKZ-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112867 1393123042 /nfs/dbraw/zinc/12/30/42/1393123042.db2.gz NNEWJBCCNZQLKZ-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481335915 1393166154 /nfs/dbraw/zinc/16/61/54/1393166154.db2.gz SOBMQIMAAVHBRO-WMZOPIPTSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001481336776 1393166445 /nfs/dbraw/zinc/16/64/45/1393166445.db2.gz XEGGDWTXGVHLTB-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001481336776 1393166446 /nfs/dbraw/zinc/16/64/46/1393166446.db2.gz XEGGDWTXGVHLTB-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@H](C)O1 ZINC001490337699 1393176274 /nfs/dbraw/zinc/17/62/74/1393176274.db2.gz KXCWJYMIRVJSPZ-FUHWJXTLSA-N 2 2 347.503 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CC(C)C[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437738 1394293236 /nfs/dbraw/zinc/29/32/36/1394293236.db2.gz HZRPVLZIMUAOBB-RBUKOAKNSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437738 1394293239 /nfs/dbraw/zinc/29/32/39/1394293239.db2.gz HZRPVLZIMUAOBB-RBUKOAKNSA-N 2 2 346.519 3.099 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[N@H+](C)CCC(C)(C)C)C2)c[nH+]1 ZINC001481489549 1394334255 /nfs/dbraw/zinc/33/42/55/1394334255.db2.gz UTOCUYXPSVCACU-KRWDZBQOSA-N 2 2 348.535 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C2)c[nH+]1 ZINC001481489549 1394334258 /nfs/dbraw/zinc/33/42/58/1394334258.db2.gz UTOCUYXPSVCACU-KRWDZBQOSA-N 2 2 348.535 3.143 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]CCCC(C)(C)C)C3)ccn12 ZINC001490889511 1394368872 /nfs/dbraw/zinc/36/88/72/1394368872.db2.gz NEJUCTUOFNMFEN-QAQDUYKDSA-N 2 2 342.487 3.319 10 0 EGAELP CCC/C=C\CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481578691 1394412565 /nfs/dbraw/zinc/41/25/65/1394412565.db2.gz ZRRVQMHCUXJTAR-FBQMEGEOSA-N 2 2 347.547 3.330 10 0 EGAELP CCC/C=C\CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481578691 1394412571 /nfs/dbraw/zinc/41/25/71/1394412571.db2.gz ZRRVQMHCUXJTAR-FBQMEGEOSA-N 2 2 347.547 3.330 10 0 EGAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001481856201 1394561557 /nfs/dbraw/zinc/56/15/57/1394561557.db2.gz WQTQIPZGJPGXKI-SJLPKXTDSA-N 2 2 334.508 3.289 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001482483987 1395037945 /nfs/dbraw/zinc/03/79/45/1395037945.db2.gz QJUBNQCGEFQBQN-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484132452 1395271790 /nfs/dbraw/zinc/27/17/90/1395271790.db2.gz RVGMWAUKTABJKY-MJRGOJFPSA-N 2 2 335.536 3.045 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484132452 1395271793 /nfs/dbraw/zinc/27/17/93/1395271793.db2.gz RVGMWAUKTABJKY-MJRGOJFPSA-N 2 2 335.536 3.045 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001484520615 1395414427 /nfs/dbraw/zinc/41/44/27/1395414427.db2.gz JBOSEDLPCPIOFK-KRWDZBQOSA-N 2 2 340.471 3.051 10 0 EGAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001484546170 1395427791 /nfs/dbraw/zinc/42/77/91/1395427791.db2.gz DPIFVCPQOZRAQI-QGZVFWFLSA-N 2 2 346.519 3.096 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C1CCC([NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001485239197 1395731887 /nfs/dbraw/zinc/73/18/87/1395731887.db2.gz DVVOOVMOJXAWIY-ABHNRTSZSA-N 2 2 334.508 3.238 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485482428 1395966054 /nfs/dbraw/zinc/96/60/54/1395966054.db2.gz LPQSCCVQSIJNHQ-JROGSOPMSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001485482428 1395966064 /nfs/dbraw/zinc/96/60/64/1395966064.db2.gz LPQSCCVQSIJNHQ-JROGSOPMSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485482428 1395966070 /nfs/dbraw/zinc/96/60/70/1395966070.db2.gz LPQSCCVQSIJNHQ-JROGSOPMSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001485482428 1395966074 /nfs/dbraw/zinc/96/60/74/1395966074.db2.gz LPQSCCVQSIJNHQ-JROGSOPMSA-N 2 2 346.519 3.305 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001500431084 1396186983 /nfs/dbraw/zinc/18/69/83/1396186983.db2.gz JECLSYBCMKXILV-INIZCTEOSA-N 2 2 348.535 3.191 10 0 EGAELP CC(C)C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496277412 1396627876 /nfs/dbraw/zinc/62/78/76/1396627876.db2.gz ZKDFSHWEVQEKIN-BRWVUGGUSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496277412 1396627880 /nfs/dbraw/zinc/62/78/80/1396627880.db2.gz ZKDFSHWEVQEKIN-BRWVUGGUSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689052994 1396849866 /nfs/dbraw/zinc/84/98/66/1396849866.db2.gz TUKGQLWSYFVPSI-ZWKOTPCHSA-N 2 2 348.535 3.316 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001689265587 1396997803 /nfs/dbraw/zinc/99/78/03/1396997803.db2.gz YCFCEGQSLUAXMP-KZNAEPCWSA-N 2 2 346.519 3.454 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001689265587 1396997808 /nfs/dbraw/zinc/99/78/08/1396997808.db2.gz YCFCEGQSLUAXMP-KZNAEPCWSA-N 2 2 346.519 3.454 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001689802022 1404143054 /nfs/dbraw/zinc/14/30/54/1404143054.db2.gz JTWAXXFWHIFKCV-INIZCTEOSA-N 2 2 344.503 3.377 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001689802022 1404143057 /nfs/dbraw/zinc/14/30/57/1404143057.db2.gz JTWAXXFWHIFKCV-INIZCTEOSA-N 2 2 344.503 3.377 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001689817196 1404155756 /nfs/dbraw/zinc/15/57/56/1404155756.db2.gz FUIILVXQQMOJHW-UHFFFAOYSA-N 2 2 339.430 3.104 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001689817196 1404155760 /nfs/dbraw/zinc/15/57/60/1404155760.db2.gz FUIILVXQQMOJHW-UHFFFAOYSA-N 2 2 339.430 3.104 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690498412 1404611304 /nfs/dbraw/zinc/61/13/04/1404611304.db2.gz HWHDGABDTFTBSS-QZTJIDSGSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690498412 1404611309 /nfs/dbraw/zinc/61/13/09/1404611309.db2.gz HWHDGABDTFTBSS-QZTJIDSGSA-N 2 2 348.535 3.334 10 0 EGAELP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001690781764 1404729700 /nfs/dbraw/zinc/72/97/00/1404729700.db2.gz SYVUNZCUJDINBS-DLBZAZTESA-N 2 2 342.487 3.002 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691304578 1405198357 /nfs/dbraw/zinc/19/83/57/1405198357.db2.gz CKXODJZNESOQEM-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691411894 1405250507 /nfs/dbraw/zinc/25/05/07/1405250507.db2.gz GOYIXYDELVMYDY-QGZVFWFLSA-N 2 2 342.487 3.216 10 0 EGAELP CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001691724362 1405447927 /nfs/dbraw/zinc/44/79/27/1405447927.db2.gz KURLJQSPMBXAIN-FUHWJXTLSA-N 2 2 347.503 3.040 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691844872 1405558783 /nfs/dbraw/zinc/55/87/83/1405558783.db2.gz NPIGQNMLFIGVMQ-SQNIBIBYSA-N 2 2 332.492 3.017 10 0 EGAELP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691853018 1405568776 /nfs/dbraw/zinc/56/87/76/1405568776.db2.gz NYAZSAFWYFQKLL-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001691853018 1405568779 /nfs/dbraw/zinc/56/87/79/1405568779.db2.gz NYAZSAFWYFQKLL-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691853018 1405568784 /nfs/dbraw/zinc/56/87/84/1405568784.db2.gz NYAZSAFWYFQKLL-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001691853018 1405568788 /nfs/dbraw/zinc/56/87/88/1405568788.db2.gz NYAZSAFWYFQKLL-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP CC1(C)CCC(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001691920297 1405649488 /nfs/dbraw/zinc/64/94/88/1405649488.db2.gz AISKKTBKZIWONA-DLBZAZTESA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC001692022927 1405740778 /nfs/dbraw/zinc/74/07/78/1405740778.db2.gz KYAVKOBNNIRCAL-MRXNPFEDSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001692022927 1405740781 /nfs/dbraw/zinc/74/07/81/1405740781.db2.gz KYAVKOBNNIRCAL-MRXNPFEDSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC001692022927 1405740786 /nfs/dbraw/zinc/74/07/86/1405740786.db2.gz KYAVKOBNNIRCAL-MRXNPFEDSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001692022927 1405740793 /nfs/dbraw/zinc/74/07/93/1405740793.db2.gz KYAVKOBNNIRCAL-MRXNPFEDSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692321348 1405939633 /nfs/dbraw/zinc/93/96/33/1405939633.db2.gz ATCPDOZPLNZQNQ-SFHVURJKSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692321348 1405939635 /nfs/dbraw/zinc/93/96/35/1405939635.db2.gz ATCPDOZPLNZQNQ-SFHVURJKSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001692330312 1405949613 /nfs/dbraw/zinc/94/96/13/1405949613.db2.gz YHHGMIHBUUVMOJ-QZTJIDSGSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001692330312 1405949617 /nfs/dbraw/zinc/94/96/17/1405949617.db2.gz YHHGMIHBUUVMOJ-QZTJIDSGSA-N 2 2 348.535 3.385 10 0 EGAELP Cn1c[nH+]cc1CC(=O)N1CCCCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001692334363 1405954618 /nfs/dbraw/zinc/95/46/18/1405954618.db2.gz UEMFMIIARNOOKN-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001732270792 1428507352 /nfs/dbraw/zinc/50/73/52/1428507352.db2.gz CBSBMPSTEABZAH-HSVJCBRXSA-N 2 2 346.862 3.147 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001732392563 1428561318 /nfs/dbraw/zinc/56/13/18/1428561318.db2.gz WTMIKRGVCCWACW-SFHVURJKSA-N 2 2 346.519 3.455 10 0 EGAELP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001732394085 1428562418 /nfs/dbraw/zinc/56/24/18/1428562418.db2.gz NPMGWQGIMVNXHD-MRXNPFEDSA-N 2 2 335.467 3.387 10 0 EGAELP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699397445 1412711897 /nfs/dbraw/zinc/71/18/97/1412711897.db2.gz QNNHDJWIGUPPJK-CVEARBPZSA-N 2 2 334.508 3.145 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001699523886 1412904645 /nfs/dbraw/zinc/90/46/45/1412904645.db2.gz WVJXGXJDQIKPLY-UHFFFAOYSA-N 2 2 343.446 3.398 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001699804485 1413217316 /nfs/dbraw/zinc/21/73/16/1413217316.db2.gz ZGXLCAJPSIVAER-LJQANCHMSA-N 2 2 344.503 3.038 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700089195 1413500316 /nfs/dbraw/zinc/50/03/16/1413500316.db2.gz JTJJOHJBRIPXBB-SFHVURJKSA-N 2 2 346.519 3.059 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198030 1413639837 /nfs/dbraw/zinc/63/98/37/1413639837.db2.gz PFWPOQBPWJUGLF-RBUKOAKNSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198030 1413639839 /nfs/dbraw/zinc/63/98/39/1413639839.db2.gz PFWPOQBPWJUGLF-RBUKOAKNSA-N 2 2 346.519 3.166 10 0 EGAELP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001700448373 1414027452 /nfs/dbraw/zinc/02/74/52/1414027452.db2.gz JSNBDNGBGGGBBE-KRWDZBQOSA-N 2 2 342.487 3.027 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866932 1414518857 /nfs/dbraw/zinc/51/88/57/1414518857.db2.gz OWNJSYCORAKRTA-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866932 1414518860 /nfs/dbraw/zinc/51/88/60/1414518860.db2.gz OWNJSYCORAKRTA-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866932 1414518864 /nfs/dbraw/zinc/51/88/64/1414518864.db2.gz OWNJSYCORAKRTA-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866932 1414518866 /nfs/dbraw/zinc/51/88/66/1414518866.db2.gz OWNJSYCORAKRTA-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700884454 1414543017 /nfs/dbraw/zinc/54/30/17/1414543017.db2.gz FZPQDFHWCTZOQW-AEFFLSMTSA-N 2 2 346.519 3.069 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CC(C)(C)C1 ZINC001700884454 1414543018 /nfs/dbraw/zinc/54/30/18/1414543018.db2.gz FZPQDFHWCTZOQW-AEFFLSMTSA-N 2 2 346.519 3.069 10 0 EGAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001707054347 1417168896 /nfs/dbraw/zinc/16/88/96/1417168896.db2.gz OWFYSQTYRGFVMB-WMZOPIPTSA-N 2 2 349.544 3.045 10 0 EGAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001707054347 1417168898 /nfs/dbraw/zinc/16/88/98/1417168898.db2.gz OWFYSQTYRGFVMB-WMZOPIPTSA-N 2 2 349.544 3.045 10 0 EGAELP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707276468 1417283622 /nfs/dbraw/zinc/28/36/22/1417283622.db2.gz ZPLJBDHSAPAYAF-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707276468 1417283625 /nfs/dbraw/zinc/28/36/25/1417283625.db2.gz ZPLJBDHSAPAYAF-IBGZPJMESA-N 2 2 346.519 3.236 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281657 1417291598 /nfs/dbraw/zinc/29/15/98/1417291598.db2.gz JTPODGPAUVXRSR-GOSISDBHSA-N 2 2 348.535 3.316 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281657 1417291600 /nfs/dbraw/zinc/29/16/00/1417291600.db2.gz JTPODGPAUVXRSR-GOSISDBHSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CC3CCCCC3)ccn12 ZINC001707376482 1417301438 /nfs/dbraw/zinc/30/14/38/1417301438.db2.gz AGTSMEDSKKMSAZ-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CC3CCCCC3)ccn12 ZINC001707376482 1417301441 /nfs/dbraw/zinc/30/14/41/1417301441.db2.gz AGTSMEDSKKMSAZ-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001713052326 1417604442 /nfs/dbraw/zinc/60/44/42/1417604442.db2.gz BFXVFVIAJICZGB-LJQANCHMSA-N 2 2 346.519 3.193 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001713136152 1417716900 /nfs/dbraw/zinc/71/69/00/1417716900.db2.gz ZCMGHQGULJONIB-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001713136152 1417716904 /nfs/dbraw/zinc/71/69/04/1417716904.db2.gz ZCMGHQGULJONIB-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001713136152 1417716905 /nfs/dbraw/zinc/71/69/05/1417716905.db2.gz ZCMGHQGULJONIB-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001713136152 1417716908 /nfs/dbraw/zinc/71/69/08/1417716908.db2.gz ZCMGHQGULJONIB-DLBZAZTESA-N 2 2 348.535 3.195 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182765 1417757626 /nfs/dbraw/zinc/75/76/26/1417757626.db2.gz PTXMVNAIUOUTFY-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182765 1417757629 /nfs/dbraw/zinc/75/76/29/1417757629.db2.gz PTXMVNAIUOUTFY-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713233043 1417819948 /nfs/dbraw/zinc/81/99/48/1417819948.db2.gz KFYPYIDJVIKJFD-BRWVUGGUSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713233043 1417819951 /nfs/dbraw/zinc/81/99/51/1417819951.db2.gz KFYPYIDJVIKJFD-BRWVUGGUSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713288237 1417915282 /nfs/dbraw/zinc/91/52/82/1417915282.db2.gz KSLNGOSTRJJHQT-ACBHZAAOSA-N 2 2 346.519 3.454 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCOC(C)C)C2)c(C)[nH+]1 ZINC001713376732 1417986719 /nfs/dbraw/zinc/98/67/19/1417986719.db2.gz IUDXEQXROWSCAS-QZTJIDSGSA-N 2 2 347.503 3.062 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713732221 1418520269 /nfs/dbraw/zinc/52/02/69/1418520269.db2.gz AWBRLIBOYMGVJM-SFHVURJKSA-N 2 2 329.488 3.415 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713732221 1418520274 /nfs/dbraw/zinc/52/02/74/1418520274.db2.gz AWBRLIBOYMGVJM-SFHVURJKSA-N 2 2 329.488 3.415 10 0 EGAELP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714131465 1418935076 /nfs/dbraw/zinc/93/50/76/1418935076.db2.gz MWYWEJBMKNDENK-GOSISDBHSA-N 2 2 347.503 3.018 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccccc2C)c[nH+]1 ZINC001714246922 1419033538 /nfs/dbraw/zinc/03/35/38/1419033538.db2.gz MSMRBKNDYCEUGP-RDJZCZTQSA-N 2 2 342.487 3.091 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC/C=C/c1ccccc1 ZINC001714247017 1419033730 /nfs/dbraw/zinc/03/37/30/1419033730.db2.gz ODGXVQQOCHHTEQ-RDTXFTJFSA-N 2 2 348.450 3.374 10 0 EGAELP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714279445 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RCUYGIVRERJHFP-VBKZILBWSA-N 2 2 331.504 3.495 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001722940075 1424267179 /nfs/dbraw/zinc/26/71/79/1424267179.db2.gz OKJBGRJOCQRKRK-ROUUACIJSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529298 1429736126 /nfs/dbraw/zinc/73/61/26/1429736126.db2.gz UBQKSXKCJDOAOX-CABCVRRESA-N 2 2 328.460 3.049 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001724250498 1424755926 /nfs/dbraw/zinc/75/59/26/1424755926.db2.gz MTVPNKZPCGVVHZ-XLIONFOSSA-N 2 2 344.503 3.163 10 0 EGAELP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724323317 1424809362 /nfs/dbraw/zinc/80/93/62/1424809362.db2.gz KARMXJRTZXHYRQ-HKUYNNGSSA-N 2 2 334.508 3.099 10 0 EGAELP CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724323317 1424809366 /nfs/dbraw/zinc/80/93/66/1424809366.db2.gz KARMXJRTZXHYRQ-HKUYNNGSSA-N 2 2 334.508 3.099 10 0 EGAELP CC[N@H+](CCC1CCCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001725026026 1425444773 /nfs/dbraw/zinc/44/47/73/1425444773.db2.gz MTJUXQZIOGZITQ-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CC[N@@H+](CCC1CCCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001725026026 1425444775 /nfs/dbraw/zinc/44/47/75/1425444775.db2.gz MTJUXQZIOGZITQ-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725094606 1425538341 /nfs/dbraw/zinc/53/83/41/1425538341.db2.gz LSAIMJQXMAFHAQ-WJNHHXLDSA-N 2 2 328.460 3.406 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001725101640 1425547799 /nfs/dbraw/zinc/54/77/99/1425547799.db2.gz HTQFHXOUDCKAEN-IRXDYDNUSA-N 2 2 342.487 3.080 10 0 EGAELP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725422445 1426074202 /nfs/dbraw/zinc/07/42/02/1426074202.db2.gz AVFZGBQVPXOITQ-UHFFFAOYSA-N 2 2 342.487 3.307 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725422445 1426074208 /nfs/dbraw/zinc/07/42/08/1426074208.db2.gz AVFZGBQVPXOITQ-UHFFFAOYSA-N 2 2 342.487 3.307 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)[NH2+]CC3=CCCCC3)ccn12 ZINC001725477616 1426151244 /nfs/dbraw/zinc/15/12/44/1426151244.db2.gz AEKVAZVXMZSFFV-OAHLLOKOSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733680 1426407093 /nfs/dbraw/zinc/40/70/93/1426407093.db2.gz SEKQPAVDHVBVRL-UHFFFAOYSA-N 2 2 334.508 3.091 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725733680 1426407095 /nfs/dbraw/zinc/40/70/95/1426407095.db2.gz SEKQPAVDHVBVRL-UHFFFAOYSA-N 2 2 334.508 3.091 10 0 EGAELP CCOCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001731701549 1427753826 /nfs/dbraw/zinc/75/38/26/1427753826.db2.gz TXCSGGVCXIDYPS-ZWKOTPCHSA-N 2 2 347.503 3.064 10 0 EGAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H]1CCc2ccccc21 ZINC001731730731 1427806947 /nfs/dbraw/zinc/80/69/47/1427806947.db2.gz FDJVGAIOSJJIHA-QAPCUYQASA-N 2 2 348.450 3.120 10 0 EGAELP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731804212 1427972507 /nfs/dbraw/zinc/97/25/07/1427972507.db2.gz AMMHRSYDTTYKDC-ZHALLVOQSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731804212 1427972516 /nfs/dbraw/zinc/97/25/16/1427972516.db2.gz AMMHRSYDTTYKDC-ZHALLVOQSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731804212 1427972519 /nfs/dbraw/zinc/97/25/19/1427972519.db2.gz AMMHRSYDTTYKDC-ZHALLVOQSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731804212 1427972526 /nfs/dbraw/zinc/97/25/26/1427972526.db2.gz AMMHRSYDTTYKDC-ZHALLVOQSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001731815983 1428010182 /nfs/dbraw/zinc/01/01/82/1428010182.db2.gz HZSKMKMXCFIGOM-QGZVFWFLSA-N 2 2 348.878 3.126 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001731815983 1428010188 /nfs/dbraw/zinc/01/01/88/1428010188.db2.gz HZSKMKMXCFIGOM-QGZVFWFLSA-N 2 2 348.878 3.126 10 0 EGAELP Cc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)c(C)c1 ZINC001731938332 1428176925 /nfs/dbraw/zinc/17/69/25/1428176925.db2.gz VZMXRJWBRRSJME-UHFFFAOYSA-N 2 2 339.483 3.486 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733657908 1429849270 /nfs/dbraw/zinc/84/92/70/1429849270.db2.gz HGKHHQBJEWVHMN-RDTXWAMCSA-N 2 2 331.504 3.495 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733864373 1437692629 /nfs/dbraw/zinc/69/26/29/1437692629.db2.gz QSFPHZKYVQCAQM-MBZYTVFJSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733864373 1437692632 /nfs/dbraw/zinc/69/26/32/1437692632.db2.gz QSFPHZKYVQCAQM-MBZYTVFJSA-N 2 2 344.503 3.230 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001733895425 1437713198 /nfs/dbraw/zinc/71/31/98/1437713198.db2.gz UPRWVSVUJZXVAL-YJBOKZPZSA-N 2 2 342.487 3.416 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001733895425 1437713199 /nfs/dbraw/zinc/71/31/99/1437713199.db2.gz UPRWVSVUJZXVAL-YJBOKZPZSA-N 2 2 342.487 3.416 10 0 EGAELP C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC(C)(C)C ZINC001734336133 1438058044 /nfs/dbraw/zinc/05/80/44/1438058044.db2.gz WIXFYPCNDJCYTB-INIZCTEOSA-N 2 2 342.487 3.359 10 0 EGAELP CC(C)C[NH+]1CCC2(C[C@@H](c3noc(C4CCC4)n3)[N@H+](C)C2)CC1 ZINC001772495489 1441416075 /nfs/dbraw/zinc/41/60/75/1441416075.db2.gz IDMUYYFDINOWRN-INIZCTEOSA-N 2 2 332.492 3.452 10 0 EGAELP CC(C)C[NH+]1CCC2(C[C@@H](c3noc(C4CCC4)n3)[N@@H+](C)C2)CC1 ZINC001772495489 1441416076 /nfs/dbraw/zinc/41/60/76/1441416076.db2.gz IDMUYYFDINOWRN-INIZCTEOSA-N 2 2 332.492 3.452 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368103588 168312087 /nfs/dbraw/zinc/31/20/87/168312087.db2.gz XBUODKBZCNVNNF-TZMCWYRMSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368103588 168312089 /nfs/dbraw/zinc/31/20/89/168312089.db2.gz XBUODKBZCNVNNF-TZMCWYRMSA-N 2 2 346.862 3.236 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094766 217360509 /nfs/dbraw/zinc/36/05/09/217360509.db2.gz PPCLXANQPDVCPV-MSOLQXFVSA-N 2 2 331.504 3.212 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094766 217360510 /nfs/dbraw/zinc/36/05/10/217360510.db2.gz PPCLXANQPDVCPV-MSOLQXFVSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094766 217360512 /nfs/dbraw/zinc/36/05/12/217360512.db2.gz PPCLXANQPDVCPV-MSOLQXFVSA-N 2 2 331.504 3.212 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000081094766 217360516 /nfs/dbraw/zinc/36/05/16/217360516.db2.gz PPCLXANQPDVCPV-MSOLQXFVSA-N 2 2 331.504 3.212 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091960460 218095067 /nfs/dbraw/zinc/09/50/67/218095067.db2.gz ACEWDKQPNLWRDV-KDOFPFPSSA-N 2 2 339.418 3.495 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091960460 218095069 /nfs/dbraw/zinc/09/50/69/218095069.db2.gz ACEWDKQPNLWRDV-KDOFPFPSSA-N 2 2 339.418 3.495 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000093644004 218238213 /nfs/dbraw/zinc/23/82/13/218238213.db2.gz PPVHYHAOIBEGBX-GXTWGEPZSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000093644004 218238215 /nfs/dbraw/zinc/23/82/15/218238215.db2.gz PPVHYHAOIBEGBX-GXTWGEPZSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644004 218238217 /nfs/dbraw/zinc/23/82/17/218238217.db2.gz PPVHYHAOIBEGBX-GXTWGEPZSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644004 218238221 /nfs/dbraw/zinc/23/82/21/218238221.db2.gz PPVHYHAOIBEGBX-GXTWGEPZSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736096 252186889 /nfs/dbraw/zinc/18/68/89/252186889.db2.gz VRFWNWLFYRLUMC-PXNSSMCTSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736096 252186893 /nfs/dbraw/zinc/18/68/93/252186893.db2.gz VRFWNWLFYRLUMC-PXNSSMCTSA-N 2 2 347.466 3.192 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000328627883 258031145 /nfs/dbraw/zinc/03/11/45/258031145.db2.gz GRRFBUOKRQGGOD-FUHWJXTLSA-N 2 2 340.402 3.117 10 0 EGAELP Cc1csc(C[NH+]2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)n1 ZINC000328656989 258018961 /nfs/dbraw/zinc/01/89/61/258018961.db2.gz ZWNNEUTWQYYNKJ-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)n1 ZINC000328656989 258018963 /nfs/dbraw/zinc/01/89/63/258018963.db2.gz ZWNNEUTWQYYNKJ-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)n1 ZINC000328656989 258018964 /nfs/dbraw/zinc/01/89/64/258018964.db2.gz ZWNNEUTWQYYNKJ-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)n1 ZINC000328656989 258018966 /nfs/dbraw/zinc/01/89/66/258018966.db2.gz ZWNNEUTWQYYNKJ-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP C[N@H+](CCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328646942 258021825 /nfs/dbraw/zinc/02/18/25/258021825.db2.gz SXJGIFQVILKQBD-ICSRJNTNSA-N 2 2 325.456 3.085 10 0 EGAELP C[N@@H+](CCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328646942 258021826 /nfs/dbraw/zinc/02/18/26/258021826.db2.gz SXJGIFQVILKQBD-ICSRJNTNSA-N 2 2 325.456 3.085 10 0 EGAELP C[NH+](CCOc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328646942 258021827 /nfs/dbraw/zinc/02/18/27/258021827.db2.gz SXJGIFQVILKQBD-ICSRJNTNSA-N 2 2 325.456 3.085 10 0 EGAELP C[NH+](CCOc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328646942 258021829 /nfs/dbraw/zinc/02/18/29/258021829.db2.gz SXJGIFQVILKQBD-ICSRJNTNSA-N 2 2 325.456 3.085 10 0 EGAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246983565 141047266 /nfs/dbraw/zinc/04/72/66/141047266.db2.gz SLZRTIBBTRSQGF-FRQCXROJSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246983565 141047267 /nfs/dbraw/zinc/04/72/67/141047267.db2.gz SLZRTIBBTRSQGF-FRQCXROJSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246983565 141047268 /nfs/dbraw/zinc/04/72/68/141047268.db2.gz SLZRTIBBTRSQGF-FRQCXROJSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246983565 141047269 /nfs/dbraw/zinc/04/72/69/141047269.db2.gz SLZRTIBBTRSQGF-FRQCXROJSA-N 2 2 349.494 3.150 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989895 141059367 /nfs/dbraw/zinc/05/93/67/141059367.db2.gz JNIFQOIMOHSMTH-BPAFIMBUSA-N 2 2 337.467 3.275 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000268989895 141059368 /nfs/dbraw/zinc/05/93/68/141059368.db2.gz JNIFQOIMOHSMTH-BPAFIMBUSA-N 2 2 337.467 3.275 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255775 141144990 /nfs/dbraw/zinc/14/49/90/141144990.db2.gz QZCLNQNUCNVBDC-PBHICJAKSA-N 2 2 347.409 3.293 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255775 141144991 /nfs/dbraw/zinc/14/49/91/141144991.db2.gz QZCLNQNUCNVBDC-PBHICJAKSA-N 2 2 347.409 3.293 10 0 EGAELP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350738661 141264355 /nfs/dbraw/zinc/26/43/55/141264355.db2.gz YNUFIZCBVSTRLC-OAHLLOKOSA-N 2 2 339.487 3.191 10 0 EGAELP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350738661 141264358 /nfs/dbraw/zinc/26/43/58/141264358.db2.gz YNUFIZCBVSTRLC-OAHLLOKOSA-N 2 2 339.487 3.191 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000353019250 141286613 /nfs/dbraw/zinc/28/66/13/141286613.db2.gz FYGYZTYLBYQUOZ-XDHUDOTRSA-N 2 2 343.496 3.061 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000353019250 141286615 /nfs/dbraw/zinc/28/66/15/141286615.db2.gz FYGYZTYLBYQUOZ-XDHUDOTRSA-N 2 2 343.496 3.061 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000356255714 141329623 /nfs/dbraw/zinc/32/96/23/141329623.db2.gz ALHYIWWVPKCLJL-HZPDHXFCSA-N 2 2 349.494 3.198 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000359638575 141395010 /nfs/dbraw/zinc/39/50/10/141395010.db2.gz TUGHTGUJXOTDSK-HNNXBMFYSA-N 2 2 347.894 3.447 10 0 EGAELP C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589851 144006793 /nfs/dbraw/zinc/00/67/93/144006793.db2.gz FZDZZHSPVLUZLQ-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589851 144006795 /nfs/dbraw/zinc/00/67/95/144006795.db2.gz FZDZZHSPVLUZLQ-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307474 144156584 /nfs/dbraw/zinc/15/65/84/144156584.db2.gz MCKCUTLFNXSTBL-AUUYWEPGSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307474 144156585 /nfs/dbraw/zinc/15/65/85/144156585.db2.gz MCKCUTLFNXSTBL-AUUYWEPGSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307474 144156587 /nfs/dbraw/zinc/15/65/87/144156587.db2.gz MCKCUTLFNXSTBL-AUUYWEPGSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307474 144156590 /nfs/dbraw/zinc/15/65/90/144156590.db2.gz MCKCUTLFNXSTBL-AUUYWEPGSA-N 2 2 348.437 3.486 10 0 EGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000121369396 152345992 /nfs/dbraw/zinc/34/59/92/152345992.db2.gz PVDFNMWZQDPOKN-AWEZNQCLSA-N 2 2 325.412 3.130 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CCO1 ZINC000191258380 153184633 /nfs/dbraw/zinc/18/46/33/153184633.db2.gz XOHSNWDTSXBAMP-KRWDZBQOSA-N 2 2 344.499 3.161 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CCO1 ZINC000191258380 153184639 /nfs/dbraw/zinc/18/46/39/153184639.db2.gz XOHSNWDTSXBAMP-KRWDZBQOSA-N 2 2 344.499 3.161 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000192762215 153257920 /nfs/dbraw/zinc/25/79/20/153257920.db2.gz LFCGNBJZIPNQJJ-ZIAGYGMSSA-N 2 2 337.427 3.397 10 0 EGAELP CCOC(=O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000194199802 153326069 /nfs/dbraw/zinc/32/60/69/153326069.db2.gz ISSKMESBTKKYHU-UHFFFAOYSA-N 2 2 326.440 3.068 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336787025 154211017 /nfs/dbraw/zinc/21/10/17/154211017.db2.gz DCBAOBLSKDMQHJ-UZLBHIALSA-N 2 2 340.467 3.456 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336787025 154211021 /nfs/dbraw/zinc/21/10/21/154211021.db2.gz DCBAOBLSKDMQHJ-UZLBHIALSA-N 2 2 340.467 3.456 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000346937174 156204804 /nfs/dbraw/zinc/20/48/04/156204804.db2.gz AJWGIZKFVGGBSB-UHFFFAOYSA-N 2 2 344.378 3.285 10 0 EGAELP CC[N@H+](C[C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365508077 157151010 /nfs/dbraw/zinc/15/10/10/157151010.db2.gz NPNGLZODPSNRKU-KRWDZBQOSA-N 2 2 346.519 3.236 10 0 EGAELP CC[N@@H+](C[C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365508077 157151015 /nfs/dbraw/zinc/15/10/15/157151015.db2.gz NPNGLZODPSNRKU-KRWDZBQOSA-N 2 2 346.519 3.236 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604626 162017573 /nfs/dbraw/zinc/01/75/73/162017573.db2.gz YZRLDGUCLPWRDR-OAHLLOKOSA-N 2 2 328.485 3.123 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604626 162017575 /nfs/dbraw/zinc/01/75/75/162017575.db2.gz YZRLDGUCLPWRDR-OAHLLOKOSA-N 2 2 328.485 3.123 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000109793009 162112177 /nfs/dbraw/zinc/11/21/77/162112177.db2.gz ZJDODKWVBYSNMD-UHFFFAOYSA-N 2 2 338.411 3.384 10 0 EGAELP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000130516280 162370266 /nfs/dbraw/zinc/37/02/66/162370266.db2.gz QYNNDDMCBDABSD-UHFFFAOYSA-N 2 2 349.906 3.395 10 0 EGAELP CC[NH+](CC)[C@@H](C(=O)NCc1[nH+]ccn1CC(C)C)c1ccccc1 ZINC000131196945 162393417 /nfs/dbraw/zinc/39/34/17/162393417.db2.gz ACXRYMUBUHJFNV-LJQANCHMSA-N 2 2 342.487 3.238 10 0 EGAELP CC[N@H+](CCC[C@@H](C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354742678 166022098 /nfs/dbraw/zinc/02/20/98/166022098.db2.gz YUWHHGUUAUBJML-QGZVFWFLSA-N 2 2 348.535 3.360 10 0 EGAELP CC[N@@H+](CCC[C@@H](C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354742678 166022101 /nfs/dbraw/zinc/02/21/01/166022101.db2.gz YUWHHGUUAUBJML-QGZVFWFLSA-N 2 2 348.535 3.360 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000343637447 164000478 /nfs/dbraw/zinc/00/04/78/164000478.db2.gz KKXROROWAVRWDZ-UHFFFAOYSA-N 2 2 347.466 3.411 10 0 EGAELP c1cn(-c2csc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)cn1 ZINC000346184383 164358682 /nfs/dbraw/zinc/35/86/82/164358682.db2.gz TWSSFMFTPCUDKG-UHFFFAOYSA-N 2 2 330.501 3.384 10 0 EGAELP c1cn(-c2csc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)c[nH+]1 ZINC000346184383 164358685 /nfs/dbraw/zinc/35/86/85/164358685.db2.gz TWSSFMFTPCUDKG-UHFFFAOYSA-N 3 2 330.501 3.384 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@@H+]1C ZINC000346314562 164367817 /nfs/dbraw/zinc/36/78/17/164367817.db2.gz RTDVGVVRGXWRQT-DOTOQJQBSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@H+]1C ZINC000346314562 164367819 /nfs/dbraw/zinc/36/78/19/164367819.db2.gz RTDVGVVRGXWRQT-DOTOQJQBSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314562 164367821 /nfs/dbraw/zinc/36/78/21/164367821.db2.gz RTDVGVVRGXWRQT-DOTOQJQBSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314562 164367822 /nfs/dbraw/zinc/36/78/22/164367822.db2.gz RTDVGVVRGXWRQT-DOTOQJQBSA-N 2 2 326.444 3.183 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000353291138 165714400 /nfs/dbraw/zinc/71/44/00/165714400.db2.gz MSQQURJWNVMSFQ-NZSAHSFTSA-N 2 2 338.536 3.061 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355269123 166151698 /nfs/dbraw/zinc/15/16/98/166151698.db2.gz USWGRFJLAGEKPV-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355269123 166151699 /nfs/dbraw/zinc/15/16/99/166151699.db2.gz USWGRFJLAGEKPV-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2)cc1 ZINC000364911403 168000764 /nfs/dbraw/zinc/00/07/64/168000764.db2.gz XKUNXGHZPBOHHL-MRXNPFEDSA-N 2 2 344.846 3.436 10 0 EGAELP c1[nH]c2ccccc2c1C[C@@H]1COCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000366928222 168158078 /nfs/dbraw/zinc/15/80/78/168158078.db2.gz RYSLIRZZVNZBSU-LJQANCHMSA-N 2 2 341.499 3.287 10 0 EGAELP c1[nH]c2ccccc2c1C[C@@H]1COCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000366928222 168158080 /nfs/dbraw/zinc/15/80/80/168158080.db2.gz RYSLIRZZVNZBSU-LJQANCHMSA-N 2 2 341.499 3.287 10 0 EGAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000367600843 168247954 /nfs/dbraw/zinc/24/79/54/168247954.db2.gz LGPWNUVMJLASMC-IBGZPJMESA-N 2 2 342.487 3.298 10 0 EGAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000368089816 168309393 /nfs/dbraw/zinc/30/93/93/168309393.db2.gz OAYLYIUPIPYSAH-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000368089816 168309396 /nfs/dbraw/zinc/30/93/96/168309396.db2.gz OAYLYIUPIPYSAH-JTQLQIEISA-N 2 2 340.652 3.473 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123936906 222354948 /nfs/dbraw/zinc/35/49/48/222354948.db2.gz XFXDHXDEJKUYPT-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123936906 222354950 /nfs/dbraw/zinc/35/49/50/222354950.db2.gz XFXDHXDEJKUYPT-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936906 222354952 /nfs/dbraw/zinc/35/49/52/222354952.db2.gz XFXDHXDEJKUYPT-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936906 222354954 /nfs/dbraw/zinc/35/49/54/222354954.db2.gz XFXDHXDEJKUYPT-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000171647787 227197423 /nfs/dbraw/zinc/19/74/23/227197423.db2.gz FTISKSCGBBKMAJ-AWEZNQCLSA-N 2 2 344.846 3.108 10 0 EGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000171647787 227197428 /nfs/dbraw/zinc/19/74/28/227197428.db2.gz FTISKSCGBBKMAJ-AWEZNQCLSA-N 2 2 344.846 3.108 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000178326001 265308981 /nfs/dbraw/zinc/30/89/81/265308981.db2.gz KWBVEOFBOLIFEK-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000178326001 265308986 /nfs/dbraw/zinc/30/89/86/265308986.db2.gz KWBVEOFBOLIFEK-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000047972887 275144479 /nfs/dbraw/zinc/14/44/79/275144479.db2.gz OCEUWJNLVLDARP-UHFFFAOYSA-N 2 2 335.879 3.086 10 0 EGAELP Brc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000089800137 275153382 /nfs/dbraw/zinc/15/33/82/275153382.db2.gz FCHGRKFJYDXURG-SNVBAGLBSA-N 2 2 326.263 3.374 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794437 276214252 /nfs/dbraw/zinc/21/42/52/276214252.db2.gz LLOHAYQEYGMBDK-CZUORRHYSA-N 2 2 338.879 3.273 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794437 276214253 /nfs/dbraw/zinc/21/42/53/276214253.db2.gz LLOHAYQEYGMBDK-CZUORRHYSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794437 276214254 /nfs/dbraw/zinc/21/42/54/276214254.db2.gz LLOHAYQEYGMBDK-CZUORRHYSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@H](C)C1 ZINC000343794437 276214255 /nfs/dbraw/zinc/21/42/55/276214255.db2.gz LLOHAYQEYGMBDK-CZUORRHYSA-N 2 2 338.879 3.273 10 0 EGAELP CC1(C)OCc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2O1 ZINC000186253483 278417382 /nfs/dbraw/zinc/41/73/82/278417382.db2.gz ADWZGXUFNUESPH-UHFFFAOYSA-N 2 2 330.472 3.392 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101734 280333926 /nfs/dbraw/zinc/33/39/26/280333926.db2.gz KZMQENHFTAPFKD-PXAZEXFGSA-N 2 2 326.400 3.101 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101734 280333928 /nfs/dbraw/zinc/33/39/28/280333928.db2.gz KZMQENHFTAPFKD-PXAZEXFGSA-N 2 2 326.400 3.101 10 0 EGAELP OC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414347063 309074228 /nfs/dbraw/zinc/07/42/28/309074228.db2.gz VKTFZLAEGJPOEM-YJBOKZPZSA-N 2 2 336.907 3.445 10 0 EGAELP Fc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000414352123 309074469 /nfs/dbraw/zinc/07/44/69/309074469.db2.gz SPIRCCXZMVCCAD-GOSISDBHSA-N 2 2 340.446 3.058 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248608128 308007039 /nfs/dbraw/zinc/00/70/39/308007039.db2.gz VXGUTBPRMFCFSZ-VNTMZGSJSA-N 2 2 349.563 3.074 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248608128 308007040 /nfs/dbraw/zinc/00/70/40/308007040.db2.gz VXGUTBPRMFCFSZ-VNTMZGSJSA-N 2 2 349.563 3.074 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394903 309077424 /nfs/dbraw/zinc/07/74/24/309077424.db2.gz JBTGEPNBHWPBQQ-YWZLYKJASA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394903 309077425 /nfs/dbraw/zinc/07/74/25/309077425.db2.gz JBTGEPNBHWPBQQ-YWZLYKJASA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394903 309077426 /nfs/dbraw/zinc/07/74/26/309077426.db2.gz JBTGEPNBHWPBQQ-YWZLYKJASA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394903 309077427 /nfs/dbraw/zinc/07/74/27/309077427.db2.gz JBTGEPNBHWPBQQ-YWZLYKJASA-N 2 2 344.478 3.482 10 0 EGAELP Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000414562963 309089626 /nfs/dbraw/zinc/08/96/26/309089626.db2.gz BPKGYKXHUZMSID-SFHVURJKSA-N 2 2 336.414 3.380 10 0 EGAELP CC(C)([NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414811349 309103084 /nfs/dbraw/zinc/10/30/84/309103084.db2.gz ZKLRAYNZYCRZGZ-UHFFFAOYSA-N 2 2 340.290 3.400 10 0 EGAELP Cc1ccc(N2CCC(Nc3nc(C)[nH+]c4c3CCCC4)CC2)[nH+]c1 ZINC000302034826 308726183 /nfs/dbraw/zinc/72/61/83/308726183.db2.gz DXGQMJZOSGDKEB-UHFFFAOYSA-N 2 2 337.471 3.448 10 0 EGAELP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414976516 309112441 /nfs/dbraw/zinc/11/24/41/309112441.db2.gz IBAZZWFRFXHZPI-GFCCVEGCSA-N 2 2 340.290 3.400 10 0 EGAELP C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H](C)[NH3+] ZINC000415015788 309114384 /nfs/dbraw/zinc/11/43/84/309114384.db2.gz ZLUBZSWALFDEON-VHSXEESVSA-N 2 2 340.290 3.398 10 0 EGAELP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032890 309115410 /nfs/dbraw/zinc/11/54/10/309115410.db2.gz BFUBPJOEYYVXPH-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032890 309115411 /nfs/dbraw/zinc/11/54/11/309115411.db2.gz BFUBPJOEYYVXPH-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Cl)c1OC ZINC000415052097 309116672 /nfs/dbraw/zinc/11/66/72/309116672.db2.gz HIVYUOLFMPUYQT-SJKOYZFVSA-N 2 2 326.868 3.164 10 0 EGAELP CCOc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Cl)c1OC ZINC000415052097 309116673 /nfs/dbraw/zinc/11/66/73/309116673.db2.gz HIVYUOLFMPUYQT-SJKOYZFVSA-N 2 2 326.868 3.164 10 0 EGAELP C[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc2C[NH2+]1 ZINC000415106266 309120709 /nfs/dbraw/zinc/12/07/09/309120709.db2.gz UINVJEPDXZPQKJ-QGZVFWFLSA-N 2 2 332.451 3.430 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374840 309285156 /nfs/dbraw/zinc/28/51/56/309285156.db2.gz NXYIAWIHTNEWPD-IERDGZPVSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374840 309285157 /nfs/dbraw/zinc/28/51/57/309285157.db2.gz NXYIAWIHTNEWPD-IERDGZPVSA-N 2 2 343.515 3.214 10 0 EGAELP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564659 309361776 /nfs/dbraw/zinc/36/17/76/309361776.db2.gz WPCRJSJKAAPETO-UHFFFAOYSA-N 2 2 346.425 3.095 10 0 EGAELP [NH3+][C@H]1CCC[C@@H]1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720438 309364922 /nfs/dbraw/zinc/36/49/22/309364922.db2.gz ZOEDQZUAZFQMDZ-IRXDYDNUSA-N 2 2 341.421 3.139 10 0 EGAELP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720438 309364923 /nfs/dbraw/zinc/36/49/23/309364923.db2.gz ZOEDQZUAZFQMDZ-IRXDYDNUSA-N 2 2 341.421 3.139 10 0 EGAELP COc1ccc(CC[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422731570 309365657 /nfs/dbraw/zinc/36/56/57/309365657.db2.gz NPVNNTXQMBKAFD-LEWJYISDSA-N 2 2 340.467 3.329 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947733 309377579 /nfs/dbraw/zinc/37/75/79/309377579.db2.gz YSICLUARIBUPRN-YLJYHZDGSA-N 2 2 340.467 3.122 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422990502 309379897 /nfs/dbraw/zinc/37/98/97/309379897.db2.gz NQQVSFATODHRAL-AFYVEPGGSA-N 2 2 332.488 3.282 10 0 EGAELP CCOC1CC(CC[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000423067938 309384099 /nfs/dbraw/zinc/38/40/99/309384099.db2.gz IVELYTHPVIQCKF-CVMOCDCISA-N 2 2 332.488 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2cccc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000423110503 309386416 /nfs/dbraw/zinc/38/64/16/309386416.db2.gz UWGFZNWUFTVRRK-RTWAWAEBSA-N 2 2 339.483 3.414 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCC2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423143427 309388206 /nfs/dbraw/zinc/38/82/06/309388206.db2.gz DAYRLGIXLMHZIQ-WOJBJXKFSA-N 2 2 332.488 3.285 10 0 EGAELP CSc1ccc([C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423148529 309388386 /nfs/dbraw/zinc/38/83/86/309388386.db2.gz VTRUICSJRBMZEE-UGSOOPFHSA-N 2 2 330.501 3.170 10 0 EGAELP CSc1ccc([C@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423148529 309388387 /nfs/dbraw/zinc/38/83/87/309388387.db2.gz VTRUICSJRBMZEE-UGSOOPFHSA-N 2 2 330.501 3.170 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@@H]2CCC[NH2+]2)cc1 ZINC000423169314 309389067 /nfs/dbraw/zinc/38/90/67/309389067.db2.gz JAHAMKASYJWUEO-MANSERQUSA-N 2 2 330.472 3.036 10 0 EGAELP Fc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCS2 ZINC000423231452 309391570 /nfs/dbraw/zinc/39/15/70/309391570.db2.gz LCEDJAMOYLIMRG-INIZCTEOSA-N 2 2 344.459 3.279 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252900 309392428 /nfs/dbraw/zinc/39/24/28/309392428.db2.gz YBEQJMVDADWASH-UGSOOPFHSA-N 2 2 327.428 3.004 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423573188 309406482 /nfs/dbraw/zinc/40/64/82/309406482.db2.gz ZDJXQGCYFOHIAU-YGRLFVJLSA-N 2 2 327.241 3.307 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@H]2C1 ZINC000424269471 309435349 /nfs/dbraw/zinc/43/53/49/309435349.db2.gz PJFJYGKHLZOILG-WNKDZCFJSA-N 2 2 329.419 3.305 10 0 EGAELP c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447514274 309980405 /nfs/dbraw/zinc/98/04/05/309980405.db2.gz COEXDPLMWDMJBT-LJQANCHMSA-N 2 2 326.440 3.279 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000449249135 310047442 /nfs/dbraw/zinc/04/74/42/310047442.db2.gz KSCMEFMENJVLHW-PXNSSMCTSA-N 2 2 342.483 3.388 10 0 EGAELP Cc1ccc(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c[nH+]1 ZINC000449422682 310060838 /nfs/dbraw/zinc/06/08/38/310060838.db2.gz NEAJNRLBXFLDEM-UXHICEINSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1ccc(CCC[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c[nH+]1 ZINC000449422682 310060839 /nfs/dbraw/zinc/06/08/39/310060839.db2.gz NEAJNRLBXFLDEM-UXHICEINSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451593135 310188359 /nfs/dbraw/zinc/18/83/59/310188359.db2.gz CRTFKKLFHFINOM-UXHICEINSA-N 2 2 325.456 3.067 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCCc4[nH+]ccn43)ccc21 ZINC000452352819 310224585 /nfs/dbraw/zinc/22/45/85/310224585.db2.gz IDELFTDXKNFQNU-MRXNPFEDSA-N 2 2 335.411 3.013 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078332 310256550 /nfs/dbraw/zinc/25/65/50/310256550.db2.gz CLHJXUFBZJPYSN-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078332 310256551 /nfs/dbraw/zinc/25/65/51/310256551.db2.gz CLHJXUFBZJPYSN-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258575 310267506 /nfs/dbraw/zinc/26/75/06/310267506.db2.gz HVMOIPVXZYZYSO-CRAIPNDOSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258575 310267507 /nfs/dbraw/zinc/26/75/07/310267507.db2.gz HVMOIPVXZYZYSO-CRAIPNDOSA-N 2 2 326.431 3.098 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2(C3CCC3)CCC2)([NH+]2CCCCC2)CC1 ZINC000455810004 310377925 /nfs/dbraw/zinc/37/79/25/310377925.db2.gz ZYKNLUAPDSTRPW-UHFFFAOYSA-N 2 2 347.547 3.023 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)c1 ZINC000459659526 310567050 /nfs/dbraw/zinc/56/70/50/310567050.db2.gz KMGDFFCNMJPHLW-UHFFFAOYSA-N 2 2 337.471 3.236 10 0 EGAELP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459665562 310567379 /nfs/dbraw/zinc/56/73/79/310567379.db2.gz QMPAZACKTMDUKN-HNNXBMFYSA-N 2 2 332.467 3.374 10 0 EGAELP COc1ccc([C@@H](C)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000467544367 310675766 /nfs/dbraw/zinc/67/57/66/310675766.db2.gz UWOMLVAEHZSLKB-KRWDZBQOSA-N 2 2 325.456 3.324 10 0 EGAELP C[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)[C@@H]1CC1(C)C ZINC000487276247 311018644 /nfs/dbraw/zinc/01/86/44/311018644.db2.gz JPECAQIVBXWGPT-HOCLYGCPSA-N 2 2 342.487 3.284 10 0 EGAELP C[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)[C@@H]1CC1(C)C ZINC000487276249 311018722 /nfs/dbraw/zinc/01/87/22/311018722.db2.gz JPECAQIVBXWGPT-ZBFHGGJFSA-N 2 2 342.487 3.284 10 0 EGAELP COC(=O)[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000513458729 312211196 /nfs/dbraw/zinc/21/11/96/312211196.db2.gz TZVBJLRKUBGNON-GQIGUUNPSA-N 2 2 344.499 3.206 10 0 EGAELP COC(=O)[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000513458729 312211197 /nfs/dbraw/zinc/21/11/97/312211197.db2.gz TZVBJLRKUBGNON-GQIGUUNPSA-N 2 2 344.499 3.206 10 0 EGAELP CCC[NH+](CCC)CCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000524412259 312658105 /nfs/dbraw/zinc/65/81/05/312658105.db2.gz WDRNLBQTQHSZTK-UHFFFAOYSA-N 2 2 327.476 3.193 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455582 313097269 /nfs/dbraw/zinc/09/72/69/313097269.db2.gz ICFIKHUHFYSKGN-IIBYNOLFSA-N 2 2 342.458 3.318 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455582 313097274 /nfs/dbraw/zinc/09/72/74/313097274.db2.gz ICFIKHUHFYSKGN-IIBYNOLFSA-N 2 2 342.458 3.318 10 0 EGAELP OC1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CCC(c2ccccc2)CC1 ZINC000530233737 313502655 /nfs/dbraw/zinc/50/26/55/313502655.db2.gz GZHUDXYYOFVYHJ-UHFFFAOYSA-N 2 2 339.483 3.398 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000551795757 315169714 /nfs/dbraw/zinc/16/97/14/315169714.db2.gz RCPOQILEJIBXCB-JDYRRTIPSA-N 2 2 346.515 3.276 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000551795757 315169717 /nfs/dbraw/zinc/16/97/17/315169717.db2.gz RCPOQILEJIBXCB-JDYRRTIPSA-N 2 2 346.515 3.276 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000574839025 317641788 /nfs/dbraw/zinc/64/17/88/317641788.db2.gz FSAFEGQNNRAFHR-CYBMUJFWSA-N 2 2 340.431 3.107 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000574871943 317645183 /nfs/dbraw/zinc/64/51/83/317645183.db2.gz IBCWLTNJLDFKPZ-MRXNPFEDSA-N 2 2 327.472 3.072 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000262041112 455988558 /nfs/dbraw/zinc/98/85/58/455988558.db2.gz YNKARMSVMZFFGE-BMFZPTHFSA-N 2 2 329.271 3.240 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350644562 324110560 /nfs/dbraw/zinc/11/05/60/324110560.db2.gz OLCHPGQNVYVEBY-HNNXBMFYSA-N 2 2 325.416 3.163 10 0 EGAELP CCC[N@H+]1CCC[C@H]1c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350644562 324110564 /nfs/dbraw/zinc/11/05/64/324110564.db2.gz OLCHPGQNVYVEBY-HNNXBMFYSA-N 2 2 325.416 3.163 10 0 EGAELP CC1=C[C@H](C)C[C@@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000579411779 325105059 /nfs/dbraw/zinc/10/50/59/325105059.db2.gz AEXPYVVUULMMFX-FUHWJXTLSA-N 2 2 342.531 3.438 10 0 EGAELP C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656322 455219723 /nfs/dbraw/zinc/21/97/23/455219723.db2.gz JEGOSSNBKXGUQA-UZLBHIALSA-N 2 2 348.450 3.352 10 0 EGAELP CC[C@@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057718 455219801 /nfs/dbraw/zinc/21/98/01/455219801.db2.gz VHJRZEFRJFPAIG-MOPGFXCFSA-N 2 2 332.536 3.496 10 0 EGAELP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057718 455219803 /nfs/dbraw/zinc/21/98/03/455219803.db2.gz VHJRZEFRJFPAIG-MOPGFXCFSA-N 2 2 332.536 3.496 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173380078 455276872 /nfs/dbraw/zinc/27/68/72/455276872.db2.gz QDMRNJSZUHNMGC-BBRMVZONSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173380078 455276876 /nfs/dbraw/zinc/27/68/76/455276876.db2.gz QDMRNJSZUHNMGC-BBRMVZONSA-N 2 2 341.293 3.211 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(I)cc1 ZINC000600707626 460574872 /nfs/dbraw/zinc/57/48/72/460574872.db2.gz CRASEEMLHBVUGA-SUNKGSAMSA-N 2 2 344.240 3.082 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886727 460589086 /nfs/dbraw/zinc/58/90/86/460589086.db2.gz LSBCKKMBIMLXOD-QZTJIDSGSA-N 2 2 340.471 3.434 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886727 460589089 /nfs/dbraw/zinc/58/90/89/460589089.db2.gz LSBCKKMBIMLXOD-QZTJIDSGSA-N 2 2 340.471 3.434 10 0 EGAELP [NH3+]C[C@H]1Cc2ccccc2N(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000631893504 460591107 /nfs/dbraw/zinc/59/11/07/460591107.db2.gz SSFMBZIZUNEKNR-GOSISDBHSA-N 2 2 332.451 3.069 10 0 EGAELP c1nn(-c2ccccc2)nc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000012922793 453424857 /nfs/dbraw/zinc/42/48/57/453424857.db2.gz DVEFQJIXEJBOCF-UHFFFAOYSA-N 2 2 347.466 3.153 10 0 EGAELP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612402203 460620676 /nfs/dbraw/zinc/62/06/76/460620676.db2.gz QZYBSCJCKYJKEP-CQSZACIVSA-N 2 2 347.484 3.345 10 0 EGAELP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612402203 460620681 /nfs/dbraw/zinc/62/06/81/460620681.db2.gz QZYBSCJCKYJKEP-CQSZACIVSA-N 2 2 347.484 3.345 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089591516 454164464 /nfs/dbraw/zinc/16/44/64/454164464.db2.gz FRLGLHDPDWVQSW-FXAWDEMLSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089591516 454164466 /nfs/dbraw/zinc/16/44/66/454164466.db2.gz FRLGLHDPDWVQSW-FXAWDEMLSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089591524 454164557 /nfs/dbraw/zinc/16/45/57/454164557.db2.gz FRLGLHDPDWVQSW-XLIONFOSSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089591524 454164558 /nfs/dbraw/zinc/16/45/58/454164558.db2.gz FRLGLHDPDWVQSW-XLIONFOSSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000246143745 455436066 /nfs/dbraw/zinc/43/60/66/455436066.db2.gz BKCMVFWNDZAFKZ-AYOQOUSVSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000246143745 455436072 /nfs/dbraw/zinc/43/60/72/455436072.db2.gz BKCMVFWNDZAFKZ-AYOQOUSVSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145286 455436107 /nfs/dbraw/zinc/43/61/07/455436107.db2.gz DVBCSQNWJBCQHA-CVEARBPZSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145286 455436112 /nfs/dbraw/zinc/43/61/12/455436112.db2.gz DVBCSQNWJBCQHA-CVEARBPZSA-N 2 2 326.444 3.215 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+]Cc2nccn2-c2ccccc2)ccc1F ZINC000191075129 455437493 /nfs/dbraw/zinc/43/74/93/455437493.db2.gz HUNIZOWBBOLTMG-UHFFFAOYSA-N 2 2 338.430 3.363 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091961195 454496349 /nfs/dbraw/zinc/49/63/49/454496349.db2.gz DRTNZHWPBMHOHL-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091961195 454496352 /nfs/dbraw/zinc/49/63/52/454496352.db2.gz DRTNZHWPBMHOHL-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202415 455447427 /nfs/dbraw/zinc/44/74/27/455447427.db2.gz LXPQTFVJRUZLLH-CXAGYDPISA-N 2 2 346.425 3.271 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202415 455447431 /nfs/dbraw/zinc/44/74/31/455447431.db2.gz LXPQTFVJRUZLLH-CXAGYDPISA-N 2 2 346.425 3.271 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202415 455447435 /nfs/dbraw/zinc/44/74/35/455447435.db2.gz LXPQTFVJRUZLLH-CXAGYDPISA-N 2 2 346.425 3.271 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202415 455447439 /nfs/dbraw/zinc/44/74/39/455447439.db2.gz LXPQTFVJRUZLLH-CXAGYDPISA-N 2 2 346.425 3.271 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092091324 454518844 /nfs/dbraw/zinc/51/88/44/454518844.db2.gz YCLGYPMLAUNDRR-GOSISDBHSA-N 2 2 333.520 3.219 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092091324 454518847 /nfs/dbraw/zinc/51/88/47/454518847.db2.gz YCLGYPMLAUNDRR-GOSISDBHSA-N 2 2 333.520 3.219 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000246236490 455454628 /nfs/dbraw/zinc/45/46/28/455454628.db2.gz HFLMHBFJWBTDRK-XJKSGUPXSA-N 2 2 329.835 3.267 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000246236490 455454633 /nfs/dbraw/zinc/45/46/33/455454633.db2.gz HFLMHBFJWBTDRK-XJKSGUPXSA-N 2 2 329.835 3.267 10 0 EGAELP COCCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812500 454637615 /nfs/dbraw/zinc/63/76/15/454637615.db2.gz RKTZOVLPJVIQGR-GOSISDBHSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812500 454637618 /nfs/dbraw/zinc/63/76/18/454637618.db2.gz RKTZOVLPJVIQGR-GOSISDBHSA-N 2 2 341.455 3.041 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000105897591 454666161 /nfs/dbraw/zinc/66/61/61/454666161.db2.gz VBACHZJVOQYSCM-PBHICJAKSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000105897591 454666164 /nfs/dbraw/zinc/66/61/64/454666164.db2.gz VBACHZJVOQYSCM-PBHICJAKSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000105896219 454667577 /nfs/dbraw/zinc/66/75/77/454667577.db2.gz BBKVGGMPTXNMEI-INIZCTEOSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000105896219 454667579 /nfs/dbraw/zinc/66/75/79/454667579.db2.gz BBKVGGMPTXNMEI-INIZCTEOSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000105904122 454668188 /nfs/dbraw/zinc/66/81/88/454668188.db2.gz FKWQEMCXLSHILT-QGZVFWFLSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000105904122 454668195 /nfs/dbraw/zinc/66/81/95/454668195.db2.gz FKWQEMCXLSHILT-QGZVFWFLSA-N 2 2 344.434 3.250 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000093146794 454688384 /nfs/dbraw/zinc/68/83/84/454688384.db2.gz BZMBOXYMGAXYQO-SFHVURJKSA-N 2 2 345.462 3.174 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000093146794 454688385 /nfs/dbraw/zinc/68/83/85/454688385.db2.gz BZMBOXYMGAXYQO-SFHVURJKSA-N 2 2 345.462 3.174 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000154396064 454892769 /nfs/dbraw/zinc/89/27/69/454892769.db2.gz AAVDIFNFYMEYPI-IBGZPJMESA-N 2 2 331.435 3.493 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000154396064 454892772 /nfs/dbraw/zinc/89/27/72/454892772.db2.gz AAVDIFNFYMEYPI-IBGZPJMESA-N 2 2 331.435 3.493 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000154531136 454904571 /nfs/dbraw/zinc/90/45/71/454904571.db2.gz SXCHBOKCCVRQBJ-XHDPSFHLSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000154531136 454904574 /nfs/dbraw/zinc/90/45/74/454904574.db2.gz SXCHBOKCCVRQBJ-XHDPSFHLSA-N 2 2 327.241 3.259 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246430010 455489021 /nfs/dbraw/zinc/48/90/21/455489021.db2.gz MXVRMMZJABNPKU-DZGCQCFKSA-N 2 2 335.883 3.477 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246430010 455489026 /nfs/dbraw/zinc/48/90/26/455489026.db2.gz MXVRMMZJABNPKU-DZGCQCFKSA-N 2 2 335.883 3.477 10 0 EGAELP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000246473589 455496176 /nfs/dbraw/zinc/49/61/76/455496176.db2.gz KQUCUBRFWIXSPG-FZKQIMNGSA-N 2 2 331.847 3.045 10 0 EGAELP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151300505 454965744 /nfs/dbraw/zinc/96/57/44/454965744.db2.gz LBCDBQZEUGRVKN-MJGOQNOKSA-N 2 2 334.504 3.219 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(F)c1 ZINC000151483163 454990876 /nfs/dbraw/zinc/99/08/76/454990876.db2.gz HFPODGIOMKGNCJ-ZDUSSCGKSA-N 2 2 326.375 3.266 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180121864 455135036 /nfs/dbraw/zinc/13/50/36/455135036.db2.gz AVEPBAJUDBBVEO-HXUWFJFHSA-N 2 2 335.455 3.350 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180121864 455135038 /nfs/dbraw/zinc/13/50/38/455135038.db2.gz AVEPBAJUDBBVEO-HXUWFJFHSA-N 2 2 335.455 3.350 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1O ZINC000180144598 455138990 /nfs/dbraw/zinc/13/89/90/455138990.db2.gz UREKOMZNISZCKE-GOSISDBHSA-N 2 2 326.440 3.155 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1O ZINC000180144598 455138993 /nfs/dbraw/zinc/13/89/93/455138993.db2.gz UREKOMZNISZCKE-GOSISDBHSA-N 2 2 326.440 3.155 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000157287081 455180343 /nfs/dbraw/zinc/18/03/43/455180343.db2.gz REGPDXTZFDMKGD-GOSISDBHSA-N 2 2 340.471 3.495 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000157287081 455180344 /nfs/dbraw/zinc/18/03/44/455180344.db2.gz REGPDXTZFDMKGD-GOSISDBHSA-N 2 2 340.471 3.495 10 0 EGAELP C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530902 455303362 /nfs/dbraw/zinc/30/33/62/455303362.db2.gz RLJIPYGNQJBSJW-IAGOWNOFSA-N 2 2 349.563 3.124 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190464813 455323994 /nfs/dbraw/zinc/32/39/94/455323994.db2.gz YXPQRSAYVOOXBP-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190464813 455323996 /nfs/dbraw/zinc/32/39/96/455323996.db2.gz YXPQRSAYVOOXBP-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000190464813 455323997 /nfs/dbraw/zinc/32/39/97/455323997.db2.gz YXPQRSAYVOOXBP-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190464813 455323998 /nfs/dbraw/zinc/32/39/98/455323998.db2.gz YXPQRSAYVOOXBP-KRWDZBQOSA-N 2 2 345.512 3.414 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701811 455359716 /nfs/dbraw/zinc/35/97/16/455359716.db2.gz WUDGACULFFEQFS-HOCLYGCPSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701811 455359720 /nfs/dbraw/zinc/35/97/20/455359720.db2.gz WUDGACULFFEQFS-HOCLYGCPSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701811 455359726 /nfs/dbraw/zinc/35/97/26/455359726.db2.gz WUDGACULFFEQFS-HOCLYGCPSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701811 455359732 /nfs/dbraw/zinc/35/97/32/455359732.db2.gz WUDGACULFFEQFS-HOCLYGCPSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727368 455365874 /nfs/dbraw/zinc/36/58/74/455365874.db2.gz IZBOLHZBUFDNTI-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727368 455365877 /nfs/dbraw/zinc/36/58/77/455365877.db2.gz IZBOLHZBUFDNTI-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727368 455365879 /nfs/dbraw/zinc/36/58/79/455365879.db2.gz IZBOLHZBUFDNTI-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000245727368 455365882 /nfs/dbraw/zinc/36/58/82/455365882.db2.gz IZBOLHZBUFDNTI-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP COC(=O)c1cc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2o1 ZINC000266804952 455455032 /nfs/dbraw/zinc/45/50/32/455455032.db2.gz ZPPZHFHFDTVYLN-UHFFFAOYSA-N 2 2 339.395 3.322 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000246877672 455532545 /nfs/dbraw/zinc/53/25/45/455532545.db2.gz CXJMTFKPQMPZLJ-BZUAXINKSA-N 2 2 347.528 3.489 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000246877672 455532550 /nfs/dbraw/zinc/53/25/50/455532550.db2.gz CXJMTFKPQMPZLJ-BZUAXINKSA-N 2 2 347.528 3.489 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000192187792 455570730 /nfs/dbraw/zinc/57/07/30/455570730.db2.gz QZGKCGHJLCZHJO-UHFFFAOYSA-N 2 2 347.466 3.288 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000192187792 455570733 /nfs/dbraw/zinc/57/07/33/455570733.db2.gz QZGKCGHJLCZHJO-UHFFFAOYSA-N 2 2 347.466 3.288 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334757 455589444 /nfs/dbraw/zinc/58/94/44/455589444.db2.gz ZCCQMJRYIPLTQM-LRDDRELGSA-N 2 2 337.533 3.274 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334757 455589446 /nfs/dbraw/zinc/58/94/46/455589446.db2.gz ZCCQMJRYIPLTQM-LRDDRELGSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334757 455589449 /nfs/dbraw/zinc/58/94/49/455589449.db2.gz ZCCQMJRYIPLTQM-LRDDRELGSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334757 455589452 /nfs/dbraw/zinc/58/94/52/455589452.db2.gz ZCCQMJRYIPLTQM-LRDDRELGSA-N 2 2 337.533 3.274 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247388416 455594380 /nfs/dbraw/zinc/59/43/80/455594380.db2.gz WTZNPIIOWAYAAE-DLBZAZTESA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247388416 455594381 /nfs/dbraw/zinc/59/43/81/455594381.db2.gz WTZNPIIOWAYAAE-DLBZAZTESA-N 2 2 333.863 3.469 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247441193 455601005 /nfs/dbraw/zinc/60/10/05/455601005.db2.gz WVWKAMLDAWESDG-AEFFLSMTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247441193 455601006 /nfs/dbraw/zinc/60/10/06/455601006.db2.gz WVWKAMLDAWESDG-AEFFLSMTSA-N 2 2 326.444 3.022 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247770849 455643670 /nfs/dbraw/zinc/64/36/70/455643670.db2.gz WBTTUKWFKWVNCH-CZUORRHYSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247770849 455643676 /nfs/dbraw/zinc/64/36/76/455643676.db2.gz WBTTUKWFKWVNCH-CZUORRHYSA-N 2 2 341.390 3.155 10 0 EGAELP Fc1c(Br)ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1F ZINC000623702238 460683664 /nfs/dbraw/zinc/68/36/64/460683664.db2.gz KNDQRNIWXYHYQZ-UHFFFAOYSA-N 2 2 342.187 3.160 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284292796 455663797 /nfs/dbraw/zinc/66/37/97/455663797.db2.gz OAULBXNIBJAPTL-GHTZIAJQSA-N 2 2 334.467 3.151 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284292796 455663802 /nfs/dbraw/zinc/66/38/02/455663802.db2.gz OAULBXNIBJAPTL-GHTZIAJQSA-N 2 2 334.467 3.151 10 0 EGAELP CCO[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCOCC2 ZINC000186280322 455733392 /nfs/dbraw/zinc/73/33/92/455733392.db2.gz KMOWCZVQMBAGLR-ROUUACIJSA-N 2 2 343.471 3.059 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCOCC2 ZINC000186280305 455733926 /nfs/dbraw/zinc/73/39/26/455733926.db2.gz KMOWCZVQMBAGLR-ZWKOTPCHSA-N 2 2 343.471 3.059 10 0 EGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000284817942 455747550 /nfs/dbraw/zinc/74/75/50/455747550.db2.gz AJEVLSUKASSQCV-JKSUJKDBSA-N 2 2 332.410 3.046 10 0 EGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000284817942 455747555 /nfs/dbraw/zinc/74/75/55/455747555.db2.gz AJEVLSUKASSQCV-JKSUJKDBSA-N 2 2 332.410 3.046 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000252696159 455829074 /nfs/dbraw/zinc/82/90/74/455829074.db2.gz MYPXKOLKLMRJMX-SXLOBPIMSA-N 2 2 333.520 3.069 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000252696159 455829080 /nfs/dbraw/zinc/82/90/80/455829080.db2.gz MYPXKOLKLMRJMX-SXLOBPIMSA-N 2 2 333.520 3.069 10 0 EGAELP Cc1cn2cc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000606569841 460698155 /nfs/dbraw/zinc/69/81/55/460698155.db2.gz BCPJJBZMAKBNSS-AWEZNQCLSA-N 2 2 343.475 3.275 10 0 EGAELP Cc1cn2cc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000606569841 460698162 /nfs/dbraw/zinc/69/81/62/460698162.db2.gz BCPJJBZMAKBNSS-AWEZNQCLSA-N 2 2 343.475 3.275 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231830 455922881 /nfs/dbraw/zinc/92/28/81/455922881.db2.gz KIIAPBHQGGDTOM-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231830 455922886 /nfs/dbraw/zinc/92/28/86/455922886.db2.gz KIIAPBHQGGDTOM-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231830 455922892 /nfs/dbraw/zinc/92/28/92/455922892.db2.gz KIIAPBHQGGDTOM-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231830 455922893 /nfs/dbraw/zinc/92/28/93/455922893.db2.gz KIIAPBHQGGDTOM-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606581894 460701801 /nfs/dbraw/zinc/70/18/01/460701801.db2.gz VDTISLALPYAKPZ-SFHVURJKSA-N 2 2 349.438 3.293 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000617007058 460704184 /nfs/dbraw/zinc/70/41/84/460704184.db2.gz KVJFPQUUONEUHW-OAHLLOKOSA-N 2 2 339.439 3.477 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000617007058 460704187 /nfs/dbraw/zinc/70/41/87/460704187.db2.gz KVJFPQUUONEUHW-OAHLLOKOSA-N 2 2 339.439 3.477 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000195515844 455975068 /nfs/dbraw/zinc/97/50/68/455975068.db2.gz NTSKVSZZWRJRPV-CQSZACIVSA-N 2 2 343.402 3.021 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000195515844 455975073 /nfs/dbraw/zinc/97/50/73/455975073.db2.gz NTSKVSZZWRJRPV-CQSZACIVSA-N 2 2 343.402 3.021 10 0 EGAELP CCCCc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516337 455977081 /nfs/dbraw/zinc/97/70/81/455977081.db2.gz ZETYWFVIQILXNH-OAHLLOKOSA-N 2 2 329.448 3.050 10 0 EGAELP CCCCc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516337 455977085 /nfs/dbraw/zinc/97/70/85/455977085.db2.gz ZETYWFVIQILXNH-OAHLLOKOSA-N 2 2 329.448 3.050 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000273218635 456218979 /nfs/dbraw/zinc/21/89/79/456218979.db2.gz NHNXIYUFZFZXKY-OAHLLOKOSA-N 2 2 329.448 3.029 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CCO1 ZINC000275641851 456278038 /nfs/dbraw/zinc/27/80/38/456278038.db2.gz SZMYXIYLLGARAI-WFASDCNBSA-N 2 2 334.489 3.184 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000297777358 456292582 /nfs/dbraw/zinc/29/25/82/456292582.db2.gz MNDYGRSAZXHNJG-CQSZACIVSA-N 2 2 330.501 3.178 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000297777358 456292590 /nfs/dbraw/zinc/29/25/90/456292590.db2.gz MNDYGRSAZXHNJG-CQSZACIVSA-N 2 2 330.501 3.178 10 0 EGAELP COCc1cc(NCCCC[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000290440465 456329210 /nfs/dbraw/zinc/32/92/10/456329210.db2.gz BXIRHXPWVPPCAW-UHFFFAOYSA-N 2 2 347.434 3.045 10 0 EGAELP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H]1C ZINC000353087411 456481173 /nfs/dbraw/zinc/48/11/73/456481173.db2.gz KRBDPNNVGGHWPA-RVXMVIEFSA-N 2 2 349.563 3.120 10 0 EGAELP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H]1C ZINC000353087411 456481178 /nfs/dbraw/zinc/48/11/78/456481178.db2.gz KRBDPNNVGGHWPA-RVXMVIEFSA-N 2 2 349.563 3.120 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)nc1 ZINC000343561101 456707127 /nfs/dbraw/zinc/70/71/27/456707127.db2.gz IANVYQXXTJPJJB-UHFFFAOYSA-N 2 2 332.451 3.384 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000343632413 456759225 /nfs/dbraw/zinc/75/92/25/456759225.db2.gz AJYXWQNXAMYJMP-UHFFFAOYSA-N 2 2 333.439 3.102 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353631276 456815559 /nfs/dbraw/zinc/81/55/59/456815559.db2.gz KSHKJYNFJWEKSJ-UMSONDCASA-N 3 2 342.531 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353631276 456815563 /nfs/dbraw/zinc/81/55/63/456815563.db2.gz KSHKJYNFJWEKSJ-UMSONDCASA-N 3 2 342.531 3.069 10 0 EGAELP c1csc(N2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000341510725 456870890 /nfs/dbraw/zinc/87/08/90/456870890.db2.gz JUKGCBHLADXICC-UHFFFAOYSA-N 2 2 345.497 3.149 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353797580 456910851 /nfs/dbraw/zinc/91/08/51/456910851.db2.gz RPJXABWIGJPVHU-HNNXBMFYSA-N 2 2 328.485 3.123 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353797580 456910855 /nfs/dbraw/zinc/91/08/55/456910855.db2.gz RPJXABWIGJPVHU-HNNXBMFYSA-N 2 2 328.485 3.123 10 0 EGAELP CCc1nocc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000339376552 457076910 /nfs/dbraw/zinc/07/69/10/457076910.db2.gz KEHYTEGFVVNCCX-UHFFFAOYSA-N 2 2 331.382 3.132 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCCO2 ZINC000359520579 457091634 /nfs/dbraw/zinc/09/16/34/457091634.db2.gz YKMJKCZGVKXUBA-IEBWSBKVSA-N 2 2 332.488 3.155 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)CCCO2 ZINC000359520579 457091641 /nfs/dbraw/zinc/09/16/41/457091641.db2.gz YKMJKCZGVKXUBA-IEBWSBKVSA-N 2 2 332.488 3.155 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433229 457114363 /nfs/dbraw/zinc/11/43/63/457114363.db2.gz CTKOEFFNTVWYMD-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433229 457114365 /nfs/dbraw/zinc/11/43/65/457114365.db2.gz CTKOEFFNTVWYMD-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433229 457114368 /nfs/dbraw/zinc/11/43/68/457114368.db2.gz CTKOEFFNTVWYMD-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433229 457114371 /nfs/dbraw/zinc/11/43/71/457114371.db2.gz CTKOEFFNTVWYMD-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP CC[N@H+](CCCCCO)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000362895857 457145479 /nfs/dbraw/zinc/14/54/79/457145479.db2.gz DSCOYYPPEBGVMG-UHFFFAOYSA-N 2 2 348.535 3.362 10 0 EGAELP CC[N@@H+](CCCCCO)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000362895857 457145482 /nfs/dbraw/zinc/14/54/82/457145482.db2.gz DSCOYYPPEBGVMG-UHFFFAOYSA-N 2 2 348.535 3.362 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360020339 457207440 /nfs/dbraw/zinc/20/74/40/457207440.db2.gz LJMXNQUAWRUOSV-HOTGVXAUSA-N 2 2 340.471 3.163 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000360020339 457207443 /nfs/dbraw/zinc/20/74/43/457207443.db2.gz LJMXNQUAWRUOSV-HOTGVXAUSA-N 2 2 340.471 3.163 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044508 457494983 /nfs/dbraw/zinc/49/49/83/457494983.db2.gz AWYZSGDUXFAQAM-YFVAEKQCSA-N 2 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044508 457494988 /nfs/dbraw/zinc/49/49/88/457494988.db2.gz AWYZSGDUXFAQAM-YFVAEKQCSA-N 2 2 327.516 3.256 10 0 EGAELP CCc1ccc(C[NH+]2CCN(Cc3cccc4[nH+]ccn43)CC2)s1 ZINC000342753465 457499630 /nfs/dbraw/zinc/49/96/30/457499630.db2.gz NNFIEGFBTJBNCF-UHFFFAOYSA-N 2 2 340.496 3.276 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000374198037 457519606 /nfs/dbraw/zinc/51/96/06/457519606.db2.gz GEJHDRYXYJGQAN-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000401148738 457524438 /nfs/dbraw/zinc/52/44/38/457524438.db2.gz OZGDXRJMZOAJLO-PLACYPQZSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000401148738 457524446 /nfs/dbraw/zinc/52/44/46/457524446.db2.gz OZGDXRJMZOAJLO-PLACYPQZSA-N 3 2 327.516 3.019 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787732 457529275 /nfs/dbraw/zinc/52/92/75/457529275.db2.gz VMWDJNWXEKURIW-LJQANCHMSA-N 2 2 341.434 3.224 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)c[nH+]1 ZINC000361054483 457547836 /nfs/dbraw/zinc/54/78/36/457547836.db2.gz BYRZIXUSUDJZQM-UHFFFAOYSA-N 2 2 345.393 3.486 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000352740186 457573217 /nfs/dbraw/zinc/57/32/17/457573217.db2.gz VDZWDIMJEIEKGI-CRAIPNDOSA-N 2 2 331.485 3.072 10 0 EGAELP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000361104552 457582691 /nfs/dbraw/zinc/58/26/91/457582691.db2.gz FNASWHOXQVDBAE-AWEZNQCLSA-N 2 2 331.485 3.135 10 0 EGAELP Cc1noc(C2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)n1 ZINC000374514459 457646180 /nfs/dbraw/zinc/64/61/80/457646180.db2.gz OVADPYSXWXPIQL-UHFFFAOYSA-N 2 2 341.459 3.058 10 0 EGAELP COC(=O)[C@@H]1CCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361297123 457683628 /nfs/dbraw/zinc/68/36/28/457683628.db2.gz QLJFHXJKVNGOJX-SFHVURJKSA-N 2 2 329.444 3.152 10 0 EGAELP COC(=O)[C@@H]1CCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361297123 457683632 /nfs/dbraw/zinc/68/36/32/457683632.db2.gz QLJFHXJKVNGOJX-SFHVURJKSA-N 2 2 329.444 3.152 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CCc1cnccn1 ZINC000361345050 457700202 /nfs/dbraw/zinc/70/02/02/457700202.db2.gz CNMGFPDDPRDQRG-UHFFFAOYSA-N 2 2 337.471 3.480 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CCc1cnccn1 ZINC000361345050 457700206 /nfs/dbraw/zinc/70/02/06/457700206.db2.gz CNMGFPDDPRDQRG-UHFFFAOYSA-N 2 2 337.471 3.480 10 0 EGAELP COCC[C@@H]1COCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361522669 457768533 /nfs/dbraw/zinc/76/85/33/457768533.db2.gz QUUPFURUXDVFIG-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP COCC[C@@H]1COCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361522669 457768535 /nfs/dbraw/zinc/76/85/35/457768535.db2.gz QUUPFURUXDVFIG-GOSISDBHSA-N 2 2 345.487 3.252 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000371312000 457860224 /nfs/dbraw/zinc/86/02/24/457860224.db2.gz BGSOEOPAUOWUMP-HNNXBMFYSA-N 2 2 349.438 3.497 10 0 EGAELP CC1=CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877291 /nfs/dbraw/zinc/87/72/91/457877291.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 2 2 327.516 3.281 10 0 EGAELP CC1=CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877300 /nfs/dbraw/zinc/87/73/00/457877300.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 2 2 327.516 3.281 10 0 EGAELP C[C@@H](O)CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000411506789 457905381 /nfs/dbraw/zinc/90/53/81/457905381.db2.gz HZCKJPCUNMNQHH-DYVFJYSZSA-N 2 2 326.431 3.241 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000368100852 458009870 /nfs/dbraw/zinc/00/98/70/458009870.db2.gz INYJAUYWGOLNHU-FZMZJTMJSA-N 2 2 337.345 3.443 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000368100852 458009876 /nfs/dbraw/zinc/00/98/76/458009876.db2.gz INYJAUYWGOLNHU-FZMZJTMJSA-N 2 2 337.345 3.443 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103468 458010088 /nfs/dbraw/zinc/01/00/88/458010088.db2.gz VXTZWWUMKQIMDS-HUUCEWRRSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103468 458010091 /nfs/dbraw/zinc/01/00/91/458010091.db2.gz VXTZWWUMKQIMDS-HUUCEWRRSA-N 2 2 340.471 3.397 10 0 EGAELP COc1cc(C)[nH+]c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000435035281 458080873 /nfs/dbraw/zinc/08/08/73/458080873.db2.gz PYYKHPXKRXMIOC-SFHVURJKSA-N 2 2 327.428 3.396 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2O1 ZINC000376030531 458170620 /nfs/dbraw/zinc/17/06/20/458170620.db2.gz SKCBHJBDXAQOQE-UHFFFAOYSA-N 2 2 330.472 3.438 10 0 EGAELP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959739 458241637 /nfs/dbraw/zinc/24/16/37/458241637.db2.gz GVCVPNYXCWFADB-JKSUJKDBSA-N 2 2 325.460 3.258 10 0 EGAELP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959739 458241642 /nfs/dbraw/zinc/24/16/42/458241642.db2.gz GVCVPNYXCWFADB-JKSUJKDBSA-N 2 2 325.460 3.258 10 0 EGAELP CCOc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1F ZINC000376467632 458310033 /nfs/dbraw/zinc/31/00/33/458310033.db2.gz GLNMRSPWMHOLCJ-UHFFFAOYSA-N 2 2 326.375 3.095 10 0 EGAELP COCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000459430706 458368676 /nfs/dbraw/zinc/36/86/76/458368676.db2.gz JIIFNBJTONJCDI-CYBMUJFWSA-N 2 2 326.400 3.166 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814367 458374399 /nfs/dbraw/zinc/37/43/99/458374399.db2.gz ZORHJIUYXZZIPO-CBJHCWRLSA-N 2 2 349.563 3.218 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814367 458374405 /nfs/dbraw/zinc/37/44/05/458374405.db2.gz ZORHJIUYXZZIPO-CBJHCWRLSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814367 458374410 /nfs/dbraw/zinc/37/44/10/458374410.db2.gz ZORHJIUYXZZIPO-CBJHCWRLSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814367 458374416 /nfs/dbraw/zinc/37/44/16/458374416.db2.gz ZORHJIUYXZZIPO-CBJHCWRLSA-N 2 2 349.563 3.218 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)n2c1CCCC2 ZINC000459524158 458399578 /nfs/dbraw/zinc/39/95/78/458399578.db2.gz HOBAHOTURGELLY-KRWDZBQOSA-N 2 2 337.471 3.266 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)n2c1CCCC2 ZINC000459524158 458399580 /nfs/dbraw/zinc/39/95/80/458399580.db2.gz HOBAHOTURGELLY-KRWDZBQOSA-N 2 2 337.471 3.266 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000430226381 458424093 /nfs/dbraw/zinc/42/40/93/458424093.db2.gz ORIJVISTPJXGNK-NVXWUHKLSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000430226381 458424097 /nfs/dbraw/zinc/42/40/97/458424097.db2.gz ORIJVISTPJXGNK-NVXWUHKLSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000430226381 458424100 /nfs/dbraw/zinc/42/41/00/458424100.db2.gz ORIJVISTPJXGNK-NVXWUHKLSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000430226381 458424103 /nfs/dbraw/zinc/42/41/03/458424103.db2.gz ORIJVISTPJXGNK-NVXWUHKLSA-N 2 2 340.471 3.067 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H](C)O1 ZINC000373483190 458506162 /nfs/dbraw/zinc/50/61/62/458506162.db2.gz ITQLWVXAXYHZRL-VQRRFBQZSA-N 2 2 334.426 3.337 10 0 EGAELP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377769547 458519938 /nfs/dbraw/zinc/51/99/38/458519938.db2.gz AODHESXVWDCAIB-LLVKDONJSA-N 2 2 326.227 3.372 10 0 EGAELP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377769547 458519941 /nfs/dbraw/zinc/51/99/41/458519941.db2.gz AODHESXVWDCAIB-LLVKDONJSA-N 2 2 326.227 3.372 10 0 EGAELP Clc1ccc(CN2CCC([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000377797936 458532925 /nfs/dbraw/zinc/53/29/25/458532925.db2.gz BIVZNHAZURSXII-KRWDZBQOSA-N 2 2 344.890 3.175 10 0 EGAELP COC(=O)CC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000424306438 458610698 /nfs/dbraw/zinc/61/06/98/458610698.db2.gz VHXJRPJQTHDNGZ-FAFZWHIHSA-N 2 2 341.455 3.173 10 0 EGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574002 458636999 /nfs/dbraw/zinc/63/69/99/458636999.db2.gz VVQPXQRTZZNLJV-PZJWPPBQSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574002 458637004 /nfs/dbraw/zinc/63/70/04/458637004.db2.gz VVQPXQRTZZNLJV-PZJWPPBQSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574002 458637008 /nfs/dbraw/zinc/63/70/08/458637008.db2.gz VVQPXQRTZZNLJV-PZJWPPBQSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000546574002 458637012 /nfs/dbraw/zinc/63/70/12/458637012.db2.gz VVQPXQRTZZNLJV-PZJWPPBQSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546573999 458637135 /nfs/dbraw/zinc/63/71/35/458637135.db2.gz VVQPXQRTZZNLJV-CTNGQTDRSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546573999 458637139 /nfs/dbraw/zinc/63/71/39/458637139.db2.gz VVQPXQRTZZNLJV-CTNGQTDRSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546573999 458637143 /nfs/dbraw/zinc/63/71/43/458637143.db2.gz VVQPXQRTZZNLJV-CTNGQTDRSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546573999 458637146 /nfs/dbraw/zinc/63/71/46/458637146.db2.gz VVQPXQRTZZNLJV-CTNGQTDRSA-N 2 2 327.516 3.139 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000546623044 458645645 /nfs/dbraw/zinc/64/56/45/458645645.db2.gz AXLKOXKSSBERBN-KRWDZBQOSA-N 2 2 332.488 3.106 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030343 458664454 /nfs/dbraw/zinc/66/44/54/458664454.db2.gz SVXSXQXQPNXXLS-QZTJIDSGSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030343 458664468 /nfs/dbraw/zinc/66/44/68/458664468.db2.gz SVXSXQXQPNXXLS-QZTJIDSGSA-N 2 2 349.906 3.076 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000471246582 458688434 /nfs/dbraw/zinc/68/84/34/458688434.db2.gz ZNRJCFPXPZNRLW-UWVAXJGDSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000471246582 458688442 /nfs/dbraw/zinc/68/84/42/458688442.db2.gz ZNRJCFPXPZNRLW-UWVAXJGDSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471246582 458688450 /nfs/dbraw/zinc/68/84/50/458688450.db2.gz ZNRJCFPXPZNRLW-UWVAXJGDSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471246582 458688457 /nfs/dbraw/zinc/68/84/57/458688457.db2.gz ZNRJCFPXPZNRLW-UWVAXJGDSA-N 2 2 345.531 3.088 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530242896 458729319 /nfs/dbraw/zinc/72/93/19/458729319.db2.gz PTXVLUHXYOKXFC-QGZVFWFLSA-N 2 2 334.508 3.355 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000432840083 458798160 /nfs/dbraw/zinc/79/81/60/458798160.db2.gz PTXHKGGUFLAUAV-CYBMUJFWSA-N 2 2 338.459 3.447 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271362 458872551 /nfs/dbraw/zinc/87/25/51/458872551.db2.gz XQODDAASYAXXPZ-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271362 458872557 /nfs/dbraw/zinc/87/25/57/458872557.db2.gz XQODDAASYAXXPZ-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271362 458872561 /nfs/dbraw/zinc/87/25/61/458872561.db2.gz XQODDAASYAXXPZ-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)[C@@H](C)C1 ZINC000474271362 458872566 /nfs/dbraw/zinc/87/25/66/458872566.db2.gz XQODDAASYAXXPZ-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP C[C@@H](O)C[N@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441256332 458906583 /nfs/dbraw/zinc/90/65/83/458906583.db2.gz GMNZGTFZKYFLBA-HZPDHXFCSA-N 2 2 335.879 3.241 10 0 EGAELP C[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441256332 458906586 /nfs/dbraw/zinc/90/65/86/458906586.db2.gz GMNZGTFZKYFLBA-HZPDHXFCSA-N 2 2 335.879 3.241 10 0 EGAELP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000474938853 458908995 /nfs/dbraw/zinc/90/89/95/458908995.db2.gz AEOJPFJTPUUOTP-DLBZAZTESA-N 2 2 332.488 3.437 10 0 EGAELP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000474938853 458908998 /nfs/dbraw/zinc/90/89/98/458908998.db2.gz AEOJPFJTPUUOTP-DLBZAZTESA-N 2 2 332.488 3.437 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cn2ccccc2n1 ZINC000556234686 458940445 /nfs/dbraw/zinc/94/04/45/458940445.db2.gz XEOBPGBCIZKWTM-AWEZNQCLSA-N 2 2 326.419 3.386 10 0 EGAELP CC[C@H]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476118063 458980336 /nfs/dbraw/zinc/98/03/36/458980336.db2.gz AMVIJFCRXQCAEZ-OALUTQOASA-N 2 2 349.563 3.269 10 0 EGAELP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000566803913 459004208 /nfs/dbraw/zinc/00/42/08/459004208.db2.gz SSKMXEKTQFCTJX-IYARVYRRSA-N 2 2 344.503 3.041 10 0 EGAELP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000556958221 459037992 /nfs/dbraw/zinc/03/79/92/459037992.db2.gz HMGGDEGEXGFMMV-HNNXBMFYSA-N 2 2 340.427 3.385 10 0 EGAELP C[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1[nH]cc[nH+]1 ZINC000557048036 459044962 /nfs/dbraw/zinc/04/49/62/459044962.db2.gz HPYJAMBAUPKJAW-QGZVFWFLSA-N 2 2 348.450 3.289 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226844 459049482 /nfs/dbraw/zinc/04/94/82/459049482.db2.gz XGTMCIWFOSBULX-LZQZEXGQSA-N 2 2 335.923 3.234 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000532226844 459049486 /nfs/dbraw/zinc/04/94/86/459049486.db2.gz XGTMCIWFOSBULX-LZQZEXGQSA-N 2 2 335.923 3.234 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(OC(F)F)c1 ZINC000532246487 459053551 /nfs/dbraw/zinc/05/35/51/459053551.db2.gz PDWPATSFVCVUHK-DOMZBBRYSA-N 2 2 328.403 3.117 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(OC(F)F)c1 ZINC000532246487 459053556 /nfs/dbraw/zinc/05/35/56/459053556.db2.gz PDWPATSFVCVUHK-DOMZBBRYSA-N 2 2 328.403 3.117 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476296 459095195 /nfs/dbraw/zinc/09/51/95/459095195.db2.gz STUVFPQKNSTSKH-KXBFYZLASA-N 2 2 329.488 3.245 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476296 459095201 /nfs/dbraw/zinc/09/52/01/459095201.db2.gz STUVFPQKNSTSKH-KXBFYZLASA-N 2 2 329.488 3.245 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000595014845 459215953 /nfs/dbraw/zinc/21/59/53/459215953.db2.gz UQRNLPBKFDGIHS-INIZCTEOSA-N 2 2 347.503 3.004 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000595015842 459216285 /nfs/dbraw/zinc/21/62/85/459216285.db2.gz HVDMZCNIQZOGPV-AWEZNQCLSA-N 2 2 347.434 3.469 10 0 EGAELP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[NH+]3CCC3)cc2c1 ZINC000568413769 459284538 /nfs/dbraw/zinc/28/45/38/459284538.db2.gz QBKDEWVXPVRIKA-UHFFFAOYSA-N 2 2 338.499 3.411 10 0 EGAELP Cn1c2ccc(NC(=O)c3ccccc3CC[NH3+])cc2[nH+]c1C1CC1 ZINC000569587329 459476758 /nfs/dbraw/zinc/47/67/58/459476758.db2.gz HMEULDJROVSNDF-UHFFFAOYSA-N 2 2 334.423 3.204 10 0 EGAELP Cc1cc(NC(=O)N(C)CCC[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000541762020 459487758 /nfs/dbraw/zinc/48/77/58/459487758.db2.gz LNXXBKFBGMSTHP-INIZCTEOSA-N 2 2 347.507 3.184 10 0 EGAELP CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000592204629 459549594 /nfs/dbraw/zinc/54/95/94/459549594.db2.gz UUJNZFMFJDSRLM-ZDUSSCGKSA-N 2 2 332.473 3.089 10 0 EGAELP CC[N@@H+](CCSC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000592204629 459549596 /nfs/dbraw/zinc/54/95/96/459549596.db2.gz UUJNZFMFJDSRLM-ZDUSSCGKSA-N 2 2 332.473 3.089 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000562751438 459640643 /nfs/dbraw/zinc/64/06/43/459640643.db2.gz XZJJWOOLGFUHOS-YJBOKZPZSA-N 2 2 339.487 3.290 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619191 459672764 /nfs/dbraw/zinc/67/27/64/459672764.db2.gz MWVQLHMDWVIBSU-UHFFFAOYSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619191 459672771 /nfs/dbraw/zinc/67/27/71/459672771.db2.gz MWVQLHMDWVIBSU-UHFFFAOYSA-N 2 2 348.454 3.047 10 0 EGAELP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)cc1OC ZINC000527642175 459681822 /nfs/dbraw/zinc/68/18/22/459681822.db2.gz SKLYXQGVCWVCIC-UHFFFAOYSA-N 2 2 336.451 3.197 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000543755061 459696473 /nfs/dbraw/zinc/69/64/73/459696473.db2.gz VHULRFQXEVTRES-KZNAEPCWSA-N 2 2 342.512 3.237 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000543755061 459696478 /nfs/dbraw/zinc/69/64/78/459696478.db2.gz VHULRFQXEVTRES-KZNAEPCWSA-N 2 2 342.512 3.237 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)C[NH+]1CCCC1 ZINC000527846014 459757018 /nfs/dbraw/zinc/75/70/18/459757018.db2.gz DOUJYPYWTVCMCH-IRXDYDNUSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527979542 459786531 /nfs/dbraw/zinc/78/65/31/459786531.db2.gz KEZFHCJUALHOBS-GXSJLCMTSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000527979542 459786538 /nfs/dbraw/zinc/78/65/38/459786538.db2.gz KEZFHCJUALHOBS-GXSJLCMTSA-N 2 2 333.220 3.300 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006886 459794519 /nfs/dbraw/zinc/79/45/19/459794519.db2.gz AHVAMGKHWLVKPB-KSSFIOAISA-N 2 2 345.487 3.321 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006886 459794520 /nfs/dbraw/zinc/79/45/20/459794520.db2.gz AHVAMGKHWLVKPB-KSSFIOAISA-N 2 2 345.487 3.321 10 0 EGAELP C[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117766 459826559 /nfs/dbraw/zinc/82/65/59/459826559.db2.gz WCBFYPYQNPQAJT-BBRMVZONSA-N 2 2 335.398 3.024 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575046065 459915506 /nfs/dbraw/zinc/91/55/06/459915506.db2.gz ADGFESLTPNGIED-NRFANRHFSA-N 3 2 329.532 3.220 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575046065 459915515 /nfs/dbraw/zinc/91/55/15/459915515.db2.gz ADGFESLTPNGIED-NRFANRHFSA-N 3 2 329.532 3.220 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575046065 459915518 /nfs/dbraw/zinc/91/55/18/459915518.db2.gz ADGFESLTPNGIED-NRFANRHFSA-N 3 2 329.532 3.220 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575046065 459915527 /nfs/dbraw/zinc/91/55/27/459915527.db2.gz ADGFESLTPNGIED-NRFANRHFSA-N 3 2 329.532 3.220 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000626088012 460366123 /nfs/dbraw/zinc/36/61/23/460366123.db2.gz JHFVBMIEQNUYLP-UHFFFAOYSA-N 2 2 346.515 3.205 10 0 EGAELP CC(C)C[C@@H]([NH3+])c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000634555787 460418447 /nfs/dbraw/zinc/41/84/47/460418447.db2.gz VDHPBLYORWKOAY-VXGBXAGGSA-N 2 2 328.338 3.182 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771075 460438779 /nfs/dbraw/zinc/43/87/79/460438779.db2.gz MFHFCXDWSWPTLK-SWLSCSKDSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771075 460438785 /nfs/dbraw/zinc/43/87/85/460438785.db2.gz MFHFCXDWSWPTLK-SWLSCSKDSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](C[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885292 460495019 /nfs/dbraw/zinc/49/50/19/460495019.db2.gz ZZPHDZLHHPVNRT-KNQAVFIVSA-N 2 2 338.495 3.407 10 0 EGAELP C[C@H](C[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885292 460495025 /nfs/dbraw/zinc/49/50/25/460495025.db2.gz ZZPHDZLHHPVNRT-KNQAVFIVSA-N 2 2 338.495 3.407 10 0 EGAELP OCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000631659905 460495172 /nfs/dbraw/zinc/49/51/72/460495172.db2.gz BWDVNQVWZFTOKW-SFHVURJKSA-N 2 2 340.870 3.367 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C[NH2+]1 ZINC000629415414 460751946 /nfs/dbraw/zinc/75/19/46/460751946.db2.gz QBUALICLQUTVCB-YPMHNXCESA-N 2 2 334.261 3.227 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000623870714 460753512 /nfs/dbraw/zinc/75/35/12/460753512.db2.gz KIMGALHNMWVMAQ-PWSUYJOCSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000623870714 460753521 /nfs/dbraw/zinc/75/35/21/460753521.db2.gz KIMGALHNMWVMAQ-PWSUYJOCSA-N 2 2 335.801 3.369 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885682 460761072 /nfs/dbraw/zinc/76/10/72/460761072.db2.gz GCLVKDNJASRGFV-HZPDHXFCSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885682 460761078 /nfs/dbraw/zinc/76/10/78/460761078.db2.gz GCLVKDNJASRGFV-HZPDHXFCSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885680 460761204 /nfs/dbraw/zinc/76/12/04/460761204.db2.gz GCLVKDNJASRGFV-CVEARBPZSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccncc2)no1 ZINC000623885680 460761209 /nfs/dbraw/zinc/76/12/09/460761209.db2.gz GCLVKDNJASRGFV-CVEARBPZSA-N 2 2 343.475 3.291 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C[NH2+]1 ZINC000629536486 460798571 /nfs/dbraw/zinc/79/85/71/460798571.db2.gz GGJNKUFQVVHFMQ-OSAQELSMSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCc1cn(C)c[nH+]1 ZINC000623998220 460815738 /nfs/dbraw/zinc/81/57/38/460815738.db2.gz KXMAHDYGFLMLHG-JTQLQIEISA-N 2 2 346.784 3.251 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661637 460854352 /nfs/dbraw/zinc/85/43/52/460854352.db2.gz BATQMJFAKURIIX-KDURUIRLSA-N 2 2 344.890 3.266 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661637 460854359 /nfs/dbraw/zinc/85/43/59/460854359.db2.gz BATQMJFAKURIIX-KDURUIRLSA-N 2 2 344.890 3.266 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC1CC1 ZINC000628162059 461026011 /nfs/dbraw/zinc/02/60/11/461026011.db2.gz BTOBUJRJQNJOBG-MRXNPFEDSA-N 2 2 327.428 3.270 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC1CC1 ZINC000628162059 461026015 /nfs/dbraw/zinc/02/60/15/461026015.db2.gz BTOBUJRJQNJOBG-MRXNPFEDSA-N 2 2 327.428 3.270 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000652345307 461140571 /nfs/dbraw/zinc/14/05/71/461140571.db2.gz VOVDNUFZAUDIFV-UHFFFAOYSA-N 2 2 332.488 3.015 10 0 EGAELP CCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000662253095 461144564 /nfs/dbraw/zinc/14/45/64/461144564.db2.gz VAGFMZIBLVEOSU-ZIAGYGMSSA-N 2 2 341.293 3.211 10 0 EGAELP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000662253095 461144570 /nfs/dbraw/zinc/14/45/70/461144570.db2.gz VAGFMZIBLVEOSU-ZIAGYGMSSA-N 2 2 341.293 3.211 10 0 EGAELP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662257996 461146565 /nfs/dbraw/zinc/14/65/65/461146565.db2.gz RTRKKBUVIQEJKV-JKSUJKDBSA-N 2 2 328.378 3.221 10 0 EGAELP FC(F)(F)c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662257996 461146569 /nfs/dbraw/zinc/14/65/69/461146569.db2.gz RTRKKBUVIQEJKV-JKSUJKDBSA-N 2 2 328.378 3.221 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662265962 461152241 /nfs/dbraw/zinc/15/22/41/461152241.db2.gz VBNBCRQJUIBOMK-IUODEOHRSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662265962 461152251 /nfs/dbraw/zinc/15/22/51/461152251.db2.gz VBNBCRQJUIBOMK-IUODEOHRSA-N 2 2 328.378 3.391 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000649569380 461182005 /nfs/dbraw/zinc/18/20/05/461182005.db2.gz JYILNASLWRMOMD-FQEVSTJZSA-N 2 2 325.456 3.358 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000649569380 461182013 /nfs/dbraw/zinc/18/20/13/461182013.db2.gz JYILNASLWRMOMD-FQEVSTJZSA-N 2 2 325.456 3.358 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2sccc2Br)CCO1 ZINC000662324404 461193633 /nfs/dbraw/zinc/19/36/33/461193633.db2.gz XGKORNXVWHOCSJ-GFCCVEGCSA-N 2 2 347.322 3.053 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2sccc2Br)CCO1 ZINC000662324404 461193643 /nfs/dbraw/zinc/19/36/43/461193643.db2.gz XGKORNXVWHOCSJ-GFCCVEGCSA-N 2 2 347.322 3.053 10 0 EGAELP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655772950 461437885 /nfs/dbraw/zinc/43/78/85/461437885.db2.gz ONRPYBVFONKZAU-BPUTZDHNSA-N 2 2 334.426 3.341 10 0 EGAELP COc1ccccc1N1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000631041068 461493950 /nfs/dbraw/zinc/49/39/50/461493950.db2.gz IQUUKBUUHWZCLM-KRWDZBQOSA-N 2 2 331.504 3.128 10 0 EGAELP COc1ccccc1N1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000631041068 461493957 /nfs/dbraw/zinc/49/39/57/461493957.db2.gz IQUUKBUUHWZCLM-KRWDZBQOSA-N 2 2 331.504 3.128 10 0 EGAELP Cc1cc(CO)cc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)[nH+]1 ZINC000663381522 461603827 /nfs/dbraw/zinc/60/38/27/461603827.db2.gz JCWIZDPFUOTMBO-OAHLLOKOSA-N 2 2 345.874 3.419 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253524 461675191 /nfs/dbraw/zinc/67/51/91/461675191.db2.gz PBXLPCJITWLAMY-DNVCBOLYSA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253524 461675200 /nfs/dbraw/zinc/67/52/00/461675200.db2.gz PBXLPCJITWLAMY-DNVCBOLYSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253524 461675207 /nfs/dbraw/zinc/67/52/07/461675207.db2.gz PBXLPCJITWLAMY-DNVCBOLYSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253524 461675216 /nfs/dbraw/zinc/67/52/16/461675216.db2.gz PBXLPCJITWLAMY-DNVCBOLYSA-N 2 2 344.478 3.482 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000643365209 461708077 /nfs/dbraw/zinc/70/80/77/461708077.db2.gz ZHWIELXSWFTCBM-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CC(=O)N1CCCC1 ZINC000643365209 461708082 /nfs/dbraw/zinc/70/80/82/461708082.db2.gz ZHWIELXSWFTCBM-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480303 461727761 /nfs/dbraw/zinc/72/77/61/461727761.db2.gz JBGBQHBITFDIEV-BBRMVZONSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480303 461727767 /nfs/dbraw/zinc/72/77/67/461727767.db2.gz JBGBQHBITFDIEV-BBRMVZONSA-N 2 2 340.414 3.261 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480717 461729332 /nfs/dbraw/zinc/72/93/32/461729332.db2.gz XXSMONJIHLVIJY-IRXDYDNUSA-N 2 2 348.487 3.067 10 0 EGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480717 461729339 /nfs/dbraw/zinc/72/93/39/461729339.db2.gz XXSMONJIHLVIJY-IRXDYDNUSA-N 2 2 348.487 3.067 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000656460202 461751116 /nfs/dbraw/zinc/75/11/16/461751116.db2.gz KTLUYPHGGGMVOB-CQSZACIVSA-N 2 2 326.469 3.452 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000656460202 461751124 /nfs/dbraw/zinc/75/11/24/461751124.db2.gz KTLUYPHGGGMVOB-CQSZACIVSA-N 2 2 326.469 3.452 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[NH2+]C[C@H](C)C3)ccn2)cc1 ZINC000647550947 461762800 /nfs/dbraw/zinc/76/28/00/461762800.db2.gz PUVJEROJQVHVSG-WBVHZDCISA-N 2 2 341.455 3.360 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647553478 461764367 /nfs/dbraw/zinc/76/43/67/461764367.db2.gz AQCBDAYIZQHJFT-MRXNPFEDSA-N 2 2 340.414 3.451 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553452 461764434 /nfs/dbraw/zinc/76/44/34/461764434.db2.gz ACNKGDSXCCVTOU-RTBURBONSA-N 2 2 330.472 3.009 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900406 461875632 /nfs/dbraw/zinc/87/56/32/461875632.db2.gz AQGUQKMBIMYSNZ-OKZBNKHCSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900406 461875638 /nfs/dbraw/zinc/87/56/38/461875638.db2.gz AQGUQKMBIMYSNZ-OKZBNKHCSA-N 2 2 329.488 3.094 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901342 461877200 /nfs/dbraw/zinc/87/72/00/461877200.db2.gz MQOKBYFMYBYFQC-RLFYNMQTSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901342 461877205 /nfs/dbraw/zinc/87/72/05/461877205.db2.gz MQOKBYFMYBYFQC-RLFYNMQTSA-N 2 2 347.528 3.200 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647903266 461877707 /nfs/dbraw/zinc/87/77/07/461877707.db2.gz IFCLLQRXTUZPCH-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647903266 461877712 /nfs/dbraw/zinc/87/77/12/461877712.db2.gz IFCLLQRXTUZPCH-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000650704665 461897724 /nfs/dbraw/zinc/89/77/24/461897724.db2.gz PUKZGJLVVLKSTJ-UHFFFAOYSA-N 2 2 333.863 3.089 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnccc2C)cc1 ZINC000656790272 461899849 /nfs/dbraw/zinc/89/98/49/461899849.db2.gz MXYJYMMOSNBCNZ-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647997575 461929250 /nfs/dbraw/zinc/92/92/50/461929250.db2.gz PHTHKNURFAPSDO-CZUORRHYSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647997575 461929253 /nfs/dbraw/zinc/92/92/53/461929253.db2.gz PHTHKNURFAPSDO-CZUORRHYSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647997573 461929271 /nfs/dbraw/zinc/92/92/71/461929271.db2.gz PHTHKNURFAPSDO-BBRMVZONSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647997573 461929275 /nfs/dbraw/zinc/92/92/75/461929275.db2.gz PHTHKNURFAPSDO-BBRMVZONSA-N 2 2 326.843 3.242 10 0 EGAELP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000650756740 461937427 /nfs/dbraw/zinc/93/74/27/461937427.db2.gz IWQWQXXPDHRFBY-FQEVSTJZSA-N 2 2 338.430 3.158 10 0 EGAELP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000648009058 461938186 /nfs/dbraw/zinc/93/81/86/461938186.db2.gz LTCGTLCZVYNLGA-UHFFFAOYSA-N 2 2 325.416 3.091 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C2 ZINC000644534181 461973551 /nfs/dbraw/zinc/97/35/51/461973551.db2.gz BWKYEGJCSXHARA-ROUUACIJSA-N 2 2 341.499 3.079 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C2 ZINC000644534179 461974170 /nfs/dbraw/zinc/97/41/70/461974170.db2.gz BWKYEGJCSXHARA-MSOLQXFVSA-N 2 2 341.499 3.079 10 0 EGAELP Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000654067035 462019256 /nfs/dbraw/zinc/01/92/56/462019256.db2.gz IAHJBCBWERDQQX-WOVMCDHWSA-N 2 2 339.439 3.252 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657314620 462038931 /nfs/dbraw/zinc/03/89/31/462038931.db2.gz YBOBDJPJVYHFQO-UHFFFAOYSA-N 2 2 339.487 3.066 10 0 EGAELP Fc1ccc2c(N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)cc[nH+]c2c1 ZINC000664537353 462096920 /nfs/dbraw/zinc/09/69/20/462096920.db2.gz LJZUPQONBLMEGR-RTBURBONSA-N 2 2 341.430 3.429 10 0 EGAELP C[C@]1(c2ccccc2)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667622672 462178619 /nfs/dbraw/zinc/17/86/19/462178619.db2.gz WCIOUEZQFQWCFJ-HXUWFJFHSA-N 2 2 334.423 3.015 10 0 EGAELP C[C@]1(c2ccccc2)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667622672 462178624 /nfs/dbraw/zinc/17/86/24/462178624.db2.gz WCIOUEZQFQWCFJ-HXUWFJFHSA-N 2 2 334.423 3.015 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccsc2)O1 ZINC000667680964 462210483 /nfs/dbraw/zinc/21/04/83/462210483.db2.gz XPZQDJOQDQSDJT-KSSFIOAISA-N 2 2 340.452 3.291 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccsc2)O1 ZINC000667680964 462210485 /nfs/dbraw/zinc/21/04/85/462210485.db2.gz XPZQDJOQDQSDJT-KSSFIOAISA-N 2 2 340.452 3.291 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000657672992 462224590 /nfs/dbraw/zinc/22/45/90/462224590.db2.gz GLEXPNPSTSGICM-NVXWUHKLSA-N 2 2 343.446 3.372 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000657672992 462224596 /nfs/dbraw/zinc/22/45/96/462224596.db2.gz GLEXPNPSTSGICM-NVXWUHKLSA-N 2 2 343.446 3.372 10 0 EGAELP CC1(C)C[C@@H]([NH2+]CC(O)(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657697455 462234326 /nfs/dbraw/zinc/23/43/26/462234326.db2.gz DAUGNDLLLNLYOS-LJQANCHMSA-N 2 2 328.500 3.180 10 0 EGAELP CC1(C)C[C@@H]([NH2+]CC(O)(C2CC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000657697455 462234332 /nfs/dbraw/zinc/23/43/32/462234332.db2.gz DAUGNDLLLNLYOS-LJQANCHMSA-N 2 2 328.500 3.180 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774442 462261261 /nfs/dbraw/zinc/26/12/61/462261261.db2.gz YTTMUOZMYSZLGB-IBGZPJMESA-N 2 2 338.499 3.295 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774442 462261268 /nfs/dbraw/zinc/26/12/68/462261268.db2.gz YTTMUOZMYSZLGB-IBGZPJMESA-N 2 2 338.499 3.295 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773571 462261705 /nfs/dbraw/zinc/26/17/05/462261705.db2.gz SIFZNRKDSFBCOQ-LJQANCHMSA-N 3 2 338.499 3.120 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773571 462261707 /nfs/dbraw/zinc/26/17/07/462261707.db2.gz SIFZNRKDSFBCOQ-LJQANCHMSA-N 3 2 338.499 3.120 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000658053976 462358554 /nfs/dbraw/zinc/35/85/54/462358554.db2.gz CIVNZYSROVUVAF-MRXNPFEDSA-N 2 2 337.458 3.396 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000658053976 462358556 /nfs/dbraw/zinc/35/85/56/462358556.db2.gz CIVNZYSROVUVAF-MRXNPFEDSA-N 2 2 337.458 3.396 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056466 462359242 /nfs/dbraw/zinc/35/92/42/462359242.db2.gz LJJDOVZWHRVAAW-ZFWWWQNUSA-N 2 2 336.476 3.236 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056466 462359248 /nfs/dbraw/zinc/35/92/48/462359248.db2.gz LJJDOVZWHRVAAW-ZFWWWQNUSA-N 2 2 336.476 3.236 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000651865890 462359947 /nfs/dbraw/zinc/35/99/47/462359947.db2.gz LNORWGQZYRUEAO-UHFFFAOYSA-N 3 2 349.538 3.400 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000651865890 462359951 /nfs/dbraw/zinc/35/99/51/462359951.db2.gz LNORWGQZYRUEAO-UHFFFAOYSA-N 3 2 349.538 3.400 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058848 462360820 /nfs/dbraw/zinc/36/08/20/462360820.db2.gz VCAYGXANUGDIRW-QFBILLFUSA-N 2 2 331.504 3.047 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058848 462360826 /nfs/dbraw/zinc/36/08/26/462360826.db2.gz VCAYGXANUGDIRW-QFBILLFUSA-N 2 2 331.504 3.047 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059850 462361659 /nfs/dbraw/zinc/36/16/59/462361659.db2.gz XVWQBAWTEQCQIX-IAGOWNOFSA-N 2 2 334.504 3.487 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059850 462361665 /nfs/dbraw/zinc/36/16/65/462361665.db2.gz XVWQBAWTEQCQIX-IAGOWNOFSA-N 2 2 334.504 3.487 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccncc2)cc1F ZINC000665259775 462373962 /nfs/dbraw/zinc/37/39/62/462373962.db2.gz PMOYXMOCKMNCIV-OWQGQXMQSA-N 2 2 329.419 3.026 10 0 EGAELP Cc1c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cnn1-c1cccc(Cl)c1 ZINC000665277521 462381270 /nfs/dbraw/zinc/38/12/70/462381270.db2.gz DHAKDLYWZVRKNC-DTVQEZCTSA-N 2 2 330.863 3.237 10 0 EGAELP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277557 462381573 /nfs/dbraw/zinc/38/15/73/462381573.db2.gz FKTHRMHFGOCOQL-ISWZSGDOSA-N 2 2 327.497 3.445 10 0 EGAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658117937 462395437 /nfs/dbraw/zinc/39/54/37/462395437.db2.gz XRTLWPAZBLBKFM-MCYKXBRJSA-N 2 2 343.471 3.089 10 0 EGAELP OCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000652037541 462412073 /nfs/dbraw/zinc/41/20/73/462412073.db2.gz SCDXFUSRUSTRDK-UHFFFAOYSA-N 2 2 336.907 3.447 10 0 EGAELP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000668107886 462423860 /nfs/dbraw/zinc/42/38/60/462423860.db2.gz MBZNHGGDPKWGFG-KRWDZBQOSA-N 2 2 327.472 3.021 10 0 EGAELP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000668107886 462423867 /nfs/dbraw/zinc/42/38/67/462423867.db2.gz MBZNHGGDPKWGFG-KRWDZBQOSA-N 2 2 327.472 3.021 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000652199793 462469812 /nfs/dbraw/zinc/46/98/12/462469812.db2.gz CLUWELPMNRKULE-QRWLVFNGSA-N 2 2 334.423 3.050 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccn2)cc1 ZINC000652199793 462469817 /nfs/dbraw/zinc/46/98/17/462469817.db2.gz CLUWELPMNRKULE-QRWLVFNGSA-N 2 2 334.423 3.050 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203386 462470742 /nfs/dbraw/zinc/47/07/42/462470742.db2.gz JZUXIZCBUQJCCY-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203386 462470744 /nfs/dbraw/zinc/47/07/44/462470744.db2.gz JZUXIZCBUQJCCY-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000652246029 462488122 /nfs/dbraw/zinc/48/81/22/462488122.db2.gz JUMXSHYKRVBPSW-TYCQWZJGSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000652246029 462488125 /nfs/dbraw/zinc/48/81/25/462488125.db2.gz JUMXSHYKRVBPSW-TYCQWZJGSA-N 2 2 328.500 3.302 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000178219436 526644248 /nfs/dbraw/zinc/64/42/48/526644248.db2.gz HRHKWSXEGLWHEZ-CQSZACIVSA-N 2 2 336.233 3.149 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174773733 529164455 /nfs/dbraw/zinc/16/44/55/529164455.db2.gz OHYYGECNZJMSSM-QFBILLFUSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174773733 529164457 /nfs/dbraw/zinc/16/44/57/529164457.db2.gz OHYYGECNZJMSSM-QFBILLFUSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773733 529164462 /nfs/dbraw/zinc/16/44/62/529164462.db2.gz OHYYGECNZJMSSM-QFBILLFUSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174773733 529164466 /nfs/dbraw/zinc/16/44/66/529164466.db2.gz OHYYGECNZJMSSM-QFBILLFUSA-N 2 2 345.531 3.412 10 0 EGAELP CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344640532 535303075 /nfs/dbraw/zinc/30/30/75/535303075.db2.gz IGYJFTBJJIOMCY-HNNXBMFYSA-N 2 2 347.484 3.488 10 0 EGAELP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344640532 535303081 /nfs/dbraw/zinc/30/30/81/535303081.db2.gz IGYJFTBJJIOMCY-HNNXBMFYSA-N 2 2 347.484 3.488 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000163689947 546973373 /nfs/dbraw/zinc/97/33/73/546973373.db2.gz LZZHVGQGFWDEKP-IBGZPJMESA-N 2 2 332.488 3.218 10 0 EGAELP CN(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Cc1ccc(F)cc1 ZINC000181712766 547071831 /nfs/dbraw/zinc/07/18/31/547071831.db2.gz QEXJDXAUWQMEBL-GOSISDBHSA-N 2 2 342.462 3.087 10 0 EGAELP CN(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Cc1ccc(F)cc1 ZINC000181712766 547071833 /nfs/dbraw/zinc/07/18/33/547071833.db2.gz QEXJDXAUWQMEBL-GOSISDBHSA-N 2 2 342.462 3.087 10 0 EGAELP C[N@H+](Cc1cccc2cnccc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000183279019 547093474 /nfs/dbraw/zinc/09/34/74/547093474.db2.gz LBEWMLGUJGHNOG-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP C[N@@H+](Cc1cccc2cnccc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000183279019 547093479 /nfs/dbraw/zinc/09/34/79/547093479.db2.gz LBEWMLGUJGHNOG-UHFFFAOYSA-N 2 2 349.482 3.028 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681358 547121536 /nfs/dbraw/zinc/12/15/36/547121536.db2.gz XEAFFUPYUJDSBY-KBPBESRZSA-N 2 2 330.432 3.072 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681358 547121542 /nfs/dbraw/zinc/12/15/42/547121542.db2.gz XEAFFUPYUJDSBY-KBPBESRZSA-N 2 2 330.432 3.072 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383660466 547821341 /nfs/dbraw/zinc/82/13/41/547821341.db2.gz GHIRGLOFKYPAFB-IBGZPJMESA-N 2 2 326.488 3.295 10 0 EGAELP CCn1ccnc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383660466 547821346 /nfs/dbraw/zinc/82/13/46/547821346.db2.gz GHIRGLOFKYPAFB-IBGZPJMESA-N 2 2 326.488 3.295 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H]2CCO[C@H]21 ZINC000398079918 547835532 /nfs/dbraw/zinc/83/55/32/547835532.db2.gz RKNUBPXHBCQDQW-XCJLJZCSSA-N 2 2 328.500 3.444 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H]2CCO[C@H]21 ZINC000398079918 547835537 /nfs/dbraw/zinc/83/55/37/547835537.db2.gz RKNUBPXHBCQDQW-XCJLJZCSSA-N 2 2 328.500 3.444 10 0 EGAELP CN(c1ccccc1C[NH2+][C@@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000673618571 548583624 /nfs/dbraw/zinc/58/36/24/548583624.db2.gz RPXBPEJYCOZUFA-GOSISDBHSA-N 2 2 337.458 3.494 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000674879511 548820849 /nfs/dbraw/zinc/82/08/49/548820849.db2.gz UJPJEKVMTOPRGW-BFLSOPEQSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000674879511 548820852 /nfs/dbraw/zinc/82/08/52/548820852.db2.gz UJPJEKVMTOPRGW-BFLSOPEQSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CC(C)(C)C ZINC000677362235 549257874 /nfs/dbraw/zinc/25/78/74/549257874.db2.gz KSABMLDVRJOLTR-HTUJPFKRSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CC(C)(C)C ZINC000677362235 549257878 /nfs/dbraw/zinc/25/78/78/549257878.db2.gz KSABMLDVRJOLTR-HTUJPFKRSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@H](CCc1ccco1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045787 549625272 /nfs/dbraw/zinc/62/52/72/549625272.db2.gz XFHASDMELOWXOI-NQIIRXRSSA-N 2 2 342.483 3.217 10 0 EGAELP C[C@H](CCc1ccco1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045787 549625274 /nfs/dbraw/zinc/62/52/74/549625274.db2.gz XFHASDMELOWXOI-NQIIRXRSSA-N 2 2 342.483 3.217 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H](C)Cc3ccn(C(C)C)n3)[nH+]c12 ZINC000679992176 549802562 /nfs/dbraw/zinc/80/25/62/549802562.db2.gz YDWGQPOHJPNHCS-INIZCTEOSA-N 2 2 325.460 3.183 10 0 EGAELP CSc1ccccc1C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000684212300 550305256 /nfs/dbraw/zinc/30/52/56/550305256.db2.gz YQYVBTIAJFGGNJ-IBGZPJMESA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000684212300 550305258 /nfs/dbraw/zinc/30/52/58/550305258.db2.gz YQYVBTIAJFGGNJ-IBGZPJMESA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000684212300 550305260 /nfs/dbraw/zinc/30/52/60/550305260.db2.gz YQYVBTIAJFGGNJ-IBGZPJMESA-N 2 2 344.524 3.333 10 0 EGAELP CSc1ccccc1C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000684212300 550305263 /nfs/dbraw/zinc/30/52/63/550305263.db2.gz YQYVBTIAJFGGNJ-IBGZPJMESA-N 2 2 344.524 3.333 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379700 550321841 /nfs/dbraw/zinc/32/18/41/550321841.db2.gz STTHDHYUNOZFKJ-ZWKOTPCHSA-N 2 2 338.536 3.347 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379700 550321843 /nfs/dbraw/zinc/32/18/43/550321843.db2.gz STTHDHYUNOZFKJ-ZWKOTPCHSA-N 2 2 338.536 3.347 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000732275881 575252770 /nfs/dbraw/zinc/25/27/70/575252770.db2.gz QEQVCLCDTDWCBF-GOSISDBHSA-N 2 2 338.455 3.309 10 0 EGAELP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000732275881 575252774 /nfs/dbraw/zinc/25/27/74/575252774.db2.gz QEQVCLCDTDWCBF-GOSISDBHSA-N 2 2 338.455 3.309 10 0 EGAELP CCOc1nn(C[NH+]2CCC(C[NH+](CC)CC)CC2)c(=S)s1 ZINC000738070419 576284502 /nfs/dbraw/zinc/28/45/02/576284502.db2.gz GKCVERWUUCIGNY-UHFFFAOYSA-N 2 2 344.550 3.084 10 0 EGAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738953059 576370321 /nfs/dbraw/zinc/37/03/21/576370321.db2.gz XDKRDSPIOISPAG-MRXNPFEDSA-N 2 2 329.448 3.110 10 0 EGAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738953059 576370323 /nfs/dbraw/zinc/37/03/23/576370323.db2.gz XDKRDSPIOISPAG-MRXNPFEDSA-N 2 2 329.448 3.110 10 0 EGAELP COCc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000742391060 576778392 /nfs/dbraw/zinc/77/83/92/576778392.db2.gz BPNUCYIPADYLSS-ZDUSSCGKSA-N 2 2 328.441 3.326 10 0 EGAELP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000743261203 576804535 /nfs/dbraw/zinc/80/45/35/576804535.db2.gz PXCYUWOWSUHHHH-KRWDZBQOSA-N 2 2 331.847 3.027 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCO[C@H](C(C)(C)C)C3)[nH+]c2)C1 ZINC000872058028 1296705503 /nfs/dbraw/zinc/70/55/03/1296705503.db2.gz MIAKNTYBSWLQHG-JQHSSLGASA-N 2 2 346.519 3.228 10 0 EGAELP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000872146403 1296767674 /nfs/dbraw/zinc/76/76/74/1296767674.db2.gz MYABTKFSWNCGFO-UHFFFAOYSA-N 3 2 327.516 3.173 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000872150112 1296769266 /nfs/dbraw/zinc/76/92/66/1296769266.db2.gz DLXUHLUOXGBFBA-GXTWGEPZSA-N 2 2 341.402 3.379 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000872150112 1296769280 /nfs/dbraw/zinc/76/92/80/1296769280.db2.gz DLXUHLUOXGBFBA-GXTWGEPZSA-N 2 2 341.402 3.379 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379656999 1297536330 /nfs/dbraw/zinc/53/63/30/1297536330.db2.gz REQUMSQMRCFWNL-PXNSSMCTSA-N 2 2 337.467 3.268 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379656999 1297536332 /nfs/dbraw/zinc/53/63/32/1297536332.db2.gz REQUMSQMRCFWNL-PXNSSMCTSA-N 2 2 337.467 3.268 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551357 1300070306 /nfs/dbraw/zinc/07/03/06/1300070306.db2.gz AYJOKQFMDLDRET-NJYVYQBISA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551357 1300070316 /nfs/dbraw/zinc/07/03/16/1300070316.db2.gz AYJOKQFMDLDRET-NJYVYQBISA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551356 1300071417 /nfs/dbraw/zinc/07/14/17/1300071417.db2.gz AYJOKQFMDLDRET-HKBOAZHASA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551356 1300071431 /nfs/dbraw/zinc/07/14/31/1300071431.db2.gz AYJOKQFMDLDRET-HKBOAZHASA-N 2 2 344.499 3.093 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+][C@H]1CCC12CCOCC2 ZINC000883346673 1302405190 /nfs/dbraw/zinc/40/51/90/1302405190.db2.gz FCHMTFAQAQPZLR-PMACEKPBSA-N 2 2 341.499 3.342 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+][C@H]1CCC12CCOCC2 ZINC000883346673 1302405192 /nfs/dbraw/zinc/40/51/92/1302405192.db2.gz FCHMTFAQAQPZLR-PMACEKPBSA-N 2 2 341.499 3.342 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000886263622 1303412996 /nfs/dbraw/zinc/41/29/96/1303412996.db2.gz BEKYPKWFZOYYHW-WMLDXEAASA-N 2 2 346.475 3.145 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000886263622 1303413004 /nfs/dbraw/zinc/41/30/04/1303413004.db2.gz BEKYPKWFZOYYHW-WMLDXEAASA-N 2 2 346.475 3.145 10 0 EGAELP CCc1nn(C)c(CC)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110811 1309194672 /nfs/dbraw/zinc/19/46/72/1309194672.db2.gz YEBGUUFYDSIIPY-WKILWMFISA-N 2 2 341.503 3.216 10 0 EGAELP COc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1OC ZINC000895110935 1309195181 /nfs/dbraw/zinc/19/51/81/1309195181.db2.gz DGZPJQXLRGVKPG-QAQDUYKDSA-N 2 2 341.455 3.375 10 0 EGAELP C[C@H]1C[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC[N@@H+]1C ZINC000896821265 1310032853 /nfs/dbraw/zinc/03/28/53/1310032853.db2.gz QYRQPMRPKDUSQF-HOCLYGCPSA-N 2 2 337.427 3.044 10 0 EGAELP C[C@H]1C[C@@H](c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC[N@H+]1C ZINC000896821265 1310032862 /nfs/dbraw/zinc/03/28/62/1310032862.db2.gz QYRQPMRPKDUSQF-HOCLYGCPSA-N 2 2 337.427 3.044 10 0 EGAELP C[NH+]1CCC(CNc2nc(Cl)cs2)([NH+]2CCCCC2)CC1 ZINC000858426881 1328759412 /nfs/dbraw/zinc/75/94/12/1328759412.db2.gz VRDHDGFQEFXHGE-UHFFFAOYSA-N 2 2 328.913 3.159 10 0 EGAELP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1F ZINC000920425470 1322176133 /nfs/dbraw/zinc/17/61/33/1322176133.db2.gz KLIYUFJBWATRIL-SFHVURJKSA-N 2 2 347.340 3.113 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c[nH+]1 ZINC000921518843 1322337152 /nfs/dbraw/zinc/33/71/52/1322337152.db2.gz YOMQLSULCVYRSN-PWIZWCRZSA-N 2 2 325.456 3.226 10 0 EGAELP Cc1nc(C[NH2+]CCCNc2cccc[nH+]2)sc1Br ZINC000921821039 1322404670 /nfs/dbraw/zinc/40/46/70/1322404670.db2.gz FPQIYJBTJMAWTH-UHFFFAOYSA-N 2 2 341.278 3.201 10 0 EGAELP OC[C@H](CCc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922543682 1322552450 /nfs/dbraw/zinc/55/24/50/1322552450.db2.gz IHSUPTRZENKUJT-INIZCTEOSA-N 2 2 327.453 3.017 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000922693385 1322592899 /nfs/dbraw/zinc/59/28/99/1322592899.db2.gz GUXKBQVVWGUVIB-CVEARBPZSA-N 2 2 339.361 3.462 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)n1 ZINC000924585275 1323063344 /nfs/dbraw/zinc/06/33/44/1323063344.db2.gz UMVJHIHWWBTPDD-OAHLLOKOSA-N 2 2 329.492 3.299 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924767419 1323152078 /nfs/dbraw/zinc/15/20/78/1323152078.db2.gz VQPSSOOZUSKMHB-VQTJNVASSA-N 2 2 346.490 3.480 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924767419 1323152086 /nfs/dbraw/zinc/15/20/86/1323152086.db2.gz VQPSSOOZUSKMHB-VQTJNVASSA-N 2 2 346.490 3.480 10 0 EGAELP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000925015729 1323244881 /nfs/dbraw/zinc/24/48/81/1323244881.db2.gz KTPLDENFJNMRBO-YADHBBJMSA-N 2 2 335.495 3.309 10 0 EGAELP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000925015729 1323244887 /nfs/dbraw/zinc/24/48/87/1323244887.db2.gz KTPLDENFJNMRBO-YADHBBJMSA-N 2 2 335.495 3.309 10 0 EGAELP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925093885 1323277469 /nfs/dbraw/zinc/27/74/69/1323277469.db2.gz MHEZYWHJDABBON-KBXCAEBGSA-N 2 2 349.906 3.203 10 0 EGAELP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925148898 1325066136 /nfs/dbraw/zinc/06/61/36/1325066136.db2.gz LHBYJYQGUKQJDJ-NHCUHLMSSA-N 2 2 345.531 3.372 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925597195 1325227491 /nfs/dbraw/zinc/22/74/91/1325227491.db2.gz PYNFPSUGIKZFST-WOJBJXKFSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925597195 1325227499 /nfs/dbraw/zinc/22/74/99/1325227499.db2.gz PYNFPSUGIKZFST-WOJBJXKFSA-N 2 2 332.488 3.208 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)c2cn3c([nH+]2)CCCC3)cc1 ZINC000926382084 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3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172155 1396312244 /nfs/dbraw/zinc/31/22/44/1396312244.db2.gz VYHBUCRMSVOQNL-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001492172155 1396312245 /nfs/dbraw/zinc/31/22/45/1396312245.db2.gz VYHBUCRMSVOQNL-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001492172155 1396312246 /nfs/dbraw/zinc/31/22/46/1396312246.db2.gz VYHBUCRMSVOQNL-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001690370276 1404500238 /nfs/dbraw/zinc/50/02/38/1404500238.db2.gz QFQCYTAHVZXRCP-MKXGPGLRSA-N 2 2 346.519 3.117 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690541932 1404627683 /nfs/dbraw/zinc/62/76/83/1404627683.db2.gz VUNNCVPSVDHFQW-ZXNFYAHGSA-N 2 2 332.492 3.208 10 0 EGAELP 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IEILGPGASWXERD-INIZCTEOSA-N 2 2 348.535 3.385 10 0 EGAELP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001691960907 1405677933 /nfs/dbraw/zinc/67/79/33/1405677933.db2.gz XJDRDGMZZGCHHB-BDUNBXCCSA-N 2 2 344.503 3.012 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692329410 1405947482 /nfs/dbraw/zinc/94/74/82/1405947482.db2.gz IJNNWIGVIXRRGS-MSOLQXFVSA-N 2 2 332.492 3.161 10 0 EGAELP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001692329388 1405947764 /nfs/dbraw/zinc/94/77/64/1405947764.db2.gz IBYSJZPWLDGPON-BDUNBXCCSA-N 2 2 332.492 3.059 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001698572474 1406178267 /nfs/dbraw/zinc/17/82/67/1406178267.db2.gz AJQTYSHYPJHTFI-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001698572474 1406178269 /nfs/dbraw/zinc/17/82/69/1406178269.db2.gz AJQTYSHYPJHTFI-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001698572475 1406178553 /nfs/dbraw/zinc/17/85/53/1406178553.db2.gz AJQTYSHYPJHTFI-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001698572475 1406178556 /nfs/dbraw/zinc/17/85/56/1406178556.db2.gz AJQTYSHYPJHTFI-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076954 1428328508 /nfs/dbraw/zinc/32/85/08/1428328508.db2.gz UPMKTGDVJOVULW-HKUYNNGSSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076954 1428328510 /nfs/dbraw/zinc/32/85/10/1428328510.db2.gz UPMKTGDVJOVULW-HKUYNNGSSA-N 2 2 346.519 3.195 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732214598 1428462612 /nfs/dbraw/zinc/46/26/12/1428462612.db2.gz AIJJGVSYLWCPHU-RDJZCZTQSA-N 2 2 348.535 3.289 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732214598 1428462613 /nfs/dbraw/zinc/46/26/13/1428462613.db2.gz AIJJGVSYLWCPHU-RDJZCZTQSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1)n1cc[nH+]c1 ZINC001732235411 1428481710 /nfs/dbraw/zinc/48/17/10/1428481710.db2.gz JBNNGFYTTVUSAD-QGZVFWFLSA-N 2 2 346.519 3.433 10 0 EGAELP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001732259558 1428499963 /nfs/dbraw/zinc/49/99/63/1428499963.db2.gz UCVIIFNWZQEGGG-FXAWDEMLSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001732282832 1428513344 /nfs/dbraw/zinc/51/33/44/1428513344.db2.gz BUNVHJKNNMXGMU-AEFFLSMTSA-N 2 2 348.535 3.161 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001732282862 1428513461 /nfs/dbraw/zinc/51/34/61/1428513461.db2.gz BUNVHJKNNMXGMU-SJLPKXTDSA-N 2 2 348.535 3.161 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]CCCC2CCCC2)CC1 ZINC001732302859 1428520244 /nfs/dbraw/zinc/52/02/44/1428520244.db2.gz FHQWPHOMXSZCOH-UHFFFAOYSA-N 2 2 346.519 3.072 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]C/C=C/c1ccccc1 ZINC001732351760 1428544890 /nfs/dbraw/zinc/54/48/90/1428544890.db2.gz FXYSLRXPEWZGBI-RCMYXZNBSA-N 2 2 348.450 3.003 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)c[nH+]1 ZINC001732426444 1428576284 /nfs/dbraw/zinc/57/62/84/1428576284.db2.gz MLJYYFDNRBJYKB-RDJZCZTQSA-N 2 2 336.524 3.045 10 0 EGAELP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732441032 1428582108 /nfs/dbraw/zinc/58/21/08/1428582108.db2.gz RMKAYHHDQUEDFQ-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001699118573 1412519035 /nfs/dbraw/zinc/51/90/35/1412519035.db2.gz FFFVSKCNKUXPIO-HNNXBMFYSA-N 2 2 325.456 3.305 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CC3CCC(C)CC3)ccn12 ZINC001699404028 1412717234 /nfs/dbraw/zinc/71/72/34/1412717234.db2.gz XYDZXHHNCHPBJM-CKDBGZEDSA-N 2 2 342.487 3.177 10 0 EGAELP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440655 1412768208 /nfs/dbraw/zinc/76/82/08/1412768208.db2.gz GMTFYIPYBVHVQI-INIZCTEOSA-N 2 2 348.535 3.025 10 0 EGAELP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440655 1412768212 /nfs/dbraw/zinc/76/82/12/1412768212.db2.gz GMTFYIPYBVHVQI-INIZCTEOSA-N 2 2 348.535 3.025 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]1C ZINC001699731726 1413143654 /nfs/dbraw/zinc/14/36/54/1413143654.db2.gz FHPMYAZYSBIKQD-WBVHZDCISA-N 2 2 347.503 3.038 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001699741040 1413152264 /nfs/dbraw/zinc/15/22/64/1413152264.db2.gz YAUNRMVDLCKITF-IAGOWNOFSA-N 2 2 348.535 3.148 10 0 EGAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001699821133 1413241849 /nfs/dbraw/zinc/24/18/49/1413241849.db2.gz NFXJYYXNHHENPF-YLJYHZDGSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001699821133 1413241853 /nfs/dbraw/zinc/24/18/53/1413241853.db2.gz NFXJYYXNHHENPF-YLJYHZDGSA-N 2 2 346.519 3.385 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001699942681 1413385799 /nfs/dbraw/zinc/38/57/99/1413385799.db2.gz DLIJMNXNUSNZEH-FDRQBBGKSA-N 2 2 340.471 3.131 10 0 EGAELP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001699978580 1413423239 /nfs/dbraw/zinc/42/32/39/1413423239.db2.gz BMKKDSMPSLKUTA-BZSNNMDCSA-N 2 2 334.508 3.002 10 0 EGAELP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001700101679 1413519162 /nfs/dbraw/zinc/51/91/62/1413519162.db2.gz NXJCLGKUYRLFNM-GUDVDZBRSA-N 2 2 348.535 3.391 10 0 EGAELP CCCCC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001700108085 1413526949 /nfs/dbraw/zinc/52/69/49/1413526949.db2.gz MCYLFGPFCPPMKD-UHFFFAOYSA-N 2 2 340.471 3.063 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700341182 1413822981 /nfs/dbraw/zinc/82/29/81/1413822981.db2.gz QENOMGRMXIYZSJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700341182 1413822986 /nfs/dbraw/zinc/82/29/86/1413822986.db2.gz QENOMGRMXIYZSJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001700341182 1413822988 /nfs/dbraw/zinc/82/29/88/1413822988.db2.gz QENOMGRMXIYZSJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001700341182 1413822995 /nfs/dbraw/zinc/82/29/95/1413822995.db2.gz QENOMGRMXIYZSJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001700363258 1413880770 /nfs/dbraw/zinc/88/07/70/1413880770.db2.gz PAVMTSFWJRKMIG-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001700363258 1413880773 /nfs/dbraw/zinc/88/07/73/1413880773.db2.gz PAVMTSFWJRKMIG-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP Cc1cccc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC001732570126 1428764362 /nfs/dbraw/zinc/76/43/62/1428764362.db2.gz RNJLUVVGGJGRPI-IEBWSBKVSA-N 2 2 342.487 3.073 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463183 1414065209 /nfs/dbraw/zinc/06/52/09/1414065209.db2.gz FHNNLAOVNMJLSI-AEFFLSMTSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463183 1414065216 /nfs/dbraw/zinc/06/52/16/1414065216.db2.gz FHNNLAOVNMJLSI-AEFFLSMTSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(C)CC1 ZINC001700506570 1414154268 /nfs/dbraw/zinc/15/42/68/1414154268.db2.gz IPMVRRBFHFJZSW-ACBHZAAOSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700632950 1414301294 /nfs/dbraw/zinc/30/12/94/1414301294.db2.gz DJKMRDWXIVRZAZ-KOMQPUFPSA-N 2 2 342.487 3.487 10 0 EGAELP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001700768979 1414446438 /nfs/dbraw/zinc/44/64/38/1414446438.db2.gz UBZGETBTIFGVCI-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001700852959 1414500078 /nfs/dbraw/zinc/50/00/78/1414500078.db2.gz DRDIKECTGFZNDU-MJGOQNOKSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCC(C)(C)C ZINC001700884213 1414542063 /nfs/dbraw/zinc/54/20/63/1414542063.db2.gz AWHYKUIVKVGBQN-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCC(C)(C)C ZINC001700884213 1414542065 /nfs/dbraw/zinc/54/20/65/1414542065.db2.gz AWHYKUIVKVGBQN-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001700974628 1414605780 /nfs/dbraw/zinc/60/57/80/1414605780.db2.gz YKVBTOGKQFYIET-UHFFFAOYSA-N 2 2 342.487 3.163 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001700974628 1414605787 /nfs/dbraw/zinc/60/57/87/1414605787.db2.gz YKVBTOGKQFYIET-UHFFFAOYSA-N 2 2 342.487 3.163 10 0 EGAELP CCCCC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001701010581 1414669615 /nfs/dbraw/zinc/66/96/15/1414669615.db2.gz DSXKOXJNRXGFPQ-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001732624749 1428888391 /nfs/dbraw/zinc/88/83/91/1428888391.db2.gz GTWCFNWRCGPMCT-IRXDYDNUSA-N 2 2 342.487 3.403 10 0 EGAELP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707134227 1417216468 /nfs/dbraw/zinc/21/64/68/1417216468.db2.gz MNWOTQRHHOEMDO-KDOFPFPSSA-N 2 2 328.460 3.193 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707228591 1417251807 /nfs/dbraw/zinc/25/18/07/1417251807.db2.gz SITQGERBACYQSK-SJORKVTESA-N 2 2 346.519 3.048 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707228591 1417251812 /nfs/dbraw/zinc/25/18/12/1417251812.db2.gz SITQGERBACYQSK-SJORKVTESA-N 2 2 346.519 3.048 10 0 EGAELP C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707384765 1417304758 /nfs/dbraw/zinc/30/47/58/1417304758.db2.gz FFOJPBOCZLENPF-OAHLLOKOSA-N 2 2 336.439 3.376 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707384765 1417304762 /nfs/dbraw/zinc/30/47/62/1417304762.db2.gz FFOJPBOCZLENPF-OAHLLOKOSA-N 2 2 336.439 3.376 10 0 EGAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001712975125 1417527656 /nfs/dbraw/zinc/52/76/56/1417527656.db2.gz QLBVYUXVOFLRAG-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1ccc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001712975125 1417527659 /nfs/dbraw/zinc/52/76/59/1417527659.db2.gz QLBVYUXVOFLRAG-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001712998627 1417551054 /nfs/dbraw/zinc/55/10/54/1417551054.db2.gz GHKXZLPHRYDAHA-ROUUACIJSA-N 2 2 348.535 3.459 10 0 EGAELP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713253716 1417849707 /nfs/dbraw/zinc/84/97/07/1417849707.db2.gz UJMODESVKBWWJJ-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713253716 1417849710 /nfs/dbraw/zinc/84/97/10/1417849710.db2.gz UJMODESVKBWWJJ-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001713539019 1418296534 /nfs/dbraw/zinc/29/65/34/1418296534.db2.gz XHNOZPBZZFBLAQ-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001713539019 1418296535 /nfs/dbraw/zinc/29/65/35/1418296535.db2.gz XHNOZPBZZFBLAQ-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001713638861 1418405906 /nfs/dbraw/zinc/40/59/06/1418405906.db2.gz WZWQDRGPTUNBQC-KRWDZBQOSA-N 2 2 342.487 3.206 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005344 1418785159 /nfs/dbraw/zinc/78/51/59/1418785159.db2.gz CRYFCODRAAQVFI-AWFCHZOYSA-N 2 2 326.444 3.066 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005344 1418785160 /nfs/dbraw/zinc/78/51/60/1418785160.db2.gz CRYFCODRAAQVFI-AWFCHZOYSA-N 2 2 326.444 3.066 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCCCCC1 ZINC001714111588 1418913235 /nfs/dbraw/zinc/91/32/35/1418913235.db2.gz BKTXAUOYBKOTEP-RDJZCZTQSA-N 2 2 334.508 3.043 10 0 EGAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCCCCC1 ZINC001714111588 1418913237 /nfs/dbraw/zinc/91/32/37/1418913237.db2.gz BKTXAUOYBKOTEP-RDJZCZTQSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@@H](CC(=O)NCCC1CC[NH+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001714330757 1419110243 /nfs/dbraw/zinc/11/02/43/1419110243.db2.gz WHIZCUJTFKJWRP-KRWDZBQOSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001714365944 1419125848 /nfs/dbraw/zinc/12/58/48/1419125848.db2.gz MAOQQIYSUZNTJU-UHFFFAOYSA-N 2 2 346.519 3.192 10 0 EGAELP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001714365944 1419125850 /nfs/dbraw/zinc/12/58/50/1419125850.db2.gz MAOQQIYSUZNTJU-UHFFFAOYSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714403415 1419145788 /nfs/dbraw/zinc/14/57/88/1419145788.db2.gz MVEFWISEASUIOF-HZPDHXFCSA-N 2 2 342.487 3.401 10 0 EGAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCCC1CCC1 ZINC001715056894 1419797020 /nfs/dbraw/zinc/79/70/20/1419797020.db2.gz LDTLHKWWVVTZBY-GOSISDBHSA-N 2 2 342.487 3.321 10 0 EGAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001715879970 1420380679 /nfs/dbraw/zinc/38/06/79/1420380679.db2.gz VUJGIQZCBOJHAK-KYVUIXNKSA-N 2 2 344.503 3.067 10 0 EGAELP O=C(NCC=CC[NH2+]CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716311046 1420600420 /nfs/dbraw/zinc/60/04/20/1420600420.db2.gz VEBPDCIBENNTEX-PLNGDYQASA-N 2 2 326.444 3.019 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CCCC3CCCC3)ccn12 ZINC001716395593 1420631899 /nfs/dbraw/zinc/63/18/99/1420631899.db2.gz XCMJFGCAYSAGBB-OAHLLOKOSA-N 2 2 342.487 3.321 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001716973955 1421058382 /nfs/dbraw/zinc/05/83/82/1421058382.db2.gz TULDKMPDYJPXTK-HOTGVXAUSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039174 1421093660 /nfs/dbraw/zinc/09/36/60/1421093660.db2.gz VYQCWNAISYICNB-MSOLQXFVSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039174 1421093663 /nfs/dbraw/zinc/09/36/63/1421093663.db2.gz VYQCWNAISYICNB-MSOLQXFVSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039175 1421093744 /nfs/dbraw/zinc/09/37/44/1421093744.db2.gz VYQCWNAISYICNB-QZTJIDSGSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039175 1421093745 /nfs/dbraw/zinc/09/37/45/1421093745.db2.gz VYQCWNAISYICNB-QZTJIDSGSA-N 2 2 346.519 3.165 10 0 EGAELP CCC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001717117095 1421121321 /nfs/dbraw/zinc/12/13/21/1421121321.db2.gz WIMIIOUSFQPZAF-OAHLLOKOSA-N 2 2 341.455 3.010 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001717129142 1421130236 /nfs/dbraw/zinc/13/02/36/1421130236.db2.gz ZZBRXJBSKBFRQL-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001717129142 1421130238 /nfs/dbraw/zinc/13/02/38/1421130238.db2.gz ZZBRXJBSKBFRQL-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001717217269 1421195571 /nfs/dbraw/zinc/19/55/71/1421195571.db2.gz PWXPRMZWKGNYIB-QZTJIDSGSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001717217269 1421195572 /nfs/dbraw/zinc/19/55/72/1421195572.db2.gz PWXPRMZWKGNYIB-QZTJIDSGSA-N 2 2 346.519 3.236 10 0 EGAELP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717240510 1421208874 /nfs/dbraw/zinc/20/88/74/1421208874.db2.gz AGAWYUZHPBHTNC-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCCC1CCC1 ZINC001717415235 1421346521 /nfs/dbraw/zinc/34/65/21/1421346521.db2.gz JBNAGOONLASAGF-KBPBESRZSA-N 2 2 328.460 3.240 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccns2)c(C)[nH+]1 ZINC001717677584 1421561922 /nfs/dbraw/zinc/56/19/22/1421561922.db2.gz FGJBDFHULZWVQR-ZDUSSCGKSA-N 2 2 346.500 3.152 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001717684922 1421565830 /nfs/dbraw/zinc/56/58/30/1421565830.db2.gz FTGJSUWLIRAAHE-SJORKVTESA-N 2 2 342.487 3.205 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001717724900 1421592669 /nfs/dbraw/zinc/59/26/69/1421592669.db2.gz YZJAIUUKYRXICE-PKOBYXMFSA-N 2 2 342.487 3.073 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001717903822 1421700209 /nfs/dbraw/zinc/70/02/09/1421700209.db2.gz ABGXLVXFOLVZSW-MSOLQXFVSA-N 2 2 348.535 3.172 10 0 EGAELP CCCCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001717962894 1421734260 /nfs/dbraw/zinc/73/42/60/1421734260.db2.gz MTCMYGAQBDDKST-INIZCTEOSA-N 2 2 336.524 3.237 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001717985528 1421758174 /nfs/dbraw/zinc/75/81/74/1421758174.db2.gz MXZAKGKDKYZOOR-HOTGVXAUSA-N 2 2 348.535 3.160 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001723840164 1424581949 /nfs/dbraw/zinc/58/19/49/1424581949.db2.gz AUPFJYQGXSZFOJ-CVEARBPZSA-N 2 2 334.508 3.138 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001723840164 1424581951 /nfs/dbraw/zinc/58/19/51/1424581951.db2.gz AUPFJYQGXSZFOJ-CVEARBPZSA-N 2 2 334.508 3.138 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001723948545 1424609476 /nfs/dbraw/zinc/60/94/76/1424609476.db2.gz ACRNOILOUYXMMH-MJGOQNOKSA-N 2 2 344.503 3.305 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724332161 1424826026 /nfs/dbraw/zinc/82/60/26/1424826026.db2.gz HIEICTJAFUULGV-PXNSSMCTSA-N 2 2 348.535 3.489 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724332161 1424826029 /nfs/dbraw/zinc/82/60/29/1424826029.db2.gz HIEICTJAFUULGV-PXNSSMCTSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001724541515 1424902533 /nfs/dbraw/zinc/90/25/33/1424902533.db2.gz XNNGSPCRMQMOFF-AEFFLSMTSA-N 2 2 329.488 3.413 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724551250 1424908264 /nfs/dbraw/zinc/90/82/64/1424908264.db2.gz ADXDVJQRZHENQQ-ZMJQMOPZSA-N 2 2 346.519 3.260 10 0 EGAELP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001724856129 1425229019 /nfs/dbraw/zinc/22/90/19/1425229019.db2.gz AGBXBGICHCXJML-UHFFFAOYSA-N 2 2 334.508 3.048 10 0 EGAELP CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001724856129 1425229021 /nfs/dbraw/zinc/22/90/21/1425229021.db2.gz AGBXBGICHCXJML-UHFFFAOYSA-N 2 2 334.508 3.048 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175465 1425691015 /nfs/dbraw/zinc/69/10/15/1425691015.db2.gz ZYPAFDBWCIZKFC-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175465 1425691018 /nfs/dbraw/zinc/69/10/18/1425691018.db2.gz ZYPAFDBWCIZKFC-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP CCCC[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725420537 1426069343 /nfs/dbraw/zinc/06/93/43/1426069343.db2.gz OCVMQLLZALDUHR-GOSISDBHSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725420537 1426069345 /nfs/dbraw/zinc/06/93/45/1426069345.db2.gz OCVMQLLZALDUHR-GOSISDBHSA-N 2 2 334.508 3.193 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001731488909 1427463486 /nfs/dbraw/zinc/46/34/86/1427463486.db2.gz VRLCOZXEKBEZLT-YSHGAJCASA-N 2 2 340.471 3.222 10 0 EGAELP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001731548275 1427564915 /nfs/dbraw/zinc/56/49/15/1427564915.db2.gz XPFJBQORTDMQNE-KRWDZBQOSA-N 2 2 334.508 3.088 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC1CCCC1 ZINC001731602598 1427645939 /nfs/dbraw/zinc/64/59/39/1427645939.db2.gz WFWMOPYISHCPOR-AWEZNQCLSA-N 2 2 328.460 3.241 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCCc2ccccc2)c(C)[nH+]1 ZINC001731605352 1427650250 /nfs/dbraw/zinc/65/02/50/1427650250.db2.gz CZUHTUQNUWDKLO-KRWDZBQOSA-N 2 2 339.483 3.348 10 0 EGAELP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709799 1427765504 /nfs/dbraw/zinc/76/55/04/1427765504.db2.gz FIJQYUMVWXLEEM-VGOKWCNXSA-N 2 2 340.471 3.227 10 0 EGAELP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709799 1427765507 /nfs/dbraw/zinc/76/55/07/1427765507.db2.gz FIJQYUMVWXLEEM-VGOKWCNXSA-N 2 2 340.471 3.227 10 0 EGAELP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001733695260 1429912973 /nfs/dbraw/zinc/91/29/73/1429912973.db2.gz WQWRVNKSWQINRN-SFHVURJKSA-N 2 2 346.519 3.195 10 0 EGAELP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001734014139 1437805240 /nfs/dbraw/zinc/80/52/40/1437805240.db2.gz XGWCMJJROAZNED-AATRIKPKSA-N 2 2 332.492 3.058 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001734060466 1437854131 /nfs/dbraw/zinc/85/41/31/1437854131.db2.gz URRIQRWEJLGHJG-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001734060466 1437854134 /nfs/dbraw/zinc/85/41/34/1437854134.db2.gz URRIQRWEJLGHJG-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@H](CCC[NH2+][C@H](C)c1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001734256304 1437971606 /nfs/dbraw/zinc/97/16/06/1437971606.db2.gz HGFCJOCINCPGJD-ZIAGYGMSSA-N 2 2 348.878 3.241 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482263 1438127585 /nfs/dbraw/zinc/12/75/85/1438127585.db2.gz NTHYZKNGQCYJDV-ZWKOTPCHSA-N 2 2 346.519 3.187 10 0 EGAELP CCCCCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001734500630 1438134702 /nfs/dbraw/zinc/13/47/02/1438134702.db2.gz KNYAFNAWAKXVSS-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001734614653 1438187480 /nfs/dbraw/zinc/18/74/80/1438187480.db2.gz XKFTYVUJDFWCAL-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001734614653 1438187481 /nfs/dbraw/zinc/18/74/81/1438187481.db2.gz XKFTYVUJDFWCAL-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cs1 ZINC000368104797 168311636 /nfs/dbraw/zinc/31/16/36/168311636.db2.gz JRIIVGDSGSDXLK-WCBMZHEXSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cs1 ZINC000368104797 168311638 /nfs/dbraw/zinc/31/16/38/168311638.db2.gz JRIIVGDSGSDXLK-WCBMZHEXSA-N 2 2 326.263 3.442 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000368464297 168359910 /nfs/dbraw/zinc/35/99/10/168359910.db2.gz DRFLGDJOGVWHNZ-DZFGPLHGSA-N 2 2 343.515 3.446 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230306873 201045143 /nfs/dbraw/zinc/04/51/43/201045143.db2.gz ZEAQXKUBBMSYAZ-SNVBAGLBSA-N 2 2 333.220 3.159 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230306873 201045145 /nfs/dbraw/zinc/04/51/45/201045145.db2.gz ZEAQXKUBBMSYAZ-SNVBAGLBSA-N 2 2 333.220 3.159 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000269058901 201231376 /nfs/dbraw/zinc/23/13/76/201231376.db2.gz ZYONQZKGZNYHHJ-PXNSSMCTSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000269058901 201231378 /nfs/dbraw/zinc/23/13/78/201231378.db2.gz ZYONQZKGZNYHHJ-PXNSSMCTSA-N 2 2 326.488 3.464 10 0 EGAELP Cc1ncc(C[NH+]2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)s1 ZINC000275733424 201286702 /nfs/dbraw/zinc/28/67/02/201286702.db2.gz PCXJCXGZHZSFME-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)s1 ZINC000275733424 201286706 /nfs/dbraw/zinc/28/67/06/201286706.db2.gz PCXJCXGZHZSFME-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)s1 ZINC000275733424 201286709 /nfs/dbraw/zinc/28/67/09/201286709.db2.gz PCXJCXGZHZSFME-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1ncc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)s1 ZINC000275733424 201286712 /nfs/dbraw/zinc/28/67/12/201286712.db2.gz PCXJCXGZHZSFME-KRWDZBQOSA-N 2 2 330.501 3.333 10 0 EGAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042615411 204116497 /nfs/dbraw/zinc/11/64/97/204116497.db2.gz YRONEPUIOUMILJ-MFKMUULPSA-N 2 2 347.322 3.257 10 0 EGAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042615411 204116500 /nfs/dbraw/zinc/11/65/00/204116500.db2.gz YRONEPUIOUMILJ-MFKMUULPSA-N 2 2 347.322 3.257 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000105896450 204178286 /nfs/dbraw/zinc/17/82/86/204178286.db2.gz PJCXPMMSLNYGNF-QGZVFWFLSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000105896450 204178290 /nfs/dbraw/zinc/17/82/90/204178290.db2.gz PJCXPMMSLNYGNF-QGZVFWFLSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000105922692 204180213 /nfs/dbraw/zinc/18/02/13/204180213.db2.gz MEYUIXNOJQPMSI-INIZCTEOSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000105922692 204180215 /nfs/dbraw/zinc/18/02/15/204180215.db2.gz MEYUIXNOJQPMSI-INIZCTEOSA-N 2 2 337.427 3.333 10 0 EGAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CCSC1 ZINC000042952982 204185584 /nfs/dbraw/zinc/18/55/84/204185584.db2.gz JVOYIVAQZXXFNV-HONMWMINSA-N 2 2 329.307 3.275 10 0 EGAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000042952982 204185587 /nfs/dbraw/zinc/18/55/87/204185587.db2.gz JVOYIVAQZXXFNV-HONMWMINSA-N 2 2 329.307 3.275 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000266017378 248033520 /nfs/dbraw/zinc/03/35/20/248033520.db2.gz VGQYRFSBKNYUCH-UKRRQHHQSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000266017378 248033525 /nfs/dbraw/zinc/03/35/25/248033525.db2.gz VGQYRFSBKNYUCH-UKRRQHHQSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000266017378 248033527 /nfs/dbraw/zinc/03/35/27/248033527.db2.gz VGQYRFSBKNYUCH-UKRRQHHQSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000266017378 248033531 /nfs/dbraw/zinc/03/35/31/248033531.db2.gz VGQYRFSBKNYUCH-UKRRQHHQSA-N 2 2 338.879 3.416 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176344743 207217196 /nfs/dbraw/zinc/21/71/96/207217196.db2.gz SFLPTCBXXQWHAW-QGZVFWFLSA-N 2 2 341.459 3.035 10 0 EGAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176344743 207217202 /nfs/dbraw/zinc/21/72/02/207217202.db2.gz SFLPTCBXXQWHAW-QGZVFWFLSA-N 2 2 341.459 3.035 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268834783 252282956 /nfs/dbraw/zinc/28/29/56/252282956.db2.gz GIIOCEGBXQBGFG-XLIONFOSSA-N 3 2 326.488 3.082 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268834783 252282961 /nfs/dbraw/zinc/28/29/61/252282961.db2.gz GIIOCEGBXQBGFG-XLIONFOSSA-N 3 2 326.488 3.082 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237433463 141001799 /nfs/dbraw/zinc/00/17/99/141001799.db2.gz UJUZWOLWQPTDRQ-UWWQBHOKSA-N 2 2 349.906 3.063 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921359 144012681 /nfs/dbraw/zinc/01/26/81/144012681.db2.gz ZTYCLPSJFOETKR-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000171921359 144012683 /nfs/dbraw/zinc/01/26/83/144012683.db2.gz ZTYCLPSJFOETKR-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000192141408 153244334 /nfs/dbraw/zinc/24/43/34/153244334.db2.gz UDILKCMPEYNSTI-UHFFFAOYSA-N 2 2 342.487 3.211 10 0 EGAELP CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000337395720 154331463 /nfs/dbraw/zinc/33/14/63/154331463.db2.gz PFDIROOEFHCMFQ-KRWDZBQOSA-N 2 2 327.476 3.206 10 0 EGAELP CCCn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000337395720 154331465 /nfs/dbraw/zinc/33/14/65/154331465.db2.gz PFDIROOEFHCMFQ-KRWDZBQOSA-N 2 2 327.476 3.206 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)o2)cc1 ZINC000365403559 157115569 /nfs/dbraw/zinc/11/55/69/157115569.db2.gz NYMPXVVGANLFBJ-INIZCTEOSA-N 2 2 329.444 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)o2)cc1 ZINC000365403559 157115572 /nfs/dbraw/zinc/11/55/72/157115572.db2.gz NYMPXVVGANLFBJ-INIZCTEOSA-N 2 2 329.444 3.266 10 0 EGAELP Clc1nccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1Cl ZINC000368666993 157257482 /nfs/dbraw/zinc/25/74/82/157257482.db2.gz OUVUEHUGABFVLO-UHFFFAOYSA-N 2 2 334.210 3.259 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCCO2 ZINC000247882103 292367595 /nfs/dbraw/zinc/36/75/95/292367595.db2.gz BWAVUKGFLGSVGU-JENIJYKNSA-N 2 2 332.488 3.298 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639730 162020373 /nfs/dbraw/zinc/02/03/73/162020373.db2.gz IZBOLHZBUFDNTI-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639730 162020377 /nfs/dbraw/zinc/02/03/77/162020377.db2.gz IZBOLHZBUFDNTI-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639730 162020379 /nfs/dbraw/zinc/02/03/79/162020379.db2.gz IZBOLHZBUFDNTI-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639730 162020381 /nfs/dbraw/zinc/02/03/81/162020381.db2.gz IZBOLHZBUFDNTI-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CCCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912069 164063938 /nfs/dbraw/zinc/06/39/38/164063938.db2.gz BUAICBMTCOHHGO-UXHICEINSA-N 2 2 345.531 3.450 10 0 EGAELP CCCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912069 164063940 /nfs/dbraw/zinc/06/39/40/164063940.db2.gz BUAICBMTCOHHGO-UXHICEINSA-N 2 2 345.531 3.450 10 0 EGAELP CCOC(=O)CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346129056 164344134 /nfs/dbraw/zinc/34/41/34/164344134.db2.gz FLJIEYRLPUPPRN-UHFFFAOYSA-N 2 2 333.457 3.099 10 0 EGAELP Cc1noc(C2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346178191 164357571 /nfs/dbraw/zinc/35/75/71/164357571.db2.gz ONMYXWPCVYIRGX-UHFFFAOYSA-N 2 2 329.429 3.005 10 0 EGAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572990 164399540 /nfs/dbraw/zinc/39/95/40/164399540.db2.gz YPXIQEHTZMNPFP-OXQOHEQNSA-N 2 2 342.462 3.415 10 0 EGAELP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572990 164399542 /nfs/dbraw/zinc/39/95/42/164399542.db2.gz YPXIQEHTZMNPFP-OXQOHEQNSA-N 2 2 342.462 3.415 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355895817 166340745 /nfs/dbraw/zinc/34/07/45/166340745.db2.gz LDNZIJOSISYVON-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355895817 166340747 /nfs/dbraw/zinc/34/07/47/166340747.db2.gz LDNZIJOSISYVON-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP Fc1ccc(/C=C/C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1F ZINC000367523140 168236509 /nfs/dbraw/zinc/23/65/09/168236509.db2.gz MQALMJROBWLXIM-HNQUOIGGSA-N 2 2 326.350 3.349 10 0 EGAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000367600844 168248244 /nfs/dbraw/zinc/24/82/44/168248244.db2.gz LGPWNUVMJLASMC-LJQANCHMSA-N 2 2 342.487 3.298 10 0 EGAELP COC(=O)c1csc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000367750690 168266367 /nfs/dbraw/zinc/26/63/67/168266367.db2.gz BIKRAOIZUTZTCW-ZDUSSCGKSA-N 2 2 345.468 3.249 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)c1ccccc1 ZINC000175721714 265132390 /nfs/dbraw/zinc/13/23/90/265132390.db2.gz ZNYRTUJFRJLTLJ-YSIASYRMSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)c1ccccc1 ZINC000175721714 265132392 /nfs/dbraw/zinc/13/23/92/265132392.db2.gz ZNYRTUJFRJLTLJ-YSIASYRMSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000175721714 265132395 /nfs/dbraw/zinc/13/23/95/265132395.db2.gz ZNYRTUJFRJLTLJ-YSIASYRMSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000175721714 265132397 /nfs/dbraw/zinc/13/23/97/265132397.db2.gz ZNYRTUJFRJLTLJ-YSIASYRMSA-N 2 2 345.531 3.306 10 0 EGAELP CC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647164 265695379 /nfs/dbraw/zinc/69/53/79/265695379.db2.gz ZJAFPZVJSRJPSM-HZPDHXFCSA-N 2 2 336.480 3.041 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281022692 275515137 /nfs/dbraw/zinc/51/51/37/275515137.db2.gz MKNOXTCBYPQLQD-OIISXLGYSA-N 2 2 327.428 3.255 10 0 EGAELP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000281190419 275528954 /nfs/dbraw/zinc/52/89/54/275528954.db2.gz JLECWTIDXHJNFG-KRWDZBQOSA-N 2 2 325.387 3.302 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767498 276213808 /nfs/dbraw/zinc/21/38/08/276213808.db2.gz LQIYBTRXEQSZEH-DZGCQCFKSA-N 2 2 349.548 3.385 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767498 276213809 /nfs/dbraw/zinc/21/38/09/276213809.db2.gz LQIYBTRXEQSZEH-DZGCQCFKSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767498 276213811 /nfs/dbraw/zinc/21/38/11/276213811.db2.gz LQIYBTRXEQSZEH-DZGCQCFKSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767498 276213812 /nfs/dbraw/zinc/21/38/12/276213812.db2.gz LQIYBTRXEQSZEH-DZGCQCFKSA-N 2 2 349.548 3.385 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237426554 290263466 /nfs/dbraw/zinc/26/34/66/290263466.db2.gz IGACKSKORSUGDW-BZUAXINKSA-N 2 2 349.906 3.063 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000151259337 307730649 /nfs/dbraw/zinc/73/06/49/307730649.db2.gz TZIAPXOJBKRLDP-QWHCGFSZSA-N 2 2 331.287 3.491 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918204 308079970 /nfs/dbraw/zinc/07/99/70/308079970.db2.gz HYFIZZHQOCOULP-IEBWSBKVSA-N 2 2 347.890 3.251 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918204 308079971 /nfs/dbraw/zinc/07/99/71/308079971.db2.gz HYFIZZHQOCOULP-IEBWSBKVSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918204 308079972 /nfs/dbraw/zinc/07/99/72/308079972.db2.gz HYFIZZHQOCOULP-IEBWSBKVSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918204 308079973 /nfs/dbraw/zinc/07/99/73/308079973.db2.gz HYFIZZHQOCOULP-IEBWSBKVSA-N 2 2 347.890 3.251 10 0 EGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000294939204 308274162 /nfs/dbraw/zinc/27/41/62/308274162.db2.gz JOATTXHKDRVMEI-HNNXBMFYSA-N 2 2 336.863 3.044 10 0 EGAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000294939204 308274163 /nfs/dbraw/zinc/27/41/63/308274163.db2.gz JOATTXHKDRVMEI-HNNXBMFYSA-N 2 2 336.863 3.044 10 0 EGAELP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414762353 309099268 /nfs/dbraw/zinc/09/92/68/309099268.db2.gz AYQKRBDCBJHBIS-KSSFIOAISA-N 2 2 326.440 3.292 10 0 EGAELP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414762353 309099269 /nfs/dbraw/zinc/09/92/69/309099269.db2.gz AYQKRBDCBJHBIS-KSSFIOAISA-N 2 2 326.440 3.292 10 0 EGAELP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825560 309104028 /nfs/dbraw/zinc/10/40/28/309104028.db2.gz COSVBMOXKSJKAL-FQEVSTJZSA-N 2 2 338.430 3.418 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827825 309104132 /nfs/dbraw/zinc/10/41/32/309104132.db2.gz HWHJAKCCGQUQAO-MSOLQXFVSA-N 2 2 328.456 3.315 10 0 EGAELP Brc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032889 309115464 /nfs/dbraw/zinc/11/54/64/309115464.db2.gz BFUBPJOEYYVXPH-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032889 309115465 /nfs/dbraw/zinc/11/54/65/309115465.db2.gz BFUBPJOEYYVXPH-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420402864 309286540 /nfs/dbraw/zinc/28/65/40/309286540.db2.gz QVXBHPRKDHFTBO-DNVCBOLYSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420402864 309286541 /nfs/dbraw/zinc/28/65/41/309286541.db2.gz QVXBHPRKDHFTBO-DNVCBOLYSA-N 2 2 344.890 3.490 10 0 EGAELP COCC[C@@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914151 309300706 /nfs/dbraw/zinc/30/07/06/309300706.db2.gz BXLGJPDDPMEFAB-IBGZPJMESA-N 2 2 346.515 3.157 10 0 EGAELP COCC[C@@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914151 309300707 /nfs/dbraw/zinc/30/07/07/309300707.db2.gz BXLGJPDDPMEFAB-IBGZPJMESA-N 2 2 346.515 3.157 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000422751303 309366539 /nfs/dbraw/zinc/36/65/39/309366539.db2.gz BFZGHCQNHIKACG-LEWSCRJBSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2OC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422763948 309367166 /nfs/dbraw/zinc/36/71/66/309367166.db2.gz PAININVDUJUDNV-PZJWPPBQSA-N 2 2 340.467 3.329 10 0 EGAELP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422866618 309372770 /nfs/dbraw/zinc/37/27/70/309372770.db2.gz QYOKVYGYIYWBEA-HNNXBMFYSA-N 2 2 329.444 3.069 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016373 309381118 /nfs/dbraw/zinc/38/11/18/309381118.db2.gz MNENGYHBTDTKRG-GYIHYUDTSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016373 309381119 /nfs/dbraw/zinc/38/11/19/309381119.db2.gz MNENGYHBTDTKRG-GYIHYUDTSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016373 309381120 /nfs/dbraw/zinc/38/11/20/309381120.db2.gz MNENGYHBTDTKRG-GYIHYUDTSA-N 2 2 339.886 3.345 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423061198 309383760 /nfs/dbraw/zinc/38/37/60/309383760.db2.gz KCFCAWCFWVFNQG-FZMZJTMJSA-N 2 2 327.266 3.078 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423062694 309383969 /nfs/dbraw/zinc/38/39/69/309383969.db2.gz NMIXWLVXWLPADS-SNVBAGLBSA-N 2 2 336.233 3.116 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cnn1C(C)(C)C ZINC000423186330 309389593 /nfs/dbraw/zinc/38/95/93/309389593.db2.gz LATTXZITYRCIPO-HNNXBMFYSA-N 2 2 329.492 3.172 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCC1 ZINC000423330683 309395642 /nfs/dbraw/zinc/39/56/42/309395642.db2.gz PQWQMCYRAXJUCP-ZDUSSCGKSA-N 2 2 325.250 3.134 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1Br ZINC000423556126 309406232 /nfs/dbraw/zinc/40/62/32/309406232.db2.gz MLUCSDUIERCDCY-DGCLKSJQSA-N 2 2 327.266 3.250 10 0 EGAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1c[nH+]cn1C(C)C ZINC000424164253 309431564 /nfs/dbraw/zinc/43/15/64/309431564.db2.gz YWPHFKWOFICWOQ-UHFFFAOYSA-N 2 2 327.476 3.136 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424345770 309439947 /nfs/dbraw/zinc/43/99/47/309439947.db2.gz IOSHQQJNVLJAFS-PNDFQMOFSA-N 2 2 332.488 3.091 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427893843 309537759 /nfs/dbraw/zinc/53/77/59/309537759.db2.gz JRIVOBHLWCQPEA-SWLSCSKDSA-N 2 2 336.361 3.279 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448330468 310001983 /nfs/dbraw/zinc/00/19/83/310001983.db2.gz DHCPRLRTKSBLOS-GCJKJVERSA-N 2 2 346.478 3.482 10 0 EGAELP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cs1 ZINC000449102288 310037220 /nfs/dbraw/zinc/03/72/20/310037220.db2.gz JLQKYOIGOUPCLR-UHFFFAOYSA-N 2 2 346.496 3.057 10 0 EGAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C[C@@H]2C1 ZINC000449285336 310050234 /nfs/dbraw/zinc/05/02/34/310050234.db2.gz DKEHLGDWTVLMMV-TXEJJXNPSA-N 2 2 335.423 3.082 10 0 EGAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)C[C@@H]2C1 ZINC000449285336 310050235 /nfs/dbraw/zinc/05/02/35/310050235.db2.gz DKEHLGDWTVLMMV-TXEJJXNPSA-N 2 2 335.423 3.082 10 0 EGAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)C[C@@H]2C1 ZINC000449285336 310050236 /nfs/dbraw/zinc/05/02/36/310050236.db2.gz DKEHLGDWTVLMMV-TXEJJXNPSA-N 2 2 335.423 3.082 10 0 EGAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)C[C@@H]2C1 ZINC000449285336 310050237 /nfs/dbraw/zinc/05/02/37/310050237.db2.gz DKEHLGDWTVLMMV-TXEJJXNPSA-N 2 2 335.423 3.082 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391841 310058247 /nfs/dbraw/zinc/05/82/47/310058247.db2.gz IMYYRUWOPUOSJX-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391841 310058248 /nfs/dbraw/zinc/05/82/48/310058248.db2.gz IMYYRUWOPUOSJX-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP CCc1ncc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)o1 ZINC000449612381 310075420 /nfs/dbraw/zinc/07/54/20/310075420.db2.gz LSVDCZJOVMPDJV-MRXNPFEDSA-N 2 2 327.472 3.422 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)ccc2[nH+]1 ZINC000449840150 310090087 /nfs/dbraw/zinc/09/00/87/310090087.db2.gz PACCPNDAKFEXLW-QGZVFWFLSA-N 2 2 326.444 3.378 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)ccc2[nH+]1 ZINC000449840150 310090088 /nfs/dbraw/zinc/09/00/88/310090088.db2.gz PACCPNDAKFEXLW-QGZVFWFLSA-N 2 2 326.444 3.378 10 0 EGAELP C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H]1C ZINC000449967327 310096465 /nfs/dbraw/zinc/09/64/65/310096465.db2.gz UDRAXAORHHAGHY-GUDVDZBRSA-N 2 2 349.563 3.125 10 0 EGAELP CCC[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449966097 310096494 /nfs/dbraw/zinc/09/64/94/310096494.db2.gz PCZNIQYQHVJHSM-RBUKOAKNSA-N 2 2 349.563 3.269 10 0 EGAELP COC(=O)c1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1Cl ZINC000450583670 310131504 /nfs/dbraw/zinc/13/15/04/310131504.db2.gz SPAUOEADGHYHTH-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2(OC)CCOCC2)[NH+](C)C)cc1 ZINC000453064496 310255469 /nfs/dbraw/zinc/25/54/69/310255469.db2.gz WOTOSOFYOZRJOW-QFBILLFUSA-N 2 2 334.504 3.025 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CCOCC1 ZINC000453113224 310258683 /nfs/dbraw/zinc/25/86/83/310258683.db2.gz QZKLYUKIISRAHL-IEBWSBKVSA-N 2 2 338.536 3.205 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CCOCC1 ZINC000453113224 310258684 /nfs/dbraw/zinc/25/86/84/310258684.db2.gz QZKLYUKIISRAHL-IEBWSBKVSA-N 2 2 338.536 3.205 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251797 310266773 /nfs/dbraw/zinc/26/67/73/310266773.db2.gz BMFBIOCSTSGFIG-ZFWWWQNUSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251797 310266774 /nfs/dbraw/zinc/26/67/74/310266774.db2.gz BMFBIOCSTSGFIG-ZFWWWQNUSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000453273250 310268343 /nfs/dbraw/zinc/26/83/43/310268343.db2.gz VNGJIDWYDOTMMO-LSDHHAIUSA-N 2 2 342.430 3.094 10 0 EGAELP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661578 310566958 /nfs/dbraw/zinc/56/69/58/310566958.db2.gz MNJTXWYVIAZVMD-NSHDSACASA-N 2 2 328.243 3.327 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000459672144 310567928 /nfs/dbraw/zinc/56/79/28/310567928.db2.gz XIODULCKRJIXQU-UHFFFAOYSA-N 2 2 349.360 3.161 10 0 EGAELP Cc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000480406049 310893911 /nfs/dbraw/zinc/89/39/11/310893911.db2.gz SXJBUJZHXYDAKF-SFHVURJKSA-N 2 2 339.487 3.191 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055339 311162192 /nfs/dbraw/zinc/16/21/92/311162192.db2.gz FVRDIQJBRLRASZ-ZWKOTPCHSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055339 311162194 /nfs/dbraw/zinc/16/21/94/311162194.db2.gz FVRDIQJBRLRASZ-ZWKOTPCHSA-N 2 2 337.552 3.268 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCCCCC1 ZINC000491058156 311162293 /nfs/dbraw/zinc/16/22/93/311162293.db2.gz NUIZVOQHIHEXIP-IBGZPJMESA-N 2 2 349.563 3.413 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCCCCC1 ZINC000491058156 311162295 /nfs/dbraw/zinc/16/22/95/311162295.db2.gz NUIZVOQHIHEXIP-IBGZPJMESA-N 2 2 349.563 3.413 10 0 EGAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(-c2ccccc2)nn1C ZINC000515778584 312297809 /nfs/dbraw/zinc/29/78/09/312297809.db2.gz WPKXPTHNZJYAOS-OAHLLOKOSA-N 2 2 335.455 3.471 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000516619129 312333414 /nfs/dbraw/zinc/33/34/14/312333414.db2.gz UYUAKFFXYYJCLW-UHFFFAOYSA-N 2 2 336.443 3.121 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000516619129 312333416 /nfs/dbraw/zinc/33/34/16/312333416.db2.gz UYUAKFFXYYJCLW-UHFFFAOYSA-N 2 2 336.443 3.121 10 0 EGAELP COc1cncc(/C=C/CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000516648352 312335451 /nfs/dbraw/zinc/33/54/51/312335451.db2.gz YPZLHSRYJBLDPN-ZZXKWVIFSA-N 2 2 338.455 3.465 10 0 EGAELP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650571 312335464 /nfs/dbraw/zinc/33/54/64/312335464.db2.gz PVFJALLKGVJQDE-SFHVURJKSA-N 2 2 338.879 3.323 10 0 EGAELP CCOc1c(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650571 312335465 /nfs/dbraw/zinc/33/54/65/312335465.db2.gz PVFJALLKGVJQDE-SFHVURJKSA-N 2 2 338.879 3.323 10 0 EGAELP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533531521 313916573 /nfs/dbraw/zinc/91/65/73/313916573.db2.gz KCEGULULDCQHGG-AWEZNQCLSA-N 2 2 345.878 3.079 10 0 EGAELP CCC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264358 314235549 /nfs/dbraw/zinc/23/55/49/314235549.db2.gz UGYGASXSPZLCHH-PMACEKPBSA-N 2 2 344.547 3.352 10 0 EGAELP CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264358 314235552 /nfs/dbraw/zinc/23/55/52/314235552.db2.gz UGYGASXSPZLCHH-PMACEKPBSA-N 2 2 344.547 3.352 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000539066098 314293636 /nfs/dbraw/zinc/29/36/36/314293636.db2.gz XBLYXEUJTNPBIY-JGGQBBKZSA-N 2 2 325.294 3.310 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000539066098 314293638 /nfs/dbraw/zinc/29/36/38/314293638.db2.gz XBLYXEUJTNPBIY-JGGQBBKZSA-N 2 2 325.294 3.310 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635799 315028666 /nfs/dbraw/zinc/02/86/66/315028666.db2.gz CHUHJLQJGWFYNW-CRAIPNDOSA-N 2 2 340.471 3.328 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(=O)[nH]n2)c(C)c1 ZINC000552063303 315195147 /nfs/dbraw/zinc/19/51/47/315195147.db2.gz VWQQJMJMOMCRLR-YJBOKZPZSA-N 2 2 337.427 3.088 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552228645 315207630 /nfs/dbraw/zinc/20/76/30/315207630.db2.gz LIRPGIHTVMHUAT-KZNAEPCWSA-N 2 2 344.503 3.185 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552228645 315207633 /nfs/dbraw/zinc/20/76/33/315207633.db2.gz LIRPGIHTVMHUAT-KZNAEPCWSA-N 2 2 344.503 3.185 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@H]3c3ccccc3)c2cc1C ZINC000552836874 315234402 /nfs/dbraw/zinc/23/44/02/315234402.db2.gz YSIJELGVODLDEG-QYZOEREBSA-N 2 2 335.451 3.160 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc4ccccc4[nH+]3)c2)CCO1 ZINC000555123561 315367481 /nfs/dbraw/zinc/36/74/81/315367481.db2.gz MPXWNFWNBCKUAG-QGZVFWFLSA-N 2 2 347.462 3.490 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc4ccccc4[nH+]3)c2)CCO1 ZINC000555123561 315367483 /nfs/dbraw/zinc/36/74/83/315367483.db2.gz MPXWNFWNBCKUAG-QGZVFWFLSA-N 2 2 347.462 3.490 10 0 EGAELP Clc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCO2 ZINC000564745392 316198710 /nfs/dbraw/zinc/19/87/10/316198710.db2.gz HHLZKXOVADHYMV-CQSZACIVSA-N 2 2 332.787 3.117 10 0 EGAELP Clc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCO2 ZINC000564745392 316198711 /nfs/dbraw/zinc/19/87/11/316198711.db2.gz HHLZKXOVADHYMV-CQSZACIVSA-N 2 2 332.787 3.117 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000571650474 317228691 /nfs/dbraw/zinc/22/86/91/317228691.db2.gz IJKKKZBEMWACSU-GFCCVEGCSA-N 2 2 327.457 3.140 10 0 EGAELP Fc1ccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644761 323244967 /nfs/dbraw/zinc/24/49/67/323244967.db2.gz UNEVMSUWJYHTJD-MRXNPFEDSA-N 2 2 329.419 3.424 10 0 EGAELP Fc1ccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644761 323244970 /nfs/dbraw/zinc/24/49/70/323244970.db2.gz UNEVMSUWJYHTJD-MRXNPFEDSA-N 2 2 329.419 3.424 10 0 EGAELP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc21 ZINC000181781983 323503239 /nfs/dbraw/zinc/50/32/39/323503239.db2.gz ATTYCUKVLIDRIY-CVEARBPZSA-N 2 2 346.471 3.450 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397978 324020483 /nfs/dbraw/zinc/02/04/83/324020483.db2.gz AWVUCBGJUVDJCE-FXAWDEMLSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397978 324020485 /nfs/dbraw/zinc/02/04/85/324020485.db2.gz AWVUCBGJUVDJCE-FXAWDEMLSA-N 2 2 328.500 3.446 10 0 EGAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000389972892 324282605 /nfs/dbraw/zinc/28/26/05/324282605.db2.gz YBUNDBAQYXYRSB-PWRODBHTSA-N 2 2 338.499 3.332 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579592346 325132196 /nfs/dbraw/zinc/13/21/96/325132196.db2.gz QCOWGFONFIHWKO-IAGOWNOFSA-N 2 2 328.485 3.312 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579592346 325132199 /nfs/dbraw/zinc/13/21/99/325132199.db2.gz QCOWGFONFIHWKO-IAGOWNOFSA-N 2 2 328.485 3.312 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000579809211 325161930 /nfs/dbraw/zinc/16/19/30/325161930.db2.gz DVUQPUUXVRRJLE-YWPYICTPSA-N 2 2 343.393 3.010 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655640 455219737 /nfs/dbraw/zinc/21/97/37/455219737.db2.gz ULYKGGWXNGANCC-WMZOPIPTSA-N 2 2 340.471 3.314 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000180935504 455266052 /nfs/dbraw/zinc/26/60/52/455266052.db2.gz GDXJAWTUAYWNGE-HZPDHXFCSA-N 2 2 327.428 3.266 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC1(C)C ZINC000623442572 460553319 /nfs/dbraw/zinc/55/33/19/460553319.db2.gz ULYHADAMRIWDFK-LJQANCHMSA-N 2 2 340.515 3.478 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC1(C)C ZINC000623442572 460553324 /nfs/dbraw/zinc/55/33/24/460553324.db2.gz ULYHADAMRIWDFK-LJQANCHMSA-N 2 2 340.515 3.478 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822782 460573225 /nfs/dbraw/zinc/57/32/25/460573225.db2.gz OIKGIKYZPLJFQC-VQIMIIECSA-N 2 2 341.455 3.314 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822782 460573229 /nfs/dbraw/zinc/57/32/29/460573229.db2.gz OIKGIKYZPLJFQC-VQIMIIECSA-N 2 2 341.455 3.314 10 0 EGAELP COc1cc[nH+]c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1OC ZINC000190512561 455335955 /nfs/dbraw/zinc/33/59/55/455335955.db2.gz ZDCPESFTQNVNHH-KRWDZBQOSA-N 2 2 347.503 3.187 10 0 EGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000159120356 455353672 /nfs/dbraw/zinc/35/36/72/455353672.db2.gz BCVJLGJWWSZGHA-DOXZYTNZSA-N 2 2 344.503 3.350 10 0 EGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000159120356 455353673 /nfs/dbraw/zinc/35/36/73/455353673.db2.gz BCVJLGJWWSZGHA-DOXZYTNZSA-N 2 2 344.503 3.350 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000038098192 453939394 /nfs/dbraw/zinc/93/93/94/453939394.db2.gz NONSLHGXYBSWEN-OAHLLOKOSA-N 2 2 339.277 3.347 10 0 EGAELP CCC[NH+](CCC)CCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000068516059 454032781 /nfs/dbraw/zinc/03/27/81/454032781.db2.gz XSSMMGVDVXFNSS-UHFFFAOYSA-N 2 2 346.519 3.069 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000088694889 454116322 /nfs/dbraw/zinc/11/63/22/454116322.db2.gz MQAZMBDIYCNECE-QAPCUYQASA-N 2 2 326.440 3.011 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000088694889 454116323 /nfs/dbraw/zinc/11/63/23/454116323.db2.gz MQAZMBDIYCNECE-QAPCUYQASA-N 2 2 326.440 3.011 10 0 EGAELP Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000057825393 454149549 /nfs/dbraw/zinc/14/95/49/454149549.db2.gz IEFMWIZZCDBMAW-IBGZPJMESA-N 2 2 347.466 3.432 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000095410381 454205221 /nfs/dbraw/zinc/20/52/21/454205221.db2.gz ULJNQYKYNNPXTB-APWZRJJASA-N 2 2 338.451 3.383 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000095410381 454205227 /nfs/dbraw/zinc/20/52/27/454205227.db2.gz ULJNQYKYNNPXTB-APWZRJJASA-N 2 2 338.451 3.383 10 0 EGAELP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121188282 454403784 /nfs/dbraw/zinc/40/37/84/454403784.db2.gz WZFUIKADODNQAW-UHFFFAOYSA-N 2 2 340.515 3.405 10 0 EGAELP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121188282 454403787 /nfs/dbraw/zinc/40/37/87/454403787.db2.gz WZFUIKADODNQAW-UHFFFAOYSA-N 2 2 340.515 3.405 10 0 EGAELP Cc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000623607935 460637904 /nfs/dbraw/zinc/63/79/04/460637904.db2.gz SCKRVRCYZULWEL-HNNXBMFYSA-N 2 2 342.405 3.305 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121897938 454490912 /nfs/dbraw/zinc/49/09/12/454490912.db2.gz DNSCSHXEUHXVQH-HNNXBMFYSA-N 2 2 341.377 3.159 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)C[C@H](C)O1 ZINC000606157840 460639609 /nfs/dbraw/zinc/63/96/09/460639609.db2.gz PHESYOPYFZFZNT-OKILXGFUSA-N 2 2 337.427 3.311 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)C[C@H](C)O1 ZINC000606157840 460639614 /nfs/dbraw/zinc/63/96/14/460639614.db2.gz PHESYOPYFZFZNT-OKILXGFUSA-N 2 2 337.427 3.311 10 0 EGAELP CCN(C(=O)[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000051925645 454642935 /nfs/dbraw/zinc/64/29/35/454642935.db2.gz RLRYGJOLQZLGPU-QGZVFWFLSA-N 2 2 335.536 3.116 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000080982995 454665533 /nfs/dbraw/zinc/66/55/33/454665533.db2.gz UZHFBHAXLKKBBA-GOEBONIOSA-N 2 2 327.476 3.357 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000080982995 454665537 /nfs/dbraw/zinc/66/55/37/454665537.db2.gz UZHFBHAXLKKBBA-GOEBONIOSA-N 2 2 327.476 3.357 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000161633687 454709369 /nfs/dbraw/zinc/70/93/69/454709369.db2.gz OUNUKEYAAJEWFD-CQSZACIVSA-N 2 2 347.894 3.446 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182243097 455470069 /nfs/dbraw/zinc/47/00/69/455470069.db2.gz FYIXVRHYLKGDSE-KRWDZBQOSA-N 2 2 329.419 3.495 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182243097 455470073 /nfs/dbraw/zinc/47/00/73/455470073.db2.gz FYIXVRHYLKGDSE-KRWDZBQOSA-N 2 2 329.419 3.495 10 0 EGAELP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000150891203 454908978 /nfs/dbraw/zinc/90/89/78/454908978.db2.gz UAAZHKDTKDPNMP-GOSISDBHSA-N 2 2 337.471 3.302 10 0 EGAELP Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000170645417 454948739 /nfs/dbraw/zinc/94/87/39/454948739.db2.gz IIIMAYRIUQBBOV-KRWDZBQOSA-N 2 2 337.427 3.018 10 0 EGAELP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000170645417 454948743 /nfs/dbraw/zinc/94/87/43/454948743.db2.gz IIIMAYRIUQBBOV-KRWDZBQOSA-N 2 2 337.427 3.018 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000151343726 454972022 /nfs/dbraw/zinc/97/20/22/454972022.db2.gz HAQREFXFTAHPNQ-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000155401272 454997379 /nfs/dbraw/zinc/99/73/79/454997379.db2.gz XUUMQBWDRMAKNZ-HZPDHXFCSA-N 2 2 339.439 3.347 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129768405 455125096 /nfs/dbraw/zinc/12/50/96/455125096.db2.gz ZAZMHOIBDBPBJN-RDTXWAMCSA-N 2 2 328.460 3.087 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129768405 455125100 /nfs/dbraw/zinc/12/51/00/455125100.db2.gz ZAZMHOIBDBPBJN-RDTXWAMCSA-N 2 2 328.460 3.087 10 0 EGAELP FC(F)(F)c1cccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182813622 455170495 /nfs/dbraw/zinc/17/04/95/455170495.db2.gz QLGBFCWTOICIDE-MRXNPFEDSA-N 2 2 339.361 3.366 10 0 EGAELP FC(F)(F)c1cccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182813622 455170498 /nfs/dbraw/zinc/17/04/98/455170498.db2.gz QLGBFCWTOICIDE-MRXNPFEDSA-N 2 2 339.361 3.366 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438597 455299718 /nfs/dbraw/zinc/29/97/18/455299718.db2.gz SFFZKKSIBTYVKJ-WFASDCNBSA-N 2 2 347.488 3.014 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438597 455299720 /nfs/dbraw/zinc/29/97/20/455299720.db2.gz SFFZKKSIBTYVKJ-WFASDCNBSA-N 2 2 347.488 3.014 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438597 455299722 /nfs/dbraw/zinc/29/97/22/455299722.db2.gz SFFZKKSIBTYVKJ-WFASDCNBSA-N 2 2 347.488 3.014 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438597 455299726 /nfs/dbraw/zinc/29/97/26/455299726.db2.gz SFFZKKSIBTYVKJ-WFASDCNBSA-N 2 2 347.488 3.014 10 0 EGAELP Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000245557450 455329414 /nfs/dbraw/zinc/32/94/14/455329414.db2.gz AVDFOHGDPBDEIO-LIRRHRJNSA-N 2 2 340.471 3.402 10 0 EGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000245557450 455329417 /nfs/dbraw/zinc/32/94/17/455329417.db2.gz AVDFOHGDPBDEIO-LIRRHRJNSA-N 2 2 340.471 3.402 10 0 EGAELP Cn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2cc(Cl)ccc21 ZINC000265487901 455333603 /nfs/dbraw/zinc/33/36/03/455333603.db2.gz MPGILPKOYQQGIN-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(F)cc1Cl ZINC000265555104 455342276 /nfs/dbraw/zinc/34/22/76/455342276.db2.gz ZGFAFTIWFORMKE-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270833 455461756 /nfs/dbraw/zinc/46/17/56/455461756.db2.gz ADSOOPNRNNHGPE-RXVVDRJESA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246270833 455461759 /nfs/dbraw/zinc/46/17/59/455461759.db2.gz ADSOOPNRNNHGPE-RXVVDRJESA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270833 455461763 /nfs/dbraw/zinc/46/17/63/455461763.db2.gz ADSOOPNRNNHGPE-RXVVDRJESA-N 2 2 336.483 3.321 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270833 455461765 /nfs/dbraw/zinc/46/17/65/455461765.db2.gz ADSOOPNRNNHGPE-RXVVDRJESA-N 2 2 336.483 3.321 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885114 455468995 /nfs/dbraw/zinc/46/89/95/455468995.db2.gz ZWANVPKOYYGIFJ-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885114 455468998 /nfs/dbraw/zinc/46/89/98/455468998.db2.gz ZWANVPKOYYGIFJ-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885114 455469000 /nfs/dbraw/zinc/46/90/00/455469000.db2.gz ZWANVPKOYYGIFJ-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000266885114 455469003 /nfs/dbraw/zinc/46/90/03/455469003.db2.gz ZWANVPKOYYGIFJ-OXJNMPFZSA-N 2 2 339.483 3.440 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000192107755 455557892 /nfs/dbraw/zinc/55/78/92/455557892.db2.gz ZDDPBDBJMMRDQA-SFHVURJKSA-N 2 2 327.428 3.097 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000192107755 455557894 /nfs/dbraw/zinc/55/78/94/455557894.db2.gz ZDDPBDBJMMRDQA-SFHVURJKSA-N 2 2 327.428 3.097 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122947 455562885 /nfs/dbraw/zinc/56/28/85/455562885.db2.gz AMNIKKSRUVHDSA-AHSZXGJYSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000247122947 455562891 /nfs/dbraw/zinc/56/28/91/455562891.db2.gz AMNIKKSRUVHDSA-AHSZXGJYSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000247122947 455562898 /nfs/dbraw/zinc/56/28/98/455562898.db2.gz AMNIKKSRUVHDSA-AHSZXGJYSA-N 3 2 327.516 3.254 10 0 EGAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000248050610 455674266 /nfs/dbraw/zinc/67/42/66/455674266.db2.gz NTAZQTCKVYRAGA-WOJBJXKFSA-N 2 2 346.434 3.048 10 0 EGAELP C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000248050610 455674269 /nfs/dbraw/zinc/67/42/69/455674269.db2.gz NTAZQTCKVYRAGA-WOJBJXKFSA-N 2 2 346.434 3.048 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573729 455688776 /nfs/dbraw/zinc/68/87/76/455688776.db2.gz ZBCUEEQQHWYEGS-XLIONFOSSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573729 455688781 /nfs/dbraw/zinc/68/87/81/455688781.db2.gz ZBCUEEQQHWYEGS-XLIONFOSSA-N 2 2 338.499 3.148 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248180325 455695703 /nfs/dbraw/zinc/69/57/03/455695703.db2.gz WIRLAGKRYFOECH-OQIJWPOYSA-N 2 2 331.504 3.085 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248180325 455695706 /nfs/dbraw/zinc/69/57/06/455695706.db2.gz WIRLAGKRYFOECH-OQIJWPOYSA-N 2 2 331.504 3.085 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000292733044 455743755 /nfs/dbraw/zinc/74/37/55/455743755.db2.gz GLOHIBHNNCESCF-UHFFFAOYSA-N 2 2 348.462 3.210 10 0 EGAELP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540293 460693322 /nfs/dbraw/zinc/69/33/22/460693322.db2.gz GGFPECGJFJTTQV-DENIHFKCSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000606540293 460693328 /nfs/dbraw/zinc/69/33/28/460693328.db2.gz GGFPECGJFJTTQV-DENIHFKCSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000606540293 460693335 /nfs/dbraw/zinc/69/33/35/460693335.db2.gz GGFPECGJFJTTQV-DENIHFKCSA-N 2 2 340.511 3.351 10 0 EGAELP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000606540293 460693340 /nfs/dbraw/zinc/69/33/40/460693340.db2.gz GGFPECGJFJTTQV-DENIHFKCSA-N 2 2 340.511 3.351 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000296249096 455890684 /nfs/dbraw/zinc/89/06/84/455890684.db2.gz CYRWBOHONNXZHU-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000296249096 455890685 /nfs/dbraw/zinc/89/06/85/455890685.db2.gz CYRWBOHONNXZHU-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP CC1CCC([NH+]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000606581553 460700173 /nfs/dbraw/zinc/70/01/73/460700173.db2.gz IECBZBRUMBAXJB-UHFFFAOYSA-N 2 2 341.459 3.063 10 0 EGAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583518 460701557 /nfs/dbraw/zinc/70/15/57/460701557.db2.gz DVIACERBSWMRTO-OAHLLOKOSA-N 2 2 343.475 3.356 10 0 EGAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583518 460701560 /nfs/dbraw/zinc/70/15/60/460701560.db2.gz DVIACERBSWMRTO-OAHLLOKOSA-N 2 2 343.475 3.356 10 0 EGAELP Cc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195286542 455941594 /nfs/dbraw/zinc/94/15/94/455941594.db2.gz MNQKZPNISOXSRA-FQEVSTJZSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195286542 455941599 /nfs/dbraw/zinc/94/15/99/455941599.db2.gz MNQKZPNISOXSRA-FQEVSTJZSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286542 455941605 /nfs/dbraw/zinc/94/16/05/455941605.db2.gz MNQKZPNISOXSRA-FQEVSTJZSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286542 455941610 /nfs/dbraw/zinc/94/16/10/455941610.db2.gz MNQKZPNISOXSRA-FQEVSTJZSA-N 2 2 339.483 3.223 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccsc1 ZINC000261925767 455973504 /nfs/dbraw/zinc/97/35/04/455973504.db2.gz CDLXDXNAZBZQDO-UHFFFAOYSA-N 2 2 326.469 3.142 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccsc1 ZINC000261925767 455973509 /nfs/dbraw/zinc/97/35/09/455973509.db2.gz CDLXDXNAZBZQDO-UHFFFAOYSA-N 2 2 326.469 3.142 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188210198 456021290 /nfs/dbraw/zinc/02/12/90/456021290.db2.gz CQKYNHMRMBFTEX-HACGYAERSA-N 2 2 328.859 3.344 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188210198 456021295 /nfs/dbraw/zinc/02/12/95/456021295.db2.gz CQKYNHMRMBFTEX-HACGYAERSA-N 2 2 328.859 3.344 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(C)ccc1O ZINC000271169498 456152869 /nfs/dbraw/zinc/15/28/69/456152869.db2.gz DKJGAWLTBOXVMS-MRXNPFEDSA-N 2 2 336.439 3.418 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc(C)ccc1O ZINC000271169498 456152875 /nfs/dbraw/zinc/15/28/75/456152875.db2.gz DKJGAWLTBOXVMS-MRXNPFEDSA-N 2 2 336.439 3.418 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289853037 456156523 /nfs/dbraw/zinc/15/65/23/456156523.db2.gz PTZWINBAGXDXGZ-LJQANCHMSA-N 2 2 344.434 3.238 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000289853037 456156527 /nfs/dbraw/zinc/15/65/27/456156527.db2.gz PTZWINBAGXDXGZ-LJQANCHMSA-N 2 2 344.434 3.238 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000297777355 456292417 /nfs/dbraw/zinc/29/24/17/456292417.db2.gz MNDYGRSAZXHNJG-AWEZNQCLSA-N 2 2 330.501 3.178 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000297777355 456292424 /nfs/dbraw/zinc/29/24/24/456292424.db2.gz MNDYGRSAZXHNJG-AWEZNQCLSA-N 2 2 330.501 3.178 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795796 456317367 /nfs/dbraw/zinc/31/73/67/456317367.db2.gz FPHYQODFICDYAD-LJQANCHMSA-N 2 2 344.499 3.402 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795796 456317371 /nfs/dbraw/zinc/31/73/71/456317371.db2.gz FPHYQODFICDYAD-LJQANCHMSA-N 2 2 344.499 3.402 10 0 EGAELP COc1cccc(OC)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000352810508 456328806 /nfs/dbraw/zinc/32/88/06/456328806.db2.gz CYABNRNKIFEUCL-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP c1cn(C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)c[nH+]1 ZINC000352868925 456376533 /nfs/dbraw/zinc/37/65/33/456376533.db2.gz VHRFJDHEKVZILG-UHFFFAOYSA-N 2 2 325.441 3.239 10 0 EGAELP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994871 456385028 /nfs/dbraw/zinc/38/50/28/456385028.db2.gz IKXLSIIHVHSEOB-UKRRQHHQSA-N 2 2 341.459 3.420 10 0 EGAELP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994871 456385037 /nfs/dbraw/zinc/38/50/37/456385037.db2.gz IKXLSIIHVHSEOB-UKRRQHHQSA-N 2 2 341.459 3.420 10 0 EGAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282074023 456406230 /nfs/dbraw/zinc/40/62/30/456406230.db2.gz NNUPHDJZHGBNMQ-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282074023 456406236 /nfs/dbraw/zinc/40/62/36/456406236.db2.gz NNUPHDJZHGBNMQ-MRXNPFEDSA-N 2 2 327.476 3.376 10 0 EGAELP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282242558 456452515 /nfs/dbraw/zinc/45/25/15/456452515.db2.gz AQJAVLYEHYOTBY-QGZVFWFLSA-N 2 2 341.503 3.432 10 0 EGAELP CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282242558 456452522 /nfs/dbraw/zinc/45/25/22/456452522.db2.gz AQJAVLYEHYOTBY-QGZVFWFLSA-N 2 2 341.503 3.432 10 0 EGAELP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000348074550 456458857 /nfs/dbraw/zinc/45/88/57/456458857.db2.gz MCRRHZJBZPHQIS-HZPDHXFCSA-N 2 2 339.361 3.131 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000340472279 456479749 /nfs/dbraw/zinc/47/97/49/456479749.db2.gz IACWVWSAPSAMCR-QGZVFWFLSA-N 2 2 339.483 3.448 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000353106209 456492373 /nfs/dbraw/zinc/49/23/73/456492373.db2.gz BKDWCRCYWNVKON-IBGZPJMESA-N 2 2 337.423 3.040 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c2)cn1 ZINC000348184482 456521176 /nfs/dbraw/zinc/52/11/76/456521176.db2.gz GYJBAULNOSTQFX-UHFFFAOYSA-N 2 2 349.463 3.468 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c[nH+]1 ZINC000348184482 456521183 /nfs/dbraw/zinc/52/11/83/456521183.db2.gz GYJBAULNOSTQFX-UHFFFAOYSA-N 3 2 349.463 3.468 10 0 EGAELP CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348390172 456661467 /nfs/dbraw/zinc/66/14/67/456661467.db2.gz JNOLQWHDDDYFDQ-ZDUSSCGKSA-N 2 2 332.473 3.089 10 0 EGAELP CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348390172 456661476 /nfs/dbraw/zinc/66/14/76/456661476.db2.gz JNOLQWHDDDYFDQ-ZDUSSCGKSA-N 2 2 332.473 3.089 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH+]2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000343519098 456676911 /nfs/dbraw/zinc/67/69/11/456676911.db2.gz COXDWTHHBSKQNS-KRWDZBQOSA-N 2 2 326.488 3.422 10 0 EGAELP c1ccc2nc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000343572784 456716217 /nfs/dbraw/zinc/71/62/17/456716217.db2.gz PNUCKNKRQVNHIY-UHFFFAOYSA-N 2 2 332.451 3.384 10 0 EGAELP Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc(-c2cccnc2)[nH+]1 ZINC000301120138 456801106 /nfs/dbraw/zinc/80/11/06/456801106.db2.gz RBTAGCWGAFYKBR-IBGZPJMESA-N 2 2 347.466 3.432 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000353803153 456914431 /nfs/dbraw/zinc/91/44/31/456914431.db2.gz OZMSFSSZYRWKLK-GOSISDBHSA-N 2 2 344.503 3.217 10 0 EGAELP CCC[NH+](CCC)CCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000349462207 456972801 /nfs/dbraw/zinc/97/28/01/456972801.db2.gz RQZWAXBJQHBFTD-UHFFFAOYSA-N 2 2 331.464 3.276 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349563166 456987613 /nfs/dbraw/zinc/98/76/13/456987613.db2.gz GXVWGZJOEWXPLS-JXFKEZNVSA-N 2 2 335.455 3.048 10 0 EGAELP Cc1[nH+]c2ccccn2c1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349841405 457073831 /nfs/dbraw/zinc/07/38/31/457073831.db2.gz VRTRSNFGKHUNRZ-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1[nH+]c2ccccn2c1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349841405 457073836 /nfs/dbraw/zinc/07/38/36/457073836.db2.gz VRTRSNFGKHUNRZ-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP CN(C)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000342190006 457159526 /nfs/dbraw/zinc/15/95/26/457159526.db2.gz JBAHCKRIAMMQCQ-GOSISDBHSA-N 2 2 344.459 3.465 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339735944 457240649 /nfs/dbraw/zinc/24/06/49/457240649.db2.gz DGRFCVSGHHYMII-LJQANCHMSA-N 2 2 327.472 3.458 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000363477747 457343129 /nfs/dbraw/zinc/34/31/29/457343129.db2.gz ARYYMJRCFVBSJJ-INIZCTEOSA-N 2 2 329.448 3.459 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000363477747 457343136 /nfs/dbraw/zinc/34/31/36/457343136.db2.gz ARYYMJRCFVBSJJ-INIZCTEOSA-N 2 2 329.448 3.459 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896446 457418556 /nfs/dbraw/zinc/41/85/56/457418556.db2.gz GZIXLTGHRLTQFD-MOPGFXCFSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896446 457418565 /nfs/dbraw/zinc/41/85/65/457418565.db2.gz GZIXLTGHRLTQFD-MOPGFXCFSA-N 2 2 337.552 3.268 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000397849542 457492905 /nfs/dbraw/zinc/49/29/05/457492905.db2.gz GNJFJBBVPYHXQV-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000397849542 457492911 /nfs/dbraw/zinc/49/29/11/457492911.db2.gz GNJFJBBVPYHXQV-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Cl ZINC000374198268 457519921 /nfs/dbraw/zinc/51/99/21/457519921.db2.gz MTELPAXTEBPSLN-ZDUSSCGKSA-N 2 2 346.862 3.120 10 0 EGAELP CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352757162 457586404 /nfs/dbraw/zinc/58/64/04/457586404.db2.gz FMOCFQAYIFNTJT-QGZVFWFLSA-N 2 2 349.544 3.047 10 0 EGAELP CC[C@@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352757162 457586406 /nfs/dbraw/zinc/58/64/06/457586406.db2.gz FMOCFQAYIFNTJT-QGZVFWFLSA-N 2 2 349.544 3.047 10 0 EGAELP CNC(=O)[C@H]1CCCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361285080 457679257 /nfs/dbraw/zinc/67/92/57/457679257.db2.gz BPOZRYDGYBHZJD-LJQANCHMSA-N 2 2 342.487 3.116 10 0 EGAELP CNC(=O)[C@H]1CCCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361285080 457679259 /nfs/dbraw/zinc/67/92/59/457679259.db2.gz BPOZRYDGYBHZJD-LJQANCHMSA-N 2 2 342.487 3.116 10 0 EGAELP Cc1c[nH+]ccc1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364727658 457681372 /nfs/dbraw/zinc/68/13/72/457681372.db2.gz GMRCJPJZHVPYIK-INIZCTEOSA-N 2 2 338.455 3.257 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077701 457753814 /nfs/dbraw/zinc/75/38/14/457753814.db2.gz SNBLOKMSKGSSNU-PKOBYXMFSA-N 2 2 328.500 3.039 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077701 457753823 /nfs/dbraw/zinc/75/38/23/457753823.db2.gz SNBLOKMSKGSSNU-PKOBYXMFSA-N 2 2 328.500 3.039 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000361519016 457767020 /nfs/dbraw/zinc/76/70/20/457767020.db2.gz MCAWVVSMCIGJHP-ZDUSSCGKSA-N 2 2 333.382 3.252 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271286 457901568 /nfs/dbraw/zinc/90/15/68/457901568.db2.gz XVBKMIAXIFCJPE-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271286 457901574 /nfs/dbraw/zinc/90/15/74/457901574.db2.gz XVBKMIAXIFCJPE-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298911 457919009 /nfs/dbraw/zinc/91/90/09/457919009.db2.gz MMKDPHQWOVAPAJ-UZLBHIALSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000358298911 457919013 /nfs/dbraw/zinc/91/90/13/457919013.db2.gz MMKDPHQWOVAPAJ-UZLBHIALSA-N 2 2 334.467 3.124 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894937 457938510 /nfs/dbraw/zinc/93/85/10/457938510.db2.gz RLBBOAOQDSYFFQ-KZNAEPCWSA-N 2 2 338.536 3.061 10 0 EGAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829250 458233259 /nfs/dbraw/zinc/23/32/59/458233259.db2.gz FRCCDMORJMLXSV-IIDMSEBBSA-N 2 2 330.451 3.491 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459376081 458349552 /nfs/dbraw/zinc/34/95/52/458349552.db2.gz ZSYHRVZXLMLGAJ-NSHDSACASA-N 2 2 344.406 3.318 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459376081 458349556 /nfs/dbraw/zinc/34/95/56/458349556.db2.gz ZSYHRVZXLMLGAJ-NSHDSACASA-N 2 2 344.406 3.318 10 0 EGAELP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439305 458371248 /nfs/dbraw/zinc/37/12/48/458371248.db2.gz KMWCYKCSGDOTCF-OALUTQOASA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439305 458371250 /nfs/dbraw/zinc/37/12/50/458371250.db2.gz KMWCYKCSGDOTCF-OALUTQOASA-N 2 2 333.907 3.302 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423506753 458446159 /nfs/dbraw/zinc/44/61/59/458446159.db2.gz PJBGEAYFAIHDKY-FOIQADDNSA-N 2 2 335.455 3.180 10 0 EGAELP CC(C)n1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000377042574 458447791 /nfs/dbraw/zinc/44/77/91/458447791.db2.gz VTNWBIQJBKRLRV-QGZVFWFLSA-N 2 2 333.524 3.336 10 0 EGAELP CC(C)n1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000377042574 458447795 /nfs/dbraw/zinc/44/77/95/458447795.db2.gz VTNWBIQJBKRLRV-QGZVFWFLSA-N 2 2 333.524 3.336 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518960 458450440 /nfs/dbraw/zinc/45/04/40/458450440.db2.gz CVOCRPNTHMLEAK-VQTJNVASSA-N 3 2 327.516 3.148 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486106 458506322 /nfs/dbraw/zinc/50/63/22/458506322.db2.gz QNORORVPMJTYNX-GYXIZQIFSA-N 3 2 345.453 3.008 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486106 458506329 /nfs/dbraw/zinc/50/63/29/458506329.db2.gz QNORORVPMJTYNX-GYXIZQIFSA-N 3 2 345.453 3.008 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424274086 458601444 /nfs/dbraw/zinc/60/14/44/458601444.db2.gz VDZFQAQYKJNGGB-UONOGXRCSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424274086 458601449 /nfs/dbraw/zinc/60/14/49/458601449.db2.gz VDZFQAQYKJNGGB-UONOGXRCSA-N 2 2 326.868 3.110 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378059707 458615794 /nfs/dbraw/zinc/61/57/94/458615794.db2.gz OGZMSDLPVXDBFV-UHFFFAOYSA-N 2 2 340.471 3.353 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000462783684 458653586 /nfs/dbraw/zinc/65/35/86/458653586.db2.gz UFLYQRNKFFNHND-BURNTYAHSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000462783684 458653591 /nfs/dbraw/zinc/65/35/91/458653591.db2.gz UFLYQRNKFFNHND-BURNTYAHSA-N 2 2 328.500 3.446 10 0 EGAELP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530223976 458721564 /nfs/dbraw/zinc/72/15/64/458721564.db2.gz JMSYASPGOUQDAD-NSHDSACASA-N 2 2 333.220 3.205 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3C[C@H]3c3ccsc3)c2cc1C ZINC000530245070 458728936 /nfs/dbraw/zinc/72/89/36/458728936.db2.gz SVFIZTWEPCTWQC-YESZJQIVSA-N 2 2 341.480 3.221 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000456686312 458750821 /nfs/dbraw/zinc/75/08/21/458750821.db2.gz DZBZOGUMVQBFBS-UHFFFAOYSA-N 2 2 342.487 3.307 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322599 458857486 /nfs/dbraw/zinc/85/74/86/458857486.db2.gz UCAYDAOSBSVVOA-ROUUACIJSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322599 458857493 /nfs/dbraw/zinc/85/74/93/458857493.db2.gz UCAYDAOSBSVVOA-ROUUACIJSA-N 2 2 349.438 3.210 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532239714 459052302 /nfs/dbraw/zinc/05/23/02/459052302.db2.gz WXAXSWQQZIIQHO-OLZOCXBDSA-N 2 2 343.284 3.451 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532239714 459052304 /nfs/dbraw/zinc/05/23/04/459052304.db2.gz WXAXSWQQZIIQHO-OLZOCXBDSA-N 2 2 343.284 3.451 10 0 EGAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)o1 ZINC000594605682 459108966 /nfs/dbraw/zinc/10/89/66/459108966.db2.gz AQQLCZBHMMTSDQ-UHFFFAOYSA-N 2 2 334.460 3.261 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C2CC(C(=O)OC)C2)CC1 ZINC000521396527 459147283 /nfs/dbraw/zinc/14/72/83/459147283.db2.gz QLXBIOOPQMIEJO-UHFFFAOYSA-N 2 2 341.455 3.187 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567851445 459177646 /nfs/dbraw/zinc/17/76/46/459177646.db2.gz IBUDUSDBBHYHTB-LJQANCHMSA-N 3 2 327.516 3.258 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567851445 459177654 /nfs/dbraw/zinc/17/76/54/459177654.db2.gz IBUDUSDBBHYHTB-LJQANCHMSA-N 3 2 327.516 3.258 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567852054 459177888 /nfs/dbraw/zinc/17/78/88/459177888.db2.gz KVFNCXZYPVNZBH-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567852054 459177894 /nfs/dbraw/zinc/17/78/94/459177894.db2.gz KVFNCXZYPVNZBH-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000594956823 459192336 /nfs/dbraw/zinc/19/23/36/459192336.db2.gz OHFWESAROIERII-JCHJZTRSSA-N 2 2 341.455 3.028 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+]CC3(C(=O)OC(C)(C)C)CCC3)n2c1 ZINC000594994236 459208590 /nfs/dbraw/zinc/20/85/90/459208590.db2.gz IUZMUFULDBFVNY-UHFFFAOYSA-N 2 2 329.444 3.244 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000595056189 459230706 /nfs/dbraw/zinc/23/07/06/459230706.db2.gz CKHRYOWWPMZPGY-SJLPKXTDSA-N 2 2 330.472 3.313 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000595056189 459230707 /nfs/dbraw/zinc/23/07/07/459230707.db2.gz CKHRYOWWPMZPGY-SJLPKXTDSA-N 2 2 330.472 3.313 10 0 EGAELP Cc1ccc(C)c([C@H]2C[N@H+](CCCc3c[nH+]cn3C)[C@@H](C)CO2)c1 ZINC000568527024 459303036 /nfs/dbraw/zinc/30/30/36/459303036.db2.gz OERNYWCFRHZZQJ-FXAWDEMLSA-N 2 2 327.472 3.432 10 0 EGAELP Cc1ccc(C)c([C@H]2C[N@@H+](CCCc3c[nH+]cn3C)[C@@H](C)CO2)c1 ZINC000568527024 459303042 /nfs/dbraw/zinc/30/30/42/459303042.db2.gz OERNYWCFRHZZQJ-FXAWDEMLSA-N 2 2 327.472 3.432 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000560256272 459316658 /nfs/dbraw/zinc/31/66/58/459316658.db2.gz DEQGHVQRUVAGNI-HUUJSLGLSA-N 2 2 346.515 3.483 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccn12 ZINC000582429439 459364682 /nfs/dbraw/zinc/36/46/82/459364682.db2.gz TZSFBOPDKAZIHB-UHFFFAOYSA-N 2 2 348.450 3.169 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595610536 459366031 /nfs/dbraw/zinc/36/60/31/459366031.db2.gz DTBSKXONDVTVAG-SFHVURJKSA-N 2 2 341.455 3.133 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595610536 459366037 /nfs/dbraw/zinc/36/60/37/459366037.db2.gz DTBSKXONDVTVAG-SFHVURJKSA-N 2 2 341.455 3.133 10 0 EGAELP C[C@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C[C@H]1n1cc[nH+]c1 ZINC000583124473 459486611 /nfs/dbraw/zinc/48/66/11/459486611.db2.gz CMWZFFMWSMZJLB-XJKSGUPXSA-N 2 2 332.411 3.395 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000596067093 459507603 /nfs/dbraw/zinc/50/76/03/459507603.db2.gz LLVVLSFTXQIPQH-UHFFFAOYSA-N 2 2 339.439 3.005 10 0 EGAELP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000572842617 459584456 /nfs/dbraw/zinc/58/44/56/459584456.db2.gz NZOKPNNWDLZYMF-BEFAXECRSA-N 2 2 326.444 3.182 10 0 EGAELP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000572842617 459584459 /nfs/dbraw/zinc/58/44/59/459584459.db2.gz NZOKPNNWDLZYMF-BEFAXECRSA-N 2 2 326.444 3.182 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000592401091 459593121 /nfs/dbraw/zinc/59/31/21/459593121.db2.gz CGPRJGMXTZUTPI-OYLFLEFRSA-N 2 2 341.480 3.273 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(Cl)c1OC ZINC000527811531 459746985 /nfs/dbraw/zinc/74/69/85/459746985.db2.gz XSNRGOYNAOMUFL-OAHLLOKOSA-N 2 2 338.879 3.464 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(Cl)c1OC ZINC000527811531 459746991 /nfs/dbraw/zinc/74/69/91/459746991.db2.gz XSNRGOYNAOMUFL-OAHLLOKOSA-N 2 2 338.879 3.464 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC(F)F ZINC000527810731 459747602 /nfs/dbraw/zinc/74/76/02/459747602.db2.gz VRNDXORGXDVFCW-HNNXBMFYSA-N 2 2 340.414 3.403 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OC(F)F ZINC000527810731 459747606 /nfs/dbraw/zinc/74/76/06/459747606.db2.gz VRNDXORGXDVFCW-HNNXBMFYSA-N 2 2 340.414 3.403 10 0 EGAELP Cn1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(Cl)cc2)n1 ZINC000544571015 459768640 /nfs/dbraw/zinc/76/86/40/459768640.db2.gz WCSJWYUOHZTUAD-GOSISDBHSA-N 2 2 343.862 3.429 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006951 459794266 /nfs/dbraw/zinc/79/42/66/459794266.db2.gz ALINZTRHEOHUEV-UZLBHIALSA-N 2 2 341.499 3.481 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006951 459794270 /nfs/dbraw/zinc/79/42/70/459794270.db2.gz ALINZTRHEOHUEV-UZLBHIALSA-N 2 2 341.499 3.481 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087603 459834561 /nfs/dbraw/zinc/83/45/61/459834561.db2.gz ISTGJVXHCHIOPL-UAGQMJEPSA-N 2 2 345.487 3.304 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087603 459834564 /nfs/dbraw/zinc/83/45/64/459834564.db2.gz ISTGJVXHCHIOPL-UAGQMJEPSA-N 2 2 345.487 3.304 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000545984858 459883041 /nfs/dbraw/zinc/88/30/41/459883041.db2.gz DZLWCZAWDSWIRJ-IBGZPJMESA-N 2 2 336.443 3.036 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000545984858 459883045 /nfs/dbraw/zinc/88/30/45/459883045.db2.gz DZLWCZAWDSWIRJ-IBGZPJMESA-N 2 2 336.443 3.036 10 0 EGAELP Fc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995183 459906175 /nfs/dbraw/zinc/90/61/75/459906175.db2.gz ZNFWFQRAALFCIS-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995183 459906180 /nfs/dbraw/zinc/90/61/80/459906180.db2.gz ZNFWFQRAALFCIS-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995184 459906484 /nfs/dbraw/zinc/90/64/84/459906484.db2.gz ZNFWFQRAALFCIS-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995184 459906486 /nfs/dbraw/zinc/90/64/86/459906486.db2.gz ZNFWFQRAALFCIS-HXUWFJFHSA-N 2 2 326.415 3.045 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613904 459994942 /nfs/dbraw/zinc/99/49/42/459994942.db2.gz PYQIRRRWGAKXIW-RDJZCZTQSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613904 459994947 /nfs/dbraw/zinc/99/49/47/459994947.db2.gz PYQIRRRWGAKXIW-RDJZCZTQSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613904 459994949 /nfs/dbraw/zinc/99/49/49/459994949.db2.gz PYQIRRRWGAKXIW-RDJZCZTQSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613904 459994953 /nfs/dbraw/zinc/99/49/53/459994953.db2.gz PYQIRRRWGAKXIW-RDJZCZTQSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCC[C@H]21 ZINC000599654136 460299823 /nfs/dbraw/zinc/29/98/23/460299823.db2.gz LWEWAAZNJDPIIB-OTWHNJEPSA-N 2 2 339.439 3.036 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000625959340 460315394 /nfs/dbraw/zinc/31/53/94/460315394.db2.gz FARLIGVYIWPOCH-UHFFFAOYSA-N 2 2 338.492 3.105 10 0 EGAELP COC(=O)C1C[C@H](C)[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000599699169 460315412 /nfs/dbraw/zinc/31/54/12/460315412.db2.gz XFCIKLYUUUJWRW-GJZGRUSLSA-N 2 2 327.428 3.034 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC4(CC4)CC3)c2cc1C ZINC000626113791 460376556 /nfs/dbraw/zinc/37/65/56/460376556.db2.gz GPGDSYPPVOFZFS-QGZVFWFLSA-N 2 2 327.472 3.280 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC4(CC4)CC3)c2cc1C ZINC000626113791 460376561 /nfs/dbraw/zinc/37/65/61/460376561.db2.gz GPGDSYPPVOFZFS-QGZVFWFLSA-N 2 2 327.472 3.280 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771077 460438659 /nfs/dbraw/zinc/43/86/59/460438659.db2.gz MJQDQICMVGZKIS-CHWSQXEVSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771077 460438672 /nfs/dbraw/zinc/43/86/72/460438672.db2.gz MJQDQICMVGZKIS-CHWSQXEVSA-N 2 2 343.393 3.106 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000619770984 460439142 /nfs/dbraw/zinc/43/91/42/460439142.db2.gz FWJDDIZZKCXWRE-CQSZACIVSA-N 2 2 338.377 3.075 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000619770984 460439147 /nfs/dbraw/zinc/43/91/47/460439147.db2.gz FWJDDIZZKCXWRE-CQSZACIVSA-N 2 2 338.377 3.075 10 0 EGAELP OCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000631658789 460494173 /nfs/dbraw/zinc/49/41/73/460494173.db2.gz INXYCLUSAULXAC-KRWDZBQOSA-N 2 2 326.843 3.119 10 0 EGAELP Fc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1OCC(F)(F)F ZINC000623343392 460499009 /nfs/dbraw/zinc/49/90/09/460499009.db2.gz QCJVRFMPSTXGBZ-UHFFFAOYSA-N 2 2 334.357 3.342 10 0 EGAELP c1c[nH+]c([C@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)[nH]1 ZINC000623934104 460784637 /nfs/dbraw/zinc/78/46/37/460784637.db2.gz BKZYAPXHOSSPEL-KRWDZBQOSA-N 2 2 346.438 3.104 10 0 EGAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1csc(-c2ccccc2F)n1 ZINC000629520109 460793027 /nfs/dbraw/zinc/79/30/27/460793027.db2.gz KLOSQENAGMNDIG-GFCCVEGCSA-N 2 2 335.448 3.108 10 0 EGAELP C[N@H+](Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C1CC([NH3+])C1 ZINC000629532445 460798953 /nfs/dbraw/zinc/79/89/53/460798953.db2.gz AWKMTLLKTUIJEP-UHFFFAOYSA-N 2 2 343.324 3.421 10 0 EGAELP C[N@@H+](Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C1CC([NH3+])C1 ZINC000629532445 460798959 /nfs/dbraw/zinc/79/89/59/460798959.db2.gz AWKMTLLKTUIJEP-UHFFFAOYSA-N 2 2 343.324 3.421 10 0 EGAELP COCCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000629547717 460804576 /nfs/dbraw/zinc/80/45/76/460804576.db2.gz KCCOUKAVXQPPRI-APHBMKBZSA-N 2 2 341.293 3.257 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629600683 460822923 /nfs/dbraw/zinc/82/29/23/460822923.db2.gz ADXPYVQDBYWDMQ-MRXNPFEDSA-N 2 2 333.451 3.069 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629600683 460822926 /nfs/dbraw/zinc/82/29/26/460822926.db2.gz ADXPYVQDBYWDMQ-MRXNPFEDSA-N 2 2 333.451 3.069 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000629649852 460845318 /nfs/dbraw/zinc/84/53/18/460845318.db2.gz IFXYQFADWKYVGU-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225833 460919840 /nfs/dbraw/zinc/91/98/40/460919840.db2.gz COGJERONEBNAND-IFIJOSMWSA-N 2 2 337.870 3.130 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225833 460919845 /nfs/dbraw/zinc/91/98/45/460919845.db2.gz COGJERONEBNAND-IFIJOSMWSA-N 2 2 337.870 3.130 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)cc1OC ZINC000628162086 461025243 /nfs/dbraw/zinc/02/52/43/461025243.db2.gz CJBSYTIPQOVVHN-OAHLLOKOSA-N 2 2 333.407 3.267 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)cc1OC ZINC000628162086 461025249 /nfs/dbraw/zinc/02/52/49/461025249.db2.gz CJBSYTIPQOVVHN-OAHLLOKOSA-N 2 2 333.407 3.267 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)cc1OC ZINC000628162085 461025926 /nfs/dbraw/zinc/02/59/26/461025926.db2.gz CJBSYTIPQOVVHN-HNNXBMFYSA-N 2 2 333.407 3.267 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)cc1OC ZINC000628162085 461025929 /nfs/dbraw/zinc/02/59/29/461025929.db2.gz CJBSYTIPQOVVHN-HNNXBMFYSA-N 2 2 333.407 3.267 10 0 EGAELP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662256072 461143535 /nfs/dbraw/zinc/14/35/35/461143535.db2.gz JNDUYDUMLRWULH-VQIMIIECSA-N 2 2 340.467 3.343 10 0 EGAELP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662256072 461143542 /nfs/dbraw/zinc/14/35/42/461143542.db2.gz JNDUYDUMLRWULH-VQIMIIECSA-N 2 2 340.467 3.343 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662264654 461149421 /nfs/dbraw/zinc/14/94/21/461149421.db2.gz RYSPIJBQPMTNDG-ZBFHGGJFSA-N 2 2 331.485 3.100 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662264654 461149424 /nfs/dbraw/zinc/14/94/24/461149424.db2.gz RYSPIJBQPMTNDG-ZBFHGGJFSA-N 2 2 331.485 3.100 10 0 EGAELP Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000652593051 461282713 /nfs/dbraw/zinc/28/27/13/461282713.db2.gz HCFNUAZXCAGQDI-HNNXBMFYSA-N 2 2 345.491 3.019 10 0 EGAELP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000662792552 461370959 /nfs/dbraw/zinc/37/09/59/461370959.db2.gz WGFKMZMJFKILBJ-IRXDYDNUSA-N 2 2 349.494 3.042 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208272 461469549 /nfs/dbraw/zinc/46/95/49/461469549.db2.gz VPWLCIPMYOHEOE-LRDDRELGSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208272 461469553 /nfs/dbraw/zinc/46/95/53/461469553.db2.gz VPWLCIPMYOHEOE-LRDDRELGSA-N 2 2 339.418 3.171 10 0 EGAELP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)on1 ZINC000631079529 461529698 /nfs/dbraw/zinc/52/96/98/461529698.db2.gz HYNJZFZPYYTVDM-UHFFFAOYSA-N 2 2 325.412 3.498 10 0 EGAELP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)on1 ZINC000631079529 461529701 /nfs/dbraw/zinc/52/97/01/461529701.db2.gz HYNJZFZPYYTVDM-UHFFFAOYSA-N 2 2 325.412 3.498 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(CCc3c[nH+]cc(C)c3)n2)c1C ZINC000656039600 461572725 /nfs/dbraw/zinc/57/27/25/461572725.db2.gz VWAMKEZKYWDMMZ-UHFFFAOYSA-N 2 2 339.443 3.394 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346660 461576360 /nfs/dbraw/zinc/57/63/60/461576360.db2.gz CBEUONSDEDUCKD-KRWDZBQOSA-N 2 2 326.488 3.268 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346660 461576368 /nfs/dbraw/zinc/57/63/68/461576368.db2.gz CBEUONSDEDUCKD-KRWDZBQOSA-N 2 2 326.488 3.268 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2nc3c(s2)CCC3)[C@H](c2ccccc2)C1 ZINC000647249315 461588561 /nfs/dbraw/zinc/58/85/61/461588561.db2.gz RGERTGMHTZEKHS-CVEARBPZSA-N 2 2 327.497 3.067 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2nc3c(s2)CCC3)[C@H](c2ccccc2)C1 ZINC000647249315 461588568 /nfs/dbraw/zinc/58/85/68/461588568.db2.gz RGERTGMHTZEKHS-CVEARBPZSA-N 2 2 327.497 3.067 10 0 EGAELP CSc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000660126947 461598843 /nfs/dbraw/zinc/59/88/43/461598843.db2.gz AMAVUDOIBFPZHS-DFNIBXOVSA-N 2 2 345.556 3.151 10 0 EGAELP CSc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000660126947 461598852 /nfs/dbraw/zinc/59/88/52/461598852.db2.gz AMAVUDOIBFPZHS-DFNIBXOVSA-N 2 2 345.556 3.151 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cn21 ZINC000647263089 461599346 /nfs/dbraw/zinc/59/93/46/461599346.db2.gz GIIUQXFFPTXCLH-KZNAEPCWSA-N 2 2 327.472 3.370 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000647289307 461614556 /nfs/dbraw/zinc/61/45/56/461614556.db2.gz NHEVTUWISOUAQZ-SCTDSRPQSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000647289307 461614566 /nfs/dbraw/zinc/61/45/66/461614566.db2.gz NHEVTUWISOUAQZ-SCTDSRPQSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000647289304 461614969 /nfs/dbraw/zinc/61/49/69/461614969.db2.gz NHEVTUWISOUAQZ-AOIWGVFYSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000647289304 461614974 /nfs/dbraw/zinc/61/49/74/461614974.db2.gz NHEVTUWISOUAQZ-AOIWGVFYSA-N 2 2 348.535 3.007 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479850 461727803 /nfs/dbraw/zinc/72/78/03/461727803.db2.gz WOLFUODWHBCIJU-HIFRSBDPSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479850 461727811 /nfs/dbraw/zinc/72/78/11/461727811.db2.gz WOLFUODWHBCIJU-HIFRSBDPSA-N 2 2 332.879 3.191 10 0 EGAELP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn3cccc(F)c3n2)cc1 ZINC000666785484 461801236 /nfs/dbraw/zinc/80/12/36/461801236.db2.gz ARBCSNRKWMGZAU-SFHVURJKSA-N 2 2 326.419 3.386 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000656701815 461847644 /nfs/dbraw/zinc/84/76/44/461847644.db2.gz CTQRRYDMHMIGPR-MSOLQXFVSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000656701815 461847648 /nfs/dbraw/zinc/84/76/48/461847648.db2.gz CTQRRYDMHMIGPR-MSOLQXFVSA-N 2 2 342.483 3.042 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902031 461877167 /nfs/dbraw/zinc/87/71/67/461877167.db2.gz ZAFSQIQVKDRXMT-DAYGRLMNSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902031 461877169 /nfs/dbraw/zinc/87/71/69/461877169.db2.gz ZAFSQIQVKDRXMT-DAYGRLMNSA-N 2 2 349.906 3.439 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904076 461878747 /nfs/dbraw/zinc/87/87/47/461878747.db2.gz WDVBLUOTFRYNMT-RDTXWAMCSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904076 461878752 /nfs/dbraw/zinc/87/87/52/461878752.db2.gz WDVBLUOTFRYNMT-RDTXWAMCSA-N 2 2 346.425 3.115 10 0 EGAELP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956686 461907751 /nfs/dbraw/zinc/90/77/51/461907751.db2.gz WMOQHIKXCDSUKJ-PKOBYXMFSA-N 2 2 349.544 3.027 10 0 EGAELP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956686 461907758 /nfs/dbraw/zinc/90/77/58/461907758.db2.gz WMOQHIKXCDSUKJ-PKOBYXMFSA-N 2 2 349.544 3.027 10 0 EGAELP CCc1cc(CCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)on1 ZINC000660678097 461921821 /nfs/dbraw/zinc/92/18/21/461921821.db2.gz QYHQLSLNMPWVMD-UHFFFAOYSA-N 2 2 327.472 3.424 10 0 EGAELP FC1(F)C[C@H]1OCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660858826 461998657 /nfs/dbraw/zinc/99/86/57/461998657.db2.gz RHQDBNXSRHSJFH-MRXNPFEDSA-N 2 2 335.398 3.242 10 0 EGAELP c1[nH+]c(C2CC[NH+](Cc3nc(C4CCC4)no3)CC2)n2c1CCCC2 ZINC000639615351 462020080 /nfs/dbraw/zinc/02/00/80/462020080.db2.gz NDUAFPHCRRNVDG-UHFFFAOYSA-N 2 2 341.459 3.250 10 0 EGAELP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311604 462036986 /nfs/dbraw/zinc/03/69/86/462036986.db2.gz PHGTYEQEIMPBRW-QGZVFWFLSA-N 2 2 338.499 3.351 10 0 EGAELP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311604 462036988 /nfs/dbraw/zinc/03/69/88/462036988.db2.gz PHGTYEQEIMPBRW-QGZVFWFLSA-N 2 2 338.499 3.351 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667688058 462216494 /nfs/dbraw/zinc/21/64/94/462216494.db2.gz DOYYQLQTBWVDFF-QGZVFWFLSA-N 2 2 345.535 3.480 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667688058 462216496 /nfs/dbraw/zinc/21/64/96/462216496.db2.gz DOYYQLQTBWVDFF-QGZVFWFLSA-N 2 2 345.535 3.480 10 0 EGAELP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000657706585 462238456 /nfs/dbraw/zinc/23/84/56/462238456.db2.gz DIZZGGAPPZRUOS-QZTJIDSGSA-N 2 2 334.891 3.198 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667770206 462253398 /nfs/dbraw/zinc/25/33/98/462253398.db2.gz RJAWEEDQWVCANQ-RTBURBONSA-N 2 2 334.891 3.462 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000651712585 462312241 /nfs/dbraw/zinc/31/22/41/462312241.db2.gz LBILMCSYQFAZEK-WDSOQIARSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000651712585 462312245 /nfs/dbraw/zinc/31/22/45/462312245.db2.gz LBILMCSYQFAZEK-WDSOQIARSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000657984258 462337728 /nfs/dbraw/zinc/33/77/28/462337728.db2.gz DBCUAGIWELVNII-HFSMHLIXSA-N 2 2 348.531 3.408 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c[nH+]c12 ZINC000667947760 462340070 /nfs/dbraw/zinc/34/00/70/462340070.db2.gz AHFUMXXXXNKTSZ-ZDUSSCGKSA-N 2 2 343.456 3.129 10 0 EGAELP Cc1cccn2c(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)c[nH+]c12 ZINC000667948996 462340400 /nfs/dbraw/zinc/34/04/00/462340400.db2.gz URZDVEAMCPOBJS-OAHLLOKOSA-N 2 2 343.475 3.276 10 0 EGAELP Cc1cccn2c(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c[nH+]c12 ZINC000667948996 462340406 /nfs/dbraw/zinc/34/04/06/462340406.db2.gz URZDVEAMCPOBJS-OAHLLOKOSA-N 2 2 343.475 3.276 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053495 462359629 /nfs/dbraw/zinc/35/96/29/462359629.db2.gz BJSZOWCNVKCAAU-AEFFLSMTSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053495 462359632 /nfs/dbraw/zinc/35/96/32/462359632.db2.gz BJSZOWCNVKCAAU-AEFFLSMTSA-N 3 2 333.520 3.150 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665232251 462362335 /nfs/dbraw/zinc/36/23/35/462362335.db2.gz JITIJGKSXZXKDJ-XPGWFJOJSA-N 2 2 325.456 3.277 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccccn2)cc1F ZINC000665259291 462374317 /nfs/dbraw/zinc/37/43/17/462374317.db2.gz ASYIDHIHNAPGNU-YEWWUXTCSA-N 2 2 329.419 3.026 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000665273316 462377952 /nfs/dbraw/zinc/37/79/52/462377952.db2.gz UKIKWNBQGBLIPQ-ACRUOGEOSA-N 2 2 337.467 3.348 10 0 EGAELP Fc1cc(Br)ccc1[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665279383 462381419 /nfs/dbraw/zinc/38/14/19/462381419.db2.gz BJUHAGFCPKMAOG-NWWFGRIYSA-N 2 2 339.252 3.381 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665277879 462382069 /nfs/dbraw/zinc/38/20/69/462382069.db2.gz NXQLFVXAWZKTDM-VROQLPPWSA-N 2 2 339.302 3.328 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2nccn2C)CC1 ZINC000651962263 462393542 /nfs/dbraw/zinc/39/35/42/462393542.db2.gz XGGISPWSOYKBLQ-LJQANCHMSA-N 2 2 326.488 3.166 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652148419 462450663 /nfs/dbraw/zinc/45/06/63/462450663.db2.gz YKGYSYLLKVDRSK-VQTJNVASSA-N 2 2 331.504 3.403 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652148419 462450666 /nfs/dbraw/zinc/45/06/66/462450666.db2.gz YKGYSYLLKVDRSK-VQTJNVASSA-N 2 2 331.504 3.403 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415196 462503043 /nfs/dbraw/zinc/50/30/43/462503043.db2.gz PCQYERJMZGLVMW-DOTOQJQBSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415196 462503046 /nfs/dbraw/zinc/50/30/46/462503046.db2.gz PCQYERJMZGLVMW-DOTOQJQBSA-N 2 2 329.419 3.445 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@H+](CCc1c(Cl)cccc1Cl)CCO2 ZINC000646106850 462519575 /nfs/dbraw/zinc/51/95/75/462519575.db2.gz WKBHXNXTCSDBCR-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@@H+](CCc1c(Cl)cccc1Cl)CCO2 ZINC000646106850 462519577 /nfs/dbraw/zinc/51/95/77/462519577.db2.gz WKBHXNXTCSDBCR-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000344736793 536499629 /nfs/dbraw/zinc/49/96/29/536499629.db2.gz ASPJXOPHQZXCRF-MRXNPFEDSA-N 2 2 334.504 3.105 10 0 EGAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000177100381 547023188 /nfs/dbraw/zinc/02/31/88/547023188.db2.gz GVEICHKFMCEWRE-AWEZNQCLSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000177100381 547023191 /nfs/dbraw/zinc/02/31/91/547023191.db2.gz GVEICHKFMCEWRE-AWEZNQCLSA-N 2 2 338.224 3.449 10 0 EGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000183270077 547094003 /nfs/dbraw/zinc/09/40/03/547094003.db2.gz WRALABSNMAUMRT-UHFFFAOYSA-N 2 2 349.438 3.476 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000673701414 548599644 /nfs/dbraw/zinc/59/96/44/548599644.db2.gz JTFZBMGIRUDCFM-UZLBHIALSA-N 2 2 347.466 3.224 10 0 EGAELP C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000673701414 548599647 /nfs/dbraw/zinc/59/96/47/548599647.db2.gz JTFZBMGIRUDCFM-UZLBHIALSA-N 2 2 347.466 3.224 10 0 EGAELP C[NH+]1CCC(CNc2ccnc(C(C)(C)C)n2)([NH+]2CCCCC2)CC1 ZINC000674065773 548682751 /nfs/dbraw/zinc/68/27/51/548682751.db2.gz IUYIQOKUDYBYEO-UHFFFAOYSA-N 2 2 345.535 3.136 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000678267076 549450841 /nfs/dbraw/zinc/45/08/41/549450841.db2.gz LXHGAOQVJMVBNK-UHFFFAOYSA-N 2 2 337.427 3.188 10 0 EGAELP C[C@]1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC[N@@H+]1Cc1ccccc1 ZINC000681673075 550025799 /nfs/dbraw/zinc/02/57/99/550025799.db2.gz UILZDZAFNQYVDF-HXUWFJFHSA-N 2 2 348.454 3.129 10 0 EGAELP C[C@]1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC[N@H+]1Cc1ccccc1 ZINC000681673075 550025801 /nfs/dbraw/zinc/02/58/01/550025801.db2.gz UILZDZAFNQYVDF-HXUWFJFHSA-N 2 2 348.454 3.129 10 0 EGAELP CC(C)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccnn1C ZINC000682616202 550120523 /nfs/dbraw/zinc/12/05/23/550120523.db2.gz STJWFPHJWDOMHN-MRXNPFEDSA-N 2 2 329.473 3.197 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000684380031 550321814 /nfs/dbraw/zinc/32/18/14/550321814.db2.gz XPYVDOZJRPACCK-SJORKVTESA-N 2 2 326.550 3.285 10 0 EGAELP COc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1Cl ZINC000742369301 576774593 /nfs/dbraw/zinc/77/45/93/576774593.db2.gz SVWDBFVSCZFHNI-UHFFFAOYSA-N 2 2 328.803 3.219 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000744403913 576827379 /nfs/dbraw/zinc/82/73/79/576827379.db2.gz AJANAEPIDLTJSW-KSZLIROESA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000744403913 576827380 /nfs/dbraw/zinc/82/73/80/576827380.db2.gz AJANAEPIDLTJSW-KSZLIROESA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000744403913 576827381 /nfs/dbraw/zinc/82/73/81/576827381.db2.gz AJANAEPIDLTJSW-KSZLIROESA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000744403913 576827382 /nfs/dbraw/zinc/82/73/82/576827382.db2.gz AJANAEPIDLTJSW-KSZLIROESA-N 2 2 325.541 3.266 10 0 EGAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000040593404 1291409980 /nfs/dbraw/zinc/40/99/80/1291409980.db2.gz OGDYTWWNBZIWJL-LBPRGKRZSA-N 2 2 336.277 3.362 10 0 EGAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000040593404 1291409981 /nfs/dbraw/zinc/40/99/81/1291409981.db2.gz OGDYTWWNBZIWJL-LBPRGKRZSA-N 2 2 336.277 3.362 10 0 EGAELP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCOC1 ZINC000872056137 1296704406 /nfs/dbraw/zinc/70/44/06/1296704406.db2.gz OKYHLPAOQMUVLH-PXNSSMCTSA-N 2 2 331.504 3.446 10 0 EGAELP COC(=O)c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000310369387 1297094237 /nfs/dbraw/zinc/09/42/37/1297094237.db2.gz BKCSPRHHOOQNBR-UHFFFAOYSA-N 2 2 338.451 3.227 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877167682 1299190268 /nfs/dbraw/zinc/19/02/68/1299190268.db2.gz GPMGMMMASIPHNY-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000877167682 1299190273 /nfs/dbraw/zinc/19/02/73/1299190273.db2.gz GPMGMMMASIPHNY-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000878491780 1300033564 /nfs/dbraw/zinc/03/35/64/1300033564.db2.gz SRIPGEIWGFQIAI-AOIWGVFYSA-N 2 2 345.531 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000878491780 1300033573 /nfs/dbraw/zinc/03/35/73/1300033573.db2.gz SRIPGEIWGFQIAI-AOIWGVFYSA-N 2 2 345.531 3.475 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000886263620 1303413507 /nfs/dbraw/zinc/41/35/07/1303413507.db2.gz BEKYPKWFZOYYHW-PBHICJAKSA-N 2 2 346.475 3.145 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000886263620 1303413508 /nfs/dbraw/zinc/41/35/08/1303413508.db2.gz BEKYPKWFZOYYHW-PBHICJAKSA-N 2 2 346.475 3.145 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092781 1306214705 /nfs/dbraw/zinc/21/47/05/1306214705.db2.gz BKNVUDKCARBQPI-WMLDXEAASA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1OC ZINC000894092781 1306214711 /nfs/dbraw/zinc/21/47/11/1306214711.db2.gz BKNVUDKCARBQPI-WMLDXEAASA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1OC ZINC000894092781 1306214716 /nfs/dbraw/zinc/21/47/16/1306214716.db2.gz BKNVUDKCARBQPI-WMLDXEAASA-N 2 2 348.462 3.292 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1OC ZINC000894092781 1306214720 /nfs/dbraw/zinc/21/47/20/1306214720.db2.gz BKNVUDKCARBQPI-WMLDXEAASA-N 2 2 348.462 3.292 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000894312974 1306337862 /nfs/dbraw/zinc/33/78/62/1306337862.db2.gz PGEHBDPNIMQWDJ-BXUZGUMPSA-N 2 2 344.377 3.064 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000894312974 1306337872 /nfs/dbraw/zinc/33/78/72/1306337872.db2.gz PGEHBDPNIMQWDJ-BXUZGUMPSA-N 2 2 344.377 3.064 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cccc3c2OCCO3)c2cccc[nH+]2)CC1 ZINC000895111600 1309194985 /nfs/dbraw/zinc/19/49/85/1309194985.db2.gz QGMKXZFIKNYLHX-QAQDUYKDSA-N 2 2 339.439 3.129 10 0 EGAELP Cc1nn(C)c(Cl)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111025 1309195136 /nfs/dbraw/zinc/19/51/36/1309195136.db2.gz IMTZCVHZQDUORU-HDJSIYSDSA-N 2 2 333.867 3.053 10 0 EGAELP CCOc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895110261 1309195306 /nfs/dbraw/zinc/19/53/06/1309195306.db2.gz GGQPUFKQGMYDIW-JCNLHEQBSA-N 2 2 326.444 3.152 10 0 EGAELP Cc1c(Cl)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)nn1C ZINC000895113624 1309196211 /nfs/dbraw/zinc/19/62/11/1309196211.db2.gz HHBRCULVZBUHBB-HDJSIYSDSA-N 2 2 333.867 3.053 10 0 EGAELP C[C@@H](Cc1ccc(O)cc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112232 1309197088 /nfs/dbraw/zinc/19/70/88/1309197088.db2.gz OYQJVJODJGEJKQ-SZMVWBNQSA-N 2 2 325.456 3.495 10 0 EGAELP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000858463952 1328768399 /nfs/dbraw/zinc/76/83/99/1328768399.db2.gz FVCHZCNEDRITOV-HTWSVDAQSA-N 2 2 337.508 3.040 10 0 EGAELP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000858463952 1328768401 /nfs/dbraw/zinc/76/84/01/1328768401.db2.gz FVCHZCNEDRITOV-HTWSVDAQSA-N 2 2 337.508 3.040 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129429 1328792609 /nfs/dbraw/zinc/79/26/09/1328792609.db2.gz OQDDQCLRGFYJTC-LSDHHAIUSA-N 2 2 343.393 3.458 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000930518957 1328884439 /nfs/dbraw/zinc/88/44/39/1328884439.db2.gz PNBNPKLTMQLKHS-WBVHZDCISA-N 2 2 336.842 3.354 10 0 EGAELP CCO[C@H](C[NH2+]Cc1ccc(-c2scnc2C)cc1)C[NH+](C)C ZINC000922756946 1322611803 /nfs/dbraw/zinc/61/18/03/1322611803.db2.gz VIXOEIYQOKJDBB-QGZVFWFLSA-N 2 2 333.501 3.175 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000924324477 1322981502 /nfs/dbraw/zinc/98/15/02/1322981502.db2.gz UCDSKCLQKKWCGA-CYBMUJFWSA-N 2 2 343.475 3.143 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924555231 1323054240 /nfs/dbraw/zinc/05/42/40/1323054240.db2.gz YZLXQUPOYXNALP-PKOBYXMFSA-N 2 2 326.488 3.341 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924555231 1323054248 /nfs/dbraw/zinc/05/42/48/1323054248.db2.gz YZLXQUPOYXNALP-PKOBYXMFSA-N 2 2 326.488 3.341 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c(C)[nH+]1 ZINC000931166686 1329065795 /nfs/dbraw/zinc/06/57/95/1329065795.db2.gz GELJKNXBWZNCTD-IUODEOHRSA-N 2 2 325.334 3.051 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924767421 1323152600 /nfs/dbraw/zinc/15/26/00/1323152600.db2.gz VQPSSOOZUSKMHB-WOJBJXKFSA-N 2 2 346.490 3.480 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924767421 1323152606 /nfs/dbraw/zinc/15/26/06/1323152606.db2.gz VQPSSOOZUSKMHB-WOJBJXKFSA-N 2 2 346.490 3.480 10 0 EGAELP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924952007 1323225155 /nfs/dbraw/zinc/22/51/55/1323225155.db2.gz MMKCMIGJPHXQAX-IAGOWNOFSA-N 2 2 339.474 3.030 10 0 EGAELP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000925015726 1323245179 /nfs/dbraw/zinc/24/51/79/1323245179.db2.gz KTPLDENFJNMRBO-VXKWHMMOSA-N 2 2 335.495 3.309 10 0 EGAELP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000925015726 1323245187 /nfs/dbraw/zinc/24/51/87/1323245187.db2.gz KTPLDENFJNMRBO-VXKWHMMOSA-N 2 2 335.495 3.309 10 0 EGAELP C[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000931465057 1329124649 /nfs/dbraw/zinc/12/46/49/1329124649.db2.gz NTFCCHVFRRUNEG-MRXNPFEDSA-N 2 2 330.472 3.161 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1F ZINC000925567860 1325215099 /nfs/dbraw/zinc/21/50/99/1325215099.db2.gz LTYBFGPLCAUCEV-MNEFBYGVSA-N 3 2 342.462 3.186 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612709 1325230669 /nfs/dbraw/zinc/23/06/69/1325230669.db2.gz TUXVEADWJCIXFK-NEPXVJNWSA-N 2 2 331.504 3.173 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000925619116 1325232391 /nfs/dbraw/zinc/23/23/91/1325232391.db2.gz XTBQIWVEBLTOLR-DBVUQKKJSA-N 2 2 344.499 3.186 10 0 EGAELP COc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925831664 1325320239 /nfs/dbraw/zinc/32/02/39/1325320239.db2.gz LHPUFRNIJDOUDC-LCGIIJARSA-N 2 2 328.378 3.276 10 0 EGAELP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)cc(F)c1 ZINC000925937275 1325363360 /nfs/dbraw/zinc/36/33/60/1325363360.db2.gz RTDACVIHEPVSFI-SUMWQHHRSA-N 2 2 344.434 3.240 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)CO1 ZINC000926330973 1325517674 /nfs/dbraw/zinc/51/76/74/1325517674.db2.gz PNEJAMQHAWFYPW-LMWIKNPDSA-N 2 2 346.437 3.339 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746269 1327696295 /nfs/dbraw/zinc/69/62/95/1327696295.db2.gz RXVWVUWDONFAED-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(-n2cnnc2)c1 ZINC000926746269 1327696300 /nfs/dbraw/zinc/69/63/00/1327696300.db2.gz RXVWVUWDONFAED-OXJNMPFZSA-N 2 2 339.487 3.325 10 0 EGAELP COCCC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958212 1327797031 /nfs/dbraw/zinc/79/70/31/1327797031.db2.gz MUCIBTSRUKIJKC-GOSISDBHSA-N 2 2 334.504 3.072 10 0 EGAELP COCCC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958212 1327797038 /nfs/dbraw/zinc/79/70/38/1327797038.db2.gz MUCIBTSRUKIJKC-GOSISDBHSA-N 2 2 334.504 3.072 10 0 EGAELP Cc1nc(C)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000862282737 1329473888 /nfs/dbraw/zinc/47/38/88/1329473888.db2.gz SMHDEGPKBCXGAR-UHFFFAOYSA-N 2 2 328.460 3.116 10 0 EGAELP C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431736 1329486385 /nfs/dbraw/zinc/48/63/85/1329486385.db2.gz SDHRICCPMKWRTA-OXQOHEQNSA-N 2 2 325.456 3.224 10 0 EGAELP C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c[nH+]c2c1CCCC2 ZINC000862431736 1329486387 /nfs/dbraw/zinc/48/63/87/1329486387.db2.gz SDHRICCPMKWRTA-OXQOHEQNSA-N 2 2 325.456 3.224 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2cc(F)ccc2F)n1 ZINC000865621761 1329721191 /nfs/dbraw/zinc/72/11/91/1329721191.db2.gz ZTKDETHQLWWLRM-OAHLLOKOSA-N 2 2 348.441 3.328 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2cc(F)ccc2F)n1 ZINC000865621761 1329721192 /nfs/dbraw/zinc/72/11/92/1329721192.db2.gz ZTKDETHQLWWLRM-OAHLLOKOSA-N 2 2 348.441 3.328 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000865652240 1329725449 /nfs/dbraw/zinc/72/54/49/1329725449.db2.gz UMTQAYPURVHZMC-MRXNPFEDSA-N 2 2 333.545 3.454 10 0 EGAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000866146569 1330070641 /nfs/dbraw/zinc/07/06/41/1330070641.db2.gz LCOVKQXKMDQTOE-LJQANCHMSA-N 2 2 338.455 3.056 10 0 EGAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000866146569 1330070644 /nfs/dbraw/zinc/07/06/44/1330070644.db2.gz LCOVKQXKMDQTOE-LJQANCHMSA-N 2 2 338.455 3.056 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)[C@@H](C)C1 ZINC000866511777 1330119929 /nfs/dbraw/zinc/11/99/29/1330119929.db2.gz SXQBKPQWBOXCBX-WMLDXEAASA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)[C@@H](C)C1 ZINC000866511777 1330119930 /nfs/dbraw/zinc/11/99/30/1330119930.db2.gz SXQBKPQWBOXCBX-WMLDXEAASA-N 2 2 349.450 3.194 10 0 EGAELP c1cncc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000866609719 1330132574 /nfs/dbraw/zinc/13/25/74/1330132574.db2.gz NFDCRLXRWJLJAV-SFTDATJTSA-N 2 2 343.515 3.026 10 0 EGAELP c1cncc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000866609717 1330132689 /nfs/dbraw/zinc/13/26/89/1330132689.db2.gz NFDCRLXRWJLJAV-NHCUHLMSSA-N 2 2 343.515 3.026 10 0 EGAELP 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ZINC001482340146 1394908263 /nfs/dbraw/zinc/90/82/63/1394908263.db2.gz ZQWONWKMEDYJHP-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001698967056 1406726423 /nfs/dbraw/zinc/72/64/23/1406726423.db2.gz BGTMRIZCYQYALY-KRWDZBQOSA-N 2 2 330.476 3.343 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)C[C@H]1C ZINC001483906970 1395138443 /nfs/dbraw/zinc/13/84/43/1395138443.db2.gz ZWENHQWFFAALAL-AEFFLSMTSA-N 2 2 347.503 3.038 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001484009394 1395183432 /nfs/dbraw/zinc/18/34/32/1395183432.db2.gz AHUWWRQJAOPCEK-INIZCTEOSA-N 2 2 334.508 3.043 10 0 EGAELP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484139396 1395276356 /nfs/dbraw/zinc/27/63/56/1395276356.db2.gz KXLWLHDVGLTKBP-MRXNPFEDSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484892974 1395588714 /nfs/dbraw/zinc/58/87/14/1395588714.db2.gz 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KYKHEYYQCOTKJP-ROUUACIJSA-N 2 2 348.535 3.486 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1)n1cc[nH+]c1 ZINC001689363000 1403699651 /nfs/dbraw/zinc/69/96/51/1403699651.db2.gz KYKHEYYQCOTKJP-ROUUACIJSA-N 2 2 348.535 3.486 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690137086 1404335672 /nfs/dbraw/zinc/33/56/72/1404335672.db2.gz ZWQZSRRFTUFZRD-IAGOWNOFSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690137086 1404335675 /nfs/dbraw/zinc/33/56/75/1404335675.db2.gz ZWQZSRRFTUFZRD-IAGOWNOFSA-N 2 2 348.535 3.337 10 0 EGAELP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001690901233 1404809160 /nfs/dbraw/zinc/80/91/60/1404809160.db2.gz FBSXHJYESUTIQR-QGZVFWFLSA-N 2 2 334.508 3.088 10 0 EGAELP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001690901233 1404809165 /nfs/dbraw/zinc/80/91/65/1404809165.db2.gz FBSXHJYESUTIQR-QGZVFWFLSA-N 2 2 334.508 3.088 10 0 EGAELP CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CC(C)(C)C1 ZINC001691183754 1405121394 /nfs/dbraw/zinc/12/13/94/1405121394.db2.gz MWVSXQUCAILKJE-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CC(C)(C)C1 ZINC001691183754 1405121396 /nfs/dbraw/zinc/12/13/96/1405121396.db2.gz MWVSXQUCAILKJE-UHFFFAOYSA-N 2 2 348.535 3.191 10 0 EGAELP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001691790348 1405499703 /nfs/dbraw/zinc/49/97/03/1405499703.db2.gz MDZRWADYCIDFGU-SFHVURJKSA-N 2 2 348.535 3.412 10 0 EGAELP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001691790348 1405499708 /nfs/dbraw/zinc/49/97/08/1405499708.db2.gz MDZRWADYCIDFGU-SFHVURJKSA-N 2 2 348.535 3.412 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864571 1405583924 /nfs/dbraw/zinc/58/39/24/1405583924.db2.gz OZMHFQQJMAPDSF-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864571 1405583927 /nfs/dbraw/zinc/58/39/27/1405583927.db2.gz OZMHFQQJMAPDSF-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864571 1405583930 /nfs/dbraw/zinc/58/39/30/1405583930.db2.gz OZMHFQQJMAPDSF-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864571 1405583931 /nfs/dbraw/zinc/58/39/31/1405583931.db2.gz OZMHFQQJMAPDSF-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691895459 1405618566 /nfs/dbraw/zinc/61/85/66/1405618566.db2.gz KDOFYHNXKSMLHG-KZNAEPCWSA-N 2 2 334.508 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001692096888 1405770577 /nfs/dbraw/zinc/77/05/77/1405770577.db2.gz IFYIFEYQFXQYRC-QAPCUYQASA-N 2 2 346.519 3.058 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C/C=C/Cl)C1)c1ccccc1 ZINC001732090815 1428356838 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DIZJJTZPLBAKHK-KZNAEPCWSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001732422896 1428575190 /nfs/dbraw/zinc/57/51/90/1428575190.db2.gz LSTUITUHYQHJAY-MRXNPFEDSA-N 2 2 342.487 3.102 10 0 EGAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001732422896 1428575191 /nfs/dbraw/zinc/57/51/91/1428575191.db2.gz LSTUITUHYQHJAY-MRXNPFEDSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)CC(C)C)ccn12 ZINC001732457759 1428590734 /nfs/dbraw/zinc/59/07/34/1428590734.db2.gz CBJZTTDBHBBSRP-MQDFFIGUSA-N 2 2 348.878 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001699262815 1412602795 /nfs/dbraw/zinc/60/27/95/1412602795.db2.gz VJIPWZGDQLBECT-SQRWCISFSA-N 2 2 342.487 3.201 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C/C=C\c3ccccc3)ccn12 ZINC001699403841 1412717076 /nfs/dbraw/zinc/71/70/76/1412717076.db2.gz PFFCKAALMQNBCH-HWYHOQROSA-N 2 2 348.450 3.064 10 0 EGAELP 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IVQSLWKSZBBPIY-ZWKOTPCHSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001700363508 1413882156 /nfs/dbraw/zinc/88/21/56/1413882156.db2.gz IVQSLWKSZBBPIY-ZWKOTPCHSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001700363508 1413882164 /nfs/dbraw/zinc/88/21/64/1413882164.db2.gz IVQSLWKSZBBPIY-ZWKOTPCHSA-N 2 2 346.519 3.093 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001700443875 1414017673 /nfs/dbraw/zinc/01/76/73/1414017673.db2.gz XNTWIDVZSNGAIX-CQSZACIVSA-N 2 2 337.483 3.443 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001700621304 1414291804 /nfs/dbraw/zinc/29/18/04/1414291804.db2.gz QFQWHUODLKBRGN-UHFFFAOYSA-N 2 2 346.519 3.192 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001700621304 1414291807 /nfs/dbraw/zinc/29/18/07/1414291807.db2.gz QFQWHUODLKBRGN-UHFFFAOYSA-N 2 2 346.519 3.192 10 0 EGAELP 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ZINC001714987880 1419720586 /nfs/dbraw/zinc/72/05/86/1419720586.db2.gz OJASHIGTJLUXRO-GBESFXJTSA-N 2 2 346.519 3.192 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017551 1419746742 /nfs/dbraw/zinc/74/67/42/1419746742.db2.gz GRHXZTFUHIDYBD-MOPGFXCFSA-N 2 2 348.535 3.439 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017551 1419746746 /nfs/dbraw/zinc/74/67/46/1419746746.db2.gz GRHXZTFUHIDYBD-MOPGFXCFSA-N 2 2 348.535 3.439 10 0 EGAELP CCCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001715132602 1419882116 /nfs/dbraw/zinc/88/21/16/1419882116.db2.gz QUKLMWWQYDWXCP-UZLBHIALSA-N 2 2 342.487 3.403 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001715423148 1420114754 /nfs/dbraw/zinc/11/47/54/1420114754.db2.gz XPMZJTAQDZTVCO-YJBOKZPZSA-N 2 2 331.504 3.493 10 0 EGAELP CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001715461513 1420141075 /nfs/dbraw/zinc/14/10/75/1420141075.db2.gz SXCSHDFAGLNLFC-QZTJIDSGSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CC2CCCCC2)C(C)C)c[nH+]1 ZINC001715497061 1420178343 /nfs/dbraw/zinc/17/83/43/1420178343.db2.gz ZCDNDXDFCCWNQB-SFHVURJKSA-N 2 2 348.535 3.237 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)ccn12 ZINC001715648019 1420278448 /nfs/dbraw/zinc/27/84/48/1420278448.db2.gz UEEVXOUDXXSXLM-CQSZACIVSA-N 2 2 330.476 3.177 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001716973956 1421058494 /nfs/dbraw/zinc/05/84/94/1421058494.db2.gz TULDKMPDYJPXTK-HZPDHXFCSA-N 2 2 334.508 3.094 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001717106905 1421112979 /nfs/dbraw/zinc/11/29/79/1421112979.db2.gz GCFLWEOVTPJPTR-SFHVURJKSA-N 2 2 346.519 3.059 10 0 EGAELP CC1([NH2+]CCCCCF)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717299388 1421242191 /nfs/dbraw/zinc/24/21/91/1421242191.db2.gz RCIVSXCIWNZPSR-UHFFFAOYSA-N 2 2 346.450 3.058 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717330937 1421265817 /nfs/dbraw/zinc/26/58/17/1421265817.db2.gz BRMYRUZZNHAFHU-HOCLYGCPSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717330937 1421265819 /nfs/dbraw/zinc/26/58/19/1421265819.db2.gz BRMYRUZZNHAFHU-HOCLYGCPSA-N 2 2 328.460 3.336 10 0 EGAELP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001717361354 1421296382 /nfs/dbraw/zinc/29/63/82/1421296382.db2.gz OKCUVQPEOQFPDA-XFQXTVEOSA-N 2 2 340.471 3.006 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379082 1421322738 /nfs/dbraw/zinc/32/27/38/1421322738.db2.gz QBYAOEFDUIRZRM-MSOLQXFVSA-N 2 2 346.519 3.011 10 0 EGAELP CCCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379082 1421322741 /nfs/dbraw/zinc/32/27/41/1421322741.db2.gz QBYAOEFDUIRZRM-MSOLQXFVSA-N 2 2 346.519 3.011 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCCC1CCC1 ZINC001717415237 1421346618 /nfs/dbraw/zinc/34/66/18/1421346618.db2.gz JBNAGOONLASAGF-UONOGXRCSA-N 2 2 328.460 3.240 10 0 EGAELP CCCC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582178 1421508468 /nfs/dbraw/zinc/50/84/68/1421508468.db2.gz DBEGJWOCKNCQLW-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CCCC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582178 1421508470 /nfs/dbraw/zinc/50/84/70/1421508470.db2.gz DBEGJWOCKNCQLW-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001717878363 1421683936 /nfs/dbraw/zinc/68/39/36/1421683936.db2.gz WQIZLIKHDXVDLM-AEFFLSMTSA-N 2 2 340.471 3.161 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001717902403 1421698946 /nfs/dbraw/zinc/69/89/46/1421698946.db2.gz XMSAVJOBFOXZID-MZIIKBMYSA-N 2 2 346.519 3.407 10 0 EGAELP C[C@H](CC(=O)N(C)C1CC([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001717997030 1421764907 /nfs/dbraw/zinc/76/49/07/1421764907.db2.gz CABBPQUPXMUIIA-IPJUCJBFSA-N 2 2 346.519 3.384 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001722946509 1424273089 /nfs/dbraw/zinc/27/30/89/1424273089.db2.gz WGMUMLMVDZBRAM-ZWKOTPCHSA-N 2 2 348.535 3.364 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001724303082 1424786950 /nfs/dbraw/zinc/78/69/50/1424786950.db2.gz SXCRRRWHEXMIEM-SREVYHEPSA-N 2 2 346.519 3.225 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724901955 1425297380 /nfs/dbraw/zinc/29/73/80/1425297380.db2.gz ZRBDOJCCSHVPJI-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724901955 1425297384 /nfs/dbraw/zinc/29/73/84/1425297384.db2.gz ZRBDOJCCSHVPJI-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001725055602 1425491808 /nfs/dbraw/zinc/49/18/08/1425491808.db2.gz MYQJBWPJFZNVOT-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001725055602 1425491812 /nfs/dbraw/zinc/49/18/12/1425491812.db2.gz MYQJBWPJFZNVOT-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001725197080 1425751289 /nfs/dbraw/zinc/75/12/89/1425751289.db2.gz SANQUEFVWQDANF-NVXWUHKLSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001725197080 1425751296 /nfs/dbraw/zinc/75/12/96/1425751296.db2.gz SANQUEFVWQDANF-NVXWUHKLSA-N 2 2 342.487 3.075 10 0 EGAELP CC1(C)C[N@H+](CCCC2CCCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001725293577 1425941170 /nfs/dbraw/zinc/94/11/70/1425941170.db2.gz KNJRAISSFOPFHX-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CCCC2CCCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001725293577 1425941174 /nfs/dbraw/zinc/94/11/74/1425941174.db2.gz KNJRAISSFOPFHX-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCC[NH2+]CC3CCCC3)ccn12 ZINC001725387166 1426034021 /nfs/dbraw/zinc/03/40/21/1426034021.db2.gz NAUSDFWXFZBECE-OAHLLOKOSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001725730135 1426399295 /nfs/dbraw/zinc/39/92/95/1426399295.db2.gz BNXGMYUIDMMGHM-UHFFFAOYSA-N 2 2 340.471 3.065 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001725730135 1426399303 /nfs/dbraw/zinc/39/93/03/1426399303.db2.gz BNXGMYUIDMMGHM-UHFFFAOYSA-N 2 2 340.471 3.065 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725767604 1426450437 /nfs/dbraw/zinc/45/04/37/1426450437.db2.gz LUZNWFPICWCWLO-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731291586 1427233655 /nfs/dbraw/zinc/23/36/55/1427233655.db2.gz ASRJAMINGSFPQZ-IRXDYDNUSA-N 2 2 340.471 3.273 10 0 EGAELP CC/C=C\CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396208 1427351935 /nfs/dbraw/zinc/35/19/35/1427351935.db2.gz MXQKZQCNFCBZDG-DDKKJVIOSA-N 2 2 326.444 3.017 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731515327 1427502583 /nfs/dbraw/zinc/50/25/83/1427502583.db2.gz CRIXQZMFFJVSLD-OAHLLOKOSA-N 2 2 342.487 3.441 10 0 EGAELP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001731569427 1427609179 /nfs/dbraw/zinc/60/91/79/1427609179.db2.gz COWNIMDVTKLZBX-WWDZGPRUSA-N 2 2 346.519 3.043 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001733689844 1429906371 /nfs/dbraw/zinc/90/63/71/1429906371.db2.gz BFXJNICCPUZOMR-IYARVYRRSA-N 2 2 344.503 3.107 10 0 EGAELP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001733809536 1430085022 /nfs/dbraw/zinc/08/50/22/1430085022.db2.gz MIDFJYCGDCEPNB-SREVYHEPSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733919128 1437732425 /nfs/dbraw/zinc/73/24/25/1437732425.db2.gz ZTGTUQFLZJFEGH-QZTJIDSGSA-N 2 2 346.519 3.264 10 0 EGAELP CCCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733919128 1437732426 /nfs/dbraw/zinc/73/24/26/1437732426.db2.gz ZTGTUQFLZJFEGH-QZTJIDSGSA-N 2 2 346.519 3.264 10 0 EGAELP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733919128 1437732427 /nfs/dbraw/zinc/73/24/27/1437732427.db2.gz ZTGTUQFLZJFEGH-QZTJIDSGSA-N 2 2 346.519 3.264 10 0 EGAELP CCCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733919128 1437732428 /nfs/dbraw/zinc/73/24/28/1437732428.db2.gz ZTGTUQFLZJFEGH-QZTJIDSGSA-N 2 2 346.519 3.264 10 0 EGAELP CC(C)C[C@H](C(=O)NC1(C[NH2+]CC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001734086186 1437871923 /nfs/dbraw/zinc/87/19/23/1437871923.db2.gz CFVSHQLZXJEMSY-GOSISDBHSA-N 2 2 346.519 3.289 10 0 EGAELP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC001734145523 1437913311 /nfs/dbraw/zinc/91/33/11/1437913311.db2.gz JRBIDFFODJEWON-QGZVFWFLSA-N 2 2 342.487 3.273 10 0 EGAELP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC001734145523 1437913313 /nfs/dbraw/zinc/91/33/13/1437913313.db2.gz JRBIDFFODJEWON-QGZVFWFLSA-N 2 2 342.487 3.273 10 0 EGAELP CCCCC[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001734584804 1438175327 /nfs/dbraw/zinc/17/53/27/1438175327.db2.gz UHHSEWDPGNTUDJ-INIZCTEOSA-N 2 2 347.503 3.040 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750943893 1440117329 /nfs/dbraw/zinc/11/73/29/1440117329.db2.gz IDGIVFAXDBDCIB-SFHVURJKSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750943893 1440117331 /nfs/dbraw/zinc/11/73/31/1440117331.db2.gz IDGIVFAXDBDCIB-SFHVURJKSA-N 2 2 348.535 3.316 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001750945218 1440118107 /nfs/dbraw/zinc/11/81/07/1440118107.db2.gz RQNBGOKBHARMSN-INIZCTEOSA-N 2 2 334.508 3.058 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001750945218 1440118108 /nfs/dbraw/zinc/11/81/08/1440118108.db2.gz RQNBGOKBHARMSN-INIZCTEOSA-N 2 2 334.508 3.058 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946275 1440118742 /nfs/dbraw/zinc/11/87/42/1440118742.db2.gz ZBUGNFLTUBBVIZ-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946275 1440118743 /nfs/dbraw/zinc/11/87/43/1440118743.db2.gz ZBUGNFLTUBBVIZ-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946275 1440118744 /nfs/dbraw/zinc/11/87/44/1440118744.db2.gz ZBUGNFLTUBBVIZ-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946275 1440118745 /nfs/dbraw/zinc/11/87/45/1440118745.db2.gz ZBUGNFLTUBBVIZ-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP Clc1ccccc1CN1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368096794 168310459 /nfs/dbraw/zinc/31/04/59/168310459.db2.gz CACNIQXKODSVSY-MRXNPFEDSA-N 2 2 344.890 3.175 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCC ZINC000368103795 168311876 /nfs/dbraw/zinc/31/18/76/168311876.db2.gz YSKQRMMNSHPTQH-DZGCQCFKSA-N 2 2 329.444 3.415 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OCC ZINC000368103795 168311879 /nfs/dbraw/zinc/31/18/79/168311879.db2.gz YSKQRMMNSHPTQH-DZGCQCFKSA-N 2 2 329.444 3.415 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000368450036 168357913 /nfs/dbraw/zinc/35/79/13/168357913.db2.gz OYHDNCLBJBFKTK-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000368450036 168357915 /nfs/dbraw/zinc/35/79/15/168357915.db2.gz OYHDNCLBJBFKTK-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000368450036 168357916 /nfs/dbraw/zinc/35/79/16/168357916.db2.gz OYHDNCLBJBFKTK-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000368450036 168357918 /nfs/dbraw/zinc/35/79/18/168357918.db2.gz OYHDNCLBJBFKTK-NRFANRHFSA-N 2 2 336.483 3.273 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530122 168368978 /nfs/dbraw/zinc/36/89/78/168368978.db2.gz ISIQGYPORBNCQG-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530122 168368980 /nfs/dbraw/zinc/36/89/80/168368980.db2.gz ISIQGYPORBNCQG-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530122 168368987 /nfs/dbraw/zinc/36/89/87/168368987.db2.gz ISIQGYPORBNCQG-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP Fc1ccc2cc[nH+]c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000354882907 283010764 /nfs/dbraw/zinc/01/07/64/283010764.db2.gz TZQQCXATXROJAN-SFHVURJKSA-N 2 2 343.446 3.455 10 0 EGAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000022029581 202077644 /nfs/dbraw/zinc/07/76/44/202077644.db2.gz PSFCULPJDVAHSZ-RBUKOAKNSA-N 2 2 348.531 3.106 10 0 EGAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000022029581 202077647 /nfs/dbraw/zinc/07/76/47/202077647.db2.gz PSFCULPJDVAHSZ-RBUKOAKNSA-N 2 2 348.531 3.106 10 0 EGAELP COc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187032293 236099507 /nfs/dbraw/zinc/09/95/07/236099507.db2.gz SCRUYWMDPJWEAI-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187032293 236099509 /nfs/dbraw/zinc/09/95/09/236099509.db2.gz SCRUYWMDPJWEAI-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187032293 236099511 /nfs/dbraw/zinc/09/95/11/236099511.db2.gz SCRUYWMDPJWEAI-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187032293 236099514 /nfs/dbraw/zinc/09/95/14/236099514.db2.gz SCRUYWMDPJWEAI-JSGCOSHPSA-N 2 2 341.293 3.372 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)CCO1 ZINC000275698539 201285650 /nfs/dbraw/zinc/28/56/50/201285650.db2.gz XLFOXEHZWDMQBY-WMZOPIPTSA-N 2 2 341.455 3.144 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287943115 201334240 /nfs/dbraw/zinc/33/42/40/201334240.db2.gz XOTNCHHDEQMYHQ-QFBILLFUSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287943115 201334244 /nfs/dbraw/zinc/33/42/44/201334244.db2.gz XOTNCHHDEQMYHQ-QFBILLFUSA-N 2 2 325.456 3.090 10 0 EGAELP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)c[nH+]1 ZINC000371321129 242033592 /nfs/dbraw/zinc/03/35/92/242033592.db2.gz ODAXPAHWHUXKTB-SFHVURJKSA-N 2 2 344.503 3.240 10 0 EGAELP CCc1c(C)[nH+]c(-c2ccc(OC)cc2)nc1NC1CC[NH2+]CC1 ZINC000070451725 203076124 /nfs/dbraw/zinc/07/61/24/203076124.db2.gz YZZKXTHSCZZJFS-UHFFFAOYSA-N 2 2 326.444 3.187 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000105897914 204177823 /nfs/dbraw/zinc/17/78/23/204177823.db2.gz WZNOGFAFLJJDQL-SFHVURJKSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000105897914 204177827 /nfs/dbraw/zinc/17/78/27/204177827.db2.gz WZNOGFAFLJJDQL-SFHVURJKSA-N 2 2 326.444 3.241 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000266017376 248032772 /nfs/dbraw/zinc/03/27/72/248032772.db2.gz VGQYRFSBKNYUCH-DZGCQCFKSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000266017376 248032775 /nfs/dbraw/zinc/03/27/75/248032775.db2.gz VGQYRFSBKNYUCH-DZGCQCFKSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000266017376 248032777 /nfs/dbraw/zinc/03/27/77/248032777.db2.gz VGQYRFSBKNYUCH-DZGCQCFKSA-N 2 2 338.879 3.416 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000266017376 248032781 /nfs/dbraw/zinc/03/27/81/248032781.db2.gz VGQYRFSBKNYUCH-DZGCQCFKSA-N 2 2 338.879 3.416 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000377715780 169067444 /nfs/dbraw/zinc/06/74/44/169067444.db2.gz ABUSIBRGFGQGRT-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000377715780 169067447 /nfs/dbraw/zinc/06/74/47/169067447.db2.gz ABUSIBRGFGQGRT-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378330520 169102205 /nfs/dbraw/zinc/10/22/05/169102205.db2.gz BDNUZYWWOSHHRN-UHFFFAOYSA-N 2 2 343.381 3.458 10 0 EGAELP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177082179 207291518 /nfs/dbraw/zinc/29/15/18/207291518.db2.gz RRPOPTFSZJVQJC-LJQANCHMSA-N 2 2 348.450 3.483 10 0 EGAELP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177082179 207291522 /nfs/dbraw/zinc/29/15/22/207291522.db2.gz RRPOPTFSZJVQJC-LJQANCHMSA-N 2 2 348.450 3.483 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000328627882 258031160 /nfs/dbraw/zinc/03/11/60/258031160.db2.gz GRRFBUOKRQGGOD-AEFFLSMTSA-N 2 2 340.402 3.117 10 0 EGAELP CCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328655356 258019298 /nfs/dbraw/zinc/01/92/98/258019298.db2.gz YFVIIEJMWSDOPA-PXNSSMCTSA-N 2 2 340.471 3.000 10 0 EGAELP CCOc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328655356 258019299 /nfs/dbraw/zinc/01/92/99/258019299.db2.gz YFVIIEJMWSDOPA-PXNSSMCTSA-N 2 2 340.471 3.000 10 0 EGAELP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328655356 258019300 /nfs/dbraw/zinc/01/93/00/258019300.db2.gz YFVIIEJMWSDOPA-PXNSSMCTSA-N 2 2 340.471 3.000 10 0 EGAELP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328655356 258019301 /nfs/dbraw/zinc/01/93/01/258019301.db2.gz YFVIIEJMWSDOPA-PXNSSMCTSA-N 2 2 340.471 3.000 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000346208963 141181259 /nfs/dbraw/zinc/18/12/59/141181259.db2.gz OBOBXJSDGHVHMP-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000346208963 141181260 /nfs/dbraw/zinc/18/12/60/141181260.db2.gz OBOBXJSDGHVHMP-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2cnccn2)cc1 ZINC000346441272 141195658 /nfs/dbraw/zinc/19/56/58/141195658.db2.gz LFWNWZLNARNJNP-HXUWFJFHSA-N 2 2 347.397 3.185 10 0 EGAELP CCC[NH+](CCC)CCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000350729792 141263199 /nfs/dbraw/zinc/26/31/99/141263199.db2.gz PXOUKBJZFRCSBI-UHFFFAOYSA-N 2 2 327.476 3.193 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299511 /nfs/dbraw/zinc/29/95/11/141299511.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299513 /nfs/dbraw/zinc/29/95/13/141299513.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299515 /nfs/dbraw/zinc/29/95/15/141299515.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299518 /nfs/dbraw/zinc/29/95/18/141299518.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 2 2 331.504 3.269 10 0 EGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000183704696 144077738 /nfs/dbraw/zinc/07/77/38/144077738.db2.gz VLNUIDLFDBTSGL-OAHLLOKOSA-N 2 2 329.444 3.141 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000187591138 144161855 /nfs/dbraw/zinc/16/18/55/144161855.db2.gz TZASRVPUKUYNEF-KXBFYZLASA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000187591138 144161856 /nfs/dbraw/zinc/16/18/56/144161856.db2.gz TZASRVPUKUYNEF-KXBFYZLASA-N 2 2 343.446 3.230 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000351536416 144275547 /nfs/dbraw/zinc/27/55/47/144275547.db2.gz OUXOHTIZOGNLSE-HZPDHXFCSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000351536416 144275548 /nfs/dbraw/zinc/27/55/48/144275548.db2.gz OUXOHTIZOGNLSE-HZPDHXFCSA-N 2 2 342.487 3.114 10 0 EGAELP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CC)C(=O)OCC ZINC000361651451 144343340 /nfs/dbraw/zinc/34/33/40/144343340.db2.gz CWHSSXPCIPHKNT-MRXNPFEDSA-N 2 2 335.473 3.488 10 0 EGAELP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CC)C(=O)OCC ZINC000361651451 144343341 /nfs/dbraw/zinc/34/33/41/144343341.db2.gz CWHSSXPCIPHKNT-MRXNPFEDSA-N 2 2 335.473 3.488 10 0 EGAELP CCc1sc(-c2nnc(C[N@H+](C)CCCn3cc[nH+]c3)o2)cc1C ZINC000341140390 155185286 /nfs/dbraw/zinc/18/52/86/155185286.db2.gz URVHVXWJLONRQJ-UHFFFAOYSA-N 2 2 345.472 3.388 10 0 EGAELP CCc1sc(-c2nnc(C[N@@H+](C)CCCn3cc[nH+]c3)o2)cc1C ZINC000341140390 155185287 /nfs/dbraw/zinc/18/52/87/155185287.db2.gz URVHVXWJLONRQJ-UHFFFAOYSA-N 2 2 345.472 3.388 10 0 EGAELP Fc1ccc(F)c(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341268124 155220392 /nfs/dbraw/zinc/22/03/92/155220392.db2.gz DBVHIUWEURBREF-UHFFFAOYSA-N 2 2 331.410 3.157 10 0 EGAELP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121808259 152373142 /nfs/dbraw/zinc/37/31/42/152373142.db2.gz LXVUNOQMIULSEA-FQEVSTJZSA-N 2 2 326.488 3.181 10 0 EGAELP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121808259 152373146 /nfs/dbraw/zinc/37/31/46/152373146.db2.gz LXVUNOQMIULSEA-FQEVSTJZSA-N 2 2 326.488 3.181 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000189721092 153092600 /nfs/dbraw/zinc/09/26/00/153092600.db2.gz IEPXHJJHQLRNPD-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000191190122 153178555 /nfs/dbraw/zinc/17/85/55/153178555.db2.gz IYZOHWNCSARSJI-RDTXWAMCSA-N 2 2 331.485 3.324 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000191190122 153178557 /nfs/dbraw/zinc/17/85/57/153178557.db2.gz IYZOHWNCSARSJI-RDTXWAMCSA-N 2 2 331.485 3.324 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)c[nH+]1 ZINC000337408316 154338202 /nfs/dbraw/zinc/33/82/02/154338202.db2.gz VGJJAAHWEUMMSF-LJQANCHMSA-N 2 2 325.456 3.370 10 0 EGAELP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460249 154364273 /nfs/dbraw/zinc/36/42/73/154364273.db2.gz ZKWIVRXVPMSVCQ-GJZGRUSLSA-N 2 2 333.476 3.129 10 0 EGAELP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460249 154364274 /nfs/dbraw/zinc/36/42/74/154364274.db2.gz ZKWIVRXVPMSVCQ-GJZGRUSLSA-N 2 2 333.476 3.129 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682119 157263728 /nfs/dbraw/zinc/26/37/28/157263728.db2.gz FVWSXVJNBPIDDH-XLIONFOSSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682119 157263731 /nfs/dbraw/zinc/26/37/31/157263731.db2.gz FVWSXVJNBPIDDH-XLIONFOSSA-N 2 2 341.503 3.046 10 0 EGAELP CCc1oc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1C(=O)OC ZINC000338942523 163396161 /nfs/dbraw/zinc/39/61/61/163396161.db2.gz LUWFNKVZDLUDDD-UHFFFAOYSA-N 2 2 348.418 3.119 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CCO)c1ccccc1 ZINC000346192205 164359871 /nfs/dbraw/zinc/35/98/71/164359871.db2.gz DKIRPKYFQHQBPF-SFHVURJKSA-N 2 2 327.453 3.489 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CCO)c1ccccc1 ZINC000346192205 164359872 /nfs/dbraw/zinc/35/98/72/164359872.db2.gz DKIRPKYFQHQBPF-SFHVURJKSA-N 2 2 327.453 3.489 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000353227201 165683845 /nfs/dbraw/zinc/68/38/45/165683845.db2.gz AXQBUQHERPKOPP-HLAWJBBLSA-N 2 2 343.515 3.231 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000358996539 167031601 /nfs/dbraw/zinc/03/16/01/167031601.db2.gz UDOHCPHBCHHPEP-UHFFFAOYSA-N 2 2 339.277 3.174 10 0 EGAELP CCn1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000365051953 168016409 /nfs/dbraw/zinc/01/64/09/168016409.db2.gz ZLQRWSUOYNSSJR-UHFFFAOYSA-N 2 2 335.455 3.210 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367435780 168224860 /nfs/dbraw/zinc/22/48/60/168224860.db2.gz CZWBGQXLIIWZBO-XLIONFOSSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367435780 168224861 /nfs/dbraw/zinc/22/48/61/168224861.db2.gz CZWBGQXLIIWZBO-XLIONFOSSA-N 2 2 338.499 3.220 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367596981 168247310 /nfs/dbraw/zinc/24/73/10/168247310.db2.gz KWTTZJGBLHTDJF-ZHALLVOQSA-N 3 2 326.488 3.197 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367596981 168247312 /nfs/dbraw/zinc/24/73/12/168247312.db2.gz KWTTZJGBLHTDJF-ZHALLVOQSA-N 3 2 326.488 3.197 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000194211400 266098273 /nfs/dbraw/zinc/09/82/73/266098273.db2.gz FDUXKPOSLVAVPE-GOSISDBHSA-N 2 2 349.563 3.269 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269661879 266335544 /nfs/dbraw/zinc/33/55/44/266335544.db2.gz ULPWHKRRDJZLAE-SJORKVTESA-N 2 2 343.471 3.152 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000252213747 274394726 /nfs/dbraw/zinc/39/47/26/274394726.db2.gz YTHAWDYAENILDU-ZLDLUXBVSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CC[N@H+]1C ZINC000252213747 274394727 /nfs/dbraw/zinc/39/47/27/274394727.db2.gz YTHAWDYAENILDU-ZLDLUXBVSA-N 2 2 339.277 3.345 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000106216121 275167991 /nfs/dbraw/zinc/16/79/91/275167991.db2.gz LSHADGVEXGCDKN-ABHNRTSZSA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000106216121 275167993 /nfs/dbraw/zinc/16/79/93/275167993.db2.gz LSHADGVEXGCDKN-ABHNRTSZSA-N 2 2 346.519 3.120 10 0 EGAELP Cc1nc(F)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279737207 275354840 /nfs/dbraw/zinc/35/48/40/275354840.db2.gz WTNJEAPBZQJZQW-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279737207 275354842 /nfs/dbraw/zinc/35/48/42/275354842.db2.gz WTNJEAPBZQJZQW-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1nc(F)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279737207 275354844 /nfs/dbraw/zinc/35/48/44/275354844.db2.gz WTNJEAPBZQJZQW-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Cc1nc(F)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279737207 275354846 /nfs/dbraw/zinc/35/48/46/275354846.db2.gz WTNJEAPBZQJZQW-KDURUIRLSA-N 2 2 325.431 3.093 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000339362397 275374976 /nfs/dbraw/zinc/37/49/76/275374976.db2.gz QWGMMSDZPURKLB-ZIAGYGMSSA-N 2 2 346.272 3.108 10 0 EGAELP c1cc(C[NH+]2CCCC3(CCC[N@@H+](Cc4ccncc4)C3)C2)ccn1 ZINC000289423696 276336956 /nfs/dbraw/zinc/33/69/56/276336956.db2.gz IFGDENBJPQLNPZ-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP c1cc(C[NH+]2CCCC3(CCC[N@H+](Cc4ccncc4)C3)C2)ccn1 ZINC000289423696 276336957 /nfs/dbraw/zinc/33/69/57/276336957.db2.gz IFGDENBJPQLNPZ-UHFFFAOYSA-N 2 2 336.483 3.355 10 0 EGAELP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000291803660 276693522 /nfs/dbraw/zinc/69/35/22/276693522.db2.gz ZOFPIQXPMKAZMV-INIZCTEOSA-N 2 2 344.503 3.439 10 0 EGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131382186 307642184 /nfs/dbraw/zinc/64/21/84/307642184.db2.gz OHDKTRCGWAVLRZ-JCYILVPMSA-N 2 2 326.525 3.453 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3C[C@H]3C)CC2)cc1 ZINC000414157111 309063726 /nfs/dbraw/zinc/06/37/26/309063726.db2.gz XLVZKYDIHJJWFH-SXGZJXTBSA-N 2 2 329.488 3.244 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)n1C ZINC000414359589 309075253 /nfs/dbraw/zinc/07/52/53/309075253.db2.gz ORMCRWOXYWOVPI-LBPRGKRZSA-N 2 2 341.242 3.016 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414395611 309077390 /nfs/dbraw/zinc/07/73/90/309077390.db2.gz KNFNKBQTBHQBGD-KDOFPFPSSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414395611 309077391 /nfs/dbraw/zinc/07/73/91/309077391.db2.gz KNFNKBQTBHQBGD-KDOFPFPSSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000414395611 309077392 /nfs/dbraw/zinc/07/73/92/309077392.db2.gz KNFNKBQTBHQBGD-KDOFPFPSSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000414395611 309077393 /nfs/dbraw/zinc/07/73/93/309077393.db2.gz KNFNKBQTBHQBGD-KDOFPFPSSA-N 2 2 330.451 3.234 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414834165 309104613 /nfs/dbraw/zinc/10/46/13/309104613.db2.gz QIDXEAXEUDMVRE-CXAGYDPISA-N 2 2 331.847 3.347 10 0 EGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1Br ZINC000313268245 308764969 /nfs/dbraw/zinc/76/49/69/308764969.db2.gz VYSNCHVXRQWURL-JTQLQIEISA-N 2 2 326.213 3.215 10 0 EGAELP COc1ccc2oc(C[NH+]3CCN(c4c[nH+]ccc4C)CC3)cc2c1 ZINC000343658574 308881506 /nfs/dbraw/zinc/88/15/06/308881506.db2.gz MPZBZPLRZNIOKG-UHFFFAOYSA-N 2 2 337.423 3.467 10 0 EGAELP Brc1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052270 309116815 /nfs/dbraw/zinc/11/68/15/309116815.db2.gz NBBZBJQSMFCIHH-SMDDNHRTSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052270 309116816 /nfs/dbraw/zinc/11/68/16/309116816.db2.gz NBBZBJQSMFCIHH-SMDDNHRTSA-N 2 2 329.307 3.475 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000415075319 309118586 /nfs/dbraw/zinc/11/85/86/309118586.db2.gz BIHMTMHOUUYFSS-XLIONFOSSA-N 3 2 326.488 3.332 10 0 EGAELP Cc1cc(C)c(NC(=O)N(CC[NH3+])CCc2ccccc2)c(C)[nH+]1 ZINC000415732175 309142527 /nfs/dbraw/zinc/14/25/27/309142527.db2.gz HHSRZACISZATBI-UHFFFAOYSA-N 2 2 326.444 3.042 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420353309 309283660 /nfs/dbraw/zinc/28/36/60/309283660.db2.gz BOXWPGPNSDGAQS-GOSISDBHSA-N 2 2 331.504 3.247 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000420346878 309283677 /nfs/dbraw/zinc/28/36/77/309283677.db2.gz DXENOYZAMMPILW-NRFANRHFSA-N 2 2 337.467 3.236 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000420346878 309283678 /nfs/dbraw/zinc/28/36/78/309283678.db2.gz DXENOYZAMMPILW-NRFANRHFSA-N 2 2 337.467 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420396081 309286425 /nfs/dbraw/zinc/28/64/25/309286425.db2.gz LPDVXAYRFXBSMT-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420396081 309286426 /nfs/dbraw/zinc/28/64/26/309286426.db2.gz LPDVXAYRFXBSMT-YOEHRIQHSA-N 2 2 335.879 3.051 10 0 EGAELP c1cc(C[N@@H+]2CCOCC23CCCCC3)ccc1C[NH+]1CCOCC1 ZINC000420973500 309305363 /nfs/dbraw/zinc/30/53/63/309305363.db2.gz NJZPTUQCQNYQOT-UHFFFAOYSA-N 2 2 344.499 3.054 10 0 EGAELP c1cc(C[N@H+]2CCOCC23CCCCC3)ccc1C[NH+]1CCOCC1 ZINC000420973500 309305364 /nfs/dbraw/zinc/30/53/64/309305364.db2.gz NJZPTUQCQNYQOT-UHFFFAOYSA-N 2 2 344.499 3.054 10 0 EGAELP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422717930 309364607 /nfs/dbraw/zinc/36/46/07/309364607.db2.gz KWMVLDSVZVRAPN-CQSZACIVSA-N 2 2 326.444 3.330 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(F)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422734157 309365723 /nfs/dbraw/zinc/36/57/23/309365723.db2.gz SCHQVDGTGDUTMY-PMACEKPBSA-N 2 2 328.431 3.460 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422751374 309366620 /nfs/dbraw/zinc/36/66/20/309366620.db2.gz FWFXMMQYFRNZBZ-VQTJNVASSA-N 2 2 326.440 3.157 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422941526 309377403 /nfs/dbraw/zinc/37/74/03/309377403.db2.gz OVRBFDCJBKMONW-PMACEKPBSA-N 2 2 344.430 3.296 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000422953282 309377950 /nfs/dbraw/zinc/37/79/50/309377950.db2.gz DVDGXZAZSDXPFI-HFAKWTLXSA-N 2 2 329.271 3.337 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075912 309384600 /nfs/dbraw/zinc/38/46/00/309384600.db2.gz XXWALXWBLTZDRO-MJVIPROJSA-N 2 2 327.266 3.249 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224351 309391265 /nfs/dbraw/zinc/39/12/65/309391265.db2.gz BYNSZLZTZXVHJR-CVEARBPZSA-N 2 2 340.471 3.104 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423233007 309391525 /nfs/dbraw/zinc/39/15/25/309391525.db2.gz DBRYLUWZLYKXLQ-QAPCUYQASA-N 2 2 344.455 3.071 10 0 EGAELP Clc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423234117 309391542 /nfs/dbraw/zinc/39/15/42/309391542.db2.gz PCFAZDQZAPVFTR-QGZVFWFLSA-N 2 2 328.847 3.244 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252899 309392293 /nfs/dbraw/zinc/39/22/93/309392293.db2.gz YBEQJMVDADWASH-SCLBCKFNSA-N 2 2 327.428 3.004 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427893840 309537823 /nfs/dbraw/zinc/53/78/23/309537823.db2.gz JRIVOBHLWCQPEA-IUODEOHRSA-N 2 2 336.361 3.279 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000449076536 310035151 /nfs/dbraw/zinc/03/51/51/310035151.db2.gz UBKJTRSFOVXMHY-GOSISDBHSA-N 2 2 345.531 3.482 10 0 EGAELP c1nc(C2CC2)oc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449703448 310081652 /nfs/dbraw/zinc/08/16/52/310081652.db2.gz GETCIYAJNLXZQH-UHFFFAOYSA-N 2 2 325.456 3.349 10 0 EGAELP C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450649114 310134906 /nfs/dbraw/zinc/13/49/06/310134906.db2.gz QAQSPBKGSZPQRQ-VDUMAWNISA-N 2 2 327.516 3.048 10 0 EGAELP C[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450649114 310134907 /nfs/dbraw/zinc/13/49/07/310134907.db2.gz QAQSPBKGSZPQRQ-VDUMAWNISA-N 2 2 327.516 3.048 10 0 EGAELP CCn1cc[nH+]c1CNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000450679544 310136857 /nfs/dbraw/zinc/13/68/57/310136857.db2.gz JWLNUUJCVNVLJJ-UHFFFAOYSA-N 2 2 332.354 3.395 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927732 310150234 /nfs/dbraw/zinc/15/02/34/310150234.db2.gz QHHBIRFEUCCZDP-CQSZACIVSA-N 2 2 343.500 3.328 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927732 310150235 /nfs/dbraw/zinc/15/02/35/310150235.db2.gz QHHBIRFEUCCZDP-CQSZACIVSA-N 2 2 343.500 3.328 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251793 310266916 /nfs/dbraw/zinc/26/69/16/310266916.db2.gz BMFBIOCSTSGFIG-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251793 310266917 /nfs/dbraw/zinc/26/69/17/310266917.db2.gz BMFBIOCSTSGFIG-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258592 310267419 /nfs/dbraw/zinc/26/74/19/310267419.db2.gz HWZVFBPDRXIRTN-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258592 310267420 /nfs/dbraw/zinc/26/74/20/310267420.db2.gz HWZVFBPDRXIRTN-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265711 310268047 /nfs/dbraw/zinc/26/80/47/310268047.db2.gz NSHLDFZZGLESQW-UTKZUKDTSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265711 310268048 /nfs/dbraw/zinc/26/80/48/310268048.db2.gz NSHLDFZZGLESQW-UTKZUKDTSA-N 2 2 339.483 3.246 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000459656732 310566540 /nfs/dbraw/zinc/56/65/40/310566540.db2.gz HRKJCOISDJNJNJ-UHFFFAOYSA-N 2 2 349.482 3.291 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660901 310566953 /nfs/dbraw/zinc/56/69/53/310566953.db2.gz LXICSQSRBAYPJV-HNNXBMFYSA-N 2 2 328.460 3.093 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000491061404 311162710 /nfs/dbraw/zinc/16/27/10/311162710.db2.gz MQMZKQPWELMPAV-HXUWFJFHSA-N 2 2 349.563 3.271 10 0 EGAELP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000491061404 311162711 /nfs/dbraw/zinc/16/27/11/311162711.db2.gz MQMZKQPWELMPAV-HXUWFJFHSA-N 2 2 349.563 3.271 10 0 EGAELP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452061 312117458 /nfs/dbraw/zinc/11/74/58/312117458.db2.gz KERHHAPKEWRWOI-AGOPTVSRSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452061 312117459 /nfs/dbraw/zinc/11/74/59/312117459.db2.gz KERHHAPKEWRWOI-AGOPTVSRSA-N 2 2 336.479 3.422 10 0 EGAELP C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC12CCCCC2 ZINC000517244708 312371693 /nfs/dbraw/zinc/37/16/93/312371693.db2.gz LWVLPLAGZHGSHI-UHFFFAOYSA-N 2 2 338.499 3.382 10 0 EGAELP C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC12CCCCC2 ZINC000517244708 312371695 /nfs/dbraw/zinc/37/16/95/312371695.db2.gz LWVLPLAGZHGSHI-UHFFFAOYSA-N 2 2 338.499 3.382 10 0 EGAELP CO[C@@H](C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000528404748 313085831 /nfs/dbraw/zinc/08/58/31/313085831.db2.gz IUHKDSWCJOGTJA-SFHVURJKSA-N 2 2 329.419 3.039 10 0 EGAELP c1cn(CCC[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c[nH+]1 ZINC000528578927 313122683 /nfs/dbraw/zinc/12/26/83/313122683.db2.gz SDDRRNFVKDZVCA-UHFFFAOYSA-N 2 2 343.475 3.269 10 0 EGAELP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216946 313498740 /nfs/dbraw/zinc/49/87/40/313498740.db2.gz QYQBOROPVOCMIJ-JXFKEZNVSA-N 3 2 345.531 3.472 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063695 314021856 /nfs/dbraw/zinc/02/18/56/314021856.db2.gz CLBYIXVQNAQYJC-UKRRQHHQSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063695 314021860 /nfs/dbraw/zinc/02/18/60/314021860.db2.gz CLBYIXVQNAQYJC-UKRRQHHQSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063696 314021981 /nfs/dbraw/zinc/02/19/81/314021981.db2.gz CLBYIXVQNAQYJC-ZFWWWQNUSA-N 2 2 328.859 3.487 10 0 EGAELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535063696 314021984 /nfs/dbraw/zinc/02/19/84/314021984.db2.gz CLBYIXVQNAQYJC-ZFWWWQNUSA-N 2 2 328.859 3.487 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc[nH+]c(C)c2)c(C)c1 ZINC000535061432 314022143 /nfs/dbraw/zinc/02/21/43/314022143.db2.gz SQEVMMTVXHWKOW-LJQANCHMSA-N 2 2 349.438 3.188 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961526 314287531 /nfs/dbraw/zinc/28/75/31/314287531.db2.gz OOOGJLHJVNJCNF-FZMZJTMJSA-N 2 2 347.532 3.052 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961526 314287533 /nfs/dbraw/zinc/28/75/33/314287533.db2.gz OOOGJLHJVNJCNF-FZMZJTMJSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961526 314287537 /nfs/dbraw/zinc/28/75/37/314287537.db2.gz OOOGJLHJVNJCNF-FZMZJTMJSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@@H](C)C1 ZINC000538961526 314287540 /nfs/dbraw/zinc/28/75/40/314287540.db2.gz OOOGJLHJVNJCNF-FZMZJTMJSA-N 2 2 347.532 3.052 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635800 315028853 /nfs/dbraw/zinc/02/88/53/315028853.db2.gz CHUHJLQJGWFYNW-MAUKXSAKSA-N 2 2 340.471 3.328 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000554586546 315336066 /nfs/dbraw/zinc/33/60/66/315336066.db2.gz KQJDPOPYLOLVIS-RHSMWYFYSA-N 2 2 336.395 3.346 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000554586546 315336069 /nfs/dbraw/zinc/33/60/69/315336069.db2.gz KQJDPOPYLOLVIS-RHSMWYFYSA-N 2 2 336.395 3.346 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000563780356 316067093 /nfs/dbraw/zinc/06/70/93/316067093.db2.gz SRCRAACXPIMFTK-UXHICEINSA-N 2 2 349.482 3.481 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076472 316110276 /nfs/dbraw/zinc/11/02/76/316110276.db2.gz BKJFQCPVPILRRM-XHDPSFHLSA-N 2 2 329.271 3.025 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000564076472 316110280 /nfs/dbraw/zinc/11/02/80/316110280.db2.gz BKJFQCPVPILRRM-XHDPSFHLSA-N 2 2 329.271 3.025 10 0 EGAELP COc1cccc([C@H]2[C@@H](NCc3[nH]c(C)c(C)[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000565372418 316316031 /nfs/dbraw/zinc/31/60/31/316316031.db2.gz OQHPKCCSHSNPTM-ICSRJNTNSA-N 2 2 340.471 3.103 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nc(-c2cccc(F)c2)no1 ZINC000565821379 316374324 /nfs/dbraw/zinc/37/43/24/316374324.db2.gz CISBDHWXTYUETA-WBQNTZJQSA-N 2 2 344.434 3.447 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000571417727 317197643 /nfs/dbraw/zinc/19/76/43/317197643.db2.gz OMEUQNQJPPLAHR-UHFFFAOYSA-N 2 2 328.378 3.331 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000571417727 317197645 /nfs/dbraw/zinc/19/76/45/317197645.db2.gz OMEUQNQJPPLAHR-UHFFFAOYSA-N 2 2 328.378 3.331 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000572438956 317339162 /nfs/dbraw/zinc/33/91/62/317339162.db2.gz DUVFQJUTZBCFPH-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000572438956 317339165 /nfs/dbraw/zinc/33/91/65/317339165.db2.gz DUVFQJUTZBCFPH-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cn2ccccc2n1 ZINC000572616902 317365835 /nfs/dbraw/zinc/36/58/35/317365835.db2.gz JGPXTORCPDTLOY-MRXNPFEDSA-N 2 2 335.455 3.045 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c(F)c3)C[C@H]21 ZINC000228474203 456122897 /nfs/dbraw/zinc/12/28/97/456122897.db2.gz NGAABMPDSIIZBZ-YWPYICTPSA-N 2 2 327.241 3.147 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c(F)c3)C[C@H]21 ZINC000228474203 456122905 /nfs/dbraw/zinc/12/29/05/456122905.db2.gz NGAABMPDSIIZBZ-YWPYICTPSA-N 2 2 327.241 3.147 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387960 323232833 /nfs/dbraw/zinc/23/28/33/323232833.db2.gz MLWGFKPPSDMKNU-UHFFFAOYSA-N 2 2 349.906 3.395 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174409623 323305999 /nfs/dbraw/zinc/30/59/99/323305999.db2.gz RFCJSBYXMKRQMM-IRXDYDNUSA-N 2 2 338.879 3.082 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174409623 323306003 /nfs/dbraw/zinc/30/60/03/323306003.db2.gz RFCJSBYXMKRQMM-IRXDYDNUSA-N 2 2 338.879 3.082 10 0 EGAELP CN(CCC[NH+](C)C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000185367514 323699951 /nfs/dbraw/zinc/69/99/51/323699951.db2.gz MVSIZZOLXCZXIU-UHFFFAOYSA-N 2 2 328.416 3.289 10 0 EGAELP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381630824 324246994 /nfs/dbraw/zinc/24/69/94/324246994.db2.gz VMFNURUMODFNEY-JKSUJKDBSA-N 2 2 339.524 3.096 10 0 EGAELP C[NH+](C)Cc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1Cl ZINC000577809647 324868122 /nfs/dbraw/zinc/86/81/22/324868122.db2.gz DPWBFSPKVIMLRX-UHFFFAOYSA-N 2 2 346.862 3.116 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000579809209 325162213 /nfs/dbraw/zinc/16/22/13/325162213.db2.gz DVUQPUUXVRRJLE-JMSVASOKSA-N 2 2 343.393 3.010 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000581880086 325395825 /nfs/dbraw/zinc/39/58/25/325395825.db2.gz QNUMFTXGZWFWRU-IBGZPJMESA-N 2 2 328.431 3.037 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000581880086 325395826 /nfs/dbraw/zinc/39/58/26/325395826.db2.gz QNUMFTXGZWFWRU-IBGZPJMESA-N 2 2 328.431 3.037 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000396730458 457481798 /nfs/dbraw/zinc/48/17/98/457481798.db2.gz WLVVUABBLCALRU-MISXGVKJSA-N 2 2 327.266 3.249 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1Br ZINC000401733256 457529064 /nfs/dbraw/zinc/52/90/64/457529064.db2.gz WDKMOOLLAZQUKF-MDZLAQPJSA-N 2 2 327.266 3.106 10 0 EGAELP COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183146417 455239462 /nfs/dbraw/zinc/23/94/62/455239462.db2.gz ZVDSKKWEQGARDM-ZDUSSCGKSA-N 2 2 339.395 3.411 10 0 EGAELP CC(C)(C)c1csc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170210 455243254 /nfs/dbraw/zinc/24/32/54/455243254.db2.gz HKEIHWSDOHXJCZ-CQSZACIVSA-N 2 2 334.489 3.101 10 0 EGAELP CC(C)(C)c1csc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170210 455243258 /nfs/dbraw/zinc/24/32/58/455243258.db2.gz HKEIHWSDOHXJCZ-CQSZACIVSA-N 2 2 334.489 3.101 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(I)cc1 ZINC000600707627 460574678 /nfs/dbraw/zinc/57/46/78/460574678.db2.gz CRASEEMLHBVUGA-UHIISALHSA-N 2 2 344.240 3.082 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600712931 460574692 /nfs/dbraw/zinc/57/46/92/460574692.db2.gz ZPLNORRGAOZVTH-ZFWWWQNUSA-N 2 2 332.444 3.016 10 0 EGAELP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885653 460587727 /nfs/dbraw/zinc/58/77/27/460587727.db2.gz AKNZZUSRHLVSCF-ZBFHGGJFSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885653 460587732 /nfs/dbraw/zinc/58/77/32/460587732.db2.gz AKNZZUSRHLVSCF-ZBFHGGJFSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885650 460588497 /nfs/dbraw/zinc/58/84/97/460588497.db2.gz AKNZZUSRHLVSCF-GDBMZVCRSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885650 460588500 /nfs/dbraw/zinc/58/85/00/460588500.db2.gz AKNZZUSRHLVSCF-GDBMZVCRSA-N 2 2 346.862 3.006 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886555 460590106 /nfs/dbraw/zinc/59/01/06/460590106.db2.gz KBAUPDCOFRGLAN-WMZOPIPTSA-N 2 2 329.488 3.131 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886555 460590111 /nfs/dbraw/zinc/59/01/11/460590111.db2.gz KBAUPDCOFRGLAN-WMZOPIPTSA-N 2 2 329.488 3.131 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)ccc2[nH+]1 ZINC000265742622 455372947 /nfs/dbraw/zinc/37/29/47/455372947.db2.gz WEFJGUHOJXAOFJ-KRWDZBQOSA-N 2 2 337.427 3.067 10 0 EGAELP C[NH+](C)CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2F)c1 ZINC000095435681 454212684 /nfs/dbraw/zinc/21/26/84/454212684.db2.gz KGUGWNPDYLUMLD-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000078969176 454345938 /nfs/dbraw/zinc/34/59/38/454345938.db2.gz OTJLUTMTCPZYFG-UHFFFAOYSA-N 2 2 333.439 3.026 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000122928611 454583435 /nfs/dbraw/zinc/58/34/35/454583435.db2.gz ASACDAYWTZMRHH-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000122928611 454583439 /nfs/dbraw/zinc/58/34/39/454583439.db2.gz ASACDAYWTZMRHH-SFHVURJKSA-N 2 2 343.471 3.308 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134870759 454600543 /nfs/dbraw/zinc/60/05/43/454600543.db2.gz YANPHYROKPOWDW-CXAGYDPISA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134870759 454600545 /nfs/dbraw/zinc/60/05/45/454600545.db2.gz YANPHYROKPOWDW-CXAGYDPISA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134870759 454600550 /nfs/dbraw/zinc/60/05/50/454600550.db2.gz YANPHYROKPOWDW-CXAGYDPISA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134870759 454600553 /nfs/dbraw/zinc/60/05/53/454600553.db2.gz YANPHYROKPOWDW-CXAGYDPISA-N 2 2 329.419 3.416 10 0 EGAELP COCCOc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812876 454637448 /nfs/dbraw/zinc/63/74/48/454637448.db2.gz VUXLKINZLHITDH-SFHVURJKSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812876 454637452 /nfs/dbraw/zinc/63/74/52/454637452.db2.gz VUXLKINZLHITDH-SFHVURJKSA-N 2 2 341.455 3.041 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123936261 454688647 /nfs/dbraw/zinc/68/86/47/454688647.db2.gz XFXDHXDEJKUYPT-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123936261 454688650 /nfs/dbraw/zinc/68/86/50/454688650.db2.gz XFXDHXDEJKUYPT-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936261 454688655 /nfs/dbraw/zinc/68/86/55/454688655.db2.gz XFXDHXDEJKUYPT-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123936261 454688657 /nfs/dbraw/zinc/68/86/57/454688657.db2.gz XFXDHXDEJKUYPT-IUODEOHRSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000124005919 454693288 /nfs/dbraw/zinc/69/32/88/454693288.db2.gz VVTXKSHJGYKWBH-YPMHNXCESA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000124005919 454693293 /nfs/dbraw/zinc/69/32/93/454693293.db2.gz VVTXKSHJGYKWBH-YPMHNXCESA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005919 454693295 /nfs/dbraw/zinc/69/32/95/454693295.db2.gz VVTXKSHJGYKWBH-YPMHNXCESA-N 2 2 344.286 3.346 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005919 454693300 /nfs/dbraw/zinc/69/33/00/454693300.db2.gz VVTXKSHJGYKWBH-YPMHNXCESA-N 2 2 344.286 3.346 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000139870974 454812825 /nfs/dbraw/zinc/81/28/25/454812825.db2.gz YOAVSXSLUOODMR-LJQANCHMSA-N 2 2 347.466 3.118 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000139870974 454812829 /nfs/dbraw/zinc/81/28/29/454812829.db2.gz YOAVSXSLUOODMR-LJQANCHMSA-N 2 2 347.466 3.118 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000163301320 454837623 /nfs/dbraw/zinc/83/76/23/454837623.db2.gz LKAZBLJHEVYCHK-DZGCQCFKSA-N 2 2 325.522 3.336 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000163301320 454837627 /nfs/dbraw/zinc/83/76/27/454837627.db2.gz LKAZBLJHEVYCHK-DZGCQCFKSA-N 2 2 325.522 3.336 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000163375918 454843231 /nfs/dbraw/zinc/84/32/31/454843231.db2.gz JMUZUEBMKTXSPZ-KBPBESRZSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000163375918 454843235 /nfs/dbraw/zinc/84/32/35/454843235.db2.gz JMUZUEBMKTXSPZ-KBPBESRZSA-N 2 2 330.394 3.467 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409499 454845912 /nfs/dbraw/zinc/84/59/12/454845912.db2.gz FHIPRSZMJVMUCH-GDBMZVCRSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccccc1OC(F)F ZINC000163409499 454845918 /nfs/dbraw/zinc/84/59/18/454845918.db2.gz FHIPRSZMJVMUCH-GDBMZVCRSA-N 2 2 342.430 3.440 10 0 EGAELP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000126673610 454910656 /nfs/dbraw/zinc/91/06/56/454910656.db2.gz JTJQZNPNTMDHFV-QGZVFWFLSA-N 2 2 327.407 3.131 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000179656363 455064327 /nfs/dbraw/zinc/06/43/27/455064327.db2.gz BPXATKAACMENMZ-ZWKOTPCHSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn3ccccc23)C1 ZINC000179656363 455064328 /nfs/dbraw/zinc/06/43/28/455064328.db2.gz BPXATKAACMENMZ-ZWKOTPCHSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000179656363 455064331 /nfs/dbraw/zinc/06/43/31/455064331.db2.gz BPXATKAACMENMZ-ZWKOTPCHSA-N 2 2 326.488 3.421 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000179656363 455064334 /nfs/dbraw/zinc/06/43/34/455064334.db2.gz BPXATKAACMENMZ-ZWKOTPCHSA-N 2 2 326.488 3.421 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000171521235 455075935 /nfs/dbraw/zinc/07/59/35/455075935.db2.gz KPLBGTIVEHGDRI-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000171521235 455075940 /nfs/dbraw/zinc/07/59/40/455075940.db2.gz KPLBGTIVEHGDRI-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000171921878 455102611 /nfs/dbraw/zinc/10/26/11/455102611.db2.gz WNFFASKLMGPYNZ-SFHVURJKSA-N 2 2 333.545 3.010 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000171921878 455102612 /nfs/dbraw/zinc/10/26/12/455102612.db2.gz WNFFASKLMGPYNZ-SFHVURJKSA-N 2 2 333.545 3.010 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129507831 455114595 /nfs/dbraw/zinc/11/45/95/455114595.db2.gz LSGIOSWKYKXBHT-CJNGLKHVSA-N 2 2 331.489 3.021 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129507831 455114596 /nfs/dbraw/zinc/11/45/96/455114596.db2.gz LSGIOSWKYKXBHT-CJNGLKHVSA-N 2 2 331.489 3.021 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000180127011 455136489 /nfs/dbraw/zinc/13/64/89/455136489.db2.gz SJKVIKLKMBRHNG-MRXNPFEDSA-N 2 2 339.418 3.385 10 0 EGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCO2 ZINC000237412303 455183227 /nfs/dbraw/zinc/18/32/27/455183227.db2.gz PGCSSVJVRRZAFA-OAHLLOKOSA-N 2 2 339.439 3.172 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1nccs1 ZINC000180645191 455216887 /nfs/dbraw/zinc/21/68/87/455216887.db2.gz BTMYYKSUGXXOBR-STQMWFEESA-N 2 2 341.440 3.007 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180646098 455217585 /nfs/dbraw/zinc/21/75/85/455217585.db2.gz OMNGXUFSJQYOGM-ZDUSSCGKSA-N 2 2 335.367 3.366 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+](C)[C@H](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000181281452 455311799 /nfs/dbraw/zinc/31/17/99/455311799.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+](C)[C@H](C)C3)CC[N@H+]2C2CC2)c1 ZINC000181281452 455311808 /nfs/dbraw/zinc/31/18/08/455311808.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+](C)[C@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281452 455311813 /nfs/dbraw/zinc/31/18/13/455311813.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281452 455311816 /nfs/dbraw/zinc/31/18/16/455311816.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281452 455311823 /nfs/dbraw/zinc/31/18/23/455311823.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281452 455311825 /nfs/dbraw/zinc/31/18/25/455311825.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 2 2 343.515 3.045 10 0 EGAELP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000245481021 455311965 /nfs/dbraw/zinc/31/19/65/455311965.db2.gz XXCWLCQSNADXSU-KGLIPLIRSA-N 2 2 332.473 3.180 10 0 EGAELP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000245481021 455311971 /nfs/dbraw/zinc/31/19/71/455311971.db2.gz XXCWLCQSNADXSU-KGLIPLIRSA-N 2 2 332.473 3.180 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCC2 ZINC000181475759 455339841 /nfs/dbraw/zinc/33/98/41/455339841.db2.gz YWUSVYSWEISGEW-DLBZAZTESA-N 2 2 326.444 3.095 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247120740 455563135 /nfs/dbraw/zinc/56/31/35/455563135.db2.gz MNIJSVWBLIGTNG-YJBOKZPZSA-N 2 2 340.471 3.276 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247120740 455563138 /nfs/dbraw/zinc/56/31/38/455563138.db2.gz MNIJSVWBLIGTNG-YJBOKZPZSA-N 2 2 340.471 3.276 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000247881362 455652917 /nfs/dbraw/zinc/65/29/17/455652917.db2.gz BVDHWVLNGUWNBH-AHRSYUTCSA-N 2 2 337.467 3.405 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000247881362 455652921 /nfs/dbraw/zinc/65/29/21/455652921.db2.gz BVDHWVLNGUWNBH-AHRSYUTCSA-N 2 2 337.467 3.405 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268746461 455712386 /nfs/dbraw/zinc/71/23/86/455712386.db2.gz HUBNJVKMOBLGEZ-DYESRHJHSA-N 3 2 327.516 3.113 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000285906189 455939473 /nfs/dbraw/zinc/93/94/73/455939473.db2.gz CXVWQERVCGOBSD-ICSRJNTNSA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000285906189 455939476 /nfs/dbraw/zinc/93/94/76/455939476.db2.gz CXVWQERVCGOBSD-ICSRJNTNSA-N 2 2 325.456 3.058 10 0 EGAELP CC[N@H+](Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261893653 455967246 /nfs/dbraw/zinc/96/72/46/455967246.db2.gz UNUGBWYOFBQYOF-HNNXBMFYSA-N 2 2 329.257 3.410 10 0 EGAELP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261893653 455967250 /nfs/dbraw/zinc/96/72/50/455967250.db2.gz UNUGBWYOFBQYOF-HNNXBMFYSA-N 2 2 329.257 3.410 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515752 455975555 /nfs/dbraw/zinc/97/55/55/455975555.db2.gz CMJGVVUWTOUAKU-KRWDZBQOSA-N 2 2 339.439 3.097 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515752 455975562 /nfs/dbraw/zinc/97/55/62/455975562.db2.gz CMJGVVUWTOUAKU-KRWDZBQOSA-N 2 2 339.439 3.097 10 0 EGAELP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262703077 456054593 /nfs/dbraw/zinc/05/45/93/456054593.db2.gz KAZULGDWSIMPAU-KBXCAEBGSA-N 2 2 337.895 3.063 10 0 EGAELP CC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647120 456104146 /nfs/dbraw/zinc/10/41/46/456104146.db2.gz ZJAFPZVJSRJPSM-CVEARBPZSA-N 2 2 336.480 3.041 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000229474810 456128268 /nfs/dbraw/zinc/12/82/68/456128268.db2.gz BNGMMZHJTADOKZ-MOPGFXCFSA-N 2 2 340.471 3.048 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000229474810 456128276 /nfs/dbraw/zinc/12/82/76/456128276.db2.gz BNGMMZHJTADOKZ-MOPGFXCFSA-N 2 2 340.471 3.048 10 0 EGAELP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741058 456201988 /nfs/dbraw/zinc/20/19/88/456201988.db2.gz XVTAVBSQTQYWHM-HOTGVXAUSA-N 2 2 345.874 3.314 10 0 EGAELP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741058 456201996 /nfs/dbraw/zinc/20/19/96/456201996.db2.gz XVTAVBSQTQYWHM-HOTGVXAUSA-N 2 2 345.874 3.314 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc2[nH+]1 ZINC000263907916 456261675 /nfs/dbraw/zinc/26/16/75/456261675.db2.gz IJZMSOYVBMHKMR-AWEZNQCLSA-N 2 2 343.456 3.129 10 0 EGAELP Cc1nc(N2CCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)cc[nH+]1 ZINC000302159482 456303536 /nfs/dbraw/zinc/30/35/36/456303536.db2.gz OJUFADUJTGFSMB-UHFFFAOYSA-N 2 2 333.439 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/nfs/dbraw/zinc/42/68/98/456426898.db2.gz JDROQFDXPCMWML-GOSISDBHSA-N 2 2 343.519 3.169 10 0 EGAELP c1nc(N2CCCC2)cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000302882883 456426902 /nfs/dbraw/zinc/42/69/02/456426902.db2.gz JDROQFDXPCMWML-GOSISDBHSA-N 2 2 343.519 3.169 10 0 EGAELP C[N@@H+]1CCC[C@@H](CNc2nc[nH+]c(N)c2Cl)[C@H]1c1cccs1 ZINC000302914013 456436499 /nfs/dbraw/zinc/43/64/99/456436499.db2.gz UXXYIDKNYRLPNQ-GWCFXTLKSA-N 2 2 337.880 3.269 10 0 EGAELP C[N@H+]1CCC[C@@H](CNc2nc[nH+]c(N)c2Cl)[C@H]1c1cccs1 ZINC000302914013 456436500 /nfs/dbraw/zinc/43/65/00/456436500.db2.gz UXXYIDKNYRLPNQ-GWCFXTLKSA-N 2 2 337.880 3.269 10 0 EGAELP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H]1C ZINC000353087412 456481097 /nfs/dbraw/zinc/48/10/97/456481097.db2.gz KRBDPNNVGGHWPA-XNBVODSUSA-N 2 2 349.563 3.120 10 0 EGAELP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H]1C ZINC000353087412 456481100 /nfs/dbraw/zinc/48/11/00/456481100.db2.gz 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ZINC000324373945 456666308 /nfs/dbraw/zinc/66/63/08/456666308.db2.gz LKGVJPSUJPJYRB-MAUKXSAKSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373945 456666314 /nfs/dbraw/zinc/66/63/14/456666314.db2.gz LKGVJPSUJPJYRB-MAUKXSAKSA-N 2 2 329.419 3.445 10 0 EGAELP COCc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624503 456721281 /nfs/dbraw/zinc/72/12/81/456721281.db2.gz CKSQLQUNBFEQFB-SFHVURJKSA-N 2 2 345.512 3.210 10 0 EGAELP COCc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624503 456721285 /nfs/dbraw/zinc/72/12/85/456721285.db2.gz CKSQLQUNBFEQFB-SFHVURJKSA-N 2 2 345.512 3.210 10 0 EGAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)CCC2 ZINC000328763500 456755822 /nfs/dbraw/zinc/75/58/22/456755822.db2.gz FTBZUZNHZOFLRA-ZFWWWQNUSA-N 2 2 332.473 3.167 10 0 EGAELP Cc1nc(N2CC[NH+](CCCc3ccccc3Cl)CC2)cc[nH+]1 ZINC000353573369 456772924 /nfs/dbraw/zinc/77/29/24/456772924.db2.gz VBUQIMDDYJUBNF-UHFFFAOYSA-N 2 2 330.863 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CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292153804 456870261 /nfs/dbraw/zinc/87/02/61/456870261.db2.gz NVBKANLGHLCBGC-OXQOHEQNSA-N 2 2 329.488 3.165 10 0 EGAELP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349311338 456938200 /nfs/dbraw/zinc/93/82/00/456938200.db2.gz CRGSCANLABYICN-UHFFFAOYSA-N 2 2 332.451 3.306 10 0 EGAELP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349311338 456938204 /nfs/dbraw/zinc/93/82/04/456938204.db2.gz CRGSCANLABYICN-UHFFFAOYSA-N 2 2 332.451 3.306 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000345165078 456949920 /nfs/dbraw/zinc/94/99/20/456949920.db2.gz PLKHXQCTBJMNEF-UHIISALHSA-N 2 2 327.266 3.058 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000345165078 456949923 /nfs/dbraw/zinc/94/99/23/456949923.db2.gz PLKHXQCTBJMNEF-UHIISALHSA-N 2 2 327.266 3.058 10 0 EGAELP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000349822094 457066559 /nfs/dbraw/zinc/06/65/59/457066559.db2.gz OJABZEGEGLCVMW-OAHLLOKOSA-N 2 2 346.496 3.440 10 0 EGAELP Cc1[nH+]c2ccccn2c1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349841404 457074180 /nfs/dbraw/zinc/07/41/80/457074180.db2.gz VRTRSNFGKHUNRZ-IBGZPJMESA-N 2 2 334.467 3.349 10 0 EGAELP Cc1[nH+]c2ccccn2c1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349841404 457074185 /nfs/dbraw/zinc/07/41/85/457074185.db2.gz VRTRSNFGKHUNRZ-IBGZPJMESA-N 2 2 334.467 3.349 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)o2)cc1 ZINC000339440504 457120838 /nfs/dbraw/zinc/12/08/38/457120838.db2.gz KWDFAVCKPWPZIC-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)o2)cc1 ZINC000339440504 457120842 /nfs/dbraw/zinc/12/08/42/457120842.db2.gz KWDFAVCKPWPZIC-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)o2)cc1 ZINC000339440504 457120849 /nfs/dbraw/zinc/12/08/49/457120849.db2.gz KWDFAVCKPWPZIC-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)o2)cc1 ZINC000339440504 457120856 /nfs/dbraw/zinc/12/08/56/457120856.db2.gz KWDFAVCKPWPZIC-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cn(C(C)C)nn2)c(C)c1 ZINC000342191847 457160659 /nfs/dbraw/zinc/16/06/59/457160659.db2.gz RMCVUDQUKYHPQM-LJQANCHMSA-N 2 2 338.459 3.203 10 0 EGAELP CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[nH]1 ZINC000362996943 457190115 /nfs/dbraw/zinc/19/01/15/457190115.db2.gz NEDJGDDVJTYGBD-NEPJUHHUSA-N 2 2 330.461 3.416 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360020341 457207615 /nfs/dbraw/zinc/20/76/15/457207615.db2.gz LJMXNQUAWRUOSV-JKSUJKDBSA-N 2 2 340.471 3.163 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000360020341 457207621 /nfs/dbraw/zinc/20/76/21/457207621.db2.gz LJMXNQUAWRUOSV-JKSUJKDBSA-N 2 2 340.471 3.163 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000357282000 457419711 /nfs/dbraw/zinc/41/97/11/457419711.db2.gz IHEDXSPKTKBRLR-KRWDZBQOSA-N 2 2 348.878 3.112 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000360976984 457483979 /nfs/dbraw/zinc/48/39/79/457483979.db2.gz ZRLXBDIJRIAHDM-SFHLNBCPSA-N 2 2 343.515 3.231 10 0 EGAELP COc1ccc(C[N@@H+]2CCCN(Cc3c[nH+]cn3C(C)C)CC2)cc1 ZINC000425330184 457501932 /nfs/dbraw/zinc/50/19/32/457501932.db2.gz XLCCGQDYVUQGDN-UHFFFAOYSA-N 2 2 342.487 3.181 10 0 EGAELP COc1ccc(C[N@H+]2CCCN(Cc3c[nH+]cn3C(C)C)CC2)cc1 ZINC000425330184 457501939 /nfs/dbraw/zinc/50/19/39/457501939.db2.gz XLCCGQDYVUQGDN-UHFFFAOYSA-N 2 2 342.487 3.181 10 0 EGAELP CCOc1ccc(C2=CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)cc1 ZINC000425360803 457517929 /nfs/dbraw/zinc/51/79/29/457517929.db2.gz SZDJSYUPKXQOAT-UHFFFAOYSA-N 2 2 340.471 3.174 10 0 EGAELP CCOc1ccc(C2=CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)cc1 ZINC000425360803 457517943 /nfs/dbraw/zinc/51/79/43/457517943.db2.gz SZDJSYUPKXQOAT-UHFFFAOYSA-N 2 2 340.471 3.174 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000374198038 457519359 /nfs/dbraw/zinc/51/93/59/457519359.db2.gz GEJHDRYXYJGQAN-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc(Cl)c1 ZINC000374200407 457519993 /nfs/dbraw/zinc/51/99/93/457519993.db2.gz PGDVTBDMYAYIGZ-QGZVFWFLSA-N 2 2 344.846 3.048 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1Br ZINC000401733255 457529682 /nfs/dbraw/zinc/52/96/82/457529682.db2.gz WDKMOOLLAZQUKF-GVXVVHGQSA-N 2 2 327.266 3.106 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)c[nH+]1 ZINC000361045451 457539870 /nfs/dbraw/zinc/53/98/70/457539870.db2.gz LNEDIOSLHJMECN-UHFFFAOYSA-N 2 2 341.415 3.219 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](CCCCOc3ccccc3)CC2)c1 ZINC000357578052 457603752 /nfs/dbraw/zinc/60/37/52/457603752.db2.gz FMTDNGMFKZXDEV-UHFFFAOYSA-N 2 2 341.455 3.071 10 0 EGAELP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305948 457615275 /nfs/dbraw/zinc/61/52/75/457615275.db2.gz QOXUGVHAESFUKL-KRWDZBQOSA-N 2 2 346.519 3.047 10 0 EGAELP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305948 457615278 /nfs/dbraw/zinc/61/52/78/457615278.db2.gz QOXUGVHAESFUKL-KRWDZBQOSA-N 2 2 346.519 3.047 10 0 EGAELP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364548549 457638357 /nfs/dbraw/zinc/63/83/57/457638357.db2.gz ZTVPEZZWOKVAIN-INIZCTEOSA-N 2 2 348.535 3.218 10 0 EGAELP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364548549 457638361 /nfs/dbraw/zinc/63/83/61/457638361.db2.gz ZTVPEZZWOKVAIN-INIZCTEOSA-N 2 2 348.535 3.218 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000361319569 457691366 /nfs/dbraw/zinc/69/13/66/457691366.db2.gz WHKBONYFYGFGQO-YPCHGGDPSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000361319569 457691370 /nfs/dbraw/zinc/69/13/70/457691370.db2.gz WHKBONYFYGFGQO-YPCHGGDPSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000361380413 457711818 /nfs/dbraw/zinc/71/18/18/457711818.db2.gz XVFZKTNETVXQEA-FYSMJZIKSA-N 2 2 347.528 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000361380413 457711821 /nfs/dbraw/zinc/71/18/21/457711821.db2.gz XVFZKTNETVXQEA-FYSMJZIKSA-N 2 2 347.528 3.215 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001948 457736175 /nfs/dbraw/zinc/73/61/75/457736175.db2.gz FWPRCHMWVIWOKX-CKFHNAJUSA-N 2 2 327.472 3.168 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001948 457736179 /nfs/dbraw/zinc/73/61/79/457736179.db2.gz FWPRCHMWVIWOKX-CKFHNAJUSA-N 2 2 327.472 3.168 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCN1CC(F)F ZINC000361866055 457916512 /nfs/dbraw/zinc/91/65/12/457916512.db2.gz SHHXQZMENNKGCL-QGZVFWFLSA-N 2 2 348.441 3.342 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCN1CC(F)F ZINC000361866055 457916516 /nfs/dbraw/zinc/91/65/16/457916516.db2.gz SHHXQZMENNKGCL-QGZVFWFLSA-N 2 2 348.441 3.342 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000361947713 457972227 /nfs/dbraw/zinc/97/22/27/457972227.db2.gz YHYJPPSTALXWQE-NSHDSACASA-N 2 2 326.263 3.234 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000361947713 457972236 /nfs/dbraw/zinc/97/22/36/457972236.db2.gz YHYJPPSTALXWQE-NSHDSACASA-N 2 2 326.263 3.234 10 0 EGAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2cccs2)no1 ZINC000434994495 458076647 /nfs/dbraw/zinc/07/66/47/458076647.db2.gz JTVTXNSDSFFDIK-CABCVRRESA-N 2 2 346.500 3.289 10 0 EGAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2cccs2)no1 ZINC000434994495 458076652 /nfs/dbraw/zinc/07/66/52/458076652.db2.gz JTVTXNSDSFFDIK-CABCVRRESA-N 2 2 346.500 3.289 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1nc(-c2cccs2)no1 ZINC000434994495 458076659 /nfs/dbraw/zinc/07/66/59/458076659.db2.gz JTVTXNSDSFFDIK-CABCVRRESA-N 2 2 346.500 3.289 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1nc(-c2cccs2)no1 ZINC000434994495 458076665 /nfs/dbraw/zinc/07/66/65/458076665.db2.gz JTVTXNSDSFFDIK-CABCVRRESA-N 2 2 346.500 3.289 10 0 EGAELP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445821508 458095887 /nfs/dbraw/zinc/09/58/87/458095887.db2.gz YXPRIGJNAGPPKS-IBGZPJMESA-N 2 2 326.488 3.238 10 0 EGAELP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445821508 458095892 /nfs/dbraw/zinc/09/58/92/458095892.db2.gz YXPRIGJNAGPPKS-IBGZPJMESA-N 2 2 326.488 3.238 10 0 EGAELP Cc1nccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152349 458102756 /nfs/dbraw/zinc/10/27/56/458102756.db2.gz AOZSEFAXQXBLDM-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000369152349 458102761 /nfs/dbraw/zinc/10/27/61/458102761.db2.gz AOZSEFAXQXBLDM-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152349 458102768 /nfs/dbraw/zinc/10/27/68/458102768.db2.gz AOZSEFAXQXBLDM-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1nccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000369152349 458102774 /nfs/dbraw/zinc/10/27/74/458102774.db2.gz AOZSEFAXQXBLDM-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)on1 ZINC000376053873 458178677 /nfs/dbraw/zinc/17/86/77/458178677.db2.gz FUPPYAGBEQGQHU-UHFFFAOYSA-N 2 2 333.863 3.433 10 0 EGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372169894 458218428 /nfs/dbraw/zinc/21/84/28/458218428.db2.gz QADZFBQXNAQXFR-MRXNPFEDSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169894 458218430 /nfs/dbraw/zinc/21/84/30/458218430.db2.gz QADZFBQXNAQXFR-MRXNPFEDSA-N 2 2 340.471 3.026 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023610 458258354 /nfs/dbraw/zinc/25/83/54/458258354.db2.gz UYJRJQMAWFQKHE-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023610 458258360 /nfs/dbraw/zinc/25/83/60/458258360.db2.gz UYJRJQMAWFQKHE-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023610 458258365 /nfs/dbraw/zinc/25/83/65/458258365.db2.gz UYJRJQMAWFQKHE-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023610 458258370 /nfs/dbraw/zinc/25/83/70/458258370.db2.gz UYJRJQMAWFQKHE-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCc1c[nH+]cn1C ZINC000459367295 458347161 /nfs/dbraw/zinc/34/71/61/458347161.db2.gz DLXNGRBSCJQOIL-LBPRGKRZSA-N 2 2 334.261 3.172 10 0 EGAELP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCc1c[nH+]cn1C ZINC000459367295 458347157 /nfs/dbraw/zinc/34/71/57/458347157.db2.gz DLXNGRBSCJQOIL-LBPRGKRZSA-N 2 2 334.261 3.172 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814369 458373978 /nfs/dbraw/zinc/37/39/78/458373978.db2.gz ZORHJIUYXZZIPO-NIAPBTPMSA-N 2 2 349.563 3.218 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814369 458373981 /nfs/dbraw/zinc/37/39/81/458373981.db2.gz ZORHJIUYXZZIPO-NIAPBTPMSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814369 458373983 /nfs/dbraw/zinc/37/39/83/458373983.db2.gz ZORHJIUYXZZIPO-NIAPBTPMSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814369 458373986 /nfs/dbraw/zinc/37/39/86/458373986.db2.gz ZORHJIUYXZZIPO-NIAPBTPMSA-N 2 2 349.563 3.218 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026016 458379883 /nfs/dbraw/zinc/37/98/83/458379883.db2.gz QUHKOOIJGAZTKE-CSEOROSGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026016 458379886 /nfs/dbraw/zinc/37/98/86/458379886.db2.gz QUHKOOIJGAZTKE-CSEOROSGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026016 458379890 /nfs/dbraw/zinc/37/98/90/458379890.db2.gz QUHKOOIJGAZTKE-CSEOROSGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026016 458379893 /nfs/dbraw/zinc/37/98/93/458379893.db2.gz QUHKOOIJGAZTKE-CSEOROSGSA-N 3 2 339.527 3.398 10 0 EGAELP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C(F)(F)F)O1 ZINC000430221696 458424668 /nfs/dbraw/zinc/42/46/68/458424668.db2.gz RZAKPPVJQLGJLU-CYBMUJFWSA-N 2 2 345.390 3.476 10 0 EGAELP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C(F)(F)F)O1 ZINC000430221696 458424671 /nfs/dbraw/zinc/42/46/71/458424671.db2.gz RZAKPPVJQLGJLU-CYBMUJFWSA-N 2 2 345.390 3.476 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459657499 458437530 /nfs/dbraw/zinc/43/75/30/458437530.db2.gz IAYHDDXDHSIHAE-HNNXBMFYSA-N 2 2 328.460 3.093 10 0 EGAELP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423521192 458450492 /nfs/dbraw/zinc/45/04/92/458450492.db2.gz FZOPHZQTXWEQAR-RBUKOAKNSA-N 3 2 329.532 3.394 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000424159202 458574241 /nfs/dbraw/zinc/57/42/41/458574241.db2.gz VAWHZCPYWLTYRW-UHFFFAOYSA-N 2 2 325.416 3.352 10 0 EGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431801671 458626894 /nfs/dbraw/zinc/62/68/94/458626894.db2.gz SMRWLPLFNDXDCW-FUHWJXTLSA-N 2 2 349.544 3.218 10 0 EGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431801671 458626897 /nfs/dbraw/zinc/62/68/97/458626897.db2.gz SMRWLPLFNDXDCW-FUHWJXTLSA-N 2 2 349.544 3.218 10 0 EGAELP FC1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000518258420 458852581 /nfs/dbraw/zinc/85/25/81/458852581.db2.gz GQDDWPVXEVYECQ-UHFFFAOYSA-N 2 2 342.212 3.243 10 0 EGAELP FC1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000518258420 458852587 /nfs/dbraw/zinc/85/25/87/458852587.db2.gz GQDDWPVXEVYECQ-UHFFFAOYSA-N 2 2 342.212 3.243 10 0 EGAELP CN(c1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417066 458940524 /nfs/dbraw/zinc/94/05/24/458940524.db2.gz QWLXJTQRUNRNFC-KBXCAEBGSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417066 458940530 /nfs/dbraw/zinc/94/05/30/458940530.db2.gz QWLXJTQRUNRNFC-KBXCAEBGSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417066 458940534 /nfs/dbraw/zinc/94/05/34/458940534.db2.gz QWLXJTQRUNRNFC-KBXCAEBGSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417066 458940540 /nfs/dbraw/zinc/94/05/40/458940540.db2.gz QWLXJTQRUNRNFC-KBXCAEBGSA-N 2 2 346.544 3.190 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958755 /nfs/dbraw/zinc/95/87/55/458958755.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958760 /nfs/dbraw/zinc/95/87/60/458958760.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958761 /nfs/dbraw/zinc/95/87/61/458958761.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958767 /nfs/dbraw/zinc/95/87/67/458958767.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 3 2 329.532 3.204 10 0 EGAELP COc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000531967771 459009023 /nfs/dbraw/zinc/00/90/23/459009023.db2.gz KZKJDAUADWOOBP-FUHWJXTLSA-N 2 2 346.515 3.445 10 0 EGAELP COc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000531967771 459009029 /nfs/dbraw/zinc/00/90/29/459009029.db2.gz KZKJDAUADWOOBP-FUHWJXTLSA-N 2 2 346.515 3.445 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000595010485 459215693 /nfs/dbraw/zinc/21/56/93/459215693.db2.gz WVBPAYHRRQADEN-DLBZAZTESA-N 2 2 346.515 3.391 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000595010485 459215696 /nfs/dbraw/zinc/21/56/96/459215696.db2.gz WVBPAYHRRQADEN-DLBZAZTESA-N 2 2 346.515 3.391 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569254741 459422280 /nfs/dbraw/zinc/42/22/80/459422280.db2.gz FOGVGPORHGZJPQ-TZMCWYRMSA-N 2 2 342.424 3.407 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569254741 459422283 /nfs/dbraw/zinc/42/22/83/459422283.db2.gz FOGVGPORHGZJPQ-TZMCWYRMSA-N 2 2 342.424 3.407 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)nc1C ZINC000569690369 459494662 /nfs/dbraw/zinc/49/46/62/459494662.db2.gz RUWHZZNBUIJHNL-CYBMUJFWSA-N 2 2 333.457 3.225 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000525833211 459500803 /nfs/dbraw/zinc/50/08/03/459500803.db2.gz KTQQUTJKDVUNCV-UHFFFAOYSA-N 2 2 347.466 3.403 10 0 EGAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)CC1C[NH+](C)C1 ZINC000596454719 459641743 /nfs/dbraw/zinc/64/17/43/459641743.db2.gz TYBWNPNJTSNBMX-UHFFFAOYSA-N 2 2 341.455 3.026 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944482 459778490 /nfs/dbraw/zinc/77/84/90/459778490.db2.gz DIOIILDYSCWVFV-RHSMWYFYSA-N 2 2 343.471 3.075 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000527944482 459778493 /nfs/dbraw/zinc/77/84/93/459778493.db2.gz DIOIILDYSCWVFV-RHSMWYFYSA-N 2 2 343.471 3.075 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527979557 459786992 /nfs/dbraw/zinc/78/69/92/459786992.db2.gz KEZFHCJUALHOBS-ONGXEEELSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000527979557 459786997 /nfs/dbraw/zinc/78/69/97/459786997.db2.gz KEZFHCJUALHOBS-ONGXEEELSA-N 2 2 333.220 3.300 10 0 EGAELP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000527989398 459789603 /nfs/dbraw/zinc/78/96/03/459789603.db2.gz ZTJVVVBVSYUHQH-UHFFFAOYSA-N 2 2 345.231 3.444 10 0 EGAELP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011403 459796313 /nfs/dbraw/zinc/79/63/13/459796313.db2.gz LCGNTHWYAWQHKP-FPOVZHCZSA-N 2 2 341.499 3.086 10 0 EGAELP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011403 459796314 /nfs/dbraw/zinc/79/63/14/459796314.db2.gz LCGNTHWYAWQHKP-FPOVZHCZSA-N 2 2 341.499 3.086 10 0 EGAELP Cc1[nH+]c2cc(CNC(=O)c3ccc(C[NH3+])cc3)ccc2n1C1CC1 ZINC000575057910 459918853 /nfs/dbraw/zinc/91/88/53/459918853.db2.gz VISSIHRZISSXNB-UHFFFAOYSA-N 2 2 334.423 3.068 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000575328994 459960514 /nfs/dbraw/zinc/96/05/14/459960514.db2.gz CAISAHMVUNFZJF-UHFFFAOYSA-N 2 2 334.261 3.180 10 0 EGAELP CCC[NH+]1CCC([N@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621712670 460017327 /nfs/dbraw/zinc/01/73/27/460017327.db2.gz KYMZEZOEMFFYQU-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP CCC[NH+]1CCC([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621712670 460017336 /nfs/dbraw/zinc/01/73/36/460017336.db2.gz KYMZEZOEMFFYQU-UHFFFAOYSA-N 2 2 340.515 3.432 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717505 460021261 /nfs/dbraw/zinc/02/12/61/460021261.db2.gz GNWFIYCNSNMUKQ-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717505 460021267 /nfs/dbraw/zinc/02/12/67/460021267.db2.gz GNWFIYCNSNMUKQ-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717505 460021274 /nfs/dbraw/zinc/02/12/74/460021274.db2.gz GNWFIYCNSNMUKQ-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)[C@@H](C)C1 ZINC000621717505 460021282 /nfs/dbraw/zinc/02/12/82/460021282.db2.gz GNWFIYCNSNMUKQ-RXVVDRJESA-N 2 2 340.515 3.288 10 0 EGAELP CCOc1cncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000621725871 460030377 /nfs/dbraw/zinc/03/03/77/460030377.db2.gz BVPGOBWHSIQLFE-QGZVFWFLSA-N 2 2 340.471 3.393 10 0 EGAELP CCOc1cncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000621725871 460030385 /nfs/dbraw/zinc/03/03/85/460030385.db2.gz BVPGOBWHSIQLFE-QGZVFWFLSA-N 2 2 340.471 3.393 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784469 460263303 /nfs/dbraw/zinc/26/33/03/460263303.db2.gz AARQFADXTFWJFI-FPOVZHCZSA-N 2 2 339.483 3.005 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784469 460263306 /nfs/dbraw/zinc/26/33/06/460263306.db2.gz AARQFADXTFWJFI-FPOVZHCZSA-N 2 2 339.483 3.005 10 0 EGAELP COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000599697998 460314608 /nfs/dbraw/zinc/31/46/08/460314608.db2.gz TYTDIPZQZMCARN-HZPDHXFCSA-N 2 2 341.455 3.343 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000611409883 460358284 /nfs/dbraw/zinc/35/82/84/460358284.db2.gz DMXCMZXGHJSVBE-MRXNPFEDSA-N 2 2 348.487 3.154 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629527168 460796041 /nfs/dbraw/zinc/79/60/41/460796041.db2.gz MICYMYCLORHBOM-QGLKVJOYSA-N 3 2 327.516 3.017 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629527168 460796050 /nfs/dbraw/zinc/79/60/50/460796050.db2.gz MICYMYCLORHBOM-QGLKVJOYSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[NH2+]1 ZINC000629535088 460798793 /nfs/dbraw/zinc/79/87/93/460798793.db2.gz BNZVAHJUTNMLBM-OBJCFNGXSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[NH2+]1 ZINC000629535088 460798797 /nfs/dbraw/zinc/79/87/97/460798797.db2.gz BNZVAHJUTNMLBM-OBJCFNGXSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C[NH2+]1 ZINC000629541819 460801304 /nfs/dbraw/zinc/80/13/04/460801304.db2.gz WRZSNJRHRGLNIU-XUJVJEKNSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539733 460801634 /nfs/dbraw/zinc/80/16/34/460801634.db2.gz UALSLKDPPJCNDH-LALPHHSUSA-N 2 2 343.393 3.153 10 0 EGAELP CCc1ccc(-c2nc(C[N@H+](C)CCOCC[NH2+]C)cs2)cc1 ZINC000629571796 460812859 /nfs/dbraw/zinc/81/28/59/460812859.db2.gz QSZSXBXATJLACD-UHFFFAOYSA-N 2 2 333.501 3.040 10 0 EGAELP CCc1ccc(-c2nc(C[N@@H+](C)CCOCC[NH2+]C)cs2)cc1 ZINC000629571796 460812863 /nfs/dbraw/zinc/81/28/63/460812863.db2.gz QSZSXBXATJLACD-UHFFFAOYSA-N 2 2 333.501 3.040 10 0 EGAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000629571700 460813620 /nfs/dbraw/zinc/81/36/20/460813620.db2.gz PDHPTUSCIMTJEO-UHFFFAOYSA-N 2 2 339.892 3.131 10 0 EGAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000629571700 460813626 /nfs/dbraw/zinc/81/36/26/460813626.db2.gz PDHPTUSCIMTJEO-UHFFFAOYSA-N 2 2 339.892 3.131 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604284 460826352 /nfs/dbraw/zinc/82/63/52/460826352.db2.gz JBVTURJMZVVZNC-QGZVFWFLSA-N 2 2 347.478 3.459 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000629604284 460826359 /nfs/dbraw/zinc/82/63/59/460826359.db2.gz JBVTURJMZVVZNC-QGZVFWFLSA-N 2 2 347.478 3.459 10 0 EGAELP C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624051450 460836425 /nfs/dbraw/zinc/83/64/25/460836425.db2.gz CXBPRDZFDSNKNB-LBPRGKRZSA-N 2 2 349.360 3.475 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656454 460851028 /nfs/dbraw/zinc/85/10/28/460851028.db2.gz OVPOFCKRTIJHIQ-DGCLKSJQSA-N 2 2 335.439 3.301 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656454 460851030 /nfs/dbraw/zinc/85/10/30/460851030.db2.gz OVPOFCKRTIJHIQ-DGCLKSJQSA-N 2 2 335.439 3.301 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C(F)(F)F ZINC000629657486 460852592 /nfs/dbraw/zinc/85/25/92/460852592.db2.gz YKCOCNLJCYPQQY-HZPDHXFCSA-N 2 2 342.405 3.435 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C(F)(F)F ZINC000629657486 460852596 /nfs/dbraw/zinc/85/25/96/460852596.db2.gz YKCOCNLJCYPQQY-HZPDHXFCSA-N 2 2 342.405 3.435 10 0 EGAELP Cc1ccc[nH+]c1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624254622 460933383 /nfs/dbraw/zinc/93/33/83/460933383.db2.gz ULLMGJLRCXEMNJ-UHFFFAOYSA-N 2 2 345.450 3.167 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n1)C2 ZINC000624375617 460982202 /nfs/dbraw/zinc/98/22/02/460982202.db2.gz UTOPVBGIZQKLJM-RTBURBONSA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)n1)C2 ZINC000624375617 460982205 /nfs/dbraw/zinc/98/22/05/460982205.db2.gz UTOPVBGIZQKLJM-RTBURBONSA-N 2 2 349.482 3.426 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185704 461038266 /nfs/dbraw/zinc/03/82/66/461038266.db2.gz ILKQWZBFEBDRBY-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185704 461038272 /nfs/dbraw/zinc/03/82/72/461038272.db2.gz ILKQWZBFEBDRBY-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185704 461038277 /nfs/dbraw/zinc/03/82/77/461038277.db2.gz ILKQWZBFEBDRBY-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185704 461038283 /nfs/dbraw/zinc/03/82/83/461038283.db2.gz ILKQWZBFEBDRBY-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP c1nc(C2CC2)oc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262703 461065332 /nfs/dbraw/zinc/06/53/32/461065332.db2.gz VYJIPPYLBURKMS-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP c1nc(C2CC2)oc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262703 461065333 /nfs/dbraw/zinc/06/53/33/461065333.db2.gz VYJIPPYLBURKMS-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP COCC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000662339164 461198462 /nfs/dbraw/zinc/19/84/62/461198462.db2.gz AQFAWQDDACNMAW-FQEVSTJZSA-N 2 2 346.515 3.216 10 0 EGAELP COCC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000662339164 461198471 /nfs/dbraw/zinc/19/84/71/461198471.db2.gz AQFAWQDDACNMAW-FQEVSTJZSA-N 2 2 346.515 3.216 10 0 EGAELP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)c(-c2ccccc2)cc1OC ZINC000668537696 461317859 /nfs/dbraw/zinc/31/78/59/461317859.db2.gz LMADGPBJEQAMJA-UHFFFAOYSA-N 2 2 340.467 3.364 10 0 EGAELP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)c(-c2ccccc2)cc1OC ZINC000668537696 461317868 /nfs/dbraw/zinc/31/78/68/461317868.db2.gz LMADGPBJEQAMJA-UHFFFAOYSA-N 2 2 340.467 3.364 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn2c1CCCC2 ZINC000655721338 461391977 /nfs/dbraw/zinc/39/19/77/461391977.db2.gz NNMRPKBLYGNHGU-IBGZPJMESA-N 2 2 338.499 3.221 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn2c1CCCC2 ZINC000655721338 461391987 /nfs/dbraw/zinc/39/19/87/461391987.db2.gz NNMRPKBLYGNHGU-IBGZPJMESA-N 2 2 338.499 3.221 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000655743310 461410258 /nfs/dbraw/zinc/41/02/58/461410258.db2.gz FWXTYHVTAJBYQW-IEBWSBKVSA-N 2 2 338.499 3.362 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000655743310 461410265 /nfs/dbraw/zinc/41/02/65/461410265.db2.gz FWXTYHVTAJBYQW-IEBWSBKVSA-N 2 2 338.499 3.362 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCn4ccnc43)C2)CC1 ZINC000655764454 461431227 /nfs/dbraw/zinc/43/12/27/461431227.db2.gz IHBBLDQIYBSIBH-YMAMQOFZSA-N 2 2 342.409 3.113 10 0 EGAELP FC1(F)C[C@@]12CC[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908655 461445739 /nfs/dbraw/zinc/44/57/39/461445739.db2.gz UDGDCUGBIIGCEQ-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908655 461445746 /nfs/dbraw/zinc/44/57/46/461445746.db2.gz UDGDCUGBIIGCEQ-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908655 461445756 /nfs/dbraw/zinc/44/57/56/461445756.db2.gz UDGDCUGBIIGCEQ-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@]12CC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908655 461445762 /nfs/dbraw/zinc/44/57/62/461445762.db2.gz UDGDCUGBIIGCEQ-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@H](n4cc[nH+]c4)C3)c21 ZINC000642116077 461450622 /nfs/dbraw/zinc/45/06/22/461450622.db2.gz CLOULTAIFXDPPP-ZDUSSCGKSA-N 2 2 336.374 3.288 10 0 EGAELP CSc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000659911272 461494261 /nfs/dbraw/zinc/49/42/61/461494261.db2.gz WQXSWZAXTOITCK-SFHVURJKSA-N 2 2 333.545 3.010 10 0 EGAELP CSc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000659911272 461494269 /nfs/dbraw/zinc/49/42/69/461494269.db2.gz WQXSWZAXTOITCK-SFHVURJKSA-N 2 2 333.545 3.010 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000647171616 461540076 /nfs/dbraw/zinc/54/00/76/461540076.db2.gz PVBXZKTUVYAZLL-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000647171616 461540084 /nfs/dbraw/zinc/54/00/84/461540084.db2.gz PVBXZKTUVYAZLL-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP C[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209647 461565215 /nfs/dbraw/zinc/56/52/15/461565215.db2.gz SYXABCOZPKSPSO-AGOPTVSRSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209647 461565221 /nfs/dbraw/zinc/56/52/21/461565221.db2.gz SYXABCOZPKSPSO-AGOPTVSRSA-N 2 2 336.479 3.422 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000660064020 461565409 /nfs/dbraw/zinc/56/54/09/461565409.db2.gz BVNQFQJUKQWBKF-UHFFFAOYSA-N 2 2 326.387 3.013 10 0 EGAELP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000663499317 461673568 /nfs/dbraw/zinc/67/35/68/461673568.db2.gz IVWNMNZNAMFMHQ-CYBMUJFWSA-N 2 2 342.274 3.037 10 0 EGAELP Cn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000643427472 461724668 /nfs/dbraw/zinc/72/46/68/461724668.db2.gz IYDLJVQQZFYUCH-UHFFFAOYSA-N 2 2 336.439 3.161 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502921 461748573 /nfs/dbraw/zinc/74/85/73/461748573.db2.gz VGUGIWRNXYNYAD-HZMBPMFUSA-N 2 2 327.241 3.307 10 0 EGAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553450 461764065 /nfs/dbraw/zinc/76/40/65/461764065.db2.gz ACNKGDSXCCVTOU-OALUTQOASA-N 2 2 330.472 3.009 10 0 EGAELP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554451 461764222 /nfs/dbraw/zinc/76/42/22/461764222.db2.gz ZPXIVIUNRGZVLT-HNNXBMFYSA-N 2 2 328.378 3.392 10 0 EGAELP c1cc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)ccn1 ZINC000647554389 461764591 /nfs/dbraw/zinc/76/45/91/461764591.db2.gz YNNNPCWOESAIJR-HXUWFJFHSA-N 2 2 337.467 3.425 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000666770518 461795363 /nfs/dbraw/zinc/79/53/63/461795363.db2.gz GFJCQIAOSQUPIH-KRWDZBQOSA-N 2 2 339.487 3.292 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000656702689 461848631 /nfs/dbraw/zinc/84/86/31/461848631.db2.gz RKZXTPRUULLZQJ-CABCVRRESA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000656702689 461848637 /nfs/dbraw/zinc/84/86/37/461848637.db2.gz RKZXTPRUULLZQJ-CABCVRRESA-N 2 2 344.421 3.071 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899729 461874619 /nfs/dbraw/zinc/87/46/19/461874619.db2.gz UFIIZVAXPDKWON-CPUCHLNUSA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899729 461874627 /nfs/dbraw/zinc/87/46/27/461874627.db2.gz UFIIZVAXPDKWON-CPUCHLNUSA-N 2 2 335.879 3.131 10 0 EGAELP Clc1ccc2[nH+]cc(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656791886 461900907 /nfs/dbraw/zinc/90/09/07/461900907.db2.gz HRVLYUKKHXBZCB-KRWDZBQOSA-N 2 2 342.830 3.261 10 0 EGAELP Cc1nsc(C)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966371 461912217 /nfs/dbraw/zinc/91/22/17/461912217.db2.gz PTBGVYPIIZCCCH-UHFFFAOYSA-N 2 2 344.528 3.294 10 0 EGAELP Cc1nsc(C)c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966371 461912221 /nfs/dbraw/zinc/91/22/21/461912221.db2.gz PTBGVYPIIZCCCH-UHFFFAOYSA-N 2 2 344.528 3.294 10 0 EGAELP CCOc1c(Cl)cccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072248 461969549 /nfs/dbraw/zinc/96/95/49/461969549.db2.gz SYEGLKFPQBGUMN-UHFFFAOYSA-N 2 2 338.879 3.035 10 0 EGAELP CCOc1c(Cl)cccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072248 461969552 /nfs/dbraw/zinc/96/95/52/461969552.db2.gz SYEGLKFPQBGUMN-UHFFFAOYSA-N 2 2 338.879 3.035 10 0 EGAELP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657365678 462074837 /nfs/dbraw/zinc/07/48/37/462074837.db2.gz FFVCRNPDVBTXSQ-QGZVFWFLSA-N 3 2 349.482 3.486 10 0 EGAELP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657365677 462074943 /nfs/dbraw/zinc/07/49/43/462074943.db2.gz FFVCRNPDVBTXSQ-KRWDZBQOSA-N 3 2 349.482 3.486 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000667549177 462136719 /nfs/dbraw/zinc/13/67/19/462136719.db2.gz FAYUMIVIYXDRIT-IEBWSBKVSA-N 2 2 338.499 3.487 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000667549177 462136725 /nfs/dbraw/zinc/13/67/25/462136725.db2.gz FAYUMIVIYXDRIT-IEBWSBKVSA-N 2 2 338.499 3.487 10 0 EGAELP Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459530 462137933 /nfs/dbraw/zinc/13/79/33/462137933.db2.gz XBDZFTZNMYJLCU-AWEZNQCLSA-N 2 2 348.244 3.205 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667687298 462214387 /nfs/dbraw/zinc/21/43/87/462214387.db2.gz IGDBNPXGOPKTHW-QGZVFWFLSA-N 2 2 335.455 3.152 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667708810 462226652 /nfs/dbraw/zinc/22/66/52/462226652.db2.gz LKROGRPOVBEDQJ-VQIMIIECSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667708810 462226656 /nfs/dbraw/zinc/22/66/56/462226656.db2.gz LKROGRPOVBEDQJ-VQIMIIECSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667708810 462226669 /nfs/dbraw/zinc/22/66/69/462226669.db2.gz LKROGRPOVBEDQJ-VQIMIIECSA-N 2 2 328.504 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000648740885 462256066 /nfs/dbraw/zinc/25/60/66/462256066.db2.gz VOXMIUNBOLGGJL-AWEZNQCLSA-N 2 2 337.427 3.436 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657872675 462304365 /nfs/dbraw/zinc/30/43/65/462304365.db2.gz SAIVRHDBGMRDRI-YYWHXJBOSA-N 2 2 346.515 3.243 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657872675 462304373 /nfs/dbraw/zinc/30/43/73/462304373.db2.gz SAIVRHDBGMRDRI-YYWHXJBOSA-N 2 2 346.515 3.243 10 0 EGAELP Cc1cccn2c(NC(=O)NCc3cccc(C[NH+](C)C)c3)c[nH+]c12 ZINC000667948719 462340581 /nfs/dbraw/zinc/34/05/81/462340581.db2.gz KHUVKTWLMOVCQQ-UHFFFAOYSA-N 2 2 337.427 3.026 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(O)c1Br ZINC000651864936 462360135 /nfs/dbraw/zinc/36/01/35/462360135.db2.gz JIEADNMAHRAJRY-UHFFFAOYSA-N 2 2 329.282 3.222 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1Br ZINC000651864936 462360140 /nfs/dbraw/zinc/36/01/40/462360140.db2.gz JIEADNMAHRAJRY-UHFFFAOYSA-N 2 2 329.282 3.222 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057165 462361221 /nfs/dbraw/zinc/36/12/21/462361221.db2.gz NODVTNJUFBGGDQ-AEFFLSMTSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057165 462361230 /nfs/dbraw/zinc/36/12/30/462361230.db2.gz NODVTNJUFBGGDQ-AEFFLSMTSA-N 3 2 333.520 3.150 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658057731 462361934 /nfs/dbraw/zinc/36/19/34/462361934.db2.gz BGJINHYXUZJFIN-OALUTQOASA-N 2 2 341.503 3.180 10 0 EGAELP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658057731 462361938 /nfs/dbraw/zinc/36/19/38/462361938.db2.gz BGJINHYXUZJFIN-OALUTQOASA-N 2 2 341.503 3.180 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277053 462379667 /nfs/dbraw/zinc/37/96/67/462379667.db2.gz RTDUMTRDGRLIDX-NJYVYQBISA-N 3 2 341.543 3.409 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277053 462379674 /nfs/dbraw/zinc/37/96/74/462379674.db2.gz RTDUMTRDGRLIDX-NJYVYQBISA-N 3 2 341.543 3.409 10 0 EGAELP OCC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000652036691 462413133 /nfs/dbraw/zinc/41/31/33/462413133.db2.gz RVVIKVVBGHEMID-UHFFFAOYSA-N 2 2 336.907 3.447 10 0 EGAELP C[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+]1CCOCC1 ZINC000652153222 462453665 /nfs/dbraw/zinc/45/36/65/462453665.db2.gz DHJNLYHZTPGXJW-XLIONFOSSA-N 2 2 331.504 3.261 10 0 EGAELP CCc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(C)[nH+]1 ZINC000624527203 469968406 /nfs/dbraw/zinc/96/84/06/469968406.db2.gz MQJJWSAZBNPTQV-KRWDZBQOSA-N 2 2 326.444 3.042 10 0 EGAELP CCc1cc(NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(C)[nH+]1 ZINC000624527203 469968411 /nfs/dbraw/zinc/96/84/11/469968411.db2.gz MQJJWSAZBNPTQV-KRWDZBQOSA-N 2 2 326.444 3.042 10 0 EGAELP CN(C)c1nc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000607142975 479780801 /nfs/dbraw/zinc/78/08/01/479780801.db2.gz UBPGJWUISSPWQI-MRXNPFEDSA-N 2 2 345.878 3.445 10 0 EGAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070456006 523821914 /nfs/dbraw/zinc/82/19/14/523821914.db2.gz XHHIYDSYIAIRPQ-UHFFFAOYSA-N 2 2 326.444 3.126 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672946 546539192 /nfs/dbraw/zinc/53/91/92/546539192.db2.gz WBPAWCVLDDYHKE-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672946 546539197 /nfs/dbraw/zinc/53/91/97/546539197.db2.gz WBPAWCVLDDYHKE-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000389556282 547826770 /nfs/dbraw/zinc/82/67/70/547826770.db2.gz RQNSJBGVKYJWJJ-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000389556282 547826773 /nfs/dbraw/zinc/82/67/73/547826773.db2.gz RQNSJBGVKYJWJJ-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000678277807 549456312 /nfs/dbraw/zinc/45/63/12/549456312.db2.gz FICJOMONOJCLMS-CRAIPNDOSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000678277807 549456314 /nfs/dbraw/zinc/45/63/14/549456314.db2.gz FICJOMONOJCLMS-CRAIPNDOSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277807 549456317 /nfs/dbraw/zinc/45/63/17/549456317.db2.gz FICJOMONOJCLMS-CRAIPNDOSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277807 549456318 /nfs/dbraw/zinc/45/63/18/549456318.db2.gz FICJOMONOJCLMS-CRAIPNDOSA-N 2 2 346.906 3.499 10 0 EGAELP Cc1nc([C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cs1 ZINC000678586884 549525087 /nfs/dbraw/zinc/52/50/87/549525087.db2.gz LQQWGBIJYCTOJJ-UKRRQHHQSA-N 2 2 344.484 3.130 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000678926114 549595975 /nfs/dbraw/zinc/59/59/75/549595975.db2.gz UKGYDAZTPZVITK-KZNAEPCWSA-N 2 2 327.472 3.497 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000683766520 550259273 /nfs/dbraw/zinc/25/92/73/550259273.db2.gz AHVYXUZGZWATMM-HNNXBMFYSA-N 2 2 338.377 3.279 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000683766520 550259274 /nfs/dbraw/zinc/25/92/74/550259274.db2.gz AHVYXUZGZWATMM-HNNXBMFYSA-N 2 2 338.377 3.279 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000684380029 550322076 /nfs/dbraw/zinc/32/20/76/550322076.db2.gz XPYVDOZJRPACCK-IAGOWNOFSA-N 2 2 326.550 3.285 10 0 EGAELP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000685629666 550434724 /nfs/dbraw/zinc/43/47/24/550434724.db2.gz ITUPKZFYFLOSSJ-DZGCQCFKSA-N 2 2 329.444 3.243 10 0 EGAELP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000685629666 550434726 /nfs/dbraw/zinc/43/47/26/550434726.db2.gz ITUPKZFYFLOSSJ-DZGCQCFKSA-N 2 2 329.444 3.243 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000399601165 574525924 /nfs/dbraw/zinc/52/59/24/574525924.db2.gz CEAIAXPCLGNFCQ-UFRUDQCGSA-N 2 2 336.435 3.025 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000399601165 574525927 /nfs/dbraw/zinc/52/59/27/574525927.db2.gz CEAIAXPCLGNFCQ-UFRUDQCGSA-N 2 2 336.435 3.025 10 0 EGAELP C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000166536619 1294362259 /nfs/dbraw/zinc/36/22/59/1294362259.db2.gz KKQOFEISELYYCK-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000166536619 1294362266 /nfs/dbraw/zinc/36/22/66/1294362266.db2.gz KKQOFEISELYYCK-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000166536492 1294362651 /nfs/dbraw/zinc/36/26/51/1294362651.db2.gz KKQOFEISELYYCK-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000166536492 1294362657 /nfs/dbraw/zinc/36/26/57/1294362657.db2.gz KKQOFEISELYYCK-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)Cc2ccccc2C1 ZINC000872038104 1296689061 /nfs/dbraw/zinc/68/90/61/1296689061.db2.gz IMNHVGCZQQPJLY-OALUTQOASA-N 2 2 330.516 3.269 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C(F)(F)F ZINC000872150396 1296769632 /nfs/dbraw/zinc/76/96/32/1296769632.db2.gz DZTLJWKKADAAEQ-AAEUAGOBSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C(F)(F)F ZINC000872150396 1296769644 /nfs/dbraw/zinc/76/96/44/1296769644.db2.gz DZTLJWKKADAAEQ-AAEUAGOBSA-N 2 2 343.780 3.457 10 0 EGAELP C[N@H+](CCCCCC[NH3+])Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000872155106 1296773649 /nfs/dbraw/zinc/77/36/49/1296773649.db2.gz CGGORWMMKTYCPR-UHFFFAOYSA-N 2 2 340.830 3.480 10 0 EGAELP C[N@@H+](CCCCCC[NH3+])Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000872155106 1296773659 /nfs/dbraw/zinc/77/36/59/1296773659.db2.gz CGGORWMMKTYCPR-UHFFFAOYSA-N 2 2 340.830 3.480 10 0 EGAELP CC[NH+](CC)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306571882 1297067495 /nfs/dbraw/zinc/06/74/95/1297067495.db2.gz HHSSXSNANWACKV-NRFANRHFSA-N 2 2 326.484 3.392 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000388218551 1297599349 /nfs/dbraw/zinc/59/93/49/1297599349.db2.gz XWTGAAHJXZCZDR-RYUDHWBXSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000388218551 1297599355 /nfs/dbraw/zinc/59/93/55/1297599355.db2.gz XWTGAAHJXZCZDR-RYUDHWBXSA-N 2 2 327.266 3.017 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050668 1306191914 /nfs/dbraw/zinc/19/19/14/1306191914.db2.gz SPNSBHCUCWSVPZ-YOEHRIQHSA-N 2 2 335.492 3.087 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050668 1306191917 /nfs/dbraw/zinc/19/19/17/1306191917.db2.gz SPNSBHCUCWSVPZ-YOEHRIQHSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050668 1306191922 /nfs/dbraw/zinc/19/19/22/1306191922.db2.gz SPNSBHCUCWSVPZ-YOEHRIQHSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050668 1306191930 /nfs/dbraw/zinc/19/19/30/1306191930.db2.gz SPNSBHCUCWSVPZ-YOEHRIQHSA-N 2 2 335.492 3.087 10 0 EGAELP COC(=O)c1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)oc1C ZINC000895110519 1309194803 /nfs/dbraw/zinc/19/48/03/1309194803.db2.gz OIESIKBCBPLYGH-SHTZXODSSA-N 2 2 343.427 3.046 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cnc3ccccc3n2)c2cccc[nH+]2)CC1 ZINC000895111224 1309195380 /nfs/dbraw/zinc/19/53/80/1309195380.db2.gz CDTTWMPHUSFHHC-JCNLHEQBSA-N 2 2 333.439 3.301 10 0 EGAELP Cn1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc21 ZINC000895112857 1309196199 /nfs/dbraw/zinc/19/61/99/1309196199.db2.gz YMAMEMJJVGAVLT-WKILWMFISA-N 2 2 335.455 3.245 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782391 1328699593 /nfs/dbraw/zinc/69/95/93/1328699593.db2.gz VEQFMDXASHGOQO-UKRRQHHQSA-N 2 2 340.309 3.457 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782391 1328699596 /nfs/dbraw/zinc/69/95/96/1328699596.db2.gz VEQFMDXASHGOQO-UKRRQHHQSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782391 1328699600 /nfs/dbraw/zinc/69/96/00/1328699600.db2.gz VEQFMDXASHGOQO-UKRRQHHQSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782391 1328699605 /nfs/dbraw/zinc/69/96/05/1328699605.db2.gz VEQFMDXASHGOQO-UKRRQHHQSA-N 2 2 340.309 3.457 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992505 1328759782 /nfs/dbraw/zinc/75/97/82/1328759782.db2.gz RWQJSUMLUKNSBO-OAHLLOKOSA-N 2 2 333.476 3.491 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992505 1328759788 /nfs/dbraw/zinc/75/97/88/1328759788.db2.gz RWQJSUMLUKNSBO-OAHLLOKOSA-N 2 2 333.476 3.491 10 0 EGAELP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)NC(=O)OC(C)(C)C ZINC000858533411 1328789750 /nfs/dbraw/zinc/78/97/50/1328789750.db2.gz SGITXHGVHYAUGX-BFYDXBDKSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)NC(=O)OC(C)(C)C ZINC000858533411 1328789755 /nfs/dbraw/zinc/78/97/55/1328789755.db2.gz SGITXHGVHYAUGX-BFYDXBDKSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000921816313 1322404382 /nfs/dbraw/zinc/40/43/82/1322404382.db2.gz HOVSPIIRFBWSLM-FUHWJXTLSA-N 2 2 338.499 3.052 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000921816313 1322404385 /nfs/dbraw/zinc/40/43/85/1322404385.db2.gz HOVSPIIRFBWSLM-FUHWJXTLSA-N 2 2 338.499 3.052 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)s1 ZINC000922773429 1322614481 /nfs/dbraw/zinc/61/44/81/1322614481.db2.gz XPSMQRKYDGMTJN-GDBMZVCRSA-N 2 2 337.439 3.343 10 0 EGAELP CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000922865173 1322635094 /nfs/dbraw/zinc/63/50/94/1322635094.db2.gz VNMUTJBESYSGKH-QWHCGFSZSA-N 2 2 343.456 3.305 10 0 EGAELP COC[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000922946488 1322656750 /nfs/dbraw/zinc/65/67/50/1322656750.db2.gz JPRVVLSNBWYIRU-KRWDZBQOSA-N 2 2 333.520 3.230 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000922956240 1322660897 /nfs/dbraw/zinc/66/08/97/1322660897.db2.gz RCYSKSFOTBUERK-BBIZLLLXSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000922956240 1322660902 /nfs/dbraw/zinc/66/09/02/1322660902.db2.gz RCYSKSFOTBUERK-BBIZLLLXSA-N 2 2 328.500 3.468 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC000923027833 1322677689 /nfs/dbraw/zinc/67/76/89/1322677689.db2.gz JMKPFNITRMHAQX-HXUWFJFHSA-N 2 2 343.515 3.413 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000924539370 1323047335 /nfs/dbraw/zinc/04/73/35/1323047335.db2.gz CJPYCIBFVSPVQB-PKOBYXMFSA-N 2 2 332.536 3.294 10 0 EGAELP c1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924652250 1323094643 /nfs/dbraw/zinc/09/46/43/1323094643.db2.gz FGBZOMHFFIZPJP-PMACEKPBSA-N 2 2 328.500 3.341 10 0 EGAELP c1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924652250 1323094654 /nfs/dbraw/zinc/09/46/54/1323094654.db2.gz FGBZOMHFFIZPJP-PMACEKPBSA-N 2 2 328.500 3.341 10 0 EGAELP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1([NH+]2CCSCC2)CCCC1 ZINC000924657850 1323097477 /nfs/dbraw/zinc/09/74/77/1323097477.db2.gz XALHIWNFIIMLGC-MQVJKMGUSA-N 2 2 326.575 3.364 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000924829654 1323180770 /nfs/dbraw/zinc/18/07/70/1323180770.db2.gz RTRNVTUEICSTGX-HNNXBMFYSA-N 2 2 329.492 3.297 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000924829654 1323180776 /nfs/dbraw/zinc/18/07/76/1323180776.db2.gz RTRNVTUEICSTGX-HNNXBMFYSA-N 2 2 329.492 3.297 10 0 EGAELP Cc1nn(C)cc1C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931225110 1329075338 /nfs/dbraw/zinc/07/53/38/1329075338.db2.gz QESYXRSYCICVGV-OYRHEFFESA-N 2 2 338.499 3.073 10 0 EGAELP Cc1nn(C)cc1C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931225110 1329075343 /nfs/dbraw/zinc/07/53/43/1329075343.db2.gz QESYXRSYCICVGV-OYRHEFFESA-N 2 2 338.499 3.073 10 0 EGAELP Cc1nn(C)cc1C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931225110 1329075347 /nfs/dbraw/zinc/07/53/47/1329075347.db2.gz QESYXRSYCICVGV-OYRHEFFESA-N 2 2 338.499 3.073 10 0 EGAELP Cc1nn(C)cc1C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931225110 1329075349 /nfs/dbraw/zinc/07/53/49/1329075349.db2.gz QESYXRSYCICVGV-OYRHEFFESA-N 2 2 338.499 3.073 10 0 EGAELP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924912975 1323210002 /nfs/dbraw/zinc/21/00/02/1323210002.db2.gz SPGBQBSWSBDFPT-QGZVFWFLSA-N 2 2 337.895 3.203 10 0 EGAELP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000925057720 1323259583 /nfs/dbraw/zinc/25/95/83/1323259583.db2.gz SXJNTOGOHHBOPK-MAUKXSAKSA-N 2 2 349.906 3.345 10 0 EGAELP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1 ZINC000925057476 1323259925 /nfs/dbraw/zinc/25/99/25/1323259925.db2.gz HICBXQBHOOZNDR-FUHWJXTLSA-N 2 2 332.488 3.044 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000925590911 1325223188 /nfs/dbraw/zinc/22/31/88/1325223188.db2.gz LUZFGKRLFXFMAW-KKSFZXQISA-N 2 2 343.515 3.402 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774942 1325295303 /nfs/dbraw/zinc/29/53/03/1325295303.db2.gz APADKILXBXMRIZ-CJNGLKHVSA-N 3 2 334.414 3.076 10 0 EGAELP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774942 1325295308 /nfs/dbraw/zinc/29/53/08/1325295308.db2.gz APADKILXBXMRIZ-CJNGLKHVSA-N 2 2 334.414 3.076 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926224043 1325480931 /nfs/dbraw/zinc/48/09/31/1325480931.db2.gz LDSLCJGDZWAZKZ-QZTJIDSGSA-N 2 2 349.519 3.160 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926224043 1325480935 /nfs/dbraw/zinc/48/09/35/1325480935.db2.gz LDSLCJGDZWAZKZ-QZTJIDSGSA-N 2 2 349.519 3.160 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324243 1325516719 /nfs/dbraw/zinc/51/67/19/1325516719.db2.gz DEFOSTFQMKVCAQ-PKOBYXMFSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324243 1325516723 /nfs/dbraw/zinc/51/67/23/1325516723.db2.gz DEFOSTFQMKVCAQ-PKOBYXMFSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc[nH]c(=O)c1 ZINC000926330318 1325518014 /nfs/dbraw/zinc/51/80/14/1325518014.db2.gz LLGJZRVFSOUGRE-QGLTVNCISA-N 2 2 343.393 3.243 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000926644882 1327649892 /nfs/dbraw/zinc/64/98/92/1327649892.db2.gz LPBANGMCSBHJLT-ZDUSSCGKSA-N 2 2 328.298 3.473 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000926644882 1327649881 /nfs/dbraw/zinc/64/98/81/1327649881.db2.gz LPBANGMCSBHJLT-ZDUSSCGKSA-N 2 2 328.298 3.473 10 0 EGAELP CC1(C)C[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C(C)(C)O1 ZINC000927100767 1327863005 /nfs/dbraw/zinc/86/30/05/1327863005.db2.gz JEWWTZQGEWTUOE-QGZVFWFLSA-N 2 2 331.504 3.229 10 0 EGAELP c1ccc([C@@]2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCCO2)cc1 ZINC000927116106 1327873157 /nfs/dbraw/zinc/87/31/57/1327873157.db2.gz RUDMVDSPHFLEMB-NRFANRHFSA-N 2 2 337.467 3.346 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)(F)F ZINC000865416544 1329694417 /nfs/dbraw/zinc/69/44/17/1329694417.db2.gz BZSVZLISBFMTME-CHWSQXEVSA-N 2 2 332.341 3.441 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)(F)F ZINC000865416544 1329694418 /nfs/dbraw/zinc/69/44/18/1329694418.db2.gz BZSVZLISBFMTME-CHWSQXEVSA-N 2 2 332.341 3.441 10 0 EGAELP Cn1ncc2cc(C[NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000865533367 1329710336 /nfs/dbraw/zinc/71/03/36/1329710336.db2.gz GQDAEOYUTNGKIL-NRFANRHFSA-N 2 2 349.482 3.113 10 0 EGAELP Cn1ncc2cc(C[NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)cnc21 ZINC000865533367 1329710337 /nfs/dbraw/zinc/71/03/37/1329710337.db2.gz GQDAEOYUTNGKIL-NRFANRHFSA-N 2 2 349.482 3.113 10 0 EGAELP O=C(c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1)N1CCCC1 ZINC000865643348 1329724291 /nfs/dbraw/zinc/72/42/91/1329724291.db2.gz LLYMHWRWEICZHY-FQEVSTJZSA-N 2 2 341.499 3.029 10 0 EGAELP O=C(c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1)N1CCCC1 ZINC000865643348 1329724292 /nfs/dbraw/zinc/72/42/92/1329724292.db2.gz LLYMHWRWEICZHY-FQEVSTJZSA-N 2 2 341.499 3.029 10 0 EGAELP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702953 1330142586 /nfs/dbraw/zinc/14/25/86/1330142586.db2.gz FIVYRKKZHVFBNZ-ORAYPTAESA-N 2 2 328.460 3.093 10 0 EGAELP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702953 1330142587 /nfs/dbraw/zinc/14/25/87/1330142587.db2.gz FIVYRKKZHVFBNZ-ORAYPTAESA-N 2 2 328.460 3.093 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324161520 1387549584 /nfs/dbraw/zinc/54/95/84/1387549584.db2.gz GYGJZQFBLUQBCB-WRFKIARRSA-N 2 2 340.471 3.193 10 0 EGAELP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001324752529 1387760260 /nfs/dbraw/zinc/76/02/60/1387760260.db2.gz QSJBRSCYNMZJDS-HXUWFJFHSA-N 2 2 348.535 3.335 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155986 1388410644 /nfs/dbraw/zinc/41/06/44/1388410644.db2.gz JOOWNYIDHZOOCE-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155986 1388410647 /nfs/dbraw/zinc/41/06/47/1388410647.db2.gz JOOWNYIDHZOOCE-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155986 1388410651 /nfs/dbraw/zinc/41/06/51/1388410651.db2.gz JOOWNYIDHZOOCE-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155986 1388410656 /nfs/dbraw/zinc/41/06/56/1388410656.db2.gz JOOWNYIDHZOOCE-IAGOWNOFSA-N 2 2 348.535 3.385 10 0 EGAELP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001135461957 1377105349 /nfs/dbraw/zinc/10/53/49/1377105349.db2.gz UNWCGRAOJKIMLC-MRXNPFEDSA-N 2 2 349.862 3.027 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001265688197 1377159635 /nfs/dbraw/zinc/15/96/35/1377159635.db2.gz OMABDZPEHGKIEE-TUYSUELWSA-N 2 2 346.519 3.404 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCCc2ccccc2)c(C)[nH+]1 ZINC001266783174 1377380671 /nfs/dbraw/zinc/38/06/71/1377380671.db2.gz SMAZOVHEKINRSQ-UHFFFAOYSA-N 2 2 339.483 3.301 10 0 EGAELP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266844325 1377392251 /nfs/dbraw/zinc/39/22/51/1377392251.db2.gz JHVHMGSYSXOPDV-MRXNPFEDSA-N 2 2 328.460 3.337 10 0 EGAELP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266844325 1377392258 /nfs/dbraw/zinc/39/22/58/1377392258.db2.gz JHVHMGSYSXOPDV-MRXNPFEDSA-N 2 2 328.460 3.337 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC001136608536 1377408268 /nfs/dbraw/zinc/40/82/68/1377408268.db2.gz FATIHVOYNIGTDH-GOSISDBHSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC001136608536 1377408269 /nfs/dbraw/zinc/40/82/69/1377408269.db2.gz FATIHVOYNIGTDH-GOSISDBHSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001278982304 1378294605 /nfs/dbraw/zinc/29/46/05/1378294605.db2.gz AVYGHLNWNJPIHI-SFHVURJKSA-N 2 2 348.535 3.364 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001278982303 1378295227 /nfs/dbraw/zinc/29/52/27/1378295227.db2.gz AVYGHLNWNJPIHI-GOSISDBHSA-N 2 2 348.535 3.364 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001282666875 1378538377 /nfs/dbraw/zinc/53/83/77/1378538377.db2.gz UAYXWSUDCRQXHF-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001282666875 1378538379 /nfs/dbraw/zinc/53/83/79/1378538379.db2.gz UAYXWSUDCRQXHF-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001283633310 1379069406 /nfs/dbraw/zinc/06/94/06/1379069406.db2.gz YORQITBUVTZIQE-HNNXBMFYSA-N 2 2 336.524 3.189 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1C ZINC001283883684 1379228405 /nfs/dbraw/zinc/22/84/05/1379228405.db2.gz DRRJQNYBQKQVRK-NVXWUHKLSA-N 2 2 347.503 3.038 10 0 EGAELP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001328006633 1388643856 /nfs/dbraw/zinc/64/38/56/1388643856.db2.gz GWYOZJXYVTUKCH-INIZCTEOSA-N 2 2 335.467 3.339 10 0 EGAELP CCC[NH+]1CCC(CNc2nc(C)[nH+]c(C)c2Br)CC1 ZINC001306957382 1383925530 /nfs/dbraw/zinc/92/55/30/1383925530.db2.gz WAZGDQIYRLXDBP-UHFFFAOYSA-N 2 2 341.297 3.390 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](CC[C@@H]3CCCC3(F)F)CC2)c1 ZINC001307463037 1383996059 /nfs/dbraw/zinc/99/60/59/1383996059.db2.gz ZHSSCUFVOXYBJI-AWEZNQCLSA-N 2 2 325.403 3.038 10 0 EGAELP Cc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)c(C)[nH+]1 ZINC001307948888 1384061802 /nfs/dbraw/zinc/06/18/02/1384061802.db2.gz YWGGQTWGKDGKGM-HXUWFJFHSA-N 2 2 326.488 3.369 10 0 EGAELP Cc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)c(C)[nH+]1 ZINC001307948888 1384061805 /nfs/dbraw/zinc/06/18/05/1384061805.db2.gz YWGGQTWGKDGKGM-HXUWFJFHSA-N 2 2 326.488 3.369 10 0 EGAELP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308166265 1384104074 /nfs/dbraw/zinc/10/40/74/1384104074.db2.gz VEMGALYLPBAZJA-SJORKVTESA-N 2 2 346.519 3.217 10 0 EGAELP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308166265 1384104076 /nfs/dbraw/zinc/10/40/76/1384104076.db2.gz VEMGALYLPBAZJA-SJORKVTESA-N 2 2 346.519 3.217 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001316618709 1384485103 /nfs/dbraw/zinc/48/51/03/1384485103.db2.gz SOWFVBLLEXIRJZ-QHHIFSJYSA-N 2 2 329.488 3.461 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001316719881 1384538983 /nfs/dbraw/zinc/53/89/83/1384538983.db2.gz JDRAELPXJHGNOD-MNEFBYGVSA-N 2 2 346.519 3.138 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001316719881 1384538989 /nfs/dbraw/zinc/53/89/89/1384538989.db2.gz JDRAELPXJHGNOD-MNEFBYGVSA-N 2 2 346.519 3.138 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317189911 1384964049 /nfs/dbraw/zinc/96/40/49/1384964049.db2.gz PJKAURHKQXXCFJ-SFHVURJKSA-N 2 2 348.535 3.334 10 0 EGAELP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001317418732 1385127816 /nfs/dbraw/zinc/12/78/16/1385127816.db2.gz YNHBJZGMMHNQAA-RHSMWYFYSA-N 2 2 348.878 3.172 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)c1 ZINC001317702062 1385407912 /nfs/dbraw/zinc/40/79/12/1385407912.db2.gz NNELOIOHIAUXNK-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)c1 ZINC001317702062 1385407913 /nfs/dbraw/zinc/40/79/13/1385407913.db2.gz NNELOIOHIAUXNK-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001318965903 1385900511 /nfs/dbraw/zinc/90/05/11/1385900511.db2.gz MIUAUXZRNVPZSH-WGSAOQKQSA-N 2 2 344.503 3.181 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001319769695 1386288906 /nfs/dbraw/zinc/28/89/06/1386288906.db2.gz NXDPDSWGYGNUDP-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319870705 1386348607 /nfs/dbraw/zinc/34/86/07/1386348607.db2.gz UALZUDWAQRCIHX-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321563642 1386930706 /nfs/dbraw/zinc/93/07/06/1386930706.db2.gz LUSPUWPNEPMOFJ-DXWDOBMASA-N 2 2 348.450 3.374 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001698684874 1406331915 /nfs/dbraw/zinc/33/19/15/1406331915.db2.gz WEIYAXJTQKZKBF-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001321921167 1387011002 /nfs/dbraw/zinc/01/10/02/1387011002.db2.gz VIKIIWWEQUNNDF-VTGFLYEISA-N 2 2 348.450 3.146 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001322182044 1387090160 /nfs/dbraw/zinc/09/01/60/1387090160.db2.gz DENNRLYKLAZNSA-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001322182044 1387090164 /nfs/dbraw/zinc/09/01/64/1387090164.db2.gz DENNRLYKLAZNSA-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001322730400 1387231898 /nfs/dbraw/zinc/23/18/98/1387231898.db2.gz GGIAZUYCWUDJML-SJORKVTESA-N 2 2 342.487 3.096 10 0 EGAELP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001322730400 1387231899 /nfs/dbraw/zinc/23/18/99/1387231899.db2.gz GGIAZUYCWUDJML-SJORKVTESA-N 2 2 342.487 3.096 10 0 EGAELP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001329241156 1389031797 /nfs/dbraw/zinc/03/17/97/1389031797.db2.gz UESLEZQQSJRYKE-UHFFFAOYSA-N 2 2 334.508 3.069 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001329742354 1389215535 /nfs/dbraw/zinc/21/55/35/1389215535.db2.gz MYJOCZHYNVEBSW-IAGOWNOFSA-N 2 2 344.503 3.457 10 0 EGAELP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240507 1389357716 /nfs/dbraw/zinc/35/77/16/1389357716.db2.gz DCACSKAJHIJPRZ-JKCVZHOFSA-N 2 2 346.519 3.407 10 0 EGAELP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001330240507 1389357718 /nfs/dbraw/zinc/35/77/18/1389357718.db2.gz DCACSKAJHIJPRZ-JKCVZHOFSA-N 2 2 346.519 3.407 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CC3CC(C)(C)C3)ccn12 ZINC001698749713 1406400723 /nfs/dbraw/zinc/40/07/23/1406400723.db2.gz UQVSWXMPJIEGKT-AWEZNQCLSA-N 2 2 342.487 3.034 10 0 EGAELP Cc1[nH+]cc(CN(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C ZINC001331581869 1389813381 /nfs/dbraw/zinc/81/33/81/1389813381.db2.gz VPWHVCZVGMMVGM-IBGZPJMESA-N 2 2 326.488 3.215 10 0 EGAELP Cc1[nH+]cc(CN(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C ZINC001331581869 1389813389 /nfs/dbraw/zinc/81/33/89/1389813389.db2.gz VPWHVCZVGMMVGM-IBGZPJMESA-N 2 2 326.488 3.215 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC001348171551 1391182638 /nfs/dbraw/zinc/18/26/38/1391182638.db2.gz HKXXKJGWQUKBJJ-JKSUJKDBSA-N 2 2 346.519 3.217 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC001348171551 1391182640 /nfs/dbraw/zinc/18/26/40/1391182640.db2.gz HKXXKJGWQUKBJJ-JKSUJKDBSA-N 2 2 346.519 3.217 10 0 EGAELP C[NH+]1CCC(CC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001349743383 1391361465 /nfs/dbraw/zinc/36/14/65/1391361465.db2.gz CSOYSZNYODXMKP-QGZVFWFLSA-N 2 2 346.519 3.076 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479578279 1392279569 /nfs/dbraw/zinc/27/95/69/1392279569.db2.gz JXAPZFDVEILMCJ-LMMKCTJWSA-N 2 2 348.535 3.487 10 0 EGAELP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778004 1392382625 /nfs/dbraw/zinc/38/26/25/1392382625.db2.gz JMPRJFAZVFQUDB-WEVVVXLNSA-N 2 2 348.450 3.328 10 0 EGAELP C[N@H+](C/C=C/c1ccccc1)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778004 1392382628 /nfs/dbraw/zinc/38/26/28/1392382628.db2.gz JMPRJFAZVFQUDB-WEVVVXLNSA-N 2 2 348.450 3.328 10 0 EGAELP CCCCC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001479887658 1392459814 /nfs/dbraw/zinc/45/98/14/1392459814.db2.gz ONEJNOCIVCEDAV-UHFFFAOYSA-N 2 2 342.487 3.369 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480288882 1392661126 /nfs/dbraw/zinc/66/11/26/1392661126.db2.gz YVIGOHNCNCKXQQ-DKFQHHCZSA-N 2 2 346.519 3.111 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001480552641 1392790065 /nfs/dbraw/zinc/79/00/65/1392790065.db2.gz KZMAOQSNTHYCNG-HZPDHXFCSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001480552641 1392790071 /nfs/dbraw/zinc/79/00/71/1392790071.db2.gz KZMAOQSNTHYCNG-HZPDHXFCSA-N 2 2 342.487 3.006 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCCCCF ZINC001698899040 1406631985 /nfs/dbraw/zinc/63/19/85/1406631985.db2.gz NVHHOBUYHMWEFD-HOCLYGCPSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433503 1394289623 /nfs/dbraw/zinc/28/96/23/1394289623.db2.gz WWNKEIJAUGKVFN-KRWDZBQOSA-N 2 2 340.471 3.051 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433503 1394289627 /nfs/dbraw/zinc/28/96/27/1394289627.db2.gz WWNKEIJAUGKVFN-KRWDZBQOSA-N 2 2 340.471 3.051 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001482483988 1395037689 /nfs/dbraw/zinc/03/76/89/1395037689.db2.gz QJUBNQCGEFQBQN-ZWKOTPCHSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001482483986 1395037971 /nfs/dbraw/zinc/03/79/71/1395037971.db2.gz QJUBNQCGEFQBQN-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001482490603 1395043362 /nfs/dbraw/zinc/04/33/62/1395043362.db2.gz CZBDMGRCYCFCRY-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001484374443 1395349120 /nfs/dbraw/zinc/34/91/20/1395349120.db2.gz VTDXYFOGCGOZLG-KSSFIOAISA-N 2 2 329.488 3.105 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001485214064 1395709640 /nfs/dbraw/zinc/70/96/40/1395709640.db2.gz DKBXQYIMLWUZMQ-GJZGRUSLSA-N 2 2 342.487 3.067 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001485315751 1395790126 /nfs/dbraw/zinc/79/01/26/1395790126.db2.gz LIBROASGPGPTCZ-IRXDYDNUSA-N 2 2 342.487 3.157 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001485315751 1395790130 /nfs/dbraw/zinc/79/01/30/1395790130.db2.gz LIBROASGPGPTCZ-IRXDYDNUSA-N 2 2 342.487 3.157 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001485315751 1395790131 /nfs/dbraw/zinc/79/01/31/1395790131.db2.gz LIBROASGPGPTCZ-IRXDYDNUSA-N 2 2 342.487 3.157 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001485315751 1395790135 /nfs/dbraw/zinc/79/01/35/1395790135.db2.gz LIBROASGPGPTCZ-IRXDYDNUSA-N 2 2 342.487 3.157 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001498494534 1397037933 /nfs/dbraw/zinc/03/79/33/1397037933.db2.gz AKEKTJMBNXNJRD-ZWKOTPCHSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@H](CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001690027772 1404266748 /nfs/dbraw/zinc/26/67/48/1404266748.db2.gz YOCGUNPIKOIXKJ-MRXNPFEDSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094538 1404296045 /nfs/dbraw/zinc/29/60/45/1404296045.db2.gz JCGORWBFSGYPJS-MSOLQXFVSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094538 1404296047 /nfs/dbraw/zinc/29/60/47/1404296047.db2.gz JCGORWBFSGYPJS-MSOLQXFVSA-N 2 2 346.519 3.097 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690413610 1404545431 /nfs/dbraw/zinc/54/54/31/1404545431.db2.gz HDTKZXQTIQCGPT-HUUCEWRRSA-N 2 2 328.460 3.051 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690498414 1404611141 /nfs/dbraw/zinc/61/11/41/1404611141.db2.gz HWHDGABDTFTBSS-ZWKOTPCHSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690498414 1404611142 /nfs/dbraw/zinc/61/11/42/1404611142.db2.gz HWHDGABDTFTBSS-ZWKOTPCHSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)ccn12 ZINC001690575113 1404637062 /nfs/dbraw/zinc/63/70/62/1404637062.db2.gz OAHBMTGKFVWSNQ-AWEZNQCLSA-N 2 2 330.476 3.177 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001732003052 1428214672 /nfs/dbraw/zinc/21/46/72/1428214672.db2.gz VIBRNXIFPKWXGZ-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001691794119 1405504522 /nfs/dbraw/zinc/50/45/22/1405504522.db2.gz QCELHDXLUSJAJL-LPHOPBHVSA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001691794119 1405504528 /nfs/dbraw/zinc/50/45/28/1405504528.db2.gz QCELHDXLUSJAJL-LPHOPBHVSA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001691794119 1405504529 /nfs/dbraw/zinc/50/45/29/1405504529.db2.gz QCELHDXLUSJAJL-LPHOPBHVSA-N 2 2 348.535 3.337 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001691794119 1405504535 /nfs/dbraw/zinc/50/45/35/1405504535.db2.gz QCELHDXLUSJAJL-LPHOPBHVSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968681 1405685349 /nfs/dbraw/zinc/68/53/49/1405685349.db2.gz NNNKZCBONJYOMB-INIZCTEOSA-N 2 2 342.487 3.393 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968681 1405685353 /nfs/dbraw/zinc/68/53/53/1405685353.db2.gz NNNKZCBONJYOMB-INIZCTEOSA-N 2 2 342.487 3.393 10 0 EGAELP C[N@H+](CCC(C)(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001692026695 1405745411 /nfs/dbraw/zinc/74/54/11/1405745411.db2.gz VSVDFKPOKWYNJM-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP C[N@@H+](CCC(C)(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001692026695 1405745412 /nfs/dbraw/zinc/74/54/12/1405745412.db2.gz VSVDFKPOKWYNJM-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001692087511 1405767280 /nfs/dbraw/zinc/76/72/80/1405767280.db2.gz GHUFKZOMILHBIA-SORAOUAESA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001692087511 1405767282 /nfs/dbraw/zinc/76/72/82/1405767282.db2.gz GHUFKZOMILHBIA-SORAOUAESA-N 2 2 346.519 3.161 10 0 EGAELP CCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001692322840 1405941397 /nfs/dbraw/zinc/94/13/97/1405941397.db2.gz UKQLGTJTAMTHHE-QGZVFWFLSA-N 2 2 334.508 3.088 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001732174487 1428420020 /nfs/dbraw/zinc/42/00/20/1428420020.db2.gz VPEVXZDLDQJVKQ-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001732174487 1428420021 /nfs/dbraw/zinc/42/00/21/1428420021.db2.gz VPEVXZDLDQJVKQ-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001732392180 1428560951 /nfs/dbraw/zinc/56/09/51/1428560951.db2.gz QKOIWTYHSJBCDZ-HZPDHXFCSA-N 2 2 346.519 3.358 10 0 EGAELP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001732392180 1428560953 /nfs/dbraw/zinc/56/09/53/1428560953.db2.gz QKOIWTYHSJBCDZ-HZPDHXFCSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001732532512 1428653524 /nfs/dbraw/zinc/65/35/24/1428653524.db2.gz PRAMBYNGBSSVMM-SJORKVTESA-N 2 2 348.535 3.006 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699761513 1413167174 /nfs/dbraw/zinc/16/71/74/1413167174.db2.gz FENQWCCOHLKEIU-WLMCBFPDSA-N 2 2 332.492 3.014 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001732544453 1428717793 /nfs/dbraw/zinc/71/77/93/1428717793.db2.gz CJLWJQOXSMGEQQ-HKUYNNGSSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001699934932 1413378205 /nfs/dbraw/zinc/37/82/05/1413378205.db2.gz RGJUXWHKGSLKHB-LJQANCHMSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001700065491 1413482045 /nfs/dbraw/zinc/48/20/45/1413482045.db2.gz JXWICAOBXXTARH-OALUTQOASA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001700065494 1413482174 /nfs/dbraw/zinc/48/21/74/1413482174.db2.gz JXWICAOBXXTARH-RTBURBONSA-N 2 2 346.519 3.265 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353216 1413848502 /nfs/dbraw/zinc/84/85/02/1413848502.db2.gz LLXZDFJRMAEEJS-QAPCUYQASA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353216 1413848508 /nfs/dbraw/zinc/84/85/08/1413848508.db2.gz LLXZDFJRMAEEJS-QAPCUYQASA-N 2 2 342.487 3.225 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001700353651 1413851298 /nfs/dbraw/zinc/85/12/98/1413851298.db2.gz HSCZDGUZENOGKQ-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001700353651 1413851309 /nfs/dbraw/zinc/85/13/09/1413851309.db2.gz HSCZDGUZENOGKQ-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001700353651 1413851319 /nfs/dbraw/zinc/85/13/19/1413851319.db2.gz HSCZDGUZENOGKQ-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001700353651 1413851326 /nfs/dbraw/zinc/85/13/26/1413851326.db2.gz HSCZDGUZENOGKQ-LJQANCHMSA-N 2 2 344.503 3.156 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360812 1413871711 /nfs/dbraw/zinc/87/17/11/1413871711.db2.gz QRAACVVNVROEBP-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360812 1413871715 /nfs/dbraw/zinc/87/17/15/1413871715.db2.gz QRAACVVNVROEBP-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360812 1413871719 /nfs/dbraw/zinc/87/17/19/1413871719.db2.gz QRAACVVNVROEBP-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360812 1413871722 /nfs/dbraw/zinc/87/17/22/1413871722.db2.gz QRAACVVNVROEBP-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](F)C[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001700502332 1414150691 /nfs/dbraw/zinc/15/06/91/1414150691.db2.gz RBKVCPKDCPRZAN-CVEARBPZSA-N 2 2 348.466 3.387 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001700754953 1414424933 /nfs/dbraw/zinc/42/49/33/1414424933.db2.gz DBORGOLFFRAPRU-WBVHZDCISA-N 2 2 348.516 3.169 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001700838297 1414488923 /nfs/dbraw/zinc/48/89/23/1414488923.db2.gz SWTDBSKQWTXRLP-CDZANEANSA-N 2 2 340.471 3.192 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001701013055 1414674588 /nfs/dbraw/zinc/67/45/88/1414674588.db2.gz UDZGHCFTDQCENE-HNNXBMFYSA-N 2 2 348.535 3.304 10 0 EGAELP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001732799926 1428980444 /nfs/dbraw/zinc/98/04/44/1428980444.db2.gz SLSRHZBWOSEIJB-QGZVFWFLSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279785 1417288092 /nfs/dbraw/zinc/28/80/92/1417288092.db2.gz GMVPHSPRXDMUKC-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279785 1417288094 /nfs/dbraw/zinc/28/80/94/1417288094.db2.gz GMVPHSPRXDMUKC-IRXDYDNUSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713060808 1417616276 /nfs/dbraw/zinc/61/62/76/1417616276.db2.gz OCNFZUAPCIKYCW-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713060808 1417616279 /nfs/dbraw/zinc/61/62/79/1417616279.db2.gz OCNFZUAPCIKYCW-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1)c1c[nH+]c[nH]1 ZINC001713242142 1417828288 /nfs/dbraw/zinc/82/82/88/1417828288.db2.gz NYXVEKJKVXNTAH-QGZVFWFLSA-N 2 2 346.519 3.096 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257483 1417860639 /nfs/dbraw/zinc/86/06/39/1417860639.db2.gz DAVAWRQYYIMSTG-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257483 1417860643 /nfs/dbraw/zinc/86/06/43/1417860643.db2.gz DAVAWRQYYIMSTG-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257483 1417860646 /nfs/dbraw/zinc/86/06/46/1417860646.db2.gz DAVAWRQYYIMSTG-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257483 1417860650 /nfs/dbraw/zinc/86/06/50/1417860650.db2.gz DAVAWRQYYIMSTG-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001713271549 1417885454 /nfs/dbraw/zinc/88/54/54/1417885454.db2.gz KMEAIKKGOZDFEV-RTBURBONSA-N 2 2 346.519 3.234 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001713271549 1417885459 /nfs/dbraw/zinc/88/54/59/1417885459.db2.gz KMEAIKKGOZDFEV-RTBURBONSA-N 2 2 346.519 3.234 10 0 EGAELP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001713374434 1417985134 /nfs/dbraw/zinc/98/51/34/1417985134.db2.gz JTUVVANOHJEXCT-JKSUJKDBSA-N 2 2 346.450 3.333 10 0 EGAELP CCC[NH2+]CCc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001713385150 1417996063 /nfs/dbraw/zinc/99/60/63/1417996063.db2.gz NSKSWVDYURTVAW-UHFFFAOYSA-N 2 2 336.439 3.035 10 0 EGAELP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC1CCC2(CC2)CC1 ZINC001713418965 1418042752 /nfs/dbraw/zinc/04/27/52/1418042752.db2.gz OFXZMZGOCINQGB-SJORKVTESA-N 2 2 346.519 3.289 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001713857527 1418653823 /nfs/dbraw/zinc/65/38/23/1418653823.db2.gz XTFARZNBRHGIQL-QGZVFWFLSA-N 2 2 334.508 3.022 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001342 1418781358 /nfs/dbraw/zinc/78/13/58/1418781358.db2.gz VHUPGORVJWZJJA-OOFWQKGWSA-N 2 2 340.471 3.145 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001342 1418781361 /nfs/dbraw/zinc/78/13/61/1418781361.db2.gz VHUPGORVJWZJJA-OOFWQKGWSA-N 2 2 340.471 3.145 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005346 1418785177 /nfs/dbraw/zinc/78/51/77/1418785177.db2.gz CRYFCODRAAQVFI-YIEVGGLXSA-N 2 2 326.444 3.066 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005346 1418785181 /nfs/dbraw/zinc/78/51/81/1418785181.db2.gz CRYFCODRAAQVFI-YIEVGGLXSA-N 2 2 326.444 3.066 10 0 EGAELP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714215001 1419012723 /nfs/dbraw/zinc/01/27/23/1419012723.db2.gz VNQYDOSKZTZFCQ-CABCVRRESA-N 2 2 346.450 3.143 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607162 1419365225 /nfs/dbraw/zinc/36/52/25/1419365225.db2.gz MEZJUUHLNWVSAM-SHCNBLLESA-N 2 2 340.471 3.193 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607162 1419365227 /nfs/dbraw/zinc/36/52/27/1419365227.db2.gz MEZJUUHLNWVSAM-SHCNBLLESA-N 2 2 340.471 3.193 10 0 EGAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714734011 1419487604 /nfs/dbraw/zinc/48/76/04/1419487604.db2.gz AZJCMCOZAAKARN-UHFFFAOYSA-N 2 2 339.483 3.431 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCCC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001715144540 1419890680 /nfs/dbraw/zinc/89/06/80/1419890680.db2.gz MZBZWKDJIZGYBJ-OXQOHEQNSA-N 2 2 348.535 3.433 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001715305983 1420014910 /nfs/dbraw/zinc/01/49/10/1420014910.db2.gz HKWGWAYOLFRCFO-NVXWUHKLSA-N 2 2 335.467 3.197 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001715410194 1420106945 /nfs/dbraw/zinc/10/69/45/1420106945.db2.gz ILZJZXDBVDUPJK-KTJBFALPSA-N 2 2 346.519 3.110 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001715440415 1420125361 /nfs/dbraw/zinc/12/53/61/1420125361.db2.gz DAGRSEZWXCHNNS-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715684475 1420293446 /nfs/dbraw/zinc/29/34/46/1420293446.db2.gz HZLNSGXTFPDUOY-CABCVRRESA-N 2 2 348.878 3.172 10 0 EGAELP CCN(CC[NH2+]C[C@H](C)CC(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001715741494 1420320133 /nfs/dbraw/zinc/32/01/33/1420320133.db2.gz HKUNOODFZLPEOG-MRXNPFEDSA-N 2 2 330.476 3.068 10 0 EGAELP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716242758 1420579178 /nfs/dbraw/zinc/57/91/78/1420579178.db2.gz LLLPKXDJYKDNRI-QGZVFWFLSA-N 2 2 348.535 3.489 10 0 EGAELP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716443099 1420662176 /nfs/dbraw/zinc/66/21/76/1420662176.db2.gz LUSPUWPNEPMOFJ-RDTXFTJFSA-N 2 2 348.450 3.374 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001716520364 1420748871 /nfs/dbraw/zinc/74/88/71/1420748871.db2.gz LCHDGTWJRPPEKS-IAGOWNOFSA-N 2 2 348.535 3.352 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)c(C)[nH+]1 ZINC001716616506 1420780340 /nfs/dbraw/zinc/78/03/40/1420780340.db2.gz PATJPWFBOKWFOC-SFHVURJKSA-N 2 2 329.488 3.295 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001716868439 1420996590 /nfs/dbraw/zinc/99/65/90/1420996590.db2.gz SOJLGGUGUNKEPS-FQEVSTJZSA-N 2 2 348.535 3.007 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001717237683 1421205829 /nfs/dbraw/zinc/20/58/29/1421205829.db2.gz UQAVAOPIMUCZJJ-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001717237683 1421205832 /nfs/dbraw/zinc/20/58/32/1421205832.db2.gz UQAVAOPIMUCZJJ-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717240906 1421209304 /nfs/dbraw/zinc/20/93/04/1421209304.db2.gz PLVNSIBSNZRGRR-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717240906 1421209306 /nfs/dbraw/zinc/20/93/06/1421209306.db2.gz PLVNSIBSNZRGRR-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP CCCCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001717348675 1421287575 /nfs/dbraw/zinc/28/75/75/1421287575.db2.gz QJIBQXDIBWYZKQ-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373304 1421313682 /nfs/dbraw/zinc/31/36/82/1421313682.db2.gz HFVKDYLHWUSUBU-IRXDYDNUSA-N 2 2 348.535 3.292 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373304 1421313684 /nfs/dbraw/zinc/31/36/84/1421313684.db2.gz HFVKDYLHWUSUBU-IRXDYDNUSA-N 2 2 348.535 3.292 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCCC2CCCC2)CCCCC1 ZINC001717526306 1421461881 /nfs/dbraw/zinc/46/18/81/1421461881.db2.gz XXFNYUKESKGDCI-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001717642684 1421546587 /nfs/dbraw/zinc/54/65/87/1421546587.db2.gz DDPVCPCZQDBBPO-BFYDXBDKSA-N 2 2 342.487 3.343 10 0 EGAELP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001717696014 1421570310 /nfs/dbraw/zinc/57/03/10/1421570310.db2.gz AOHBVXAEFZSKAS-CABCVRRESA-N 2 2 348.878 3.172 10 0 EGAELP COCCCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001717964534 1421735879 /nfs/dbraw/zinc/73/58/79/1421735879.db2.gz YBTRESSLIRJUJA-KRWDZBQOSA-N 2 2 349.519 3.168 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001723840165 1424582353 /nfs/dbraw/zinc/58/23/53/1424582353.db2.gz AUPFJYQGXSZFOJ-HOTGVXAUSA-N 2 2 334.508 3.138 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001723840165 1424582363 /nfs/dbraw/zinc/58/23/63/1424582363.db2.gz AUPFJYQGXSZFOJ-HOTGVXAUSA-N 2 2 334.508 3.138 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001733553085 1429752584 /nfs/dbraw/zinc/75/25/84/1429752584.db2.gz HRPGXSXGOXOSSP-DOTOQJQBSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001733551006 1429751745 /nfs/dbraw/zinc/75/17/45/1429751745.db2.gz KYQRQMUWLSELEZ-QAPCUYQASA-N 2 2 331.504 3.351 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001733568714 1429771403 /nfs/dbraw/zinc/77/14/03/1429771403.db2.gz MSYNDZSCCXOWNZ-IYARVYRRSA-N 2 2 348.535 3.222 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC1=CCCCC1 ZINC001725003561 1425414576 /nfs/dbraw/zinc/41/45/76/1425414576.db2.gz QUTRBEFPPHKNFL-IEBWSBKVSA-N 2 2 344.503 3.133 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC1=CCCCC1 ZINC001725003561 1425414580 /nfs/dbraw/zinc/41/45/80/1425414580.db2.gz QUTRBEFPPHKNFL-IEBWSBKVSA-N 2 2 344.503 3.133 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3CC(C[NH2+]CCC(C)(C)C)C3)ccn12 ZINC001725063600 1425505151 /nfs/dbraw/zinc/50/51/51/1425505151.db2.gz CJHNHNGIIUIUME-UHFFFAOYSA-N 2 2 342.487 3.177 10 0 EGAELP CC1(C)CC(C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCCC2)C1 ZINC001725221084 1425790107 /nfs/dbraw/zinc/79/01/07/1425790107.db2.gz GYXZFCWHKAQZSF-UHFFFAOYSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]CCCF)CCCCC3)ccn12 ZINC001725224730 1425793089 /nfs/dbraw/zinc/79/30/89/1425793089.db2.gz UINMQMSJUMEXGT-UHFFFAOYSA-N 2 2 346.450 3.025 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001725363338 1426013110 /nfs/dbraw/zinc/01/31/10/1426013110.db2.gz FJMWFVUSBWJGPL-ZBABMDLNSA-N 2 2 346.519 3.145 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]C/C=C\Cl)C(C)C)ccn12 ZINC001725442161 1426103016 /nfs/dbraw/zinc/10/30/16/1426103016.db2.gz IISBMKSTXPXHMN-HQQUCIOCSA-N 2 2 348.878 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001731242038 1427197921 /nfs/dbraw/zinc/19/79/21/1427197921.db2.gz WAOJSHXQBKZQJI-UHFFFAOYSA-N 2 2 342.487 3.131 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001731242038 1427197928 /nfs/dbraw/zinc/19/79/28/1427197928.db2.gz WAOJSHXQBKZQJI-UHFFFAOYSA-N 2 2 342.487 3.131 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001731267495 1427215112 /nfs/dbraw/zinc/21/51/12/1427215112.db2.gz JRBIFTDCBDSXCO-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001731267495 1427215113 /nfs/dbraw/zinc/21/51/13/1427215113.db2.gz JRBIFTDCBDSXCO-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731548158 1427565387 /nfs/dbraw/zinc/56/53/87/1427565387.db2.gz QOLKGDYPKMULIS-MRXNPFEDSA-N 2 2 326.444 3.113 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001731549380 1427567135 /nfs/dbraw/zinc/56/71/35/1427567135.db2.gz SUTIHXVLIIDTLA-OAHLLOKOSA-N 2 2 334.508 3.094 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001731661481 1427713384 /nfs/dbraw/zinc/71/33/84/1427713384.db2.gz CVAMSQAUKFVDOM-MRXNPFEDSA-N 2 2 340.471 3.195 10 0 EGAELP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)CC1CCC(C)CC1 ZINC001731813363 1428001927 /nfs/dbraw/zinc/00/19/27/1428001927.db2.gz NYHQFJNFKOERRT-ADKAHSJRSA-N 2 2 334.508 3.099 10 0 EGAELP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)CC1CCC(C)CC1 ZINC001731813363 1428001931 /nfs/dbraw/zinc/00/19/31/1428001931.db2.gz NYHQFJNFKOERRT-ADKAHSJRSA-N 2 2 334.508 3.099 10 0 EGAELP COc1cc[nH+]cc1CC(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001733682350 1429894132 /nfs/dbraw/zinc/89/41/32/1429894132.db2.gz RIFQCISISDGQNP-OAHLLOKOSA-N 2 2 341.455 3.008 10 0 EGAELP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001733695259 1429912889 /nfs/dbraw/zinc/91/28/89/1429912889.db2.gz WQWRVNKSWQINRN-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001733809537 1430084663 /nfs/dbraw/zinc/08/46/63/1430084663.db2.gz MIDFJYCGDCEPNB-VOTSOKGWSA-N 2 2 346.519 3.070 10 0 EGAELP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920338 1437734313 /nfs/dbraw/zinc/73/43/13/1437734313.db2.gz FJSUYNMENONKAW-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP CC[N@@H+](CCC(C)C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001733920338 1437734314 /nfs/dbraw/zinc/73/43/14/1437734314.db2.gz FJSUYNMENONKAW-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC3CCCCC3)ccn12 ZINC001733974960 1437774856 /nfs/dbraw/zinc/77/48/56/1437774856.db2.gz XKBPYTCJMZTFDX-HOTGVXAUSA-N 2 2 342.487 3.319 10 0 EGAELP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCCC1CCC1 ZINC001733980188 1437777604 /nfs/dbraw/zinc/77/76/04/1437777604.db2.gz CBCIACQMCHOIMZ-GJZGRUSLSA-N 2 2 328.460 3.011 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001733984265 1437780692 /nfs/dbraw/zinc/78/06/92/1437780692.db2.gz QUIUJYGQLGTJAS-UONOGXRCSA-N 2 2 331.485 3.365 10 0 EGAELP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734104609 1437890933 /nfs/dbraw/zinc/89/09/33/1437890933.db2.gz WBZRZKPPTRAVAX-GOSISDBHSA-N 2 2 346.519 3.254 10 0 EGAELP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734104609 1437890934 /nfs/dbraw/zinc/89/09/34/1437890934.db2.gz WBZRZKPPTRAVAX-GOSISDBHSA-N 2 2 346.519 3.254 10 0 EGAELP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001734500628 1438134618 /nfs/dbraw/zinc/13/46/18/1438134618.db2.gz KNYAFNAWAKXVSS-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001750936194 1440115279 /nfs/dbraw/zinc/11/52/79/1440115279.db2.gz WQMAFHOKYQBGHX-HGFKVBKKSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001750936194 1440115280 /nfs/dbraw/zinc/11/52/80/1440115280.db2.gz WQMAFHOKYQBGHX-HGFKVBKKSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001750936194 1440115281 /nfs/dbraw/zinc/11/52/81/1440115281.db2.gz WQMAFHOKYQBGHX-HGFKVBKKSA-N 2 2 346.519 3.258 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001750936194 1440115282 /nfs/dbraw/zinc/11/52/82/1440115282.db2.gz WQMAFHOKYQBGHX-HGFKVBKKSA-N 2 2 346.519 3.258 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001750945823 1440118472 /nfs/dbraw/zinc/11/84/72/1440118472.db2.gz WABNIUHWDKZZQF-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001750945823 1440118473 /nfs/dbraw/zinc/11/84/73/1440118473.db2.gz WABNIUHWDKZZQF-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368231788 168327975 /nfs/dbraw/zinc/32/79/75/168327975.db2.gz YOQZRSHMKQCDIT-INIZCTEOSA-N 2 2 333.439 3.220 10 0 EGAELP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368231788 168327977 /nfs/dbraw/zinc/32/79/77/168327977.db2.gz YOQZRSHMKQCDIT-INIZCTEOSA-N 2 2 333.439 3.220 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000368475165 168361209 /nfs/dbraw/zinc/36/12/09/168361209.db2.gz RDMULOUOXJMRPA-UHFFFAOYSA-N 2 2 349.438 3.014 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000229517673 201042597 /nfs/dbraw/zinc/04/25/97/201042597.db2.gz JJQSTGXXXHJGQI-LNLFQRSKSA-N 2 2 340.471 3.128 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000229517673 201042601 /nfs/dbraw/zinc/04/26/01/201042601.db2.gz JJQSTGXXXHJGQI-LNLFQRSKSA-N 2 2 340.471 3.128 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000269058904 201230890 /nfs/dbraw/zinc/23/08/90/201230890.db2.gz ZYONQZKGZNYHHJ-YLJYHZDGSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000269058904 201230892 /nfs/dbraw/zinc/23/08/92/201230892.db2.gz ZYONQZKGZNYHHJ-YLJYHZDGSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000269058902 201231274 /nfs/dbraw/zinc/23/12/74/201231274.db2.gz ZYONQZKGZNYHHJ-XLIONFOSSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000269058902 201231277 /nfs/dbraw/zinc/23/12/77/201231277.db2.gz ZYONQZKGZNYHHJ-XLIONFOSSA-N 2 2 326.488 3.464 10 0 EGAELP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000245618265 243137124 /nfs/dbraw/zinc/13/71/24/243137124.db2.gz NDEUJFIHISXSNE-GJZGRUSLSA-N 2 2 343.427 3.265 10 0 EGAELP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000245618265 243137128 /nfs/dbraw/zinc/13/71/28/243137128.db2.gz NDEUJFIHISXSNE-GJZGRUSLSA-N 2 2 343.427 3.265 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000247099084 243375201 /nfs/dbraw/zinc/37/52/01/243375201.db2.gz IDXBUGZDGJIXLM-WBVHZDCISA-N 2 2 326.444 3.110 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000247099084 243375208 /nfs/dbraw/zinc/37/52/08/243375208.db2.gz IDXBUGZDGJIXLM-WBVHZDCISA-N 2 2 326.444 3.110 10 0 EGAELP CC[NH+](CC)C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000076000994 203330480 /nfs/dbraw/zinc/33/04/80/203330480.db2.gz HPGKFMFEHBDKGS-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268834786 252283602 /nfs/dbraw/zinc/28/36/02/252283602.db2.gz GIIOCEGBXQBGFG-YLJYHZDGSA-N 3 2 326.488 3.082 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268834786 252283604 /nfs/dbraw/zinc/28/36/04/252283604.db2.gz GIIOCEGBXQBGFG-YLJYHZDGSA-N 3 2 326.488 3.082 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358741519 285030058 /nfs/dbraw/zinc/03/00/58/285030058.db2.gz DTGXNBOOFRGSPY-QAPCUYQASA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358741519 285030064 /nfs/dbraw/zinc/03/00/64/285030064.db2.gz DTGXNBOOFRGSPY-QAPCUYQASA-N 2 2 326.431 3.362 10 0 EGAELP Cc1ccn2c(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cnc2c1 ZINC000328641589 258023515 /nfs/dbraw/zinc/02/35/15/258023515.db2.gz QPVGMBPKSSMIBW-RXVVDRJESA-N 2 2 349.482 3.163 10 0 EGAELP Cc1ccn2c(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cnc2c1 ZINC000328641589 258023517 /nfs/dbraw/zinc/02/35/17/258023517.db2.gz QPVGMBPKSSMIBW-RXVVDRJESA-N 2 2 349.482 3.163 10 0 EGAELP Cc1ccn2c(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cnc2c1 ZINC000328641589 258023519 /nfs/dbraw/zinc/02/35/19/258023519.db2.gz QPVGMBPKSSMIBW-RXVVDRJESA-N 2 2 349.482 3.163 10 0 EGAELP Cc1ccn2c(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cnc2c1 ZINC000328641589 258023521 /nfs/dbraw/zinc/02/35/21/258023521.db2.gz QPVGMBPKSSMIBW-RXVVDRJESA-N 2 2 349.482 3.163 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCO1 ZINC000328628806 258031022 /nfs/dbraw/zinc/03/10/22/258031022.db2.gz HNZMPDICPZDEDQ-JWBIFMHMSA-N 2 2 329.419 3.315 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccc3)[C@H](C)C2)s1 ZINC000328587895 258045362 /nfs/dbraw/zinc/04/53/62/258045362.db2.gz IKCHMIHMERJZCH-BEFAXECRSA-N 2 2 329.513 3.494 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCc3ccccc3)[C@H](C)C2)s1 ZINC000328587895 258045363 /nfs/dbraw/zinc/04/53/63/258045363.db2.gz IKCHMIHMERJZCH-BEFAXECRSA-N 2 2 329.513 3.494 10 0 EGAELP c1cn(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246882174 141041169 /nfs/dbraw/zinc/04/11/69/141041169.db2.gz QOXISOMZVDXPSQ-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246882174 141041172 /nfs/dbraw/zinc/04/11/72/141041172.db2.gz QOXISOMZVDXPSQ-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246882174 141041174 /nfs/dbraw/zinc/04/11/74/141041174.db2.gz QOXISOMZVDXPSQ-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246882174 141041176 /nfs/dbraw/zinc/04/11/76/141041176.db2.gz QOXISOMZVDXPSQ-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255779 141145063 /nfs/dbraw/zinc/14/50/63/141145063.db2.gz QZCLNQNUCNVBDC-YOEHRIQHSA-N 2 2 347.409 3.293 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255779 141145066 /nfs/dbraw/zinc/14/50/66/141145066.db2.gz QZCLNQNUCNVBDC-YOEHRIQHSA-N 2 2 347.409 3.293 10 0 EGAELP c1cn(Cc2ccccc2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000171386708 144002743 /nfs/dbraw/zinc/00/27/43/144002743.db2.gz MGNJAHTYMRNRQG-UHFFFAOYSA-N 2 2 338.499 3.239 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875552 144053229 /nfs/dbraw/zinc/05/32/29/144053229.db2.gz WWKMXHALAWIBDS-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875552 144053231 /nfs/dbraw/zinc/05/32/31/144053231.db2.gz WWKMXHALAWIBDS-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174896056 144054100 /nfs/dbraw/zinc/05/41/00/144054100.db2.gz DKIBHIOROAXFPX-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186550619 144136875 /nfs/dbraw/zinc/13/68/75/144136875.db2.gz OFQAFHAIVCBKIE-MRXNPFEDSA-N 2 2 337.423 3.231 10 0 EGAELP c1c[nH+]c([C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000195135316 153382236 /nfs/dbraw/zinc/38/22/36/153382236.db2.gz ZHNCIVDFVWTQCM-ICSRJNTNSA-N 2 2 347.466 3.006 10 0 EGAELP c1c[nH+]c([C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000195135316 153382242 /nfs/dbraw/zinc/38/22/42/153382242.db2.gz ZHNCIVDFVWTQCM-ICSRJNTNSA-N 2 2 347.466 3.006 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453709 154361669 /nfs/dbraw/zinc/36/16/69/154361669.db2.gz VPCKWFKRXDUUNC-IEBWSBKVSA-N 2 2 331.504 3.340 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453709 154361674 /nfs/dbraw/zinc/36/16/74/154361674.db2.gz VPCKWFKRXDUUNC-IEBWSBKVSA-N 2 2 331.504 3.340 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337567653 154420337 /nfs/dbraw/zinc/42/03/37/154420337.db2.gz RFJCFELXDKJYBE-JKSUJKDBSA-N 2 2 346.519 3.092 10 0 EGAELP CC(C)[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1 ZINC000346946546 156209008 /nfs/dbraw/zinc/20/90/08/156209008.db2.gz NWBMSYQXXXJREN-QUCCMNQESA-N 2 2 339.487 3.426 10 0 EGAELP Oc1ccc2c(c1)OCC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000348864879 156266005 /nfs/dbraw/zinc/26/60/05/156266005.db2.gz CIDQRCXIERLPPG-UHFFFAOYSA-N 2 2 327.409 3.034 10 0 EGAELP Oc1ccc2c(c1)OCC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000348864879 156266008 /nfs/dbraw/zinc/26/60/08/156266008.db2.gz CIDQRCXIERLPPG-UHFFFAOYSA-N 2 2 327.409 3.034 10 0 EGAELP Cc1[nH+]c2ccccc2c(NCc2ccnc(-n3cc[nH+]c3)c2)c1C ZINC000378056559 157460090 /nfs/dbraw/zinc/46/00/90/157460090.db2.gz YJJRHKZDXIVGDU-UHFFFAOYSA-N 2 2 329.407 3.466 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644228 162021472 /nfs/dbraw/zinc/02/14/72/162021472.db2.gz CFDSASLERKTXGS-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644228 162021474 /nfs/dbraw/zinc/02/14/74/162021474.db2.gz CFDSASLERKTXGS-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644228 162021476 /nfs/dbraw/zinc/02/14/76/162021476.db2.gz CFDSASLERKTXGS-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644228 162021479 /nfs/dbraw/zinc/02/14/79/162021479.db2.gz CFDSASLERKTXGS-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000338803984 163353450 /nfs/dbraw/zinc/35/34/50/163353450.db2.gz DXFQBMHGBXRKKO-KRWDZBQOSA-N 2 2 349.523 3.055 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c[nH+]1 ZINC000343657061 164005469 /nfs/dbraw/zinc/00/54/69/164005469.db2.gz KIKVVDTVOSCPQS-FXAWDEMLSA-N 2 2 337.467 3.102 10 0 EGAELP C[C@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)Cn1cc[nH+]c1 ZINC000343814158 164041048 /nfs/dbraw/zinc/04/10/48/164041048.db2.gz SPUGIHBLCVCKOW-CYBMUJFWSA-N 2 2 327.350 3.250 10 0 EGAELP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344129764 164110377 /nfs/dbraw/zinc/11/03/77/164110377.db2.gz OSHDJLLNQSLDST-WOJBJXKFSA-N 2 2 349.563 3.221 10 0 EGAELP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344129764 164110379 /nfs/dbraw/zinc/11/03/79/164110379.db2.gz OSHDJLLNQSLDST-WOJBJXKFSA-N 2 2 349.563 3.221 10 0 EGAELP CCn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2cc(F)ccc21 ZINC000345693553 164244755 /nfs/dbraw/zinc/24/47/55/164244755.db2.gz JOZSCJUEJMRAOW-UHFFFAOYSA-N 2 2 327.407 3.298 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346307244 164367081 /nfs/dbraw/zinc/36/70/81/164367081.db2.gz DJEAPGNBWGCIQS-OAQYLSRUSA-N 2 2 348.450 3.019 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000346307244 164367083 /nfs/dbraw/zinc/36/70/83/164367083.db2.gz DJEAPGNBWGCIQS-OAQYLSRUSA-N 2 2 348.450 3.019 10 0 EGAELP COCc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352081903 165225043 /nfs/dbraw/zinc/22/50/43/165225043.db2.gz HWCUTFVBXHMGCM-DOTOQJQBSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352081903 165225046 /nfs/dbraw/zinc/22/50/46/165225046.db2.gz HWCUTFVBXHMGCM-DOTOQJQBSA-N 2 2 345.512 3.290 10 0 EGAELP Cc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000352417502 165390069 /nfs/dbraw/zinc/39/00/69/165390069.db2.gz PZKDEONHXHGKNM-HZPDHXFCSA-N 2 2 339.487 3.049 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2n1C ZINC000366379050 168113171 /nfs/dbraw/zinc/11/31/71/168113171.db2.gz UBVZDNDFZGBBIM-UYAOXDASSA-N 2 2 348.450 3.057 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2n1C ZINC000366379050 168113174 /nfs/dbraw/zinc/11/31/74/168113174.db2.gz UBVZDNDFZGBBIM-UYAOXDASSA-N 2 2 348.450 3.057 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367596978 168247345 /nfs/dbraw/zinc/24/73/45/168247345.db2.gz KWTTZJGBLHTDJF-LMMKCTJWSA-N 3 2 326.488 3.197 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367596978 168247347 /nfs/dbraw/zinc/24/73/47/168247347.db2.gz KWTTZJGBLHTDJF-LMMKCTJWSA-N 3 2 326.488 3.197 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262522 /nfs/dbraw/zinc/26/25/22/266262522.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262523 /nfs/dbraw/zinc/26/25/23/266262523.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262525 /nfs/dbraw/zinc/26/25/25/266262525.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262527 /nfs/dbraw/zinc/26/25/27/266262527.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP Cn1c2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2[nH+]c1C1CC1 ZINC000273244481 267003878 /nfs/dbraw/zinc/00/38/78/267003878.db2.gz UWDCWIJLQDHQQW-UHFFFAOYSA-N 2 2 326.444 3.121 10 0 EGAELP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361023193 275556922 /nfs/dbraw/zinc/55/69/22/275556922.db2.gz LIPVOJYXNYTEHK-ZWKOTPCHSA-N 2 2 346.519 3.273 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289467431 276343783 /nfs/dbraw/zinc/34/37/83/276343783.db2.gz YSSSDFJRCQZHEB-WRFKIARRSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289467431 276343784 /nfs/dbraw/zinc/34/37/84/276343784.db2.gz YSSSDFJRCQZHEB-WRFKIARRSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000289485584 276346235 /nfs/dbraw/zinc/34/62/35/276346235.db2.gz YLTIURUOYYHOLR-UGKGYDQZSA-N 2 2 349.478 3.001 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000289485584 276346237 /nfs/dbraw/zinc/34/62/37/276346237.db2.gz YLTIURUOYYHOLR-UGKGYDQZSA-N 2 2 349.478 3.001 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@H]1c1ccccc1 ZINC000289485581 276346259 /nfs/dbraw/zinc/34/62/59/276346259.db2.gz YLTIURUOYYHOLR-SIKLNZKXSA-N 2 2 349.478 3.001 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@H]1c1ccccc1 ZINC000289485581 276346261 /nfs/dbraw/zinc/34/62/61/276346261.db2.gz YLTIURUOYYHOLR-SIKLNZKXSA-N 2 2 349.478 3.001 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414357074 309075025 /nfs/dbraw/zinc/07/50/25/309075025.db2.gz BBTGKDKLPLLRDW-SBHAEUEKSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414357074 309075026 /nfs/dbraw/zinc/07/50/26/309075026.db2.gz BBTGKDKLPLLRDW-SBHAEUEKSA-N 3 2 338.499 3.458 10 0 EGAELP [NH3+][C@@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000414830302 309104256 /nfs/dbraw/zinc/10/42/56/309104256.db2.gz LVJZILNASABOOA-INIZCTEOSA-N 2 2 347.256 3.174 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)c[nH+]2)C[C@H](C)O1 ZINC000301863584 308718879 /nfs/dbraw/zinc/71/88/79/308718879.db2.gz GPAPCJDWZAWKQO-OKILXGFUSA-N 2 2 337.427 3.184 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414848536 309105259 /nfs/dbraw/zinc/10/52/59/309105259.db2.gz WGRVEPUQNDLSDX-UHFFFAOYSA-N 2 2 327.266 3.209 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415295158 309130159 /nfs/dbraw/zinc/13/01/59/309130159.db2.gz PUNDACKPZAASMK-KGLIPLIRSA-N 2 2 329.448 3.207 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000419284797 309262912 /nfs/dbraw/zinc/26/29/12/309262912.db2.gz CZNLYOYXBKBWGQ-CQSZACIVSA-N 2 2 333.451 3.068 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420391495 309285877 /nfs/dbraw/zinc/28/58/77/309285877.db2.gz ILKIQCGAGQLQSE-YJBOKZPZSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420391495 309285878 /nfs/dbraw/zinc/28/58/78/309285878.db2.gz ILKIQCGAGQLQSE-YJBOKZPZSA-N 2 2 342.512 3.273 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422735909 309365833 /nfs/dbraw/zinc/36/58/33/309365833.db2.gz FNNAZHHMVBXOKT-ZWOKBUDYSA-N 3 2 338.499 3.335 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422735909 309365834 /nfs/dbraw/zinc/36/58/34/309365834.db2.gz FNNAZHHMVBXOKT-ZWOKBUDYSA-N 3 2 338.499 3.335 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422756140 309366836 /nfs/dbraw/zinc/36/68/36/309366836.db2.gz GIWPDQVKDJCOHM-PMACEKPBSA-N 2 2 328.431 3.460 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422819471 309370224 /nfs/dbraw/zinc/37/02/24/309370224.db2.gz IIVSPFUDCUHYIV-JXXFODFXSA-N 2 2 325.456 3.166 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422888864 309374412 /nfs/dbraw/zinc/37/44/12/309374412.db2.gz DUIIYRXSGDWKCQ-KUHUBIRLSA-N 2 2 341.430 3.166 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(O)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422986161 309379679 /nfs/dbraw/zinc/37/96/79/309379679.db2.gz GNWDUBNIQCAPKR-WOJBJXKFSA-N 2 2 326.440 3.026 10 0 EGAELP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422992206 309379837 /nfs/dbraw/zinc/37/98/37/309379837.db2.gz CFWDQJBOXGXPSF-IZBJGVDFSA-N 2 2 332.488 3.042 10 0 EGAELP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)c2ccccc21 ZINC000422990591 309379904 /nfs/dbraw/zinc/37/99/04/309379904.db2.gz NUSQXMCBNWIIMW-IXDOHACOSA-N 2 2 347.256 3.217 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423061199 309383822 /nfs/dbraw/zinc/38/38/22/309383822.db2.gz KCFCAWCFWVFNQG-RISCZKNCSA-N 2 2 327.266 3.078 10 0 EGAELP Clc1cccc(CC2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000423170387 309389034 /nfs/dbraw/zinc/38/90/34/309389034.db2.gz LTVLRIBDKADJHK-ZWKOTPCHSA-N 2 2 334.891 3.019 10 0 EGAELP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnn(C2CCCC2)c1 ZINC000423187863 309389719 /nfs/dbraw/zinc/38/97/19/309389719.db2.gz NEKBFFZLXIKILD-INIZCTEOSA-N 2 2 327.476 3.224 10 0 EGAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000423224026 309391208 /nfs/dbraw/zinc/39/12/08/309391208.db2.gz BIHBYGYKMXTCJO-GOSISDBHSA-N 2 2 326.444 3.063 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224353 309391245 /nfs/dbraw/zinc/39/12/45/309391245.db2.gz BYNSZLZTZXVHJR-HZPDHXFCSA-N 2 2 340.471 3.104 10 0 EGAELP CC(C)Oc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423232526 309391550 /nfs/dbraw/zinc/39/15/50/309391550.db2.gz MYGZGUMOUSQCMX-MRXNPFEDSA-N 2 2 340.471 3.452 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423353975 309396793 /nfs/dbraw/zinc/39/67/93/309396793.db2.gz CISAZSFVAPETSN-NKZPBKNFSA-N 2 2 327.241 3.163 10 0 EGAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829251 309968906 /nfs/dbraw/zinc/96/89/06/309968906.db2.gz FRCCDMORJMLXSV-RKVPGOIHSA-N 2 2 330.451 3.491 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000449076752 310035126 /nfs/dbraw/zinc/03/51/26/310035126.db2.gz XVYBVVYTKWWRMA-SFHVURJKSA-N 3 2 341.543 3.298 10 0 EGAELP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000449234798 310046478 /nfs/dbraw/zinc/04/64/78/310046478.db2.gz RGPCILQAJNXREW-FGTMMUONSA-N 2 2 346.519 3.106 10 0 EGAELP COc1cc2ccccc2cc1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000449239957 310046851 /nfs/dbraw/zinc/04/68/51/310046851.db2.gz XDSGHLKMJQTYGT-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP COc1ccc(C2CCC([NH2+][C@@H]3CCC[N@H+](CCCO)C3)CC2)cc1 ZINC000449396522 310058537 /nfs/dbraw/zinc/05/85/37/310058537.db2.gz LUKMSJBIOZCBGO-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+][C@@H]3CCC[N@@H+](CCCO)C3)CC2)cc1 ZINC000449396522 310058538 /nfs/dbraw/zinc/05/85/38/310058538.db2.gz LUKMSJBIOZCBGO-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000449489056 310066336 /nfs/dbraw/zinc/06/63/36/310066336.db2.gz NWHTYXIPPQSYCK-PKOBYXMFSA-N 2 2 334.479 3.253 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449489056 310066337 /nfs/dbraw/zinc/06/63/37/310066337.db2.gz NWHTYXIPPQSYCK-PKOBYXMFSA-N 2 2 334.479 3.253 10 0 EGAELP CCC[C@@H](O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450570989 310130700 /nfs/dbraw/zinc/13/07/00/310130700.db2.gz QSGWLBKBGJGBPM-GOSISDBHSA-N 2 2 348.535 3.360 10 0 EGAELP CCC[C@@H](O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450570989 310130701 /nfs/dbraw/zinc/13/07/01/310130701.db2.gz QSGWLBKBGJGBPM-GOSISDBHSA-N 2 2 348.535 3.360 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452358251 310224597 /nfs/dbraw/zinc/22/45/97/310224597.db2.gz SSEVQEDNYUYFKU-CYBMUJFWSA-N 2 2 328.460 3.406 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452606874 310234401 /nfs/dbraw/zinc/23/44/01/310234401.db2.gz RBNJWLXTEJXQFY-QGZVFWFLSA-N 2 2 346.862 3.016 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452606874 310234402 /nfs/dbraw/zinc/23/44/02/310234402.db2.gz RBNJWLXTEJXQFY-QGZVFWFLSA-N 2 2 346.862 3.016 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058490 310254844 /nfs/dbraw/zinc/25/48/44/310254844.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058490 310254845 /nfs/dbraw/zinc/25/48/45/310254845.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058490 310254846 /nfs/dbraw/zinc/25/48/46/310254846.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058490 310254847 /nfs/dbraw/zinc/25/48/47/310254847.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058490 310254848 /nfs/dbraw/zinc/25/48/48/310254848.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058490 310254849 /nfs/dbraw/zinc/25/48/49/310254849.db2.gz KUHPVZLJSWTTHL-HNAYVOBHSA-N 2 2 345.466 3.277 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@@H](C)C2(OC)CCOCC2)[NH+](C)C)cc1 ZINC000453064494 310255499 /nfs/dbraw/zinc/25/54/99/310255499.db2.gz WOTOSOFYOZRJOW-LPHOPBHVSA-N 2 2 334.504 3.025 10 0 EGAELP CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000453611041 310284279 /nfs/dbraw/zinc/28/42/79/310284279.db2.gz KISOZMRVILEFNS-UHFFFAOYSA-N 2 2 329.473 3.326 10 0 EGAELP CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000453611041 310284280 /nfs/dbraw/zinc/28/42/80/310284280.db2.gz KISOZMRVILEFNS-UHFFFAOYSA-N 2 2 329.473 3.326 10 0 EGAELP COC[C@@H](CC(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475343704 310811280 /nfs/dbraw/zinc/81/12/80/310811280.db2.gz ROSAQZYQBAOYOP-HWOWSKLDSA-N 2 2 336.442 3.442 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](CC(C)C)C(=O)OC ZINC000509656765 312122587 /nfs/dbraw/zinc/12/25/87/312122587.db2.gz HVAKCOUWIVPWQH-GOSISDBHSA-N 2 2 347.503 3.208 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](CC(C)C)C(=O)OC ZINC000509656765 312122589 /nfs/dbraw/zinc/12/25/89/312122589.db2.gz HVAKCOUWIVPWQH-GOSISDBHSA-N 2 2 347.503 3.208 10 0 EGAELP CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515716846 312295009 /nfs/dbraw/zinc/29/50/09/312295009.db2.gz VIWDFVPHIXCTPC-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515716846 312295012 /nfs/dbraw/zinc/29/50/12/312295012.db2.gz VIWDFVPHIXCTPC-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP Cc1c[nH+]cn1CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000528117092 313018976 /nfs/dbraw/zinc/01/89/76/313018976.db2.gz QSZPOERIYKVTTC-UHFFFAOYSA-N 2 2 335.411 3.030 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381888 313078932 /nfs/dbraw/zinc/07/89/32/313078932.db2.gz OJAUHPAMQNCHDW-FUHWJXTLSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381888 313078934 /nfs/dbraw/zinc/07/89/34/313078934.db2.gz OJAUHPAMQNCHDW-FUHWJXTLSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381888 313078937 /nfs/dbraw/zinc/07/89/37/313078937.db2.gz OJAUHPAMQNCHDW-FUHWJXTLSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381888 313078939 /nfs/dbraw/zinc/07/89/39/313078939.db2.gz OJAUHPAMQNCHDW-FUHWJXTLSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381900 313079659 /nfs/dbraw/zinc/07/96/59/313079659.db2.gz OJAUHPAMQNCHDW-SJLPKXTDSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381900 313079662 /nfs/dbraw/zinc/07/96/62/313079662.db2.gz OJAUHPAMQNCHDW-SJLPKXTDSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381900 313079663 /nfs/dbraw/zinc/07/96/63/313079663.db2.gz OJAUHPAMQNCHDW-SJLPKXTDSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381900 313079666 /nfs/dbraw/zinc/07/96/66/313079666.db2.gz OJAUHPAMQNCHDW-SJLPKXTDSA-N 2 2 334.479 3.404 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569257 313358087 /nfs/dbraw/zinc/35/80/87/313358087.db2.gz MOBVNUGZQWEDRC-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569257 313358092 /nfs/dbraw/zinc/35/80/92/313358092.db2.gz MOBVNUGZQWEDRC-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569257 313358094 /nfs/dbraw/zinc/35/80/94/313358094.db2.gz MOBVNUGZQWEDRC-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569257 313358098 /nfs/dbraw/zinc/35/80/98/313358098.db2.gz MOBVNUGZQWEDRC-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP COc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000093644016 454726368 /nfs/dbraw/zinc/72/63/68/454726368.db2.gz MVGVNAGURPADMF-WDEREUQCSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000093644016 454726373 /nfs/dbraw/zinc/72/63/73/454726373.db2.gz MVGVNAGURPADMF-WDEREUQCSA-N 2 2 347.322 3.434 10 0 EGAELP COc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000093644016 454726378 /nfs/dbraw/zinc/72/63/78/454726378.db2.gz MVGVNAGURPADMF-WDEREUQCSA-N 2 2 347.322 3.434 10 0 EGAELP Cc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)no1 ZINC000563800320 316070758 /nfs/dbraw/zinc/07/07/58/316070758.db2.gz QUYXLVHRDUTUBA-KRWDZBQOSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000565088456 316263700 /nfs/dbraw/zinc/26/37/00/316263700.db2.gz XZPBAWUZOYIOGT-NRFANRHFSA-N 2 2 349.482 3.100 10 0 EGAELP Cc1cc(C)n2c(C[NH2+][C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cnc2n1 ZINC000565088456 316263704 /nfs/dbraw/zinc/26/37/04/316263704.db2.gz XZPBAWUZOYIOGT-NRFANRHFSA-N 2 2 349.482 3.100 10 0 EGAELP Cc1[nH+]ccc(NCc2cc(-n3cc[nH+]c3)cs2)c1Br ZINC000565868799 316380401 /nfs/dbraw/zinc/38/04/01/316380401.db2.gz FWNTYDMPUQWVSR-UHFFFAOYSA-N 2 2 349.257 3.434 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151279667 454962617 /nfs/dbraw/zinc/96/26/17/454962617.db2.gz LPCZHHNUHOURHO-HIFRSBDPSA-N 2 2 326.481 3.045 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000298200217 456389362 /nfs/dbraw/zinc/38/93/62/456389362.db2.gz XUQKQDUACMWJMU-OAHLLOKOSA-N 2 2 348.288 3.290 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000298200217 456389367 /nfs/dbraw/zinc/38/93/67/456389367.db2.gz XUQKQDUACMWJMU-OAHLLOKOSA-N 2 2 348.288 3.290 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000183292477 323605294 /nfs/dbraw/zinc/60/52/94/323605294.db2.gz ALORNMLDGLOVKL-OLZOCXBDSA-N 2 2 347.413 3.116 10 0 EGAELP c1cn(-c2cccc(-c3noc(Cn4c[nH+]c5c4CCCC5)n3)c2)c[nH+]1 ZINC000350051260 324052301 /nfs/dbraw/zinc/05/23/01/324052301.db2.gz PYMCAJXNQOKJEN-UHFFFAOYSA-N 2 2 346.394 3.046 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000350756447 324117466 /nfs/dbraw/zinc/11/74/66/324117466.db2.gz KRACDPAJUCBOHT-ZIAGYGMSSA-N 2 2 339.443 3.343 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081708 325200905 /nfs/dbraw/zinc/20/09/05/325200905.db2.gz XYYSJHWHXSIAAK-HKUYNNGSSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081708 325200907 /nfs/dbraw/zinc/20/09/07/325200907.db2.gz XYYSJHWHXSIAAK-HKUYNNGSSA-N 2 2 340.471 3.005 10 0 EGAELP CC(C)CC[C@@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000580424186 325248769 /nfs/dbraw/zinc/24/87/69/325248769.db2.gz XFPBNUQJPPSWST-UYSNPLJNSA-N 2 2 336.442 3.178 10 0 EGAELP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893138 455250583 /nfs/dbraw/zinc/25/05/83/455250583.db2.gz QVVQWMZVNWTGCA-KRWDZBQOSA-N 2 2 348.450 3.182 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180948463 455268138 /nfs/dbraw/zinc/26/81/38/455268138.db2.gz MGYCWWPHGDVQJT-FZMZJTMJSA-N 2 2 327.266 3.030 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180948463 455268139 /nfs/dbraw/zinc/26/81/39/455268139.db2.gz MGYCWWPHGDVQJT-FZMZJTMJSA-N 2 2 327.266 3.030 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822779 460573625 /nfs/dbraw/zinc/57/36/25/460573625.db2.gz OIKGIKYZPLJFQC-APWZRJJASA-N 2 2 341.455 3.314 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822779 460573628 /nfs/dbraw/zinc/57/36/28/460573628.db2.gz OIKGIKYZPLJFQC-APWZRJJASA-N 2 2 341.455 3.314 10 0 EGAELP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842492 460579415 /nfs/dbraw/zinc/57/94/15/460579415.db2.gz BDARPHKHBSEWFW-HZPDHXFCSA-N 2 2 331.504 3.399 10 0 EGAELP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842492 460579420 /nfs/dbraw/zinc/57/94/20/460579420.db2.gz BDARPHKHBSEWFW-HZPDHXFCSA-N 2 2 331.504 3.399 10 0 EGAELP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886435 460588991 /nfs/dbraw/zinc/58/89/91/460588991.db2.gz HBWVXWPBBZWPMM-ZBFHGGJFSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886435 460588997 /nfs/dbraw/zinc/58/89/97/460588997.db2.gz HBWVXWPBBZWPMM-ZBFHGGJFSA-N 2 2 346.862 3.006 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887356 460589286 /nfs/dbraw/zinc/58/92/86/460589286.db2.gz QQJDZCVHGGPVJK-NQIIRXRSSA-N 2 2 349.478 3.366 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000631887356 460589292 /nfs/dbraw/zinc/58/92/92/460589292.db2.gz QQJDZCVHGGPVJK-NQIIRXRSSA-N 2 2 349.478 3.366 10 0 EGAELP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC1CC1 ZINC000623511511 460589342 /nfs/dbraw/zinc/58/93/42/460589342.db2.gz RQUCTLOSEWEENG-UHFFFAOYSA-N 2 2 330.472 3.343 10 0 EGAELP CCc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068695374 454045533 /nfs/dbraw/zinc/04/55/33/454045533.db2.gz QDPQEJIDWPRZQA-UHFFFAOYSA-N 2 2 334.427 3.208 10 0 EGAELP COCc1nc(C[NH2+]C[C@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cs1 ZINC000089725171 454184136 /nfs/dbraw/zinc/18/41/36/454184136.db2.gz OUWYBDRUTBEZGL-CYBMUJFWSA-N 2 2 348.516 3.451 10 0 EGAELP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3F)CC2)[C@@H]2CCO[C@@H]21 ZINC000095987817 454252775 /nfs/dbraw/zinc/25/27/75/454252775.db2.gz VLYVFGPRZNYDGQ-UHOSZYNNSA-N 2 2 332.463 3.193 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000090533270 454317782 /nfs/dbraw/zinc/31/77/82/454317782.db2.gz GRDHIWOFTLXPQG-WDYCEAGBSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000090533270 454317783 /nfs/dbraw/zinc/31/77/83/454317783.db2.gz GRDHIWOFTLXPQG-WDYCEAGBSA-N 2 2 326.488 3.292 10 0 EGAELP c1cn(C2CCCC2)nc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090572754 454322608 /nfs/dbraw/zinc/32/26/08/454322608.db2.gz HUGDCBARPGEFHQ-UHFFFAOYSA-N 2 2 339.487 3.147 10 0 EGAELP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C(F)(F)F)n1 ZINC000090666580 454333958 /nfs/dbraw/zinc/33/39/58/454333958.db2.gz CNMRGJLOGCEKND-UHFFFAOYSA-N 2 2 344.425 3.326 10 0 EGAELP COc1cccc2cc(C[NH2+]CCc3cn4c([nH+]3)CCCC4)oc21 ZINC000097731803 454445464 /nfs/dbraw/zinc/44/54/64/454445464.db2.gz PZRSELLEMUJVCX-UHFFFAOYSA-N 2 2 325.412 3.307 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000623614399 460641137 /nfs/dbraw/zinc/64/11/37/460641137.db2.gz CQTJUFJKHLXSQV-HXUWFJFHSA-N 3 2 345.531 3.124 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000623614399 460641148 /nfs/dbraw/zinc/64/11/48/460641148.db2.gz CQTJUFJKHLXSQV-HXUWFJFHSA-N 3 2 345.531 3.124 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[N@@H+]1C ZINC000091675608 454455594 /nfs/dbraw/zinc/45/55/94/454455594.db2.gz HSGBTSMWCCYMDF-COXVUDFISA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[N@H+]1C ZINC000091675608 454455598 /nfs/dbraw/zinc/45/55/98/454455598.db2.gz HSGBTSMWCCYMDF-COXVUDFISA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[NH+]1C ZINC000091675608 454455601 /nfs/dbraw/zinc/45/56/01/454455601.db2.gz HSGBTSMWCCYMDF-COXVUDFISA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[NH+]1C ZINC000091675608 454455606 /nfs/dbraw/zinc/45/56/06/454455606.db2.gz HSGBTSMWCCYMDF-COXVUDFISA-N 2 2 335.879 3.248 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000122084575 454507544 /nfs/dbraw/zinc/50/75/44/454507544.db2.gz PMJXCBOPYJJNMU-HNNXBMFYSA-N 2 2 327.403 3.228 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000122841726 454573994 /nfs/dbraw/zinc/57/39/94/454573994.db2.gz JQFKLGODLSOVBF-ZDUSSCGKSA-N 2 2 335.883 3.232 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000122841726 454573999 /nfs/dbraw/zinc/57/39/99/454573999.db2.gz JQFKLGODLSOVBF-ZDUSSCGKSA-N 2 2 335.883 3.232 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812394 454638850 /nfs/dbraw/zinc/63/88/50/454638850.db2.gz DBDGQBJGLOSWDA-HNNXBMFYSA-N 2 2 345.516 3.318 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812394 454638852 /nfs/dbraw/zinc/63/88/52/454638852.db2.gz DBDGQBJGLOSWDA-HNNXBMFYSA-N 2 2 345.516 3.318 10 0 EGAELP Cc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)nc2ccccc12 ZINC000105876430 454662207 /nfs/dbraw/zinc/66/22/07/454662207.db2.gz LEDCXTJZVANQEV-UHFFFAOYSA-N 2 2 335.455 3.126 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000105896629 454666599 /nfs/dbraw/zinc/66/65/99/454666599.db2.gz LCWUQBBINJYJSJ-LSDHHAIUSA-N 2 2 346.500 3.021 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000105896629 454666602 /nfs/dbraw/zinc/66/66/02/454666602.db2.gz LCWUQBBINJYJSJ-LSDHHAIUSA-N 2 2 346.500 3.021 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123802073 454676450 /nfs/dbraw/zinc/67/64/50/454676450.db2.gz MFYGQVXGZGAFOW-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000123802073 454676460 /nfs/dbraw/zinc/67/64/60/454676460.db2.gz MFYGQVXGZGAFOW-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123802073 454676466 /nfs/dbraw/zinc/67/64/66/454676466.db2.gz MFYGQVXGZGAFOW-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123802073 454676470 /nfs/dbraw/zinc/67/64/70/454676470.db2.gz MFYGQVXGZGAFOW-WFASDCNBSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123801830 454677084 /nfs/dbraw/zinc/67/70/84/454677084.db2.gz MFYGQVXGZGAFOW-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000123801830 454677087 /nfs/dbraw/zinc/67/70/87/454677087.db2.gz MFYGQVXGZGAFOW-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801830 454677089 /nfs/dbraw/zinc/67/70/89/454677089.db2.gz MFYGQVXGZGAFOW-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000123801830 454677091 /nfs/dbraw/zinc/67/70/91/454677091.db2.gz MFYGQVXGZGAFOW-DOMZBBRYSA-N 2 2 343.393 3.058 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095328 454685229 /nfs/dbraw/zinc/68/52/29/454685229.db2.gz XJIGHMYUESPVSR-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095328 454685233 /nfs/dbraw/zinc/68/52/33/454685233.db2.gz XJIGHMYUESPVSR-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095328 454685235 /nfs/dbraw/zinc/68/52/35/454685235.db2.gz XJIGHMYUESPVSR-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095328 454685239 /nfs/dbraw/zinc/68/52/39/454685239.db2.gz XJIGHMYUESPVSR-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000136090128 454719442 /nfs/dbraw/zinc/71/94/42/454719442.db2.gz IUPBWFKWFMTWNB-GUYCJALGSA-N 2 2 347.846 3.486 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000136090128 454719445 /nfs/dbraw/zinc/71/94/45/454719445.db2.gz IUPBWFKWFMTWNB-GUYCJALGSA-N 2 2 347.846 3.486 10 0 EGAELP COc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000093644016 454726362 /nfs/dbraw/zinc/72/63/62/454726362.db2.gz MVGVNAGURPADMF-WDEREUQCSA-N 2 2 347.322 3.434 10 0 EGAELP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151264143 454960505 /nfs/dbraw/zinc/96/05/05/454960505.db2.gz PDFMJEXARJJRPU-HIFRSBDPSA-N 2 2 325.522 3.072 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000151267745 454961448 /nfs/dbraw/zinc/96/14/48/454961448.db2.gz VVXCOHLZHJCWQK-OCCSQVGLSA-N 2 2 331.287 3.491 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000151316318 454967972 /nfs/dbraw/zinc/96/79/72/454967972.db2.gz JKPIWFVVRXPSBP-ZBFHGGJFSA-N 2 2 342.430 3.176 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180125956 455136439 /nfs/dbraw/zinc/13/64/39/455136439.db2.gz OSDQTEWTORAXKS-KRWDZBQOSA-N 2 2 329.444 3.263 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180139165 455138585 /nfs/dbraw/zinc/13/85/85/455138585.db2.gz SCJZRPRWJCJLTQ-INIZCTEOSA-N 2 2 329.492 3.314 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000156663481 455142364 /nfs/dbraw/zinc/14/23/64/455142364.db2.gz SZYNUYXDYYKIAZ-QGZVFWFLSA-N 2 2 341.455 3.426 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000156663481 455142366 /nfs/dbraw/zinc/14/23/66/455142366.db2.gz SZYNUYXDYYKIAZ-QGZVFWFLSA-N 2 2 341.455 3.426 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)cc(F)c2)nc[nH+]1 ZINC000180575157 455201163 /nfs/dbraw/zinc/20/11/63/455201163.db2.gz MNBVOOACFUCTLM-MLGOLLRUSA-N 2 2 347.413 3.116 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1nccs1 ZINC000180645241 455216932 /nfs/dbraw/zinc/21/69/32/455216932.db2.gz BTMYYKSUGXXOBR-CHWSQXEVSA-N 2 2 341.440 3.007 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299398 455294463 /nfs/dbraw/zinc/29/44/63/455294463.db2.gz JBUHXKIVWGLWKL-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299398 455294469 /nfs/dbraw/zinc/29/44/69/455294469.db2.gz JBUHXKIVWGLWKL-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299398 455294474 /nfs/dbraw/zinc/29/44/74/455294474.db2.gz JBUHXKIVWGLWKL-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@H](C)C1 ZINC000190299398 455294479 /nfs/dbraw/zinc/29/44/79/455294479.db2.gz JBUHXKIVWGLWKL-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CCCn1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000190466642 455323683 /nfs/dbraw/zinc/32/36/83/455323683.db2.gz IHGPQKUPSRVFQK-MRXNPFEDSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000190466642 455323686 /nfs/dbraw/zinc/32/36/86/455323686.db2.gz IHGPQKUPSRVFQK-MRXNPFEDSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cn1 ZINC000190466642 455323688 /nfs/dbraw/zinc/32/36/88/455323688.db2.gz IHGPQKUPSRVFQK-MRXNPFEDSA-N 2 2 347.532 3.012 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000190466642 455323693 /nfs/dbraw/zinc/32/36/93/455323693.db2.gz IHGPQKUPSRVFQK-MRXNPFEDSA-N 2 2 347.532 3.012 10 0 EGAELP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471896 455325435 /nfs/dbraw/zinc/32/54/35/455325435.db2.gz WBWQYAPCYXEMEA-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471896 455325441 /nfs/dbraw/zinc/32/54/41/455325441.db2.gz WBWQYAPCYXEMEA-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471896 455325444 /nfs/dbraw/zinc/32/54/44/455325444.db2.gz WBWQYAPCYXEMEA-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471896 455325449 /nfs/dbraw/zinc/32/54/49/455325449.db2.gz WBWQYAPCYXEMEA-HXUWFJFHSA-N 2 2 339.483 3.434 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1F ZINC000190486152 455330293 /nfs/dbraw/zinc/33/02/93/455330293.db2.gz HBBRIADWDFMYFB-LJQANCHMSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1F ZINC000190486152 455330295 /nfs/dbraw/zinc/33/02/95/455330295.db2.gz HBBRIADWDFMYFB-LJQANCHMSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)ccc1F ZINC000190486152 455330300 /nfs/dbraw/zinc/33/03/00/455330300.db2.gz HBBRIADWDFMYFB-LJQANCHMSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)ccc1F ZINC000190486152 455330304 /nfs/dbraw/zinc/33/03/04/455330304.db2.gz HBBRIADWDFMYFB-LJQANCHMSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245746128 455372094 /nfs/dbraw/zinc/37/20/94/455372094.db2.gz YBSLUXCIRPFRAV-BBRMVZONSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245746128 455372098 /nfs/dbraw/zinc/37/20/98/455372098.db2.gz YBSLUXCIRPFRAV-BBRMVZONSA-N 2 2 346.862 3.367 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000174285999 455376826 /nfs/dbraw/zinc/37/68/26/455376826.db2.gz HKGSJKPHCPDQPV-RDJZCZTQSA-N 2 2 325.460 3.146 10 0 EGAELP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCCO[C@H]21 ZINC000245883114 455391439 /nfs/dbraw/zinc/39/14/39/455391439.db2.gz LETQGQMQXKGYCB-IPMKNSEASA-N 2 2 325.456 3.225 10 0 EGAELP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000181948386 455403084 /nfs/dbraw/zinc/40/30/84/455403084.db2.gz NHPOSPYAWFULOQ-HNNXBMFYSA-N 2 2 338.455 3.360 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C(C)(C)C ZINC000191139551 455450175 /nfs/dbraw/zinc/45/01/75/455450175.db2.gz FQPAGFQCHQAEBS-OAGGEKHMSA-N 2 2 336.524 3.096 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266780039 455451931 /nfs/dbraw/zinc/45/19/31/455451931.db2.gz UVTAVSADRUHRMW-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000246465295 455494086 /nfs/dbraw/zinc/49/40/86/455494086.db2.gz OFUPTOZWVRLHRY-DOTOQJQBSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c(C)nc2s1 ZINC000246465295 455494091 /nfs/dbraw/zinc/49/40/91/455494091.db2.gz OFUPTOZWVRLHRY-DOTOQJQBSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c(C)nc2s1 ZINC000246465295 455494097 /nfs/dbraw/zinc/49/40/97/455494097.db2.gz OFUPTOZWVRLHRY-DOTOQJQBSA-N 2 2 344.528 3.461 10 0 EGAELP Cc1cn2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(C)nc2s1 ZINC000246465295 455494100 /nfs/dbraw/zinc/49/41/00/455494100.db2.gz OFUPTOZWVRLHRY-DOTOQJQBSA-N 2 2 344.528 3.461 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246491028 455499858 /nfs/dbraw/zinc/49/98/58/455499858.db2.gz PFFLJKBNIKXQCR-QFBILLFUSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246491028 455499863 /nfs/dbraw/zinc/49/98/63/455499863.db2.gz PFFLJKBNIKXQCR-QFBILLFUSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246491028 455499867 /nfs/dbraw/zinc/49/98/67/455499867.db2.gz PFFLJKBNIKXQCR-QFBILLFUSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246491028 455499872 /nfs/dbraw/zinc/49/98/72/455499872.db2.gz PFFLJKBNIKXQCR-QFBILLFUSA-N 2 2 340.471 3.001 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247028127 455546768 /nfs/dbraw/zinc/54/67/68/455546768.db2.gz UUJAMNNYLQIBEH-YJBOKZPZSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247028127 455546772 /nfs/dbraw/zinc/54/67/72/455546772.db2.gz UUJAMNNYLQIBEH-YJBOKZPZSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247028127 455546777 /nfs/dbraw/zinc/54/67/77/455546777.db2.gz UUJAMNNYLQIBEH-YJBOKZPZSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247028127 455546781 /nfs/dbraw/zinc/54/67/81/455546781.db2.gz UUJAMNNYLQIBEH-YJBOKZPZSA-N 2 2 331.504 3.164 10 0 EGAELP C[C@H](c1cc(F)ccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182609834 455552483 /nfs/dbraw/zinc/55/24/83/455552483.db2.gz XDOZCMRWYQDWBI-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1cc(F)ccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182609834 455552486 /nfs/dbraw/zinc/55/24/86/455552486.db2.gz XDOZCMRWYQDWBI-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119093 455561773 /nfs/dbraw/zinc/56/17/73/455561773.db2.gz AJMKMMKJQHKWJU-CZUORRHYSA-N 2 2 346.862 3.306 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119093 455561777 /nfs/dbraw/zinc/56/17/77/455561777.db2.gz AJMKMMKJQHKWJU-CZUORRHYSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119093 455561779 /nfs/dbraw/zinc/56/17/79/455561779.db2.gz AJMKMMKJQHKWJU-CZUORRHYSA-N 2 2 346.862 3.306 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247119093 455561780 /nfs/dbraw/zinc/56/17/80/455561780.db2.gz AJMKMMKJQHKWJU-CZUORRHYSA-N 2 2 346.862 3.306 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)o2)cc1 ZINC000247975794 455662756 /nfs/dbraw/zinc/66/27/56/455662756.db2.gz HUNGMBUNWZDZLI-FUHWJXTLSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)o2)cc1 ZINC000247975794 455662763 /nfs/dbraw/zinc/66/27/63/455662763.db2.gz HUNGMBUNWZDZLI-FUHWJXTLSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000247975794 455662765 /nfs/dbraw/zinc/66/27/65/455662765.db2.gz HUNGMBUNWZDZLI-FUHWJXTLSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)o2)cc1 ZINC000247975794 455662772 /nfs/dbraw/zinc/66/27/72/455662772.db2.gz HUNGMBUNWZDZLI-FUHWJXTLSA-N 2 2 341.455 3.266 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1C(C)C ZINC000193604041 455766872 /nfs/dbraw/zinc/76/68/72/455766872.db2.gz CTIMFRZYKAHKOA-CALCHBBNSA-N 2 2 340.467 3.218 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1C(C)C ZINC000193604041 455766879 /nfs/dbraw/zinc/76/68/79/455766879.db2.gz CTIMFRZYKAHKOA-CALCHBBNSA-N 2 2 340.467 3.218 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2cc1C(C)C ZINC000193604041 455766882 /nfs/dbraw/zinc/76/68/82/455766882.db2.gz CTIMFRZYKAHKOA-CALCHBBNSA-N 2 2 340.467 3.218 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2cc1C(C)C ZINC000193604041 455766888 /nfs/dbraw/zinc/76/68/88/455766888.db2.gz CTIMFRZYKAHKOA-CALCHBBNSA-N 2 2 340.467 3.218 10 0 EGAELP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000250125536 455785644 /nfs/dbraw/zinc/78/56/44/455785644.db2.gz WBZRGKPOKBLMTM-PWRODBHTSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000250125536 455785651 /nfs/dbraw/zinc/78/56/51/455785651.db2.gz WBZRGKPOKBLMTM-PWRODBHTSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261561600 455908700 /nfs/dbraw/zinc/90/87/00/455908700.db2.gz FZTNYRNJAQEFJK-PXNSSMCTSA-N 2 2 340.467 3.122 10 0 EGAELP O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606582596 460701616 /nfs/dbraw/zinc/70/16/16/460701616.db2.gz WCVTZXVMBTUBRE-UHFFFAOYSA-N 2 2 329.448 3.112 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000296636691 455996095 /nfs/dbraw/zinc/99/60/95/455996095.db2.gz XUCWYQJLOWEERC-NNZMDNLPSA-N 2 2 339.487 3.213 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000296636691 455996099 /nfs/dbraw/zinc/99/60/99/455996099.db2.gz XUCWYQJLOWEERC-NNZMDNLPSA-N 2 2 339.487 3.213 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000270695845 456017288 /nfs/dbraw/zinc/01/72/88/456017288.db2.gz HCYFMFDANSXNHH-LSDHHAIUSA-N 2 2 329.354 3.093 10 0 EGAELP C[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000270695845 456017295 /nfs/dbraw/zinc/01/72/95/456017295.db2.gz HCYFMFDANSXNHH-LSDHHAIUSA-N 2 2 329.354 3.093 10 0 EGAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262632310 456048658 /nfs/dbraw/zinc/04/86/58/456048658.db2.gz HHBZJKTYVUVZGU-CXAGYDPISA-N 2 2 326.444 3.198 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CCCC[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000333109735 456162744 /nfs/dbraw/zinc/16/27/44/456162744.db2.gz GEASMSQHYLVPMI-HZPDHXFCSA-N 2 2 345.491 3.032 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272738 456185256 /nfs/dbraw/zinc/18/52/56/456185256.db2.gz YPBPGOYVKXSZCH-SJLPKXTDSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272738 456185261 /nfs/dbraw/zinc/18/52/61/456185261.db2.gz YPBPGOYVKXSZCH-SJLPKXTDSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272738 456185268 /nfs/dbraw/zinc/18/52/68/456185268.db2.gz YPBPGOYVKXSZCH-SJLPKXTDSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272738 456185276 /nfs/dbraw/zinc/18/52/76/456185276.db2.gz YPBPGOYVKXSZCH-SJLPKXTDSA-N 2 2 342.487 3.043 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000236950478 456207416 /nfs/dbraw/zinc/20/74/16/456207416.db2.gz UFNDASLVUCNAFY-HOTGVXAUSA-N 2 2 326.444 3.416 10 0 EGAELP c1c[nH+]c([C@@H](NC2CC[NH+](CC3CCCC3)CC2)c2ccncc2)[nH]1 ZINC000189097241 456225786 /nfs/dbraw/zinc/22/57/86/456225786.db2.gz MVTTZVGBOJCVMN-IBGZPJMESA-N 2 2 339.487 3.138 10 0 EGAELP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)oc1C ZINC000302145303 456299608 /nfs/dbraw/zinc/29/96/08/456299608.db2.gz HKPGDGBMERCCCM-UHFFFAOYSA-N 2 2 336.439 3.470 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297827117 456303515 /nfs/dbraw/zinc/30/35/15/456303515.db2.gz ZLEDINLJRCVADR-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297827117 456303518 /nfs/dbraw/zinc/30/35/18/456303518.db2.gz ZLEDINLJRCVADR-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297827117 456303520 /nfs/dbraw/zinc/30/35/20/456303520.db2.gz ZLEDINLJRCVADR-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297827117 456303526 /nfs/dbraw/zinc/30/35/26/456303526.db2.gz ZLEDINLJRCVADR-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040595 456396328 /nfs/dbraw/zinc/39/63/28/456396328.db2.gz LLOJTLGKJFJRQZ-UYAOXDASSA-N 2 2 339.483 3.002 10 0 EGAELP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040595 456396336 /nfs/dbraw/zinc/39/63/36/456396336.db2.gz LLOJTLGKJFJRQZ-UYAOXDASSA-N 2 2 339.483 3.002 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000302817645 456408811 /nfs/dbraw/zinc/40/88/11/456408811.db2.gz IVIKZKNIVKRYEU-XLIONFOSSA-N 2 2 337.471 3.324 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000302817645 456408819 /nfs/dbraw/zinc/40/88/19/456408819.db2.gz IVIKZKNIVKRYEU-XLIONFOSSA-N 2 2 337.471 3.324 10 0 EGAELP CCCCc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282118197 456417652 /nfs/dbraw/zinc/41/76/52/456417652.db2.gz QKMMVCGHCZPFCT-OAHLLOKOSA-N 2 2 343.475 3.325 10 0 EGAELP CCCCc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282118197 456417657 /nfs/dbraw/zinc/41/76/57/456417657.db2.gz QKMMVCGHCZPFCT-OAHLLOKOSA-N 2 2 343.475 3.325 10 0 EGAELP C[C@H]([NH2+]CCCCC1(C)OCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298557698 456491028 /nfs/dbraw/zinc/49/10/28/456491028.db2.gz VPVFCTZEWRQLSW-INIZCTEOSA-N 2 2 329.444 3.456 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282682227 456591023 /nfs/dbraw/zinc/59/10/23/456591023.db2.gz IJOYNOICIYZDEJ-MRXNPFEDSA-N 2 2 341.455 3.313 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282682227 456591029 /nfs/dbraw/zinc/59/10/29/456591029.db2.gz IJOYNOICIYZDEJ-MRXNPFEDSA-N 2 2 341.455 3.313 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468192 456642193 /nfs/dbraw/zinc/64/21/93/456642193.db2.gz DTTWKNSWTZMUBC-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000343468192 456642201 /nfs/dbraw/zinc/64/22/01/456642201.db2.gz DTTWKNSWTZMUBC-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113001 456644592 /nfs/dbraw/zinc/64/45/92/456644592.db2.gz PFVSOFPEFMCRIJ-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113001 456644599 /nfs/dbraw/zinc/64/45/99/456644599.db2.gz PFVSOFPEFMCRIJ-HOCLYGCPSA-N 2 2 336.863 3.075 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000324603182 456670218 /nfs/dbraw/zinc/67/02/18/456670218.db2.gz IGRBWXANSBQMKD-DOTOQJQBSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000324603182 456670220 /nfs/dbraw/zinc/67/02/20/456670220.db2.gz IGRBWXANSBQMKD-DOTOQJQBSA-N 2 2 326.444 3.009 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000338173048 456683516 /nfs/dbraw/zinc/68/35/16/456683516.db2.gz HHSBGKLOENMCDW-UHFFFAOYSA-N 2 2 342.487 3.311 10 0 EGAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000343561664 456706516 /nfs/dbraw/zinc/70/65/16/456706516.db2.gz FCDFPNGHKLXEFE-UHFFFAOYSA-N 2 2 335.879 3.086 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511493 456725283 /nfs/dbraw/zinc/72/52/83/456725283.db2.gz BOSZYFOUBABWIG-MWTRTKDXSA-N 2 2 331.485 3.020 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511493 456725292 /nfs/dbraw/zinc/72/52/92/456725292.db2.gz BOSZYFOUBABWIG-MWTRTKDXSA-N 2 2 331.485 3.020 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299739549 456778707 /nfs/dbraw/zinc/77/87/07/456778707.db2.gz PYCFKZLVQXOUGH-OAHLLOKOSA-N 2 2 340.471 3.384 10 0 EGAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299739549 456778722 /nfs/dbraw/zinc/77/87/22/456778722.db2.gz PYCFKZLVQXOUGH-OAHLLOKOSA-N 2 2 340.471 3.384 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353630795 456815474 /nfs/dbraw/zinc/81/54/74/456815474.db2.gz NUNPEVNTAUVDEY-TZMCWYRMSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353630795 456815478 /nfs/dbraw/zinc/81/54/78/456815478.db2.gz NUNPEVNTAUVDEY-TZMCWYRMSA-N 2 2 332.245 3.307 10 0 EGAELP CCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000339012960 456900309 /nfs/dbraw/zinc/90/03/09/456900309.db2.gz YHOLULHOGAQXDC-UHFFFAOYSA-N 2 2 340.471 3.140 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000349563167 456987922 /nfs/dbraw/zinc/98/79/22/456987922.db2.gz GXVWGZJOEWXPLS-OXJNMPFZSA-N 2 2 335.455 3.048 10 0 EGAELP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000359917272 457146944 /nfs/dbraw/zinc/14/69/44/457146944.db2.gz RTHKRZQIBOABLN-MRXNPFEDSA-N 2 2 339.439 3.254 10 0 EGAELP CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000359917272 457146946 /nfs/dbraw/zinc/14/69/46/457146946.db2.gz RTHKRZQIBOABLN-MRXNPFEDSA-N 2 2 339.439 3.254 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991700 457191256 /nfs/dbraw/zinc/19/12/56/457191256.db2.gz HPZQPLGKAODIQB-RRFJBIMHSA-N 2 2 345.878 3.198 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991700 457191260 /nfs/dbraw/zinc/19/12/60/457191260.db2.gz HPZQPLGKAODIQB-RRFJBIMHSA-N 2 2 345.878 3.198 10 0 EGAELP Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000360028212 457211409 /nfs/dbraw/zinc/21/14/09/457211409.db2.gz RTZQHWPVAZOSLV-UHFFFAOYSA-N 2 2 327.428 3.254 10 0 EGAELP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000360099755 457256093 /nfs/dbraw/zinc/25/60/93/457256093.db2.gz VEKJPUKGZQMJKV-UHFFFAOYSA-N 2 2 331.464 3.228 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352115948 457339123 /nfs/dbraw/zinc/33/91/23/457339123.db2.gz QFRWHDJZWGAVBZ-QGZVFWFLSA-N 2 2 340.870 3.056 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352115948 457339127 /nfs/dbraw/zinc/33/91/27/457339127.db2.gz QFRWHDJZWGAVBZ-QGZVFWFLSA-N 2 2 340.870 3.056 10 0 EGAELP CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000360916850 457431049 /nfs/dbraw/zinc/43/10/49/457431049.db2.gz BFBHOCOWHQBDIW-OXQOHEQNSA-N 2 2 348.450 3.400 10 0 EGAELP CC[NH+](CC)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000360965651 457472339 /nfs/dbraw/zinc/47/23/39/457472339.db2.gz HTYQNBZHSZTDCF-UHFFFAOYSA-N 2 2 331.508 3.025 10 0 EGAELP CC[NH+](CC)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000360965651 457472341 /nfs/dbraw/zinc/47/23/41/457472341.db2.gz HTYQNBZHSZTDCF-UHFFFAOYSA-N 2 2 331.508 3.025 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044506 457493646 /nfs/dbraw/zinc/49/36/46/457493646.db2.gz AWYZSGDUXFAQAM-SLYNCCJLSA-N 2 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044506 457493658 /nfs/dbraw/zinc/49/36/58/457493658.db2.gz AWYZSGDUXFAQAM-SLYNCCJLSA-N 2 2 327.516 3.256 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008123 457508332 /nfs/dbraw/zinc/50/83/32/457508332.db2.gz JUTGCIPLWBWTHZ-IEBWSBKVSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008123 457508345 /nfs/dbraw/zinc/50/83/45/457508345.db2.gz JUTGCIPLWBWTHZ-IEBWSBKVSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008127 457508435 /nfs/dbraw/zinc/50/84/35/457508435.db2.gz JUTGCIPLWBWTHZ-PKOBYXMFSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008127 457508442 /nfs/dbraw/zinc/50/84/42/457508442.db2.gz JUTGCIPLWBWTHZ-PKOBYXMFSA-N 2 2 332.488 3.218 10 0 EGAELP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361023192 457517708 /nfs/dbraw/zinc/51/77/08/457517708.db2.gz LIPVOJYXNYTEHK-ROUUACIJSA-N 2 2 346.519 3.273 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209279 457523548 /nfs/dbraw/zinc/52/35/48/457523548.db2.gz PKQQEGFKAILKLK-AWEZNQCLSA-N 2 2 342.443 3.015 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037709 457532279 /nfs/dbraw/zinc/53/22/79/457532279.db2.gz NPCUKKLJAVNFCC-IEBWSBKVSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037709 457532287 /nfs/dbraw/zinc/53/22/87/457532287.db2.gz NPCUKKLJAVNFCC-IEBWSBKVSA-N 2 2 332.488 3.218 10 0 EGAELP FC(F)Oc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000342806388 457537163 /nfs/dbraw/zinc/53/71/63/457537163.db2.gz QHCYRLJTPVOOOP-KRWDZBQOSA-N 2 2 347.409 3.437 10 0 EGAELP FC(F)Oc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000342806388 457537167 /nfs/dbraw/zinc/53/71/67/457537167.db2.gz QHCYRLJTPVOOOP-KRWDZBQOSA-N 2 2 347.409 3.437 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC4CCC3CC4)c2cc1C ZINC000433064709 457656940 /nfs/dbraw/zinc/65/69/40/457656940.db2.gz CBWGYTKVNBHKPQ-OPQOLIRYSA-N 2 2 327.472 3.182 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCSC[C@@H]1CCO ZINC000361319707 457691331 /nfs/dbraw/zinc/69/13/31/457691331.db2.gz WKZSUVYQEFFJRO-KRWDZBQOSA-N 2 2 347.528 3.315 10 0 EGAELP CC(=O)N1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000361319745 457691446 /nfs/dbraw/zinc/69/14/46/457691446.db2.gz WVOQGAOTZOFACC-INIZCTEOSA-N 2 2 342.487 3.068 10 0 EGAELP CC(=O)N1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000361319745 457691448 /nfs/dbraw/zinc/69/14/48/457691448.db2.gz WVOQGAOTZOFACC-INIZCTEOSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)Cc1nccn1C ZINC000361326677 457693775 /nfs/dbraw/zinc/69/37/75/457693775.db2.gz ZQZUOKDKKHVOAV-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)Cc1nccn1C ZINC000361326677 457693778 /nfs/dbraw/zinc/69/37/78/457693778.db2.gz ZQZUOKDKKHVOAV-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000361328504 457694716 /nfs/dbraw/zinc/69/47/16/457694716.db2.gz MRLOGTRBWMTIGF-WNSKOXEYSA-N 2 2 335.517 3.214 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000361328504 457694720 /nfs/dbraw/zinc/69/47/20/457694720.db2.gz MRLOGTRBWMTIGF-WNSKOXEYSA-N 2 2 335.517 3.214 10 0 EGAELP CCN1CCC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CC1=O ZINC000361398007 457718048 /nfs/dbraw/zinc/71/80/48/457718048.db2.gz ZYBSSWMGLRJJFJ-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP CCN1CCC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CC1=O ZINC000361398007 457718049 /nfs/dbraw/zinc/71/80/49/457718049.db2.gz ZYBSSWMGLRJJFJ-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP CC(C)c1occc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000365417069 457759605 /nfs/dbraw/zinc/75/96/05/457759605.db2.gz MTYWRAOZHALIMT-UHFFFAOYSA-N 2 2 347.503 3.083 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1NC(C)=O ZINC000375268741 457857917 /nfs/dbraw/zinc/85/79/17/457857917.db2.gz OHOHVEYVSHAKSB-CYBMUJFWSA-N 2 2 342.443 3.037 10 0 EGAELP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358222957 457870263 /nfs/dbraw/zinc/87/02/63/457870263.db2.gz IRSJGHBHAWJMAK-OAHLLOKOSA-N 2 2 333.439 3.433 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000358350063 457950991 /nfs/dbraw/zinc/95/09/91/457950991.db2.gz FGAVMUXGZUBDCN-WEZQJLTASA-N 2 2 333.907 3.158 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000358350063 457950999 /nfs/dbraw/zinc/95/09/99/457950999.db2.gz FGAVMUXGZUBDCN-WEZQJLTASA-N 2 2 333.907 3.158 10 0 EGAELP CC(C)([C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000361980380 457989853 /nfs/dbraw/zinc/98/98/53/457989853.db2.gz ARWRZCLPZHTQOM-GOSISDBHSA-N 2 2 348.441 3.367 10 0 EGAELP Cc1ccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cn1 ZINC000371733065 458052894 /nfs/dbraw/zinc/05/28/94/458052894.db2.gz KIMPSYWILYREAZ-UHFFFAOYSA-N 2 2 333.439 3.350 10 0 EGAELP CCCOc1ccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434982959 458073362 /nfs/dbraw/zinc/07/33/62/458073362.db2.gz SJGSQWPWPIFFSA-UHFFFAOYSA-N 2 2 329.444 3.457 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539479 458307879 /nfs/dbraw/zinc/30/78/79/458307879.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000447539479 458307880 /nfs/dbraw/zinc/30/78/80/458307880.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539479 458307882 /nfs/dbraw/zinc/30/78/82/458307882.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000447539479 458307884 /nfs/dbraw/zinc/30/78/84/458307884.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 3 2 327.516 3.254 10 0 EGAELP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000447563728 458311457 /nfs/dbraw/zinc/31/14/57/458311457.db2.gz RXJSQIHIHLDDAV-LBPRGKRZSA-N 2 2 334.391 3.118 10 0 EGAELP [NH3+]C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512113 458446918 /nfs/dbraw/zinc/44/69/18/458446918.db2.gz UODMSAMUIJMLPS-PLACYPQZSA-N 3 2 327.516 3.289 10 0 EGAELP [NH3+]C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512113 458446922 /nfs/dbraw/zinc/44/69/22/458446922.db2.gz UODMSAMUIJMLPS-PLACYPQZSA-N 3 2 327.516 3.289 10 0 EGAELP Cc1ncccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373480796 458505415 /nfs/dbraw/zinc/50/54/15/458505415.db2.gz CQQFABMNZUZXQN-UHFFFAOYSA-N 2 2 327.394 3.285 10 0 EGAELP CCCCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000377776096 458522669 /nfs/dbraw/zinc/52/26/69/458522669.db2.gz JJTOPVZXEWGADU-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CCCCOc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000377776096 458522677 /nfs/dbraw/zinc/52/26/77/458522677.db2.gz JJTOPVZXEWGADU-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000424173459 458577656 /nfs/dbraw/zinc/57/76/56/458577656.db2.gz DTFBYNBQWDDULW-UHFFFAOYSA-N 2 2 336.867 3.154 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000424173459 458577658 /nfs/dbraw/zinc/57/76/58/458577658.db2.gz DTFBYNBQWDDULW-UHFFFAOYSA-N 2 2 336.867 3.154 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)C[C@H]2C1 ZINC000424346726 458622918 /nfs/dbraw/zinc/62/29/18/458622918.db2.gz JVLJSTGMTVRIAY-QCZBUENISA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)C[C@H]2C1 ZINC000424346726 458622922 /nfs/dbraw/zinc/62/29/22/458622922.db2.gz JVLJSTGMTVRIAY-QCZBUENISA-N 2 2 328.500 3.443 10 0 EGAELP Cc1ccsc1[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463188907 458680512 /nfs/dbraw/zinc/68/05/12/458680512.db2.gz FUMZJUAMSUZXRG-LJQANCHMSA-N 2 2 344.524 3.387 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OCC(F)(F)F ZINC000530243981 458729229 /nfs/dbraw/zinc/72/92/29/458729229.db2.gz JWKJERIXRNNYPE-OAHLLOKOSA-N 2 2 344.377 3.011 10 0 EGAELP Clc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000530243935 458729422 /nfs/dbraw/zinc/72/94/22/458729422.db2.gz IVFHKUURQRNDOB-ZDUSSCGKSA-N 2 2 329.669 3.477 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183569 458847584 /nfs/dbraw/zinc/84/75/84/458847584.db2.gz HXUOYPCEIZYGMC-YFVAEKQCSA-N 2 2 339.527 3.256 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183569 458847590 /nfs/dbraw/zinc/84/75/90/458847590.db2.gz HXUOYPCEIZYGMC-YFVAEKQCSA-N 2 2 339.527 3.256 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271363 458873043 /nfs/dbraw/zinc/87/30/43/458873043.db2.gz XQODDAASYAXXPZ-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271363 458873047 /nfs/dbraw/zinc/87/30/47/458873047.db2.gz XQODDAASYAXXPZ-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271363 458873050 /nfs/dbraw/zinc/87/30/50/458873050.db2.gz XQODDAASYAXXPZ-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)[C@H](C)C1 ZINC000474271363 458873053 /nfs/dbraw/zinc/87/30/53/458873053.db2.gz XQODDAASYAXXPZ-IEBWSBKVSA-N 2 2 326.488 3.343 10 0 EGAELP CCCCNC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441384924 458932788 /nfs/dbraw/zinc/93/27/88/458932788.db2.gz RECUWVHFJMIKHZ-HKUYNNGSSA-N 2 2 342.487 3.136 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(OC(F)F)c1 ZINC000532246493 459054084 /nfs/dbraw/zinc/05/40/84/459054084.db2.gz PDWPATSFVCVUHK-WFASDCNBSA-N 2 2 328.403 3.117 10 0 EGAELP CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(OC(F)F)c1 ZINC000532246493 459054087 /nfs/dbraw/zinc/05/40/87/459054087.db2.gz PDWPATSFVCVUHK-WFASDCNBSA-N 2 2 328.403 3.117 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000595007134 459212761 /nfs/dbraw/zinc/21/27/61/459212761.db2.gz JQLCCYXNFCNSGT-CQSZACIVSA-N 2 2 331.460 3.453 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595023171 459219220 /nfs/dbraw/zinc/21/92/20/459219220.db2.gz SSVFFQRXSZARCR-LSDHHAIUSA-N 2 2 325.497 3.288 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3ccccc3n2)[C@@H](C)C1 ZINC000559892014 459283769 /nfs/dbraw/zinc/28/37/69/459283769.db2.gz ATPORMWTLPMEHA-BZSNNMDCSA-N 2 2 344.503 3.122 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3ccccc3n2)[C@@H](C)C1 ZINC000559892014 459283773 /nfs/dbraw/zinc/28/37/73/459283773.db2.gz ATPORMWTLPMEHA-BZSNNMDCSA-N 2 2 344.503 3.122 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081921 459309711 /nfs/dbraw/zinc/30/97/11/459309711.db2.gz BPYFNYCRBVBHJW-CRAIPNDOSA-N 2 2 326.444 3.110 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081921 459309716 /nfs/dbraw/zinc/30/97/16/459309716.db2.gz BPYFNYCRBVBHJW-CRAIPNDOSA-N 2 2 326.444 3.110 10 0 EGAELP Cc1[nH+]c2cc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)ccc2n1C ZINC000582475475 459371087 /nfs/dbraw/zinc/37/10/87/459371087.db2.gz MSEKJUDWYUIMHP-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP Cc1[nH+]c2cc(NC(=O)CC[N@H+]3CCc4ccccc4C3)ccc2n1C ZINC000582475475 459371089 /nfs/dbraw/zinc/37/10/89/459371089.db2.gz MSEKJUDWYUIMHP-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP Cc1cc(NCCNc2cccc[nH+]2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524843331 459398170 /nfs/dbraw/zinc/39/81/70/459398170.db2.gz GXGCPXLODWDPEF-UHFFFAOYSA-N 2 2 344.365 3.486 10 0 EGAELP C[C@@H]1CCCC[C@@H]1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165003 459422205 /nfs/dbraw/zinc/42/22/05/459422205.db2.gz RPTNJDYITZZNMQ-RTBURBONSA-N 2 2 349.563 3.269 10 0 EGAELP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1 ZINC000591868784 459460163 /nfs/dbraw/zinc/46/01/63/459460163.db2.gz DYNRULIVVLQWQL-MRXNPFEDSA-N 2 2 332.835 3.202 10 0 EGAELP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1 ZINC000591868784 459460168 /nfs/dbraw/zinc/46/01/68/459460168.db2.gz DYNRULIVVLQWQL-MRXNPFEDSA-N 2 2 332.835 3.202 10 0 EGAELP CC[N@H+](CCSC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000592204626 459548956 /nfs/dbraw/zinc/54/89/56/459548956.db2.gz UUJNZFMFJDSRLM-CYBMUJFWSA-N 2 2 332.473 3.089 10 0 EGAELP CC[N@@H+](CCSC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000592204626 459548962 /nfs/dbraw/zinc/54/89/62/459548962.db2.gz UUJNZFMFJDSRLM-CYBMUJFWSA-N 2 2 332.473 3.089 10 0 EGAELP CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000592526777 459626833 /nfs/dbraw/zinc/62/68/33/459626833.db2.gz ZRYUMPAQXFQEJO-UHFFFAOYSA-N 2 2 329.444 3.278 10 0 EGAELP CC(C)C[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000563007990 459693757 /nfs/dbraw/zinc/69/37/57/459693757.db2.gz QRNSKDHBALQKIS-BMFZPTHFSA-N 2 2 332.410 3.265 10 0 EGAELP Brc1sccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000527705018 459708312 /nfs/dbraw/zinc/70/83/12/459708312.db2.gz JNBFXZRQDXYNOH-UHFFFAOYSA-N 2 2 326.263 3.333 10 0 EGAELP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000544007068 459718205 /nfs/dbraw/zinc/71/82/05/459718205.db2.gz ZCDRFUXHIMXFOE-UHFFFAOYSA-N 2 2 346.338 3.458 10 0 EGAELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000544007068 459718208 /nfs/dbraw/zinc/71/82/08/459718208.db2.gz ZCDRFUXHIMXFOE-UHFFFAOYSA-N 2 2 346.338 3.458 10 0 EGAELP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000527792461 459737126 /nfs/dbraw/zinc/73/71/26/459737126.db2.gz AHZZYIJZUKGGST-QFBILLFUSA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000527792461 459737133 /nfs/dbraw/zinc/73/71/33/459737133.db2.gz AHZZYIJZUKGGST-QFBILLFUSA-N 2 2 325.456 3.058 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810192 459746161 /nfs/dbraw/zinc/74/61/61/459746161.db2.gz VCCXGUIZHDQKRT-QFUCXCTJSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810192 459746169 /nfs/dbraw/zinc/74/61/69/459746169.db2.gz VCCXGUIZHDQKRT-QFUCXCTJSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527810192 459746171 /nfs/dbraw/zinc/74/61/71/459746171.db2.gz VCCXGUIZHDQKRT-QFUCXCTJSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527810192 459746179 /nfs/dbraw/zinc/74/61/79/459746179.db2.gz VCCXGUIZHDQKRT-QFUCXCTJSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007068 459795104 /nfs/dbraw/zinc/79/51/04/459795104.db2.gz BEOIICFLJWYLNE-UTKZUKDTSA-N 2 2 343.515 3.191 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007068 459795108 /nfs/dbraw/zinc/79/51/08/459795108.db2.gz BEOIICFLJWYLNE-UTKZUKDTSA-N 2 2 343.515 3.191 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000566150339 459815017 /nfs/dbraw/zinc/81/50/17/459815017.db2.gz ZFFQIUIUZFCFGL-YLJYHZDGSA-N 2 2 338.499 3.005 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000574501593 459827073 /nfs/dbraw/zinc/82/70/73/459827073.db2.gz QVYVAXTWSBVXHQ-HQRMLTQVSA-N 2 2 347.466 3.411 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c1C ZINC000545868480 459864267 /nfs/dbraw/zinc/86/42/67/459864267.db2.gz NYWWAORGYOXJPG-KRWDZBQOSA-N 2 2 329.488 3.262 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c1C ZINC000545868480 459864274 /nfs/dbraw/zinc/86/42/74/459864274.db2.gz NYWWAORGYOXJPG-KRWDZBQOSA-N 2 2 329.488 3.262 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942711 459877174 /nfs/dbraw/zinc/87/71/74/459877174.db2.gz ATTASNHJWWSGAU-QRWLVFNGSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942711 459877179 /nfs/dbraw/zinc/87/71/79/459877179.db2.gz ATTASNHJWWSGAU-QRWLVFNGSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000621719438 460023816 /nfs/dbraw/zinc/02/38/16/460023816.db2.gz NHLLZHWKPBAJQF-WIYYLYMNSA-N 2 2 349.482 3.405 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000621719438 460023825 /nfs/dbraw/zinc/02/38/25/460023825.db2.gz NHLLZHWKPBAJQF-WIYYLYMNSA-N 2 2 349.482 3.405 10 0 EGAELP CC[NH+](CC)CCCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621949400 460130933 /nfs/dbraw/zinc/13/09/33/460130933.db2.gz GBCKIEIPJJLHFF-UHFFFAOYSA-N 2 2 334.508 3.048 10 0 EGAELP CN(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000625983313 460325751 /nfs/dbraw/zinc/32/57/51/460325751.db2.gz LINHOVSTCFWHQG-INIZCTEOSA-N 2 2 341.286 3.473 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454417 460417857 /nfs/dbraw/zinc/41/78/57/460417857.db2.gz IBWHLNDGWDLTGJ-YLJYHZDGSA-N 2 2 346.515 3.249 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454417 460417864 /nfs/dbraw/zinc/41/78/64/460417864.db2.gz IBWHLNDGWDLTGJ-YLJYHZDGSA-N 2 2 346.515 3.249 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)CC1 ZINC000616381803 460542532 /nfs/dbraw/zinc/54/25/32/460542532.db2.gz YYLDCOZNTNRSAY-OAQYLSRUSA-N 2 2 347.547 3.142 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)CC1 ZINC000616381803 460542540 /nfs/dbraw/zinc/54/25/40/460542540.db2.gz YYLDCOZNTNRSAY-OAQYLSRUSA-N 2 2 347.547 3.142 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000629518152 460790922 /nfs/dbraw/zinc/79/09/22/460790922.db2.gz DQOYBHKYZWMLBG-ZLGUVYLKSA-N 2 2 349.478 3.114 10 0 EGAELP [NH3+]C1(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CCOCC1 ZINC000629524767 460796271 /nfs/dbraw/zinc/79/62/71/460796271.db2.gz OUVOJWAHMUBXCT-IBGZPJMESA-N 2 2 337.423 3.015 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629538480 460801331 /nfs/dbraw/zinc/80/13/31/460801331.db2.gz MIHUEGWZPCQLIL-MPGHIAIKSA-N 2 2 332.492 3.351 10 0 EGAELP CC[C@H](C[NH+]1CCCC1)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623976824 460807433 /nfs/dbraw/zinc/80/74/33/460807433.db2.gz XKISNBWYTRHZPR-GOSISDBHSA-N 2 2 337.471 3.283 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629659646 460853398 /nfs/dbraw/zinc/85/33/98/460853398.db2.gz DPMSIXOIARMPAN-SCLBCKFNSA-N 2 2 346.906 3.432 10 0 EGAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nc(C(=O)OC)co1 ZINC000601936014 460950832 /nfs/dbraw/zinc/95/08/32/460950832.db2.gz VJHBLZZJCLIFHP-CQSZACIVSA-N 2 2 345.443 3.154 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1 ZINC000608069626 460976076 /nfs/dbraw/zinc/97/60/76/460976076.db2.gz DGYPVUOFGITVNN-GOSISDBHSA-N 2 2 349.434 3.265 10 0 EGAELP CC(=O)Nc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608071855 460978490 /nfs/dbraw/zinc/97/84/90/460978490.db2.gz KIHIICBAAZUPDH-HXUWFJFHSA-N 2 2 348.450 3.452 10 0 EGAELP Cc1nc(C)c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)o1 ZINC000628255527 461064447 /nfs/dbraw/zinc/06/44/47/461064447.db2.gz PXONGNCFBJSRMJ-UHFFFAOYSA-N 2 2 331.382 3.186 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229909 461129938 /nfs/dbraw/zinc/12/99/38/461129938.db2.gz ZSMYMVPBBFNWOC-MRXNPFEDSA-N 2 2 339.361 3.334 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229909 461129944 /nfs/dbraw/zinc/12/99/44/461129944.db2.gz ZSMYMVPBBFNWOC-MRXNPFEDSA-N 2 2 339.361 3.334 10 0 EGAELP Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000652358431 461152742 /nfs/dbraw/zinc/15/27/42/461152742.db2.gz CQNRQCFZOIVRLO-UHFFFAOYSA-N 2 2 328.416 3.258 10 0 EGAELP Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000652358431 461152749 /nfs/dbraw/zinc/15/27/49/461152749.db2.gz CQNRQCFZOIVRLO-UHFFFAOYSA-N 2 2 328.416 3.258 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000662265965 461153646 /nfs/dbraw/zinc/15/36/46/461153646.db2.gz VBNBCRQJUIBOMK-WFASDCNBSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000662265965 461153652 /nfs/dbraw/zinc/15/36/52/461153652.db2.gz VBNBCRQJUIBOMK-WFASDCNBSA-N 2 2 328.378 3.391 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662282206 461165496 /nfs/dbraw/zinc/16/54/96/461165496.db2.gz NUSJWJSWRCLKKT-HKUYNNGSSA-N 2 2 330.859 3.202 10 0 EGAELP c1ccc(N2CC[C@H](C[N@@H+]3CCCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637995998 461181095 /nfs/dbraw/zinc/18/10/95/461181095.db2.gz KYXBONGTKJJBJC-CTNGQTDRSA-N 2 2 327.516 3.463 10 0 EGAELP c1ccc(N2CC[C@H](C[N@H+]3CCCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637995998 461181103 /nfs/dbraw/zinc/18/11/03/461181103.db2.gz KYXBONGTKJJBJC-CTNGQTDRSA-N 2 2 327.516 3.463 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[N@@H+]1C ZINC000630862636 461375967 /nfs/dbraw/zinc/37/59/67/461375967.db2.gz CPNMLKJCSMIVOM-DZGCQCFKSA-N 2 2 332.835 3.195 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[N@H+]1C ZINC000630862636 461375974 /nfs/dbraw/zinc/37/59/74/461375974.db2.gz CPNMLKJCSMIVOM-DZGCQCFKSA-N 2 2 332.835 3.195 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CCO1 ZINC000668784250 461433359 /nfs/dbraw/zinc/43/33/59/461433359.db2.gz DRZXJLMJKSKWRB-IBGZPJMESA-N 2 2 332.488 3.018 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CCO1 ZINC000668784250 461433368 /nfs/dbraw/zinc/43/33/68/461433368.db2.gz DRZXJLMJKSKWRB-IBGZPJMESA-N 2 2 332.488 3.018 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000642091695 461444154 /nfs/dbraw/zinc/44/41/54/461444154.db2.gz RHTINPIPVIHVBW-QWHCGFSZSA-N 2 2 325.391 3.289 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000642091695 461444162 /nfs/dbraw/zinc/44/41/62/461444162.db2.gz RHTINPIPVIHVBW-QWHCGFSZSA-N 2 2 325.391 3.289 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3ccncc3)C3(CO)CCC3)n2c1 ZINC000668819055 461451932 /nfs/dbraw/zinc/45/19/32/461451932.db2.gz VKPNESBFFFPNBX-LJQANCHMSA-N 2 2 336.439 3.031 10 0 EGAELP CC(C)C[N@H+](C)CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653037067 461470751 /nfs/dbraw/zinc/47/07/51/461470751.db2.gz SUZDYRAZURGGKS-SFHVURJKSA-N 2 2 342.487 3.026 10 0 EGAELP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653037067 461470757 /nfs/dbraw/zinc/47/07/57/461470757.db2.gz SUZDYRAZURGGKS-SFHVURJKSA-N 2 2 342.487 3.026 10 0 EGAELP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1F ZINC000642713481 461559038 /nfs/dbraw/zinc/55/90/38/461559038.db2.gz DPNKDSYWPNSQAZ-UHFFFAOYSA-N 2 2 347.478 3.352 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2csc(C3CC3)n2)[C@H](c2ccccc2)C1 ZINC000647248946 461588435 /nfs/dbraw/zinc/58/84/35/461588435.db2.gz RZEFDJXTUADHAD-AEFFLSMTSA-N 2 2 327.497 3.456 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2csc(C3CC3)n2)[C@H](c2ccccc2)C1 ZINC000647248946 461588444 /nfs/dbraw/zinc/58/84/44/461588444.db2.gz RZEFDJXTUADHAD-AEFFLSMTSA-N 2 2 327.497 3.456 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647286660 461612287 /nfs/dbraw/zinc/61/22/87/461612287.db2.gz JRPVAGYRHWHYJW-MRXNPFEDSA-N 2 2 342.487 3.011 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302053 461623250 /nfs/dbraw/zinc/62/32/50/461623250.db2.gz QTKIZJDONSGWLP-MJGOQNOKSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302053 461623270 /nfs/dbraw/zinc/62/32/70/461623270.db2.gz QTKIZJDONSGWLP-MJGOQNOKSA-N 2 2 338.499 3.392 10 0 EGAELP c1ccc(N2CCC([NH2+]C[C@@H]3CSc4ccccc4O3)CC2)[nH+]c1 ZINC000647314145 461629477 /nfs/dbraw/zinc/62/94/77/461629477.db2.gz ZRJUVODIIXBNKX-MRXNPFEDSA-N 2 2 341.480 3.193 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)Cc3ccn(C(C)C)n3)cn21 ZINC000647364418 461658939 /nfs/dbraw/zinc/65/89/39/461658939.db2.gz ZXKVQRXDFSHCHM-HNNXBMFYSA-N 2 2 325.460 3.183 10 0 EGAELP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480367 461728718 /nfs/dbraw/zinc/72/87/18/461728718.db2.gz KTUAESFGIDRTLA-DLBZAZTESA-N 2 2 326.488 3.410 10 0 EGAELP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480367 461728722 /nfs/dbraw/zinc/72/87/22/461728722.db2.gz KTUAESFGIDRTLA-DLBZAZTESA-N 2 2 326.488 3.410 10 0 EGAELP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647554015 461764100 /nfs/dbraw/zinc/76/41/00/461764100.db2.gz PAAMFXRFBLSQJH-AWEZNQCLSA-N 2 2 327.241 3.353 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000660467609 461797002 /nfs/dbraw/zinc/79/70/02/461797002.db2.gz OFRLSHCEQHYILS-KRWDZBQOSA-N 2 2 342.886 3.302 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000660467609 461797004 /nfs/dbraw/zinc/79/70/04/461797004.db2.gz OFRLSHCEQHYILS-KRWDZBQOSA-N 2 2 342.886 3.302 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899437 461874557 /nfs/dbraw/zinc/87/45/57/461874557.db2.gz KJOWWDFYNBSZDQ-RBUKOAKNSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899437 461874564 /nfs/dbraw/zinc/87/45/64/461874564.db2.gz KJOWWDFYNBSZDQ-RBUKOAKNSA-N 2 2 343.515 3.214 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010069 461939982 /nfs/dbraw/zinc/93/99/82/461939982.db2.gz JPXRJEPJUMQBPH-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010069 461939990 /nfs/dbraw/zinc/93/99/90/461939990.db2.gz JPXRJEPJUMQBPH-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010069 461939994 /nfs/dbraw/zinc/93/99/94/461939994.db2.gz JPXRJEPJUMQBPH-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@@H](C)C1 ZINC000648010069 461939999 /nfs/dbraw/zinc/93/99/99/461939999.db2.gz JPXRJEPJUMQBPH-HKUYNNGSSA-N 2 2 326.488 3.343 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000657332254 462052196 /nfs/dbraw/zinc/05/21/96/462052196.db2.gz ZVDRSWYRDIOZOP-UHFFFAOYSA-N 2 2 337.349 3.038 10 0 EGAELP CCC(CC)c1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)on1 ZINC000657376478 462081185 /nfs/dbraw/zinc/08/11/85/462081185.db2.gz LHSFQCGWCSKVBZ-UHFFFAOYSA-N 2 2 325.416 3.449 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000657417493 462109062 /nfs/dbraw/zinc/10/90/62/462109062.db2.gz NZXJLLPEIIWFFR-SJLPKXTDSA-N 2 2 348.853 3.157 10 0 EGAELP Cc1[nH+]cc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1C ZINC000667501977 462116015 /nfs/dbraw/zinc/11/60/15/462116015.db2.gz QBUVXIIMPVBOKM-CQSZACIVSA-N 2 2 332.879 3.261 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1OC(F)F ZINC000657522976 462165471 /nfs/dbraw/zinc/16/54/71/462165471.db2.gz GJRAHUOKAWBNSM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1OC(F)F ZINC000657522976 462165476 /nfs/dbraw/zinc/16/54/76/462165476.db2.gz GJRAHUOKAWBNSM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657526262 462168568 /nfs/dbraw/zinc/16/85/68/462168568.db2.gz FFTHKXVYBUOSGR-FQEVSTJZSA-N 2 2 329.532 3.156 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H](C)O1 ZINC000648562712 462176538 /nfs/dbraw/zinc/17/65/38/462176538.db2.gz ITQLWVXAXYHZRL-VVRRDRNSSA-N 2 2 334.426 3.337 10 0 EGAELP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657795400 462270483 /nfs/dbraw/zinc/27/04/83/462270483.db2.gz HYCJVUNMJYDZKJ-RDTXWAMCSA-N 2 2 327.453 3.188 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056459 462358636 /nfs/dbraw/zinc/35/86/36/462358636.db2.gz LJJDOVZWHRVAAW-DZGCQCFKSA-N 2 2 336.476 3.236 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1OC ZINC000658056459 462358641 /nfs/dbraw/zinc/35/86/41/462358641.db2.gz LJJDOVZWHRVAAW-DZGCQCFKSA-N 2 2 336.476 3.236 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1OC ZINC000658063609 462363753 /nfs/dbraw/zinc/36/37/53/462363753.db2.gz WDFMTCHJFBAJEV-PBHICJAKSA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1OC ZINC000658063609 462363758 /nfs/dbraw/zinc/36/37/58/462363758.db2.gz WDFMTCHJFBAJEV-PBHICJAKSA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncc(C)c2)cc1F ZINC000665259807 462374534 /nfs/dbraw/zinc/37/45/34/462374534.db2.gz QOUVKIYPYLNQSS-FNHZYXHNSA-N 2 2 343.446 3.334 10 0 EGAELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)F)cc1OC(F)F ZINC000665277327 462381378 /nfs/dbraw/zinc/38/13/78/462381378.db2.gz ZDEPEICXXJDOEC-PWGATLRDSA-N 2 2 348.340 3.292 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1ccc(Cl)cc1 ZINC000665280572 462382578 /nfs/dbraw/zinc/38/25/78/462382578.db2.gz GMKXBQCDUNZALM-MLGOLLRUSA-N 2 2 335.883 3.253 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668075674 462405637 /nfs/dbraw/zinc/40/56/37/462405637.db2.gz XNGUFAJGDFDWNH-UHFFFAOYSA-N 3 2 349.438 3.014 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658297054 462462494 /nfs/dbraw/zinc/46/24/94/462462494.db2.gz XWKMZEYYHLLZLA-ZQYQINFJSA-N 2 2 344.499 3.030 10 0 EGAELP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415198 462503627 /nfs/dbraw/zinc/50/36/27/462503627.db2.gz PCQYERJMZGLVMW-RDJZCZTQSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415198 462503631 /nfs/dbraw/zinc/50/36/31/462503631.db2.gz PCQYERJMZGLVMW-RDJZCZTQSA-N 2 2 329.419 3.445 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000191304724 528842240 /nfs/dbraw/zinc/84/22/40/528842240.db2.gz USLMLCNZDCOAQW-GOSISDBHSA-N 2 2 339.487 3.255 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000191304724 528842243 /nfs/dbraw/zinc/84/22/43/528842243.db2.gz USLMLCNZDCOAQW-GOSISDBHSA-N 2 2 339.487 3.255 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000191491990 528866221 /nfs/dbraw/zinc/86/62/21/528866221.db2.gz IXHLNMCKAQIYGW-UHFFFAOYSA-N 2 2 330.476 3.378 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000191491990 528866222 /nfs/dbraw/zinc/86/62/22/528866222.db2.gz IXHLNMCKAQIYGW-UHFFFAOYSA-N 2 2 330.476 3.378 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129460226 546788406 /nfs/dbraw/zinc/78/84/06/546788406.db2.gz FWTUGVMLCWNLDV-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129460226 546788409 /nfs/dbraw/zinc/78/84/09/546788409.db2.gz FWTUGVMLCWNLDV-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000188418823 547148994 /nfs/dbraw/zinc/14/89/94/547148994.db2.gz UJICICPBHAXJFG-ICSRJNTNSA-N 2 2 341.455 3.106 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000389556281 547826173 /nfs/dbraw/zinc/82/61/73/547826173.db2.gz RQNSJBGVKYJWJJ-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000389556281 547826176 /nfs/dbraw/zinc/82/61/76/547826176.db2.gz RQNSJBGVKYJWJJ-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000673669468 548593157 /nfs/dbraw/zinc/59/31/57/548593157.db2.gz QYHCEVSOROBYJE-UHFFFAOYSA-N 2 2 329.363 3.147 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675765521 548975948 /nfs/dbraw/zinc/97/59/48/548975948.db2.gz JHGXZTSCDPYKPO-DGCLKSJQSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675765521 548975951 /nfs/dbraw/zinc/97/59/51/548975951.db2.gz JHGXZTSCDPYKPO-DGCLKSJQSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925867 549006126 /nfs/dbraw/zinc/00/61/26/549006126.db2.gz CHAWMIMOBQXQNU-QAPCUYQASA-N 2 2 344.528 3.209 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925867 549006130 /nfs/dbraw/zinc/00/61/30/549006130.db2.gz CHAWMIMOBQXQNU-QAPCUYQASA-N 2 2 344.528 3.209 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678770321 549558091 /nfs/dbraw/zinc/55/80/91/549558091.db2.gz CSBGGNBTLYFRNN-QGZVFWFLSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@@H](Cc1cccs1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044810 549624829 /nfs/dbraw/zinc/62/48/29/549624829.db2.gz QYJNSHYINPXYTL-FXAWDEMLSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@@H](Cc1cccs1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044810 549624833 /nfs/dbraw/zinc/62/48/33/549624833.db2.gz QYJNSHYINPXYTL-FXAWDEMLSA-N 2 2 344.524 3.296 10 0 EGAELP CCc1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000680075345 549816148 /nfs/dbraw/zinc/81/61/48/549816148.db2.gz PTXXHHMJUFOIBT-UHFFFAOYSA-N 2 2 345.516 3.234 10 0 EGAELP CCc1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000680075345 549816150 /nfs/dbraw/zinc/81/61/50/549816150.db2.gz PTXXHHMJUFOIBT-UHFFFAOYSA-N 2 2 345.516 3.234 10 0 EGAELP C[NH2+]CC[C@]1(c2ccc(OC)c(OC)c2)CCc2[nH+]cccc2C1 ZINC000004102441 560196954 /nfs/dbraw/zinc/19/69/54/560196954.db2.gz QFRVOGLOHJOHAY-HXUWFJFHSA-N 2 2 326.440 3.135 10 0 in-vitro EGAELP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000743261286 576804539 /nfs/dbraw/zinc/80/45/39/576804539.db2.gz DFEJHRDDFFJSEZ-OAQYLSRUSA-N 2 2 342.458 3.422 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054241503 1291746920 /nfs/dbraw/zinc/74/69/20/1291746920.db2.gz REVRTRYQYWIXGQ-CJNGLKHVSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054241503 1291746922 /nfs/dbraw/zinc/74/69/22/1291746922.db2.gz REVRTRYQYWIXGQ-CJNGLKHVSA-N 2 2 325.294 3.454 10 0 EGAELP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)CC1 ZINC000069785328 1292252633 /nfs/dbraw/zinc/25/26/33/1292252633.db2.gz HOOGWMHQAAUKPR-UHFFFAOYSA-N 2 2 349.478 3.470 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872052871 1296703027 /nfs/dbraw/zinc/70/30/27/1296703027.db2.gz RCSBGFAFALXODT-POAQFYNOSA-N 2 2 331.504 3.402 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCOC4(CCCC4)C3)[nH+]c2)C1 ZINC000872058238 1296706026 /nfs/dbraw/zinc/70/60/26/1296706026.db2.gz PIDAILYNPOTXEG-WMZOPIPTSA-N 2 2 344.503 3.126 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150681 1296769826 /nfs/dbraw/zinc/76/98/26/1296769826.db2.gz ZMUQOEYXYQRKTC-KGLIPLIRSA-N 2 2 329.410 3.336 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150681 1296769833 /nfs/dbraw/zinc/76/98/33/1296769833.db2.gz ZMUQOEYXYQRKTC-KGLIPLIRSA-N 2 2 329.410 3.336 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657002 1297535053 /nfs/dbraw/zinc/53/50/53/1297535053.db2.gz REQUMSQMRCFWNL-YLJYHZDGSA-N 2 2 337.467 3.268 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657002 1297535062 /nfs/dbraw/zinc/53/50/62/1297535062.db2.gz REQUMSQMRCFWNL-YLJYHZDGSA-N 2 2 337.467 3.268 10 0 EGAELP Nc1ccc(Cl)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705887425 1298217462 /nfs/dbraw/zinc/21/74/62/1298217462.db2.gz NBBZRWRYYBIOGI-QZTJIDSGSA-N 2 2 341.886 3.486 10 0 EGAELP COCCC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925780480 1325298909 /nfs/dbraw/zinc/29/89/09/1325298909.db2.gz ANMNAIDKAABCFM-DAXOMENPSA-N 2 2 341.293 3.114 10 0 EGAELP c1[nH+]c(C2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)n2c1CCCC2 ZINC000878528263 1300054037 /nfs/dbraw/zinc/05/40/37/1300054037.db2.gz MGUXDPBFIFAIPV-UHFFFAOYSA-N 2 2 340.471 3.466 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2cc(NC(=O)OC(C)(C)C)ccn2)CC1 ZINC000886679093 1303555929 /nfs/dbraw/zinc/55/59/29/1303555929.db2.gz PUIJNFMRKSQOSY-UHFFFAOYSA-N 2 2 334.464 3.003 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000895827541 1309541690 /nfs/dbraw/zinc/54/16/90/1309541690.db2.gz MOOKKINTBYDYMN-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719822 1328677331 /nfs/dbraw/zinc/67/73/31/1328677331.db2.gz QENXQWIOGSCAMC-OAGGEKHMSA-N 2 2 334.426 3.294 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719822 1328677334 /nfs/dbraw/zinc/67/73/34/1328677334.db2.gz QENXQWIOGSCAMC-OAGGEKHMSA-N 2 2 334.426 3.294 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913758058 1319117172 /nfs/dbraw/zinc/11/71/72/1319117172.db2.gz ZRXPSCKRQCXOIB-IBGZPJMESA-N 2 2 348.450 3.207 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913758058 1319117176 /nfs/dbraw/zinc/11/71/76/1319117176.db2.gz ZRXPSCKRQCXOIB-IBGZPJMESA-N 2 2 348.450 3.207 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372733 1328844075 /nfs/dbraw/zinc/84/40/75/1328844075.db2.gz DAHYZJLZSKWPTJ-QGZVFWFLSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372733 1328844077 /nfs/dbraw/zinc/84/40/77/1328844077.db2.gz DAHYZJLZSKWPTJ-QGZVFWFLSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372733 1328844078 /nfs/dbraw/zinc/84/40/78/1328844078.db2.gz DAHYZJLZSKWPTJ-QGZVFWFLSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372733 1328844081 /nfs/dbraw/zinc/84/40/81/1328844081.db2.gz DAHYZJLZSKWPTJ-QGZVFWFLSA-N 2 2 344.528 3.417 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455749 1328860295 /nfs/dbraw/zinc/86/02/95/1328860295.db2.gz AJGRFRHXIMNDCC-OAQYLSRUSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455749 1328860302 /nfs/dbraw/zinc/86/03/02/1328860302.db2.gz AJGRFRHXIMNDCC-OAQYLSRUSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455749 1328860322 /nfs/dbraw/zinc/86/03/22/1328860322.db2.gz AJGRFRHXIMNDCC-OAQYLSRUSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)nn1 ZINC000930455749 1328860326 /nfs/dbraw/zinc/86/03/26/1328860326.db2.gz AJGRFRHXIMNDCC-OAQYLSRUSA-N 2 2 336.483 3.191 10 0 EGAELP c1ccc(C[NH2+]C2CC[NH+](CCSc3ccncc3)CC2)cc1 ZINC000930616298 1328916951 /nfs/dbraw/zinc/91/69/51/1328916951.db2.gz ZEZGCVZTTLPTIP-UHFFFAOYSA-N 2 2 327.497 3.428 10 0 EGAELP CC(C)(C)Oc1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000930672966 1328932711 /nfs/dbraw/zinc/93/27/11/1328932711.db2.gz DIYXLDOYMMEYGY-UHFFFAOYSA-N 2 2 346.515 3.190 10 0 EGAELP Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000921518255 1322337821 /nfs/dbraw/zinc/33/78/21/1322337821.db2.gz SIWPOXQGHIDJPY-UHFFFAOYSA-N 2 2 341.846 3.475 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532622 1322342126 /nfs/dbraw/zinc/34/21/26/1322342126.db2.gz MBIGXBAXUSTYTO-IXDOHACOSA-N 2 2 339.524 3.144 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532622 1322342133 /nfs/dbraw/zinc/34/21/33/1322342133.db2.gz MBIGXBAXUSTYTO-IXDOHACOSA-N 2 2 339.524 3.144 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000924612906 1323076414 /nfs/dbraw/zinc/07/64/14/1323076414.db2.gz NKWRNTZHIFJQIT-CTXDPNEZSA-N 2 2 345.556 3.215 10 0 EGAELP Cc1[nH]c(CN2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)[nH+]c1C ZINC000931222786 1329074037 /nfs/dbraw/zinc/07/40/37/1329074037.db2.gz CTPFYLAOLKZSKE-OYRHEFFESA-N 2 2 338.499 3.371 10 0 EGAELP Cc1[nH]c(CN2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)[nH+]c1C ZINC000931222786 1329074041 /nfs/dbraw/zinc/07/40/41/1329074041.db2.gz CTPFYLAOLKZSKE-OYRHEFFESA-N 2 2 338.499 3.371 10 0 EGAELP CCCOc1cccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287923 1329086162 /nfs/dbraw/zinc/08/61/62/1329086162.db2.gz WXSYOOHQASGAJM-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP CCCOc1cccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287923 1329086166 /nfs/dbraw/zinc/08/61/66/1329086166.db2.gz WXSYOOHQASGAJM-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP Cc1nnsc1[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747858 1329176524 /nfs/dbraw/zinc/17/65/24/1329176524.db2.gz XFGYIMIMWLGWOM-BPQIPLTHSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747858 1329176526 /nfs/dbraw/zinc/17/65/26/1329176526.db2.gz XFGYIMIMWLGWOM-BPQIPLTHSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747858 1329176540 /nfs/dbraw/zinc/17/65/40/1329176540.db2.gz XFGYIMIMWLGWOM-BPQIPLTHSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747858 1329176544 /nfs/dbraw/zinc/17/65/44/1329176544.db2.gz XFGYIMIMWLGWOM-BPQIPLTHSA-N 2 2 342.512 3.361 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000925590909 1325223860 /nfs/dbraw/zinc/22/38/60/1325223860.db2.gz LUZFGKRLFXFMAW-IERDGZPVSA-N 2 2 343.515 3.402 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925592616 1325224515 /nfs/dbraw/zinc/22/45/15/1325224515.db2.gz XMCFZWVRTJEHRY-PBEJRMEISA-N 2 2 343.515 3.402 10 0 EGAELP CC1(C)[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716832 1325268556 /nfs/dbraw/zinc/26/85/56/1325268556.db2.gz QRBPKXBXBOSDRF-ZAWLATJESA-N 2 2 336.483 3.226 10 0 EGAELP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736032 1325275431 /nfs/dbraw/zinc/27/54/31/1325275431.db2.gz KAFTXLIGFVYKNK-BRWVUGGUSA-N 2 2 347.256 3.217 10 0 EGAELP CC(C)[C@H]1COCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905233 1325352708 /nfs/dbraw/zinc/35/27/08/1325352708.db2.gz DYRZTFHHROOUHE-RTBURBONSA-N 2 2 346.519 3.085 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000926230271 1325485162 /nfs/dbraw/zinc/48/51/62/1325485162.db2.gz RSVALZAZAFRXLX-SWLSCSKDSA-N 2 2 347.260 3.023 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000926963517 1327800199 /nfs/dbraw/zinc/80/01/99/1327800199.db2.gz UTQBRMFPSJVJBG-ZYHUDNBSSA-N 2 2 335.311 3.128 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926856170 1327743061 /nfs/dbraw/zinc/74/30/61/1327743061.db2.gz RCPCPIIZZMJXAZ-HKBOAZHASA-N 2 2 343.515 3.444 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926856170 1327743066 /nfs/dbraw/zinc/74/30/66/1327743066.db2.gz RCPCPIIZZMJXAZ-HKBOAZHASA-N 2 2 343.515 3.444 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)c2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000863574487 1329564280 /nfs/dbraw/zinc/56/42/80/1329564280.db2.gz ADXXBPIWTKMEAC-INIZCTEOSA-N 2 2 348.878 3.297 10 0 EGAELP C[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000863983642 1329592438 /nfs/dbraw/zinc/59/24/38/1329592438.db2.gz KNKGNSFNYKHOJB-MAUKXSAKSA-N 2 2 347.503 3.325 10 0 EGAELP Fc1ccc2c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)noc2c1 ZINC000866610749 1330132647 /nfs/dbraw/zinc/13/26/47/1330132647.db2.gz NGDCOOLJSDMCNK-UHFFFAOYSA-N 2 2 326.375 3.121 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000866709015 1330143335 /nfs/dbraw/zinc/14/33/35/1330143335.db2.gz UQFMOJMCEPCEGW-SFHVURJKSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000866709015 1330143338 /nfs/dbraw/zinc/14/33/38/1330143338.db2.gz UQFMOJMCEPCEGW-SFHVURJKSA-N 2 2 332.423 3.073 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263028 1387319636 /nfs/dbraw/zinc/31/96/36/1387319636.db2.gz QOKAFNOWPBSRMT-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263028 1387319639 /nfs/dbraw/zinc/31/96/39/1387319639.db2.gz QOKAFNOWPBSRMT-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001326040828 1388104603 /nfs/dbraw/zinc/10/46/03/1388104603.db2.gz FFEBKYLALBOKSO-CJISVDGZSA-N 2 2 340.471 3.182 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001326040828 1388104606 /nfs/dbraw/zinc/10/46/06/1388104606.db2.gz FFEBKYLALBOKSO-CJISVDGZSA-N 2 2 340.471 3.182 10 0 EGAELP CCOC(=O)CC(C)(C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001117865353 1371105467 /nfs/dbraw/zinc/10/54/67/1371105467.db2.gz BKVDNKATWUDYFY-UHFFFAOYSA-N 2 2 347.503 3.138 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1ccccc1C ZINC001266102697 1377186894 /nfs/dbraw/zinc/18/68/94/1377186894.db2.gz GXNBHUWCTOULHV-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1ccccc1C ZINC001266102697 1377186896 /nfs/dbraw/zinc/18/68/96/1377186896.db2.gz GXNBHUWCTOULHV-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CC[C@@H](C)F)CC2)c(C)[nH+]1 ZINC001266913063 1377401788 /nfs/dbraw/zinc/40/17/88/1377401788.db2.gz FQURRQLZZHDSFV-NVPAJSRCSA-N 2 2 335.467 3.386 10 0 EGAELP CC(C)(C)CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001267841929 1377474771 /nfs/dbraw/zinc/47/47/71/1377474771.db2.gz XTVMCYKFICMJQK-UHFFFAOYSA-N 2 2 342.487 3.403 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001268164774 1377490514 /nfs/dbraw/zinc/49/05/14/1377490514.db2.gz CZZQEMZIOQTJCR-GOSISDBHSA-N 2 2 346.519 3.283 10 0 EGAELP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001327499525 1388537294 /nfs/dbraw/zinc/53/72/94/1388537294.db2.gz JJYHVBMQUPCTLP-UHFFFAOYSA-N 2 2 344.503 3.134 10 0 EGAELP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001280488516 1378350466 /nfs/dbraw/zinc/35/04/66/1378350466.db2.gz ZOWILWSNQCHDKP-UHFFFAOYSA-N 2 2 340.471 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677971 1378549078 /nfs/dbraw/zinc/54/90/78/1378549078.db2.gz LJSGZCOGJPBALN-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677971 1378549080 /nfs/dbraw/zinc/54/90/80/1378549080.db2.gz LJSGZCOGJPBALN-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677971 1378549082 /nfs/dbraw/zinc/54/90/82/1378549082.db2.gz LJSGZCOGJPBALN-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677971 1378549083 /nfs/dbraw/zinc/54/90/83/1378549083.db2.gz LJSGZCOGJPBALN-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283189421 1378756934 /nfs/dbraw/zinc/75/69/34/1378756934.db2.gz OVHGOTUQAPTIBW-KBAYOESNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283189421 1378756936 /nfs/dbraw/zinc/75/69/36/1378756936.db2.gz OVHGOTUQAPTIBW-KBAYOESNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001328035608 1388650525 /nfs/dbraw/zinc/65/05/25/1388650525.db2.gz RRQHQAATOIXKBC-IAGOWNOFSA-N 2 2 346.519 3.139 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097675 1388669491 /nfs/dbraw/zinc/66/94/91/1388669491.db2.gz HRJKLCSIWXJFAO-YJBOKZPZSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097675 1388669494 /nfs/dbraw/zinc/66/94/94/1388669494.db2.gz HRJKLCSIWXJFAO-YJBOKZPZSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097675 1388669496 /nfs/dbraw/zinc/66/94/96/1388669496.db2.gz HRJKLCSIWXJFAO-YJBOKZPZSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097675 1388669499 /nfs/dbraw/zinc/66/94/99/1388669499.db2.gz HRJKLCSIWXJFAO-YJBOKZPZSA-N 2 2 348.535 3.241 10 0 EGAELP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085378 1388667203 /nfs/dbraw/zinc/66/72/03/1388667203.db2.gz KWIHJBFYOTXRFE-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085378 1388667207 /nfs/dbraw/zinc/66/72/07/1388667207.db2.gz KWIHJBFYOTXRFE-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001290588839 1382099153 /nfs/dbraw/zinc/09/91/53/1382099153.db2.gz ITBHIHYOPJETHG-IBGZPJMESA-N 2 2 329.488 3.484 10 0 EGAELP CC[N@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001290588839 1382099156 /nfs/dbraw/zinc/09/91/56/1382099156.db2.gz ITBHIHYOPJETHG-IBGZPJMESA-N 2 2 329.488 3.484 10 0 EGAELP CC[NH+]1CC[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001290588839 1382099157 /nfs/dbraw/zinc/09/91/57/1382099157.db2.gz ITBHIHYOPJETHG-IBGZPJMESA-N 2 2 329.488 3.484 10 0 EGAELP CC[NH+]1CC[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001290588839 1382099159 /nfs/dbraw/zinc/09/91/59/1382099159.db2.gz ITBHIHYOPJETHG-IBGZPJMESA-N 2 2 329.488 3.484 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316802646 1384590892 /nfs/dbraw/zinc/59/08/92/1384590892.db2.gz NALJIDQYTHFPLG-RCCFBDPRSA-N 2 2 346.519 3.406 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316802646 1384590895 /nfs/dbraw/zinc/59/08/95/1384590895.db2.gz NALJIDQYTHFPLG-RCCFBDPRSA-N 2 2 346.519 3.406 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316802646 1384590899 /nfs/dbraw/zinc/59/08/99/1384590899.db2.gz NALJIDQYTHFPLG-RCCFBDPRSA-N 2 2 346.519 3.406 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316802646 1384590901 /nfs/dbraw/zinc/59/09/01/1384590901.db2.gz NALJIDQYTHFPLG-RCCFBDPRSA-N 2 2 346.519 3.406 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001329069902 1388953308 /nfs/dbraw/zinc/95/33/08/1388953308.db2.gz PILZXDQKNFYVBI-IAGOWNOFSA-N 2 2 346.519 3.300 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001329069903 1388953534 /nfs/dbraw/zinc/95/35/34/1388953534.db2.gz PILZXDQKNFYVBI-IRXDYDNUSA-N 2 2 346.519 3.300 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001317401091 1385116036 /nfs/dbraw/zinc/11/60/36/1385116036.db2.gz OHQRKBSZQRFBIT-ROUUACIJSA-N 2 2 342.487 3.136 10 0 EGAELP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317433033 1385136797 /nfs/dbraw/zinc/13/67/97/1385136797.db2.gz CMHHECQHOOYOCJ-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001317433033 1385136798 /nfs/dbraw/zinc/13/67/98/1385136798.db2.gz CMHHECQHOOYOCJ-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP Cn1c[nH+]cc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317433035 1385136842 /nfs/dbraw/zinc/13/68/42/1385136842.db2.gz CMHHECQHOOYOCJ-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP Cn1c[nH+]cc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001317433035 1385136843 /nfs/dbraw/zinc/13/68/43/1385136843.db2.gz CMHHECQHOOYOCJ-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001317503655 1385208138 /nfs/dbraw/zinc/20/81/38/1385208138.db2.gz QUIGUWXFFMXTSV-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001317503655 1385208142 /nfs/dbraw/zinc/20/81/42/1385208142.db2.gz QUIGUWXFFMXTSV-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CC[C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)[NH2+]CCC(C)(C)C ZINC001698617792 1406252796 /nfs/dbraw/zinc/25/27/96/1406252796.db2.gz CRFGSHONXKKYDB-INIZCTEOSA-N 2 2 344.503 3.106 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319478217 1386139910 /nfs/dbraw/zinc/13/99/10/1386139910.db2.gz SGBOVRJHKRNMCM-XHPSBEMXSA-N 2 2 328.460 3.359 10 0 EGAELP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001319779163 1386293048 /nfs/dbraw/zinc/29/30/48/1386293048.db2.gz RQHQCGRLDHTPSJ-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001319826942 1386320397 /nfs/dbraw/zinc/32/03/97/1386320397.db2.gz ONXIHHDSATURKK-IRXDYDNUSA-N 2 2 348.535 3.484 10 0 EGAELP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322345070 1387165214 /nfs/dbraw/zinc/16/52/14/1387165214.db2.gz JWCBPBOEOBCVJV-MJGOQNOKSA-N 2 2 340.471 3.161 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@H](C)F)ccn12 ZINC001329291423 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HOUCWLPGWCZGDR-CQSZACIVSA-N 2 2 328.460 3.099 10 0 EGAELP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCC1CCCCC1 ZINC001332201779 1390038028 /nfs/dbraw/zinc/03/80/28/1390038028.db2.gz XFKZAPYOBUGJKM-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCC1CCCCC1 ZINC001332201779 1390038032 /nfs/dbraw/zinc/03/80/32/1390038032.db2.gz XFKZAPYOBUGJKM-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP CCCC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001332707297 1390161795 /nfs/dbraw/zinc/16/17/95/1390161795.db2.gz LLIUXJIYNQVERU-UHFFFAOYSA-N 2 2 330.476 3.225 10 0 EGAELP CCCC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001332707297 1390161799 /nfs/dbraw/zinc/16/17/99/1390161799.db2.gz LLIUXJIYNQVERU-UHFFFAOYSA-N 2 2 330.476 3.225 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001698830255 1406523677 /nfs/dbraw/zinc/52/36/77/1406523677.db2.gz CNHZIWPDUZZQAF-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP 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1392525898 /nfs/dbraw/zinc/52/58/98/1392525898.db2.gz NKDLOUVWBMOLGC-UHFFFAOYSA-N 2 2 334.508 3.022 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1)n1cc[nH+]c1 ZINC001480328447 1392688187 /nfs/dbraw/zinc/68/81/87/1392688187.db2.gz SZPDQFRFADTFQI-RDJZCZTQSA-N 2 2 346.500 3.067 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1)n1cc[nH+]c1 ZINC001480328447 1392688193 /nfs/dbraw/zinc/68/81/93/1392688193.db2.gz SZPDQFRFADTFQI-RDJZCZTQSA-N 2 2 346.500 3.067 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328560 1392688396 /nfs/dbraw/zinc/68/83/96/1392688396.db2.gz VYIZZNWQUWSNKU-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1)n1cc[nH+]c1 ZINC001480328560 1392688397 /nfs/dbraw/zinc/68/83/97/1392688397.db2.gz VYIZZNWQUWSNKU-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCC(C)(C)C)C3)ccn12 ZINC001480614124 1392819818 /nfs/dbraw/zinc/81/98/18/1392819818.db2.gz NHPVGVSTBLSOSJ-KRWDZBQOSA-N 2 2 342.487 3.273 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001480696250 1392859992 /nfs/dbraw/zinc/85/99/92/1392859992.db2.gz URCAXBRQWITVSO-IAGOWNOFSA-N 2 2 347.503 3.086 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001480892576 1393003072 /nfs/dbraw/zinc/00/30/72/1393003072.db2.gz KWWKTRCKZPAPGU-LJQANCHMSA-N 2 2 337.467 3.356 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001480892576 1393003076 /nfs/dbraw/zinc/00/30/76/1393003076.db2.gz KWWKTRCKZPAPGU-LJQANCHMSA-N 2 2 337.467 3.356 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001480919060 1393020004 /nfs/dbraw/zinc/02/00/04/1393020004.db2.gz PWFPCSPCSAOQCO-ROUUACIJSA-N 2 2 342.487 3.260 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001480919060 1393020008 /nfs/dbraw/zinc/02/00/08/1393020008.db2.gz PWFPCSPCSAOQCO-ROUUACIJSA-N 2 2 342.487 3.260 10 0 EGAELP 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ZINC001481520023 1394370650 /nfs/dbraw/zinc/37/06/50/1394370650.db2.gz AANHWVURIBYLAA-UHFFFAOYSA-N 2 2 348.535 3.294 10 0 EGAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001482340145 1394908202 /nfs/dbraw/zinc/90/82/02/1394908202.db2.gz ZQWONWKMEDYJHP-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482384298 1394945545 /nfs/dbraw/zinc/94/55/45/1394945545.db2.gz NPUPHBGYZVMOKE-SFHVURJKSA-N 2 2 342.487 3.343 10 0 EGAELP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001482483984 1395038023 /nfs/dbraw/zinc/03/80/23/1395038023.db2.gz QJUBNQCGEFQBQN-MSOLQXFVSA-N 2 2 348.535 3.316 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)N(C)C1C[NH+](CCCC(C)C)C1)c1ccccc1 ZINC001483885489 1395127857 /nfs/dbraw/zinc/12/78/57/1395127857.db2.gz LVGRBYHPHFBCCR-FQEVSTJZSA-N 2 2 345.531 3.258 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)N(C)C1C[NH+](CCCC(C)C)C1)c1ccccc1 ZINC001483885489 1395127861 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ZINC001717373300 1421313727 /nfs/dbraw/zinc/31/37/27/1421313727.db2.gz HFVKDYLHWUSUBU-DLBZAZTESA-N 2 2 348.535 3.292 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373300 1421313730 /nfs/dbraw/zinc/31/37/30/1421313730.db2.gz HFVKDYLHWUSUBU-DLBZAZTESA-N 2 2 348.535 3.292 10 0 EGAELP CC(C)CCC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717703837 1421577706 /nfs/dbraw/zinc/57/77/06/1421577706.db2.gz NHWRJZVOMKHSDI-QGZVFWFLSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)CCC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717703837 1421577708 /nfs/dbraw/zinc/57/77/08/1421577708.db2.gz NHWRJZVOMKHSDI-QGZVFWFLSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001717835674 1421648973 /nfs/dbraw/zinc/64/89/73/1421648973.db2.gz CVSNBEGPCPKOMJ-WSTZPKSXSA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001717835674 1421648975 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ZINC001724755640 1425126389 /nfs/dbraw/zinc/12/63/89/1425126389.db2.gz ZNANQWBDCKHHSF-QAQDUYKDSA-N 2 2 348.535 3.054 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001724795217 1425161790 /nfs/dbraw/zinc/16/17/90/1425161790.db2.gz CXQHXHPGALSZHN-INIZCTEOSA-N 2 2 344.503 3.107 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001724795217 1425161791 /nfs/dbraw/zinc/16/17/91/1425161791.db2.gz CXQHXHPGALSZHN-INIZCTEOSA-N 2 2 344.503 3.107 10 0 EGAELP CCC(CC)C[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001725065067 1425507077 /nfs/dbraw/zinc/50/70/77/1425507077.db2.gz OFCZWOUCMTXPPI-UHFFFAOYSA-N 2 2 342.487 3.177 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001725229056 1425799545 /nfs/dbraw/zinc/79/95/45/1425799545.db2.gz KDVLXEOOXKEFKR-INIZCTEOSA-N 2 2 348.535 3.352 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(C)C ZINC001725733584 1426406078 /nfs/dbraw/zinc/40/60/78/1426406078.db2.gz QYKYBCUTOJBRCO-KRWDZBQOSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(C)C ZINC001725733584 1426406080 /nfs/dbraw/zinc/40/60/80/1426406080.db2.gz QYKYBCUTOJBRCO-KRWDZBQOSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C)ccn12 ZINC001725738343 1426413066 /nfs/dbraw/zinc/41/30/66/1426413066.db2.gz HUGNDTJCHUDJKZ-KEDPEKRHSA-N 2 2 348.878 3.129 10 0 EGAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001725764642 1426447231 /nfs/dbraw/zinc/44/72/31/1426447231.db2.gz ZKPCFFJBJBVLKZ-QGZVFWFLSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]CCCC3CCC3)C2)c[nH+]1 ZINC001725779558 1426463491 /nfs/dbraw/zinc/46/34/91/1426463491.db2.gz INPBYEUAQTYGNQ-UHFFFAOYSA-N 2 2 346.519 3.086 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544326 1427558985 /nfs/dbraw/zinc/55/89/85/1427558985.db2.gz UMDGWMXXQVWWCQ-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP 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ZINC001734061015 1437854792 /nfs/dbraw/zinc/85/47/92/1437854792.db2.gz XZUHXPJHIHVJLD-CABCVRRESA-N 2 2 348.878 3.124 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001734306901 1438039091 /nfs/dbraw/zinc/03/90/91/1438039091.db2.gz NYLQWNXCPGALHH-QFBILLFUSA-N 2 2 344.503 3.161 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485004 1438128576 /nfs/dbraw/zinc/12/85/76/1438128576.db2.gz IUWAEXIWSMISQS-QZTJIDSGSA-N 2 2 344.503 3.026 10 0 EGAELP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001734498355 1438133316 /nfs/dbraw/zinc/13/33/16/1438133316.db2.gz YLUAIBWOHPMQOS-YOEHRIQHSA-N 2 2 342.487 3.129 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)CCn1cc[nH+]c1 ZINC001734551807 1438149711 /nfs/dbraw/zinc/14/97/11/1438149711.db2.gz JOHLQXWLALYQMI-UHFFFAOYSA-N 2 2 348.535 3.412 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)CCn1cc[nH+]c1 ZINC001734551807 1438149713 /nfs/dbraw/zinc/14/97/13/1438149713.db2.gz JOHLQXWLALYQMI-UHFFFAOYSA-N 2 2 348.535 3.412 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000368090237 168309701 /nfs/dbraw/zinc/30/97/01/168309701.db2.gz QPHMDVZQEHYEQO-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(OCc3ccncc3)cc1)CC2 ZINC000368090237 168309704 /nfs/dbraw/zinc/30/97/04/168309704.db2.gz QPHMDVZQEHYEQO-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058309948 201141079 /nfs/dbraw/zinc/14/10/79/201141079.db2.gz JUMYAXXVMKZHET-INIZCTEOSA-N 2 2 340.471 3.095 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058309948 201141081 /nfs/dbraw/zinc/14/10/81/201141081.db2.gz JUMYAXXVMKZHET-INIZCTEOSA-N 2 2 340.471 3.095 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CCO1 ZINC000275641845 201284966 /nfs/dbraw/zinc/28/49/66/201284966.db2.gz SZMYXIYLLGARAI-SWLSCSKDSA-N 2 2 334.489 3.184 10 0 EGAELP 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C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)Cn1cc[nH+]c1 ZINC000156572513 206086668 /nfs/dbraw/zinc/08/66/68/206086668.db2.gz LPOAJNIECRQTEX-NSHDSACASA-N 2 2 326.213 3.211 10 0 EGAELP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377396673 169019777 /nfs/dbraw/zinc/01/97/77/169019777.db2.gz CXGCQNDWKSBQRA-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377396673 169019779 /nfs/dbraw/zinc/01/97/79/169019779.db2.gz CXGCQNDWKSBQRA-LLVKDONJSA-N 2 2 340.652 3.473 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCO1 ZINC000328628805 258030971 /nfs/dbraw/zinc/03/09/71/258030971.db2.gz HNZMPDICPZDEDQ-DRWNQKMKSA-N 2 2 329.419 3.315 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454384 141299730 /nfs/dbraw/zinc/29/97/30/141299730.db2.gz JNJQVAYHSKLJRT-INDMIFKZSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454384 141299732 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10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000178325485 144068994 /nfs/dbraw/zinc/06/89/94/144068994.db2.gz QOGUABKGKILVCC-IBGZPJMESA-N 2 2 339.418 3.181 10 0 EGAELP COc1ccc2cc(C[NH+]3CCN(c4cc[nH+]c(C)n4)CC3)ccc2c1 ZINC000184766734 144098845 /nfs/dbraw/zinc/09/88/45/144098845.db2.gz JKSGZDADUKDFID-UHFFFAOYSA-N 2 2 348.450 3.269 10 0 EGAELP Cc1nc(N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000184763152 144099022 /nfs/dbraw/zinc/09/90/22/144099022.db2.gz YZLFJZQVVUPZAG-NSCUHMNNSA-N 2 2 328.847 3.274 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1F ZINC000187065706 144151154 /nfs/dbraw/zinc/15/11/54/144151154.db2.gz LPHREUUTVZPQSQ-CQSZACIVSA-N 2 2 345.393 3.367 10 0 EGAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1F ZINC000187065706 144151155 /nfs/dbraw/zinc/15/11/55/144151155.db2.gz LPHREUUTVZPQSQ-CQSZACIVSA-N 2 2 345.393 3.367 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083753 144151767 /nfs/dbraw/zinc/15/17/67/144151767.db2.gz FDENRCAMVPPBJO-HNNXBMFYSA-N 2 2 336.426 3.345 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083753 144151769 /nfs/dbraw/zinc/15/17/69/144151769.db2.gz FDENRCAMVPPBJO-HNNXBMFYSA-N 2 2 336.426 3.345 10 0 EGAELP C[C@@H](c1c(F)cccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119627447 152217808 /nfs/dbraw/zinc/21/78/08/152217808.db2.gz OJRJYIDXKLRDBK-PMRDEQMMSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1c(F)cccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119627447 152217809 /nfs/dbraw/zinc/21/78/09/152217809.db2.gz OJRJYIDXKLRDBK-PMRDEQMMSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000188754316 153031667 /nfs/dbraw/zinc/03/16/67/153031667.db2.gz DUHCKVYSQQNFEZ-MRXNPFEDSA-N 2 2 346.523 3.047 10 0 EGAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191967128 153234463 /nfs/dbraw/zinc/23/44/63/153234463.db2.gz KWQIXSFVTGSBCE-LJQANCHMSA-N 2 2 340.471 3.014 10 0 EGAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191967128 153234465 /nfs/dbraw/zinc/23/44/65/153234465.db2.gz KWQIXSFVTGSBCE-LJQANCHMSA-N 2 2 340.471 3.014 10 0 EGAELP CCOc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cs2)cc1 ZINC000193630586 153299088 /nfs/dbraw/zinc/29/90/88/153299088.db2.gz ZJEKXPQIEJOCPD-IYBDPMFKSA-N 2 2 343.496 3.202 10 0 EGAELP CCOc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cs2)cc1 ZINC000193630586 153299094 /nfs/dbraw/zinc/29/90/94/153299094.db2.gz ZJEKXPQIEJOCPD-IYBDPMFKSA-N 2 2 343.496 3.202 10 0 EGAELP CCOc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cs2)cc1 ZINC000193630586 153299101 /nfs/dbraw/zinc/29/91/01/153299101.db2.gz ZJEKXPQIEJOCPD-IYBDPMFKSA-N 2 2 343.496 3.202 10 0 EGAELP CCOc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cs2)cc1 ZINC000193630586 153299104 /nfs/dbraw/zinc/29/91/04/153299104.db2.gz ZJEKXPQIEJOCPD-IYBDPMFKSA-N 2 2 343.496 3.202 10 0 EGAELP COC[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000093882374 162032919 /nfs/dbraw/zinc/03/29/19/162032919.db2.gz IJAXRDAFTPBWCA-QGZVFWFLSA-N 2 2 346.394 3.010 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000113500080 162210802 /nfs/dbraw/zinc/21/08/02/162210802.db2.gz IQJFPVQQNAXGNK-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794439 164035672 /nfs/dbraw/zinc/03/56/72/164035672.db2.gz LLOHAYQEYGMBDK-XJKSGUPXSA-N 2 2 338.879 3.273 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794439 164035673 /nfs/dbraw/zinc/03/56/73/164035673.db2.gz LLOHAYQEYGMBDK-XJKSGUPXSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794439 164035675 /nfs/dbraw/zinc/03/56/75/164035675.db2.gz LLOHAYQEYGMBDK-XJKSGUPXSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794439 164035677 /nfs/dbraw/zinc/03/56/77/164035677.db2.gz LLOHAYQEYGMBDK-XJKSGUPXSA-N 2 2 338.879 3.273 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000343835578 164047306 /nfs/dbraw/zinc/04/73/06/164047306.db2.gz CROPALMYLLMYMP-BBRMVZONSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000343835578 164047308 /nfs/dbraw/zinc/04/73/08/164047308.db2.gz CROPALMYLLMYMP-BBRMVZONSA-N 2 2 347.846 3.391 10 0 EGAELP COCC[N@H+](Cc1ccc(C)o1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346192121 164359876 /nfs/dbraw/zinc/35/98/76/164359876.db2.gz DAQSPFYUNJAFIV-UHFFFAOYSA-N 2 2 340.427 3.126 10 0 EGAELP COCC[N@@H+](Cc1ccc(C)o1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346192121 164359877 /nfs/dbraw/zinc/35/98/77/164359877.db2.gz DAQSPFYUNJAFIV-UHFFFAOYSA-N 2 2 340.427 3.126 10 0 EGAELP CC[N@H+](CCNC(=O)Nc1c(C)cc[nH+]c1C)CCC(F)(F)F ZINC000351939103 165158826 /nfs/dbraw/zinc/15/88/26/165158826.db2.gz YMTOEQFGCPVVGY-UHFFFAOYSA-N 2 2 332.370 3.094 10 0 EGAELP CC[N@@H+](CCNC(=O)Nc1c(C)cc[nH+]c1C)CCC(F)(F)F ZINC000351939103 165158831 /nfs/dbraw/zinc/15/88/31/165158831.db2.gz YMTOEQFGCPVVGY-UHFFFAOYSA-N 2 2 332.370 3.094 10 0 EGAELP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000352416131 165390576 /nfs/dbraw/zinc/39/05/76/165390576.db2.gz DWYBMRLYRZBIJH-MGPUTAFESA-N 2 2 339.487 3.191 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226355 167101305 /nfs/dbraw/zinc/10/13/05/167101305.db2.gz MJWCCDAGAZXURX-CRAIPNDOSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000359226355 167101309 /nfs/dbraw/zinc/10/13/09/167101309.db2.gz MJWCCDAGAZXURX-CRAIPNDOSA-N 2 2 326.431 3.362 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000359314218 167123576 /nfs/dbraw/zinc/12/35/76/167123576.db2.gz QYAOBSWLWCNKNW-APYUEPQZSA-N 2 2 341.293 3.065 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000359314218 167123580 /nfs/dbraw/zinc/12/35/80/167123580.db2.gz QYAOBSWLWCNKNW-APYUEPQZSA-N 2 2 341.293 3.065 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](Cc2ccco2)CC1 ZINC000359452929 167160646 /nfs/dbraw/zinc/16/06/46/167160646.db2.gz CCMRSYIMEOYIGD-UHFFFAOYSA-N 2 2 341.386 3.298 10 0 EGAELP CCOc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000359525911 167179590 /nfs/dbraw/zinc/17/95/90/167179590.db2.gz AJFRJQHDNCZUSY-GFCCVEGCSA-N 2 2 343.456 3.282 10 0 EGAELP c1cn(-c2ncccc2C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c[nH+]1 ZINC000367025177 168170253 /nfs/dbraw/zinc/17/02/53/168170253.db2.gz XETLOIRLTSVLIC-OAHLLOKOSA-N 2 2 329.407 3.006 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488805 265378900 /nfs/dbraw/zinc/37/89/00/265378900.db2.gz BDISNDZHTMGOMQ-SGSXCFNPSA-N 2 2 347.934 3.455 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488805 265378904 /nfs/dbraw/zinc/37/89/04/265378904.db2.gz BDISNDZHTMGOMQ-SGSXCFNPSA-N 2 2 347.934 3.455 10 0 EGAELP COCCCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255536 266169359 /nfs/dbraw/zinc/16/93/59/266169359.db2.gz TURFMHNJAMWBHJ-MRXNPFEDSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255536 266169360 /nfs/dbraw/zinc/16/93/60/266169360.db2.gz TURFMHNJAMWBHJ-MRXNPFEDSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255536 266169362 /nfs/dbraw/zinc/16/93/62/266169362.db2.gz TURFMHNJAMWBHJ-MRXNPFEDSA-N 2 2 325.522 3.022 10 0 EGAELP COCCCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255536 266169363 /nfs/dbraw/zinc/16/93/63/266169363.db2.gz TURFMHNJAMWBHJ-MRXNPFEDSA-N 2 2 325.522 3.022 10 0 EGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221156337 266196616 /nfs/dbraw/zinc/19/66/16/266196616.db2.gz USIHIFMWRPTEDF-HNNXBMFYSA-N 2 2 341.293 3.422 10 0 EGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221156337 266196619 /nfs/dbraw/zinc/19/66/19/266196619.db2.gz USIHIFMWRPTEDF-HNNXBMFYSA-N 2 2 341.293 3.422 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261942 /nfs/dbraw/zinc/26/19/42/266261942.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261945 /nfs/dbraw/zinc/26/19/45/266261945.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261947 /nfs/dbraw/zinc/26/19/47/266261947.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261950 /nfs/dbraw/zinc/26/19/50/266261950.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099223 274230406 /nfs/dbraw/zinc/23/04/06/274230406.db2.gz FAHPSMNSSDNZQB-FZMZJTMJSA-N 2 2 334.261 3.250 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099223 274230410 /nfs/dbraw/zinc/23/04/10/274230410.db2.gz FAHPSMNSSDNZQB-FZMZJTMJSA-N 2 2 334.261 3.250 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104005 274263639 /nfs/dbraw/zinc/26/36/39/274263639.db2.gz ZUBJEADRKMVIGZ-PWSUYJOCSA-N 2 2 329.835 3.158 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104005 274263640 /nfs/dbraw/zinc/26/36/40/274263640.db2.gz ZUBJEADRKMVIGZ-PWSUYJOCSA-N 2 2 329.835 3.158 10 0 EGAELP Cc1nc(F)ccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000278808672 275276754 /nfs/dbraw/zinc/27/67/54/275276754.db2.gz RWCCQVWCETZALN-UHFFFAOYSA-N 2 2 343.450 3.067 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000184149289 276178869 /nfs/dbraw/zinc/17/88/69/276178869.db2.gz SJSZDNWMORANQV-CABCVRRESA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000184149289 276178871 /nfs/dbraw/zinc/17/88/71/276178871.db2.gz SJSZDNWMORANQV-CABCVRRESA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229317 /nfs/dbraw/zinc/22/93/17/276229317.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 3 2 335.561 3.451 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229320 /nfs/dbraw/zinc/22/93/20/276229320.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229322 /nfs/dbraw/zinc/22/93/22/276229322.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229324 /nfs/dbraw/zinc/22/93/24/276229324.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 3 2 335.561 3.451 10 0 EGAELP FC1(c2ccccn2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000289315168 276320625 /nfs/dbraw/zinc/32/06/25/276320625.db2.gz JNBZFOYUDYJBKQ-UHFFFAOYSA-N 2 2 337.402 3.123 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2n1C ZINC000366379048 282059210 /nfs/dbraw/zinc/05/92/10/282059210.db2.gz UBVZDNDFZGBBIM-ICSRJNTNSA-N 2 2 348.450 3.057 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2n1C ZINC000366379048 282059211 /nfs/dbraw/zinc/05/92/11/282059211.db2.gz UBVZDNDFZGBBIM-ICSRJNTNSA-N 2 2 348.450 3.057 10 0 EGAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342160620 289020754 /nfs/dbraw/zinc/02/07/54/289020754.db2.gz DOVYDFKRHIEZQO-LJQANCHMSA-N 2 2 349.563 3.412 10 0 EGAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342160620 289020756 /nfs/dbraw/zinc/02/07/56/289020756.db2.gz DOVYDFKRHIEZQO-LJQANCHMSA-N 2 2 349.563 3.412 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c1 ZINC000414129982 309062608 /nfs/dbraw/zinc/06/26/08/309062608.db2.gz WIORMDNTXIIQMO-CQSZACIVSA-N 2 2 338.224 3.141 10 0 EGAELP CC[C@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000249403104 308023367 /nfs/dbraw/zinc/02/33/67/308023367.db2.gz VTCBFULWLRJNNQ-WGSAOQKQSA-N 2 2 349.563 3.269 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249452231 308024223 /nfs/dbraw/zinc/02/42/23/308024223.db2.gz CQKYNHMRMBFTEX-IFIJOSMWSA-N 2 2 328.859 3.344 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249452231 308024224 /nfs/dbraw/zinc/02/42/24/308024224.db2.gz CQKYNHMRMBFTEX-IFIJOSMWSA-N 2 2 328.859 3.344 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249452233 308024244 /nfs/dbraw/zinc/02/42/44/308024244.db2.gz CQKYNHMRMBFTEX-MRRJBJDNSA-N 2 2 328.859 3.344 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249452233 308024246 /nfs/dbraw/zinc/02/42/46/308024246.db2.gz CQKYNHMRMBFTEX-MRRJBJDNSA-N 2 2 328.859 3.344 10 0 EGAELP COC(=O)c1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000294924095 308272203 /nfs/dbraw/zinc/27/22/03/308272203.db2.gz IPZMYMRWDMJQEG-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000414733923 309098073 /nfs/dbraw/zinc/09/80/73/309098073.db2.gz FERNYGLMELBQQY-CQSZACIVSA-N 2 2 342.405 3.372 10 0 EGAELP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc(C)c1O ZINC000298688884 308633079 /nfs/dbraw/zinc/63/30/79/308633079.db2.gz JRLQPULYEKXHSJ-UHFFFAOYSA-N 2 2 325.456 3.158 10 0 EGAELP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876682 309106832 /nfs/dbraw/zinc/10/68/32/309106832.db2.gz KTKWBEAQRIQVEP-WIYYLYMNSA-N 3 2 344.547 3.194 10 0 EGAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415015786 309114405 /nfs/dbraw/zinc/11/44/05/309114405.db2.gz ZLUBZSWALFDEON-NXEZZACHSA-N 2 2 340.290 3.398 10 0 EGAELP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC(F)F ZINC000415057792 309117339 /nfs/dbraw/zinc/11/73/39/309117339.db2.gz UHIVSZJCYPMCAA-SJKOYZFVSA-N 2 2 328.403 3.103 10 0 EGAELP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC(F)F ZINC000415057792 309117340 /nfs/dbraw/zinc/11/73/40/309117340.db2.gz UHIVSZJCYPMCAA-SJKOYZFVSA-N 2 2 328.403 3.103 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374841 309284957 /nfs/dbraw/zinc/28/49/57/309284957.db2.gz NXYIAWIHTNEWPD-IIBYNOLFSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374841 309284958 /nfs/dbraw/zinc/28/49/58/309284958.db2.gz NXYIAWIHTNEWPD-IIBYNOLFSA-N 2 2 343.515 3.214 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)cc1F ZINC000421325869 309318626 /nfs/dbraw/zinc/31/86/26/309318626.db2.gz MJLNJPMPKLACQD-UHFFFAOYSA-N 2 2 347.825 3.305 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000422687239 309363434 /nfs/dbraw/zinc/36/34/34/309363434.db2.gz BCYGWCZRONCXJA-DOTOQJQBSA-N 2 2 341.455 3.360 10 0 EGAELP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422705231 309363994 /nfs/dbraw/zinc/36/39/94/309363994.db2.gz BNHCKQITDBSGGU-ZWKOTPCHSA-N 2 2 327.403 3.047 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422751372 309366731 /nfs/dbraw/zinc/36/67/31/309366731.db2.gz FWFXMMQYFRNZBZ-UXHICEINSA-N 2 2 326.440 3.157 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422829669 309370670 /nfs/dbraw/zinc/37/06/70/309370670.db2.gz QFYKKJOBALERQK-VQTJNVASSA-N 2 2 332.488 3.427 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC[C@H]2CCOC2)c1 ZINC000422858576 309372445 /nfs/dbraw/zinc/37/24/45/309372445.db2.gz GNJIWNPFYNIHKD-CVEARBPZSA-N 2 2 341.455 3.069 10 0 EGAELP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422889102 309374521 /nfs/dbraw/zinc/37/45/21/309374521.db2.gz FDILPIPIUAQTLF-INIZCTEOSA-N 3 2 342.487 3.066 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccncc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423011257 309380811 /nfs/dbraw/zinc/38/08/11/309380811.db2.gz IJYFPNCXRJJPOF-WOJBJXKFSA-N 2 2 325.456 3.024 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423061200 309383806 /nfs/dbraw/zinc/38/38/06/309383806.db2.gz KCFCAWCFWVFNQG-SMDDNHRTSA-N 2 2 327.266 3.078 10 0 EGAELP FC1(c2cccc(Cl)c2)CC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423096610 309385680 /nfs/dbraw/zinc/38/56/80/309385680.db2.gz PPLPBOYGELPJAH-JDEYZFBPSA-N 2 2 338.854 3.024 10 0 EGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125895 309387239 /nfs/dbraw/zinc/38/72/39/309387239.db2.gz IIIWNMCXWNKWJE-HNAYVOBHSA-N 2 2 328.431 3.349 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125893 309387291 /nfs/dbraw/zinc/38/72/91/309387291.db2.gz IIIWNMCXWNKWJE-BEFAXECRSA-N 2 2 328.431 3.349 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000423132528 309387598 /nfs/dbraw/zinc/38/75/98/309387598.db2.gz PLTQYGAWGUCASZ-MBNYWOFBSA-N 2 2 341.297 3.201 10 0 EGAELP COCC1(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423140115 309388015 /nfs/dbraw/zinc/38/80/15/309388015.db2.gz XJLFOJCBYGZYFV-OALUTQOASA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147271 309388419 /nfs/dbraw/zinc/38/84/19/309388419.db2.gz ROFQMBXQCBNPGG-AZUAARDMSA-N 2 2 339.483 3.451 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2scnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423155570 309388716 /nfs/dbraw/zinc/38/87/16/309388716.db2.gz QTPVMAOFVQNABB-WMZOPIPTSA-N 2 2 331.485 3.086 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000423229918 309391426 /nfs/dbraw/zinc/39/14/26/309391426.db2.gz IGUWNPWTXPXBEA-LLVKDONJSA-N 2 2 336.361 3.082 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423244999 309392244 /nfs/dbraw/zinc/39/22/44/309392244.db2.gz IHIGKFUMNHSYLZ-RDTXWAMCSA-N 2 2 328.456 3.233 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423244998 309392257 /nfs/dbraw/zinc/39/22/57/309392257.db2.gz IHIGKFUMNHSYLZ-KSSFIOAISA-N 2 2 328.456 3.233 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1Br ZINC000423556125 309406204 /nfs/dbraw/zinc/40/62/04/309406204.db2.gz MLUCSDUIERCDCY-AAEUAGOBSA-N 2 2 327.266 3.250 10 0 EGAELP COC1(C[C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000429417833 309581442 /nfs/dbraw/zinc/58/14/42/309581442.db2.gz HPQWBWVRFMBTMS-SFHVURJKSA-N 2 2 338.536 3.206 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CC4CCC3CC4)c2cc1C ZINC000433064707 309677509 /nfs/dbraw/zinc/67/75/09/309677509.db2.gz CBWGYTKVNBHKPQ-FOIPXRHGSA-N 2 2 327.472 3.182 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552338 310006073 /nfs/dbraw/zinc/00/60/73/310006073.db2.gz UZIDDDAIKWVUDT-SFHVURJKSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552338 310006074 /nfs/dbraw/zinc/00/60/74/310006074.db2.gz UZIDDDAIKWVUDT-SFHVURJKSA-N 2 2 326.488 3.418 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449086158 310036029 /nfs/dbraw/zinc/03/60/29/310036029.db2.gz BAOHKEHNLCOMJX-STZQEDGTSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449086158 310036030 /nfs/dbraw/zinc/03/60/30/310036030.db2.gz BAOHKEHNLCOMJX-STZQEDGTSA-N 3 2 341.543 3.298 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449248965 310047371 /nfs/dbraw/zinc/04/73/71/310047371.db2.gz KGAUOQUTFFJLQW-YLJYHZDGSA-N 2 2 344.499 3.110 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449248965 310047372 /nfs/dbraw/zinc/04/73/72/310047372.db2.gz KGAUOQUTFFJLQW-YLJYHZDGSA-N 2 2 344.499 3.110 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000449249136 310047430 /nfs/dbraw/zinc/04/74/30/310047430.db2.gz KSCMEFMENJVLHW-XLIONFOSSA-N 2 2 342.483 3.388 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393415 310058432 /nfs/dbraw/zinc/05/84/32/310058432.db2.gz BXHDUQFGACPOKL-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393415 310058433 /nfs/dbraw/zinc/05/84/33/310058433.db2.gz BXHDUQFGACPOKL-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451416455 310177201 /nfs/dbraw/zinc/17/72/01/310177201.db2.gz XMMRGYUFZJFQHS-UHFFFAOYSA-N 2 2 340.471 3.061 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453197815 310263651 /nfs/dbraw/zinc/26/36/51/310263651.db2.gz GRRNZMNMSMSPCP-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453197815 310263652 /nfs/dbraw/zinc/26/36/52/310263652.db2.gz GRRNZMNMSMSPCP-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258578 310267526 /nfs/dbraw/zinc/26/75/26/310267526.db2.gz HVMOIPVXZYZYSO-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)c(F)c1 ZINC000453258578 310267527 /nfs/dbraw/zinc/26/75/27/310267527.db2.gz HVMOIPVXZYZYSO-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccsc2S1 ZINC000453275293 310268531 /nfs/dbraw/zinc/26/85/31/310268531.db2.gz WVULGYGDVWKKGG-KCQAQPDRSA-N 2 2 326.531 3.110 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccsc2S1 ZINC000453275293 310268532 /nfs/dbraw/zinc/26/85/32/310268532.db2.gz WVULGYGDVWKKGG-KCQAQPDRSA-N 2 2 326.531 3.110 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668796 310567609 /nfs/dbraw/zinc/56/76/09/310567609.db2.gz UDALYZNCFLWEQH-NSHDSACASA-N 2 2 340.240 3.085 10 0 EGAELP Cc1nc2ccc(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000494356714 311472042 /nfs/dbraw/zinc/47/20/42/311472042.db2.gz FTSUAPWIJOSZTB-ZIAGYGMSSA-N 2 2 333.501 3.194 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)[nH+]c1 ZINC000497411611 311857957 /nfs/dbraw/zinc/85/79/57/311857957.db2.gz QJRAZPHZSPKWJK-YTQUADARSA-N 2 2 329.488 3.235 10 0 EGAELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1Cl ZINC000507793752 312082484 /nfs/dbraw/zinc/08/24/84/312082484.db2.gz KLOLSDIMWVLTNT-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1Cl ZINC000507793752 312082486 /nfs/dbraw/zinc/08/24/86/312082486.db2.gz KLOLSDIMWVLTNT-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727631 312101333 /nfs/dbraw/zinc/10/13/33/312101333.db2.gz SXTZXEDMJZUYLQ-OXQOHEQNSA-N 2 2 327.472 3.428 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727631 312101335 /nfs/dbraw/zinc/10/13/35/312101335.db2.gz SXTZXEDMJZUYLQ-OXQOHEQNSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727631 312101338 /nfs/dbraw/zinc/10/13/38/312101338.db2.gz SXTZXEDMJZUYLQ-OXQOHEQNSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727631 312101340 /nfs/dbraw/zinc/10/13/40/312101340.db2.gz SXTZXEDMJZUYLQ-OXQOHEQNSA-N 2 2 327.472 3.428 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015421 313000174 /nfs/dbraw/zinc/00/01/74/313000174.db2.gz XJTVQKDNTVCXPM-YLJYHZDGSA-N 3 2 345.531 3.295 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(F)cc1OC ZINC000529569258 313358237 /nfs/dbraw/zinc/35/82/37/313358237.db2.gz MOBVNUGZQWEDRC-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(F)cc1OC ZINC000529569258 313358240 /nfs/dbraw/zinc/35/82/40/313358240.db2.gz MOBVNUGZQWEDRC-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)cc1OC ZINC000529569258 313358242 /nfs/dbraw/zinc/35/82/42/313358242.db2.gz MOBVNUGZQWEDRC-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1OC ZINC000529569258 313358245 /nfs/dbraw/zinc/35/82/45/313358245.db2.gz MOBVNUGZQWEDRC-RHSMWYFYSA-N 2 2 336.451 3.149 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217488 313499149 /nfs/dbraw/zinc/49/91/49/313499149.db2.gz TVMJBKUECOKYGA-WOJBJXKFSA-N 2 2 337.467 3.248 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000535316733 314040245 /nfs/dbraw/zinc/04/02/45/314040245.db2.gz SYCVJFFVVSNZMB-AWEZNQCLSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000535316733 314040247 /nfs/dbraw/zinc/04/02/47/314040247.db2.gz SYCVJFFVVSNZMB-AWEZNQCLSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccc(F)cc2)n1 ZINC000538292573 314238154 /nfs/dbraw/zinc/23/81/54/314238154.db2.gz VTPUBTABPLLXON-FQEVSTJZSA-N 2 2 349.413 3.129 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000551795759 315169283 /nfs/dbraw/zinc/16/92/83/315169283.db2.gz RCPOQILEJIBXCB-XPKAMFKHSA-N 2 2 346.515 3.276 10 0 EGAELP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[NH+]1CCOCC1 ZINC000554714456 315344670 /nfs/dbraw/zinc/34/46/70/315344670.db2.gz XUDMSBFFASZMSM-NTCAYCPXSA-N 2 2 342.405 3.421 10 0 EGAELP OC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC000554842393 315351433 /nfs/dbraw/zinc/35/14/33/315351433.db2.gz BBVQHSZZVSSDHM-LEWJYISDSA-N 2 2 336.479 3.159 10 0 EGAELP OC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC000554842393 315351434 /nfs/dbraw/zinc/35/14/34/315351434.db2.gz BBVQHSZZVSSDHM-LEWJYISDSA-N 2 2 336.479 3.159 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000564889995 316226963 /nfs/dbraw/zinc/22/69/63/316226963.db2.gz LLEKKBLYANZODM-QGZVFWFLSA-N 2 2 325.456 3.092 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000565785508 316369854 /nfs/dbraw/zinc/36/98/54/316369854.db2.gz WOODFWOYKGGHNX-UHFFFAOYSA-N 2 2 346.906 3.384 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792643 317108564 /nfs/dbraw/zinc/10/85/64/317108564.db2.gz ZHJIKDGKUKXGNZ-DFQSSKMNSA-N 3 2 329.532 3.265 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792643 317108566 /nfs/dbraw/zinc/10/85/66/317108566.db2.gz ZHJIKDGKUKXGNZ-DFQSSKMNSA-N 3 2 329.532 3.265 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242621 317310836 /nfs/dbraw/zinc/31/08/36/317310836.db2.gz TVQVDXLXMVBFND-MOPGFXCFSA-N 2 2 325.500 3.010 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572242621 317310839 /nfs/dbraw/zinc/31/08/39/317310839.db2.gz TVQVDXLXMVBFND-MOPGFXCFSA-N 2 2 325.500 3.010 10 0 EGAELP Cc1csc([C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000572762991 317388337 /nfs/dbraw/zinc/38/83/37/317388337.db2.gz AFDMLIJPGSAADO-GJZGRUSLSA-N 2 2 344.484 3.130 10 0 EGAELP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381630820 324246676 /nfs/dbraw/zinc/24/66/76/324246676.db2.gz VMFNURUMODFNEY-HOTGVXAUSA-N 2 2 339.524 3.096 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000389275237 324279219 /nfs/dbraw/zinc/27/92/19/324279219.db2.gz SENDVWOKRDCURO-QGZVFWFLSA-N 2 2 345.487 3.168 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000389275237 324279223 /nfs/dbraw/zinc/27/92/23/324279223.db2.gz SENDVWOKRDCURO-QGZVFWFLSA-N 2 2 345.487 3.168 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000579809212 325162023 /nfs/dbraw/zinc/16/20/23/325162023.db2.gz DVUQPUUXVRRJLE-ZOWXZIJZSA-N 2 2 343.393 3.010 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000581662559 325380647 /nfs/dbraw/zinc/38/06/47/325380647.db2.gz ODMFLCPIHJQGKS-GOSISDBHSA-N 2 2 328.456 3.085 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300422974 456783776 /nfs/dbraw/zinc/78/37/76/456783776.db2.gz WCCBKKOFCYTDSO-CZUORRHYSA-N 2 2 325.294 3.454 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300422974 456783783 /nfs/dbraw/zinc/78/37/83/456783783.db2.gz WCCBKKOFCYTDSO-CZUORRHYSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656081 455219016 /nfs/dbraw/zinc/21/90/16/455219016.db2.gz FCNFFYTYUOMFAK-MRXNPFEDSA-N 2 2 334.423 3.186 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000396730461 457481902 /nfs/dbraw/zinc/48/19/02/457481902.db2.gz WLVVUABBLCALRU-WDMOLILDSA-N 2 2 327.266 3.249 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000180720339 455233822 /nfs/dbraw/zinc/23/38/22/455233822.db2.gz CFHCCYSCDRXPBK-LPHOPBHVSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000180720339 455233827 /nfs/dbraw/zinc/23/38/27/455233827.db2.gz CFHCCYSCDRXPBK-LPHOPBHVSA-N 2 2 335.455 3.367 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217167 458719858 /nfs/dbraw/zinc/71/98/58/458719858.db2.gz FMYZOSKASJHPHZ-HUUCEWRRSA-N 2 2 339.252 3.450 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380201 455276855 /nfs/dbraw/zinc/27/68/55/455276855.db2.gz XJWMZUIAMAJBDT-BBRMVZONSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380201 455276861 /nfs/dbraw/zinc/27/68/61/455276861.db2.gz XJWMZUIAMAJBDT-BBRMVZONSA-N 2 2 330.394 3.467 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000190443375 455319009 /nfs/dbraw/zinc/31/90/09/455319009.db2.gz UEPFYZHUNKMPQI-GFCCVEGCSA-N 2 2 338.249 3.395 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245575223 455334342 /nfs/dbraw/zinc/33/43/42/455334342.db2.gz HOVWNMZFYVOKJM-MSOLQXFVSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245575223 455334344 /nfs/dbraw/zinc/33/43/44/455334344.db2.gz HOVWNMZFYVOKJM-MSOLQXFVSA-N 2 2 334.508 3.195 10 0 EGAELP C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000631880630 460586142 /nfs/dbraw/zinc/58/61/42/460586142.db2.gz ZQLDUVMMACKGIL-CVEARBPZSA-N 2 2 328.378 3.005 10 0 EGAELP C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000631880630 460586147 /nfs/dbraw/zinc/58/61/47/460586147.db2.gz ZQLDUVMMACKGIL-CVEARBPZSA-N 2 2 328.378 3.005 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511291 460588541 /nfs/dbraw/zinc/58/85/41/460588541.db2.gz IWFHHBOGFQRTDW-YPMHNXCESA-N 2 2 326.282 3.368 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511291 460588546 /nfs/dbraw/zinc/58/85/46/460588546.db2.gz IWFHHBOGFQRTDW-YPMHNXCESA-N 2 2 326.282 3.368 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000245687257 455355178 /nfs/dbraw/zinc/35/51/78/455355178.db2.gz AJYFKGFAOGONCL-WBVHZDCISA-N 2 2 329.444 3.374 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000245687257 455355183 /nfs/dbraw/zinc/35/51/83/455355183.db2.gz AJYFKGFAOGONCL-WBVHZDCISA-N 2 2 329.444 3.374 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084014053 453965642 /nfs/dbraw/zinc/96/56/42/453965642.db2.gz HHZHNMIEPOIWIK-LJQANCHMSA-N 2 2 349.482 3.412 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2ccc(-n3cccn3)nc2)n1-c1ccccc1 ZINC000084013989 453965719 /nfs/dbraw/zinc/96/57/19/453965719.db2.gz MFILFDRWQYUURA-UHFFFAOYSA-N 2 2 344.422 3.051 10 0 EGAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)nc3sc(C)cn13)CCC2 ZINC000089702102 454179922 /nfs/dbraw/zinc/17/99/22/454179922.db2.gz NYVPUOSRVAAFOF-AWEZNQCLSA-N 2 2 329.473 3.185 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@@H+]1Cc1ccccc1 ZINC000095419490 454206978 /nfs/dbraw/zinc/20/69/78/454206978.db2.gz IJOAVGIIMHUCIW-QFBILLFUSA-N 2 2 338.451 3.210 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@H+]1Cc1ccccc1 ZINC000095419490 454206980 /nfs/dbraw/zinc/20/69/80/454206980.db2.gz IJOAVGIIMHUCIW-QFBILLFUSA-N 2 2 338.451 3.210 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131798575 454287126 /nfs/dbraw/zinc/28/71/26/454287126.db2.gz ZCWHUSGZTMLQQY-LRDDRELGSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131798575 454287132 /nfs/dbraw/zinc/28/71/32/454287132.db2.gz ZCWHUSGZTMLQQY-LRDDRELGSA-N 2 2 338.908 3.308 10 0 EGAELP COc1cccc(C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CC2)c1 ZINC000121037846 454381214 /nfs/dbraw/zinc/38/12/14/454381214.db2.gz SEHWDNJKYIPIMT-HXUWFJFHSA-N 2 2 348.450 3.387 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000091672709 454455058 /nfs/dbraw/zinc/45/50/58/454455058.db2.gz KUVCZUDMPUJBML-CRAIPNDOSA-N 2 2 347.890 3.251 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000091672709 454455064 /nfs/dbraw/zinc/45/50/64/454455064.db2.gz KUVCZUDMPUJBML-CRAIPNDOSA-N 2 2 347.890 3.251 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675910 454456789 /nfs/dbraw/zinc/45/67/89/454456789.db2.gz JQZMGZKSDRNPIO-PBHICJAKSA-N 2 2 335.879 3.107 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675910 454456793 /nfs/dbraw/zinc/45/67/93/454456793.db2.gz JQZMGZKSDRNPIO-PBHICJAKSA-N 2 2 335.879 3.107 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675910 454456797 /nfs/dbraw/zinc/45/67/97/454456797.db2.gz JQZMGZKSDRNPIO-PBHICJAKSA-N 2 2 335.879 3.107 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675910 454456801 /nfs/dbraw/zinc/45/68/01/454456801.db2.gz JQZMGZKSDRNPIO-PBHICJAKSA-N 2 2 335.879 3.107 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182198139 455458942 /nfs/dbraw/zinc/45/89/42/455458942.db2.gz JYRQIIHSKIWEMF-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182198139 455458945 /nfs/dbraw/zinc/45/89/45/455458945.db2.gz JYRQIIHSKIWEMF-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182198139 455458950 /nfs/dbraw/zinc/45/89/50/455458950.db2.gz JYRQIIHSKIWEMF-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182198139 455458953 /nfs/dbraw/zinc/45/89/53/455458953.db2.gz JYRQIIHSKIWEMF-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1(C)C ZINC000623615697 460641970 /nfs/dbraw/zinc/64/19/70/460641970.db2.gz QGQBORGSTUMMTL-IIAWOOMASA-N 2 2 342.405 3.383 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1(C)C ZINC000623615697 460641975 /nfs/dbraw/zinc/64/19/75/460641975.db2.gz QGQBORGSTUMMTL-IIAWOOMASA-N 2 2 342.405 3.383 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564103 454587299 /nfs/dbraw/zinc/58/72/99/454587299.db2.gz VFCKKUXHPWCCPQ-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564103 454587302 /nfs/dbraw/zinc/58/73/02/454587302.db2.gz VFCKKUXHPWCCPQ-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP CC(C)c1nsc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000092657959 454602549 /nfs/dbraw/zinc/60/25/49/454602549.db2.gz WWWDJTINSGBFNL-UHFFFAOYSA-N 2 2 337.537 3.024 10 0 EGAELP C[N@H+](CCc1ccccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863588 454661276 /nfs/dbraw/zinc/66/12/76/454661276.db2.gz DRVNVVKSSPBIIJ-UHFFFAOYSA-N 2 2 346.906 3.175 10 0 EGAELP C[N@@H+](CCc1ccccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863588 454661282 /nfs/dbraw/zinc/66/12/82/454661282.db2.gz DRVNVVKSSPBIIJ-UHFFFAOYSA-N 2 2 346.906 3.175 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000105904161 454669342 /nfs/dbraw/zinc/66/93/42/454669342.db2.gz JMIIOALKBUQVIM-QGZVFWFLSA-N 2 2 326.444 3.111 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000105904161 454669347 /nfs/dbraw/zinc/66/93/47/454669347.db2.gz JMIIOALKBUQVIM-QGZVFWFLSA-N 2 2 326.444 3.111 10 0 EGAELP CN(C)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016709 454671970 /nfs/dbraw/zinc/67/19/70/454671970.db2.gz BXFATSFDCJKBAM-MRXNPFEDSA-N 2 2 336.549 3.297 10 0 EGAELP CN(C)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016709 454671973 /nfs/dbraw/zinc/67/19/73/454671973.db2.gz BXFATSFDCJKBAM-MRXNPFEDSA-N 2 2 336.549 3.297 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000135449911 454678339 /nfs/dbraw/zinc/67/83/39/454678339.db2.gz FJAFBPOIJCPKSG-MRXNPFEDSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000135449911 454678343 /nfs/dbraw/zinc/67/83/43/454678343.db2.gz FJAFBPOIJCPKSG-MRXNPFEDSA-N 2 2 345.418 3.208 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147614 454688578 /nfs/dbraw/zinc/68/85/78/454688578.db2.gz FEKWHBABNJBJOM-ZIFCJYIRSA-N 2 2 331.504 3.005 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093147614 454688581 /nfs/dbraw/zinc/68/85/81/454688581.db2.gz FEKWHBABNJBJOM-ZIFCJYIRSA-N 2 2 331.504 3.005 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000136218803 454730570 /nfs/dbraw/zinc/73/05/70/454730570.db2.gz CUNXZRRHKAJIMT-UHFFFAOYSA-N 2 2 341.293 3.423 10 0 EGAELP CCCC[C@H](CC)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154204955 454874147 /nfs/dbraw/zinc/87/41/47/454874147.db2.gz ZUZJOXKIRFPNAO-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCC[C@H](CC)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154204955 454874153 /nfs/dbraw/zinc/87/41/53/454874153.db2.gz ZUZJOXKIRFPNAO-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150794479 454893839 /nfs/dbraw/zinc/89/38/39/454893839.db2.gz DVBCSQNWJBCQHA-JKSUJKDBSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150794479 454893841 /nfs/dbraw/zinc/89/38/41/454893841.db2.gz DVBCSQNWJBCQHA-JKSUJKDBSA-N 2 2 326.444 3.215 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1O ZINC000178010703 454926104 /nfs/dbraw/zinc/92/61/04/454926104.db2.gz XPEWUQWJOBRTRT-CRAIPNDOSA-N 2 2 326.440 3.153 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000178010703 454926107 /nfs/dbraw/zinc/92/61/07/454926107.db2.gz XPEWUQWJOBRTRT-CRAIPNDOSA-N 2 2 326.440 3.153 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287788 454963643 /nfs/dbraw/zinc/96/36/43/454963643.db2.gz WQYKNPMNJPQUNI-ZBFHGGJFSA-N 2 2 340.920 3.313 10 0 EGAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000151316198 454968345 /nfs/dbraw/zinc/96/83/45/454968345.db2.gz JKPIWFVVRXPSBP-HOCLYGCPSA-N 2 2 342.430 3.176 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000178754601 454972636 /nfs/dbraw/zinc/97/26/36/454972636.db2.gz GIUUUTVZOVLYRK-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000178754601 454972638 /nfs/dbraw/zinc/97/26/38/454972638.db2.gz GIUUUTVZOVLYRK-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000151477986 454990545 /nfs/dbraw/zinc/99/05/45/454990545.db2.gz BLQIYZFJFDWFMU-GFCCVEGCSA-N 2 2 327.457 3.445 10 0 EGAELP Clc1ccc2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2c1 ZINC000170872099 454991316 /nfs/dbraw/zinc/99/13/16/454991316.db2.gz HPORQFAQRHSDLR-AWEZNQCLSA-N 2 2 341.846 3.317 10 0 EGAELP Clc1ccc2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2c1 ZINC000170872099 454991318 /nfs/dbraw/zinc/99/13/18/454991318.db2.gz HPORQFAQRHSDLR-AWEZNQCLSA-N 2 2 341.846 3.317 10 0 EGAELP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151533812 454998008 /nfs/dbraw/zinc/99/80/08/454998008.db2.gz QPUKBAYRDJEFJR-IBGZPJMESA-N 2 2 334.423 3.443 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000180166064 455142589 /nfs/dbraw/zinc/14/25/89/455142589.db2.gz VNCSVFYYUBWTNR-PXNSSMCTSA-N 2 2 337.471 3.228 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000245425368 455295260 /nfs/dbraw/zinc/29/52/60/455295260.db2.gz KQMIGJZGFBLYFS-SCTDSRPQSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000245425368 455295262 /nfs/dbraw/zinc/29/52/62/455295262.db2.gz KQMIGJZGFBLYFS-SCTDSRPQSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000245425368 455295263 /nfs/dbraw/zinc/29/52/63/455295263.db2.gz KQMIGJZGFBLYFS-SCTDSRPQSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000245425368 455295265 /nfs/dbraw/zinc/29/52/65/455295265.db2.gz KQMIGJZGFBLYFS-SCTDSRPQSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442835 455301936 /nfs/dbraw/zinc/30/19/36/455301936.db2.gz WQOOBZASDMYVRL-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442835 455301940 /nfs/dbraw/zinc/30/19/40/455301940.db2.gz WQOOBZASDMYVRL-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442835 455301944 /nfs/dbraw/zinc/30/19/44/455301944.db2.gz WQOOBZASDMYVRL-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442835 455301948 /nfs/dbraw/zinc/30/19/48/455301948.db2.gz WQOOBZASDMYVRL-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cc(Cl)ccc1F ZINC000265464922 455330035 /nfs/dbraw/zinc/33/00/35/455330035.db2.gz GMYKDDBQUJXKGG-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000181475541 455339452 /nfs/dbraw/zinc/33/94/52/455339452.db2.gz VHBOCHJGPARNCC-SJORKVTESA-N 2 2 328.460 3.197 10 0 EGAELP CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCC2 ZINC000181475818 455339571 /nfs/dbraw/zinc/33/95/71/455339571.db2.gz YWUSVYSWEISGEW-SJORKVTESA-N 2 2 326.444 3.095 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000245849551 455384940 /nfs/dbraw/zinc/38/49/40/455384940.db2.gz GEBIHVWGXSURTG-RDTXWAMCSA-N 2 2 330.863 3.130 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000245849551 455384947 /nfs/dbraw/zinc/38/49/47/455384947.db2.gz GEBIHVWGXSURTG-RDTXWAMCSA-N 2 2 330.863 3.130 10 0 EGAELP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000245856503 455386448 /nfs/dbraw/zinc/38/64/48/455386448.db2.gz NOYUNUBOSUCAOD-GOEBONIOSA-N 2 2 327.453 3.484 10 0 EGAELP O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000245856503 455386453 /nfs/dbraw/zinc/38/64/53/455386453.db2.gz NOYUNUBOSUCAOD-GOEBONIOSA-N 2 2 327.453 3.484 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000246095191 455425156 /nfs/dbraw/zinc/42/51/56/455425156.db2.gz IXCGMTRWRSMMBF-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000246095191 455425164 /nfs/dbraw/zinc/42/51/64/455425164.db2.gz IXCGMTRWRSMMBF-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC(F)F)c1 ZINC000246095191 455425170 /nfs/dbraw/zinc/42/51/70/455425170.db2.gz IXCGMTRWRSMMBF-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(OC(F)F)c1 ZINC000246095191 455425173 /nfs/dbraw/zinc/42/51/73/455425173.db2.gz IXCGMTRWRSMMBF-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246815764 455527648 /nfs/dbraw/zinc/52/76/48/455527648.db2.gz ADIDFOSDLSCFLK-SGYMCOKNSA-N 2 2 346.519 3.095 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246815764 455527653 /nfs/dbraw/zinc/52/76/53/455527653.db2.gz ADIDFOSDLSCFLK-SGYMCOKNSA-N 2 2 346.519 3.095 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000247023657 455545203 /nfs/dbraw/zinc/54/52/03/455545203.db2.gz YANPHYROKPOWDW-SUMWQHHRSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000247023657 455545211 /nfs/dbraw/zinc/54/52/11/455545211.db2.gz YANPHYROKPOWDW-SUMWQHHRSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000247023657 455545218 /nfs/dbraw/zinc/54/52/18/455545218.db2.gz YANPHYROKPOWDW-SUMWQHHRSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000247023657 455545222 /nfs/dbraw/zinc/54/52/22/455545222.db2.gz YANPHYROKPOWDW-SUMWQHHRSA-N 2 2 329.419 3.416 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230213 455602511 /nfs/dbraw/zinc/60/25/11/455602511.db2.gz VSRRYYWGCQVNOZ-OXQOHEQNSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230213 455602515 /nfs/dbraw/zinc/60/25/15/455602515.db2.gz VSRRYYWGCQVNOZ-OXQOHEQNSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292230213 455602520 /nfs/dbraw/zinc/60/25/20/455602520.db2.gz VSRRYYWGCQVNOZ-OXQOHEQNSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292230213 455602522 /nfs/dbraw/zinc/60/25/22/455602522.db2.gz VSRRYYWGCQVNOZ-OXQOHEQNSA-N 2 2 329.488 3.166 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434471 455662428 /nfs/dbraw/zinc/66/24/28/455662428.db2.gz MMKVYDHOGCQOHV-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434471 455662431 /nfs/dbraw/zinc/66/24/31/455662431.db2.gz MMKVYDHOGCQOHV-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434471 455662435 /nfs/dbraw/zinc/66/24/35/455662435.db2.gz MMKVYDHOGCQOHV-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434471 455662440 /nfs/dbraw/zinc/66/24/40/455662440.db2.gz MMKVYDHOGCQOHV-CTNGQTDRSA-N 2 2 336.483 3.272 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001328 455668689 /nfs/dbraw/zinc/66/86/89/455668689.db2.gz KLBWETPKKCXPFV-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001328 455668692 /nfs/dbraw/zinc/66/86/92/455668692.db2.gz KLBWETPKKCXPFV-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248001328 455668695 /nfs/dbraw/zinc/66/86/95/455668695.db2.gz KLBWETPKKCXPFV-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248001328 455668699 /nfs/dbraw/zinc/66/86/99/455668699.db2.gz KLBWETPKKCXPFV-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313579 455748283 /nfs/dbraw/zinc/74/82/83/455748283.db2.gz FBIQCQSSTATGNH-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313579 455748286 /nfs/dbraw/zinc/74/82/86/455748286.db2.gz FBIQCQSSTATGNH-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313579 455748289 /nfs/dbraw/zinc/74/82/89/455748289.db2.gz FBIQCQSSTATGNH-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3F)no2)[C@@H](C)C1 ZINC000249313579 455748292 /nfs/dbraw/zinc/74/82/92/455748292.db2.gz FBIQCQSSTATGNH-BBRMVZONSA-N 2 2 332.423 3.038 10 0 EGAELP O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606583987 460703220 /nfs/dbraw/zinc/70/32/20/460703220.db2.gz WKVJQOHUWXFGLN-UHFFFAOYSA-N 2 2 349.438 3.252 10 0 EGAELP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261885278 455965054 /nfs/dbraw/zinc/96/50/54/455965054.db2.gz RVZNGOOYOWWULT-INIZCTEOSA-N 2 2 344.286 3.253 10 0 EGAELP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261885278 455965056 /nfs/dbraw/zinc/96/50/56/455965056.db2.gz RVZNGOOYOWWULT-INIZCTEOSA-N 2 2 344.286 3.253 10 0 EGAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2csc3ccccc23)CC1 ZINC000272517423 455979752 /nfs/dbraw/zinc/97/97/52/455979752.db2.gz XVEIVSHZBZXNQK-UHFFFAOYSA-N 2 2 346.500 3.049 10 0 EGAELP CCC[N@@H+]1CCCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000301405772 456108642 /nfs/dbraw/zinc/10/86/42/456108642.db2.gz UMIZMTHUIDKRTN-UHFFFAOYSA-N 2 2 341.455 3.334 10 0 EGAELP CCC[N@H+]1CCCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000301405772 456108646 /nfs/dbraw/zinc/10/86/46/456108646.db2.gz UMIZMTHUIDKRTN-UHFFFAOYSA-N 2 2 341.455 3.334 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161573 456149762 /nfs/dbraw/zinc/14/97/62/456149762.db2.gz AXQZPDTZIYBNAS-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161573 456149765 /nfs/dbraw/zinc/14/97/65/456149765.db2.gz AXQZPDTZIYBNAS-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161573 456149770 /nfs/dbraw/zinc/14/97/70/456149770.db2.gz AXQZPDTZIYBNAS-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000271161573 456149773 /nfs/dbraw/zinc/14/97/73/456149773.db2.gz AXQZPDTZIYBNAS-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000281288341 456189763 /nfs/dbraw/zinc/18/97/63/456189763.db2.gz QHXRCLPXWCPECF-QGZVFWFLSA-N 2 2 338.386 3.192 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402954 456211005 /nfs/dbraw/zinc/21/10/05/456211005.db2.gz SQMQTHJKMWYQMU-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402954 456211011 /nfs/dbraw/zinc/21/10/11/456211011.db2.gz SQMQTHJKMWYQMU-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000340290195 456366224 /nfs/dbraw/zinc/36/62/24/456366224.db2.gz XDBLYSXMDZHDRH-ZWKOTPCHSA-N 2 2 325.447 3.032 10 0 EGAELP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000340290195 456366229 /nfs/dbraw/zinc/36/62/29/456366229.db2.gz XDBLYSXMDZHDRH-ZWKOTPCHSA-N 2 2 325.447 3.032 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000340334244 456396598 /nfs/dbraw/zinc/39/65/98/456396598.db2.gz IIJNHPHRDJDMGM-UHFFFAOYSA-N 2 2 339.483 3.333 10 0 EGAELP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040591 456396671 /nfs/dbraw/zinc/39/66/71/456396671.db2.gz LLOJTLGKJFJRQZ-QUCCMNQESA-N 2 2 339.483 3.002 10 0 EGAELP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040591 456396676 /nfs/dbraw/zinc/39/66/76/456396676.db2.gz LLOJTLGKJFJRQZ-QUCCMNQESA-N 2 2 339.483 3.002 10 0 EGAELP c1cnn(CCCCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282118170 456417571 /nfs/dbraw/zinc/41/75/71/456417571.db2.gz QJWXCCJJZKALFN-GOSISDBHSA-N 2 2 341.503 3.466 10 0 EGAELP c1cnn(CCCCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282118170 456417574 /nfs/dbraw/zinc/41/75/74/456417574.db2.gz QJWXCCJJZKALFN-GOSISDBHSA-N 2 2 341.503 3.466 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054227 456512129 /nfs/dbraw/zinc/51/21/29/456512129.db2.gz CJVXXKGRESCLRC-MAZHCROVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054227 456512131 /nfs/dbraw/zinc/51/21/31/456512131.db2.gz CJVXXKGRESCLRC-MAZHCROVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054227 456512135 /nfs/dbraw/zinc/51/21/35/456512135.db2.gz CJVXXKGRESCLRC-MAZHCROVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054227 456512136 /nfs/dbraw/zinc/51/21/36/456512136.db2.gz CJVXXKGRESCLRC-MAZHCROVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000657796803 462272687 /nfs/dbraw/zinc/27/26/87/462272687.db2.gz ICFBARWRHJSCFQ-HKUYNNGSSA-N 2 2 343.515 3.065 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000657796803 462272691 /nfs/dbraw/zinc/27/26/91/462272691.db2.gz ICFBARWRHJSCFQ-HKUYNNGSSA-N 2 2 343.515 3.065 10 0 EGAELP C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000353143063 456518840 /nfs/dbraw/zinc/51/88/40/456518840.db2.gz SWXFEGCJNTYCNH-QHCPKHFHSA-N 2 2 345.493 3.102 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000337804835 456558096 /nfs/dbraw/zinc/55/80/96/456558096.db2.gz KAMFVZOEQYWENN-GOSISDBHSA-N 2 2 336.483 3.489 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000337804835 456558098 /nfs/dbraw/zinc/55/80/98/456558098.db2.gz KAMFVZOEQYWENN-GOSISDBHSA-N 2 2 336.483 3.489 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348320035 456620469 /nfs/dbraw/zinc/62/04/69/456620469.db2.gz QGQKMCKXWTWARU-KBPBESRZSA-N 2 2 335.411 3.150 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207296 456663063 /nfs/dbraw/zinc/66/30/63/456663063.db2.gz OMMAKQJNPPUZIC-QZTJIDSGSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207296 456663069 /nfs/dbraw/zinc/66/30/69/456663069.db2.gz OMMAKQJNPPUZIC-QZTJIDSGSA-N 2 2 329.488 3.014 10 0 EGAELP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236329 456663663 /nfs/dbraw/zinc/66/36/63/456663663.db2.gz WUJBXTIHQSNBDQ-MAUKXSAKSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236329 456663667 /nfs/dbraw/zinc/66/36/67/456663667.db2.gz WUJBXTIHQSNBDQ-MAUKXSAKSA-N 2 2 329.419 3.445 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343507446 456667784 /nfs/dbraw/zinc/66/77/84/456667784.db2.gz XZXOZNRWPQIMSS-GUDVDZBRSA-N 2 2 331.504 3.117 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343507446 456667791 /nfs/dbraw/zinc/66/77/91/456667791.db2.gz XZXOZNRWPQIMSS-GUDVDZBRSA-N 2 2 331.504 3.117 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324625550 456671241 /nfs/dbraw/zinc/67/12/41/456671241.db2.gz PCOWOHISPIJESQ-MJGOQNOKSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324625550 456671248 /nfs/dbraw/zinc/67/12/48/456671248.db2.gz PCOWOHISPIJESQ-MJGOQNOKSA-N 2 2 329.488 3.213 10 0 EGAELP c1nn2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645587 456798287 /nfs/dbraw/zinc/79/82/87/456798287.db2.gz OJDVKTBUYHLNFD-JOCHJYFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645587 456798293 /nfs/dbraw/zinc/79/82/93/456798293.db2.gz OJDVKTBUYHLNFD-JOCHJYFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348645587 456798296 /nfs/dbraw/zinc/79/82/96/456798296.db2.gz OJDVKTBUYHLNFD-JOCHJYFZSA-N 2 2 346.478 3.432 10 0 EGAELP c1nn2ccccc2c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348645587 456798301 /nfs/dbraw/zinc/79/83/01/456798301.db2.gz OJDVKTBUYHLNFD-JOCHJYFZSA-N 2 2 346.478 3.432 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042302 456837781 /nfs/dbraw/zinc/83/77/81/456837781.db2.gz APCNKSYOPDIVFP-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042302 456837784 /nfs/dbraw/zinc/83/77/84/456837784.db2.gz APCNKSYOPDIVFP-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042302 456837789 /nfs/dbraw/zinc/83/77/89/456837789.db2.gz APCNKSYOPDIVFP-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292042302 456837791 /nfs/dbraw/zinc/83/77/91/456837791.db2.gz APCNKSYOPDIVFP-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Cl ZINC000349358658 456951778 /nfs/dbraw/zinc/95/17/78/456951778.db2.gz YEFFAHKUSBCWLO-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Cl ZINC000349358658 456951783 /nfs/dbraw/zinc/95/17/83/456951783.db2.gz YEFFAHKUSBCWLO-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Cl ZINC000349358658 456951787 /nfs/dbraw/zinc/95/17/87/456951787.db2.gz YEFFAHKUSBCWLO-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Cl ZINC000349358658 456951791 /nfs/dbraw/zinc/95/17/91/456951791.db2.gz YEFFAHKUSBCWLO-DFNIBXOVSA-N 2 2 347.934 3.391 10 0 EGAELP CC(C)c1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000349387836 456961034 /nfs/dbraw/zinc/96/10/34/456961034.db2.gz WZMQVBNYJGNZKB-SJPCQFCGSA-N 2 2 348.560 3.009 10 0 EGAELP CC(C)c1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000349387836 456961037 /nfs/dbraw/zinc/96/10/37/456961037.db2.gz WZMQVBNYJGNZKB-SJPCQFCGSA-N 2 2 348.560 3.009 10 0 EGAELP CC(C)[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341912376 456997291 /nfs/dbraw/zinc/99/72/91/456997291.db2.gz QEYRSEMXIIZOPO-NRFANRHFSA-N 2 2 346.515 3.167 10 0 EGAELP CC(C)[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341912376 456997293 /nfs/dbraw/zinc/99/72/93/456997293.db2.gz QEYRSEMXIIZOPO-NRFANRHFSA-N 2 2 346.515 3.167 10 0 EGAELP CC(C)[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341912376 456997296 /nfs/dbraw/zinc/99/72/96/456997296.db2.gz QEYRSEMXIIZOPO-NRFANRHFSA-N 2 2 346.515 3.167 10 0 EGAELP CC(C)[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341912376 456997298 /nfs/dbraw/zinc/99/72/98/456997298.db2.gz QEYRSEMXIIZOPO-NRFANRHFSA-N 2 2 346.515 3.167 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1C ZINC000341973504 457034647 /nfs/dbraw/zinc/03/46/47/457034647.db2.gz QFANFVWHNXAWNK-IBGZPJMESA-N 2 2 339.483 3.066 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1C ZINC000341973504 457034652 /nfs/dbraw/zinc/03/46/52/457034652.db2.gz QFANFVWHNXAWNK-IBGZPJMESA-N 2 2 339.483 3.066 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106954 457067519 /nfs/dbraw/zinc/06/75/19/457067519.db2.gz NBSPIPZHDDAKSB-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106954 457067524 /nfs/dbraw/zinc/06/75/24/457067524.db2.gz NBSPIPZHDDAKSB-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106954 457067531 /nfs/dbraw/zinc/06/75/31/457067531.db2.gz NBSPIPZHDDAKSB-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000354106954 457067537 /nfs/dbraw/zinc/06/75/37/457067537.db2.gz NBSPIPZHDDAKSB-INIZCTEOSA-N 2 2 342.512 3.369 10 0 EGAELP Cc1cccn2c(C[NH2+]CCc3cccc(C(F)(F)F)n3)c[nH+]c12 ZINC000339411060 457099629 /nfs/dbraw/zinc/09/96/29/457099629.db2.gz FCPBHWQPUASYMR-UHFFFAOYSA-N 2 2 334.345 3.389 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270904 457322918 /nfs/dbraw/zinc/32/29/18/457322918.db2.gz BEWJRXZRXHXELZ-DJIMGWMZSA-N 2 2 344.421 3.454 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000347270904 457322923 /nfs/dbraw/zinc/32/29/23/457322923.db2.gz BEWJRXZRXHXELZ-DJIMGWMZSA-N 2 2 344.421 3.454 10 0 EGAELP Cn1cc[nH+]c1CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000347327528 457354108 /nfs/dbraw/zinc/35/41/08/457354108.db2.gz AUMRGRPVQDXLTI-GOSISDBHSA-N 2 2 348.441 3.404 10 0 EGAELP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893447 457413009 /nfs/dbraw/zinc/41/30/09/457413009.db2.gz DTNJGDPTKALYLI-UXHICEINSA-N 2 2 345.531 3.306 10 0 EGAELP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893447 457413016 /nfs/dbraw/zinc/41/30/16/457413016.db2.gz DTNJGDPTKALYLI-UXHICEINSA-N 2 2 345.531 3.306 10 0 EGAELP CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000360916851 457431252 /nfs/dbraw/zinc/43/12/52/457431252.db2.gz BFBHOCOWHQBDIW-UZLBHIALSA-N 2 2 348.450 3.400 10 0 EGAELP C[S@@](=O)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000360972436 457479451 /nfs/dbraw/zinc/47/94/51/457479451.db2.gz ACJNBECKYUUEBH-UZUQRXQVSA-N 2 2 345.493 3.143 10 0 EGAELP CS[C@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000425363756 457520077 /nfs/dbraw/zinc/52/00/77/457520077.db2.gz YAVOLEBIGIDKBX-UXHICEINSA-N 2 2 347.572 3.068 10 0 EGAELP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374201103 457521039 /nfs/dbraw/zinc/52/10/39/457521039.db2.gz TYWCSLLMEOYYHW-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)c[nH+]1 ZINC000361058021 457550996 /nfs/dbraw/zinc/55/09/96/457550996.db2.gz OGGWAUCTPGWBFA-UHFFFAOYSA-N 2 2 327.403 3.347 10 0 EGAELP CCOc1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)nn1CC(C)C ZINC000370123214 457553504 /nfs/dbraw/zinc/55/35/04/457553504.db2.gz RIMZXMNXMDBOPQ-UHFFFAOYSA-N 2 2 348.535 3.353 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361295364 457682818 /nfs/dbraw/zinc/68/28/18/457682818.db2.gz JOLHYMSSSDNINA-GOSISDBHSA-N 3 2 328.504 3.399 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361295364 457682822 /nfs/dbraw/zinc/68/28/22/457682822.db2.gz JOLHYMSSSDNINA-GOSISDBHSA-N 3 2 328.504 3.399 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](C4CCC4)CC3)c(C)n2n1 ZINC000357791059 457690934 /nfs/dbraw/zinc/69/09/34/457690934.db2.gz HSDGXTIJAVGQND-AWEZNQCLSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCSC[C@H]1CCO ZINC000361319710 457691587 /nfs/dbraw/zinc/69/15/87/457691587.db2.gz WKZSUVYQEFFJRO-QGZVFWFLSA-N 2 2 347.528 3.315 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000368100853 458010980 /nfs/dbraw/zinc/01/09/80/458010980.db2.gz INYJAUYWGOLNHU-RISCZKNCSA-N 2 2 337.345 3.443 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000368100853 458010982 /nfs/dbraw/zinc/01/09/82/458010982.db2.gz INYJAUYWGOLNHU-RISCZKNCSA-N 2 2 337.345 3.443 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)cc1 ZINC000434986967 458074765 /nfs/dbraw/zinc/07/47/65/458074765.db2.gz RCQRJSDFVAIFFL-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+](Cc2ccccc2)C1 ZINC000434988435 458075837 /nfs/dbraw/zinc/07/58/37/458075837.db2.gz SEBUVYNVWGECQV-AZUAARDMSA-N 2 2 342.527 3.429 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000434988435 458075843 /nfs/dbraw/zinc/07/58/43/458075843.db2.gz SEBUVYNVWGECQV-AZUAARDMSA-N 2 2 342.527 3.429 10 0 EGAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)on1 ZINC000376075176 458185738 /nfs/dbraw/zinc/18/57/38/458185738.db2.gz UMCYEDVEDYYHMQ-UHFFFAOYSA-N 2 2 333.863 3.433 10 0 EGAELP COCC[C@@H]1CCCC[NH+](CC[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000372103050 458194743 /nfs/dbraw/zinc/19/47/43/458194743.db2.gz QDZQPZFMAWJZIU-PMACEKPBSA-N 2 2 340.552 3.264 10 0 EGAELP COCC[C@@H]1CCCC[NH+](CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000372103050 458194749 /nfs/dbraw/zinc/19/47/49/458194749.db2.gz QDZQPZFMAWJZIU-PMACEKPBSA-N 2 2 340.552 3.264 10 0 EGAELP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC(F)F ZINC000369538290 458254741 /nfs/dbraw/zinc/25/47/41/458254741.db2.gz YTMOIWAINAAVFM-UHFFFAOYSA-N 2 2 340.414 3.403 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000436299267 458285025 /nfs/dbraw/zinc/28/50/25/458285025.db2.gz ROJUIHGIXUQHAO-OQIJWPOYSA-N 2 2 330.472 3.143 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000436299267 458285029 /nfs/dbraw/zinc/28/50/29/458285029.db2.gz ROJUIHGIXUQHAO-OQIJWPOYSA-N 2 2 330.472 3.143 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)n2c1CCCC2 ZINC000459524160 458399629 /nfs/dbraw/zinc/39/96/29/458399629.db2.gz HOBAHOTURGELLY-QGZVFWFLSA-N 2 2 337.471 3.266 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)n2c1CCCC2 ZINC000459524160 458399631 /nfs/dbraw/zinc/39/96/31/458399631.db2.gz HOBAHOTURGELLY-QGZVFWFLSA-N 2 2 337.471 3.266 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423521193 458450190 /nfs/dbraw/zinc/45/01/90/458450190.db2.gz FZOPHZQTXWEQAR-RTBURBONSA-N 3 2 329.532 3.394 10 0 EGAELP CCOc1c(OC)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000377230677 458493335 /nfs/dbraw/zinc/49/33/35/458493335.db2.gz DTWHHTSAELGWIV-UHFFFAOYSA-N 2 2 345.443 3.205 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486108 458505855 /nfs/dbraw/zinc/50/58/55/458505855.db2.gz QNORORVPMJTYNX-KZYLPZIUSA-N 3 2 345.453 3.008 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486108 458505856 /nfs/dbraw/zinc/50/58/56/458505856.db2.gz QNORORVPMJTYNX-KZYLPZIUSA-N 3 2 345.453 3.008 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273482 458600565 /nfs/dbraw/zinc/60/05/65/458600565.db2.gz WZAIKBGVWONWNN-QGLKVJOYSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273482 458600571 /nfs/dbraw/zinc/60/05/71/458600571.db2.gz WZAIKBGVWONWNN-QGLKVJOYSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273481 458601363 /nfs/dbraw/zinc/60/13/63/458601363.db2.gz WZAIKBGVWONWNN-HGJUEJDCSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273481 458601367 /nfs/dbraw/zinc/60/13/67/458601367.db2.gz WZAIKBGVWONWNN-HGJUEJDCSA-N 2 2 328.500 3.444 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022977 458656232 /nfs/dbraw/zinc/65/62/32/458656232.db2.gz QHWNKYPSTPERHA-ZWKOTPCHSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022977 458656240 /nfs/dbraw/zinc/65/62/40/458656240.db2.gz QHWNKYPSTPERHA-ZWKOTPCHSA-N 2 2 349.906 3.076 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530217861 458719699 /nfs/dbraw/zinc/71/96/99/458719699.db2.gz HRVYVMYPNMHBMT-IAQYHMDHSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)CCCO1 ZINC000432356253 458723460 /nfs/dbraw/zinc/72/34/60/458723460.db2.gz HXSISTGKUCBYME-QGZVFWFLSA-N 2 2 332.488 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)CCCO1 ZINC000432356253 458723466 /nfs/dbraw/zinc/72/34/66/458723466.db2.gz HXSISTGKUCBYME-QGZVFWFLSA-N 2 2 332.488 3.066 10 0 EGAELP O=C(Nc1ccccc1)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000495188708 458808997 /nfs/dbraw/zinc/80/89/97/458808997.db2.gz GMLMKCMHXPCISH-UHFFFAOYSA-N 2 2 332.407 3.133 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)Cc1ccccc1 ZINC000474032418 458855741 /nfs/dbraw/zinc/85/57/41/458855741.db2.gz JCFZJKXMOCDORU-IVAOSVALSA-N 2 2 330.516 3.344 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683421 458961046 /nfs/dbraw/zinc/96/10/46/458961046.db2.gz JSTGRJGEFHGDBB-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683421 458961054 /nfs/dbraw/zinc/96/10/54/458961054.db2.gz JSTGRJGEFHGDBB-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683421 458961058 /nfs/dbraw/zinc/96/10/58/458961058.db2.gz JSTGRJGEFHGDBB-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683421 458961063 /nfs/dbraw/zinc/96/10/63/458961063.db2.gz JSTGRJGEFHGDBB-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000519789677 459005664 /nfs/dbraw/zinc/00/56/64/459005664.db2.gz GFYBDJJPXQHVRC-JSGCOSHPSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000519789677 459005667 /nfs/dbraw/zinc/00/56/67/459005667.db2.gz GFYBDJJPXQHVRC-JSGCOSHPSA-N 2 2 346.862 3.236 10 0 EGAELP CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126624 459089908 /nfs/dbraw/zinc/08/99/08/459089908.db2.gz RADKXZLOELKYRR-OAQYLSRUSA-N 2 2 326.484 3.310 10 0 EGAELP CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126624 459089910 /nfs/dbraw/zinc/08/99/10/459089910.db2.gz RADKXZLOELKYRR-OAQYLSRUSA-N 2 2 326.484 3.310 10 0 EGAELP CC[NH+](Cc1ccc(C)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126624 459089918 /nfs/dbraw/zinc/08/99/18/459089918.db2.gz RADKXZLOELKYRR-OAQYLSRUSA-N 2 2 326.484 3.310 10 0 EGAELP CC[NH+](Cc1ccc(C)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126624 459089921 /nfs/dbraw/zinc/08/99/21/459089921.db2.gz RADKXZLOELKYRR-OAQYLSRUSA-N 2 2 326.484 3.310 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448162 459091007 /nfs/dbraw/zinc/09/10/07/459091007.db2.gz NEEQYKNDTQWHHN-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448162 459091013 /nfs/dbraw/zinc/09/10/13/459091013.db2.gz NEEQYKNDTQWHHN-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476808 459095095 /nfs/dbraw/zinc/09/50/95/459095095.db2.gz PGCLWBXVLQCULL-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476808 459095099 /nfs/dbraw/zinc/09/50/99/459095099.db2.gz PGCLWBXVLQCULL-BBRMVZONSA-N 2 2 337.305 3.411 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000520823939 459097208 /nfs/dbraw/zinc/09/72/08/459097208.db2.gz PCFVJNCKZNMNKS-UHFFFAOYSA-N 2 2 347.286 3.073 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812915 459098491 /nfs/dbraw/zinc/09/84/91/459098491.db2.gz AWNRUORZZJAXQN-WMZOPIPTSA-N 2 2 343.515 3.297 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000582238663 459331416 /nfs/dbraw/zinc/33/14/16/459331416.db2.gz NWQLWLSHPCJSFK-QGZVFWFLSA-N 2 2 349.272 3.192 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000560405132 459339465 /nfs/dbraw/zinc/33/94/65/459339465.db2.gz PCAHULWDUBZDAT-KBPBESRZSA-N 2 2 344.484 3.231 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000560405132 459339471 /nfs/dbraw/zinc/33/94/71/459339471.db2.gz PCAHULWDUBZDAT-KBPBESRZSA-N 2 2 344.484 3.231 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000484288539 459411444 /nfs/dbraw/zinc/41/14/44/459411444.db2.gz AVSZNOLGHQFXAE-PZJWPPBQSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000484288539 459411448 /nfs/dbraw/zinc/41/14/48/459411448.db2.gz AVSZNOLGHQFXAE-PZJWPPBQSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000484288539 459411453 /nfs/dbraw/zinc/41/14/53/459411453.db2.gz AVSZNOLGHQFXAE-PZJWPPBQSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000484288539 459411456 /nfs/dbraw/zinc/41/14/56/459411456.db2.gz AVSZNOLGHQFXAE-PZJWPPBQSA-N 2 2 344.499 3.111 10 0 EGAELP CC[C@](C)([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1nccs1 ZINC000541395019 459452199 /nfs/dbraw/zinc/45/21/99/459452199.db2.gz WRFSBETZUBAIIH-KRWDZBQOSA-N 2 2 327.457 3.447 10 0 EGAELP Cc1ccc(CCC[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c[nH+]1 ZINC000592524300 459625451 /nfs/dbraw/zinc/62/54/51/459625451.db2.gz BHCLLSZYCZZCDY-UHFFFAOYSA-N 2 2 348.487 3.051 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000543397541 459653232 /nfs/dbraw/zinc/65/32/32/459653232.db2.gz TWEAVBIXWAUREO-NRFANRHFSA-N 2 2 348.450 3.323 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000543397541 459653239 /nfs/dbraw/zinc/65/32/39/459653239.db2.gz TWEAVBIXWAUREO-NRFANRHFSA-N 2 2 348.450 3.323 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995868 459689603 /nfs/dbraw/zinc/68/96/03/459689603.db2.gz GWLIHAFOVKRNLY-CVEARBPZSA-N 2 2 341.377 3.144 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c(C)n2n1 ZINC000528007780 459794613 /nfs/dbraw/zinc/79/46/13/459794613.db2.gz CHXHJCLYSDXXDY-RHSMWYFYSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c(C)n2n1 ZINC000528007780 459794614 /nfs/dbraw/zinc/79/46/14/459794614.db2.gz CHXHJCLYSDXXDY-RHSMWYFYSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c(C)n2n1 ZINC000528007788 459795158 /nfs/dbraw/zinc/79/51/58/459795158.db2.gz CHXHJCLYSDXXDY-YOEHRIQHSA-N 2 2 327.476 3.014 10 0 EGAELP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c(C)n2n1 ZINC000528007788 459795163 /nfs/dbraw/zinc/79/51/63/459795163.db2.gz CHXHJCLYSDXXDY-YOEHRIQHSA-N 2 2 327.476 3.014 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000574501594 459827013 /nfs/dbraw/zinc/82/70/13/459827013.db2.gz QVYVAXTWSBVXHQ-ILZDJORESA-N 2 2 347.466 3.411 10 0 EGAELP CC(C)(C)OC(=O)CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000597196852 459872885 /nfs/dbraw/zinc/87/28/85/459872885.db2.gz CYNUOJUGACWBHW-UHFFFAOYSA-N 2 2 333.476 3.163 10 0 EGAELP CC(C)(C)OC(=O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000593671662 459945035 /nfs/dbraw/zinc/94/50/35/459945035.db2.gz FGNGOIYYSOTBRJ-UHFFFAOYSA-N 2 2 347.484 3.488 10 0 EGAELP CC(C)(C)OC(=O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000593671662 459945045 /nfs/dbraw/zinc/94/50/45/459945045.db2.gz FGNGOIYYSOTBRJ-UHFFFAOYSA-N 2 2 347.484 3.488 10 0 EGAELP Cc1cn2cc(NC(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)ccc2[nH+]1 ZINC000588857678 459993594 /nfs/dbraw/zinc/99/35/94/459993594.db2.gz IMDSVVIZGUIDIB-UHFFFAOYSA-N 2 2 349.438 3.201 10 0 EGAELP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621710976 460018243 /nfs/dbraw/zinc/01/82/43/460018243.db2.gz YYPZURZPONIGFL-UHFFFAOYSA-N 2 2 340.515 3.430 10 0 EGAELP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621710976 460018247 /nfs/dbraw/zinc/01/82/47/460018247.db2.gz YYPZURZPONIGFL-UHFFFAOYSA-N 2 2 340.515 3.430 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000598957263 460102744 /nfs/dbraw/zinc/10/27/44/460102744.db2.gz LDHUGPLGRDCDMJ-UHFFFAOYSA-N 2 2 335.473 3.470 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682396 460191813 /nfs/dbraw/zinc/19/18/13/460191813.db2.gz LOHQRQLOIKHSSJ-UYAOXDASSA-N 3 2 326.488 3.164 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682396 460191819 /nfs/dbraw/zinc/19/18/19/460191819.db2.gz LOHQRQLOIKHSSJ-UYAOXDASSA-N 3 2 326.488 3.164 10 0 EGAELP Cc1[nH+]ccn1CCN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982850 460325918 /nfs/dbraw/zinc/32/59/18/460325918.db2.gz UTUHUQPVRFDSKP-MRXNPFEDSA-N 2 2 341.286 3.391 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000628476204 460431322 /nfs/dbraw/zinc/43/13/22/460431322.db2.gz LURIHLMLDIYGFO-UHFFFAOYSA-N 2 2 328.500 3.252 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000628476313 460431384 /nfs/dbraw/zinc/43/13/84/460431384.db2.gz VEQMTRPCEKAYGQ-ONEGZZNKSA-N 2 2 332.463 3.416 10 0 EGAELP [NH3+]C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000634690887 460481184 /nfs/dbraw/zinc/48/11/84/460481184.db2.gz WFXPIHGKZMPCEW-GOSISDBHSA-N 2 2 332.451 3.384 10 0 EGAELP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000631658350 460492966 /nfs/dbraw/zinc/49/29/66/460492966.db2.gz FUHQBAYCPFLYBO-KRWDZBQOSA-N 2 2 342.405 3.203 10 0 EGAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623336159 460494988 /nfs/dbraw/zinc/49/49/88/460494988.db2.gz YZKGWFNBJVYFKO-UHFFFAOYSA-N 2 2 336.373 3.444 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342476 460498903 /nfs/dbraw/zinc/49/89/03/460498903.db2.gz BPFWKMMZCZFMSJ-PBHICJAKSA-N 2 2 332.488 3.371 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342476 460498906 /nfs/dbraw/zinc/49/89/06/460498906.db2.gz BPFWKMMZCZFMSJ-PBHICJAKSA-N 2 2 332.488 3.371 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCn1cc[nH+]c1 ZINC000623851979 460743607 /nfs/dbraw/zinc/74/36/07/460743607.db2.gz MMSBFDXGYSICJJ-SNVBAGLBSA-N 2 2 332.757 3.171 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C[NH2+]1 ZINC000629415412 460752547 /nfs/dbraw/zinc/75/25/47/460752547.db2.gz QBUALICLQUTVCB-DGCLKSJQSA-N 2 2 334.261 3.227 10 0 EGAELP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629547935 460804430 /nfs/dbraw/zinc/80/44/30/460804430.db2.gz LZKDMOUUHHTXSM-KPOBHBOGSA-N 2 2 328.431 3.458 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[NH2+]1 ZINC000629660177 460853835 /nfs/dbraw/zinc/85/38/35/460853835.db2.gz PJNJLBYGFLFMOL-QFBILLFUSA-N 2 2 347.466 3.164 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188755 460901827 /nfs/dbraw/zinc/90/18/27/460901827.db2.gz AZXWWGSZMBZZKN-RDTXWAMCSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188755 460901831 /nfs/dbraw/zinc/90/18/31/460901831.db2.gz AZXWWGSZMBZZKN-RDTXWAMCSA-N 2 2 333.451 3.149 10 0 EGAELP Cc1cc(N2CC[NH+](C[C@@]3(C)CCCS3)CC2)nc(C(C)C)[nH+]1 ZINC000628124392 461010940 /nfs/dbraw/zinc/01/09/40/461010940.db2.gz FSPDRBRVHOQMAX-GOSISDBHSA-N 2 2 334.533 3.316 10 0 EGAELP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC1CC1 ZINC000628157265 461022716 /nfs/dbraw/zinc/02/27/16/461022716.db2.gz AXOWKDSNHRTNCR-UHFFFAOYSA-N 2 2 327.428 3.270 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182724 461034916 /nfs/dbraw/zinc/03/49/16/461034916.db2.gz FUUMWUQRZACFDI-CJNGLKHVSA-N 2 2 340.309 3.315 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182724 461034918 /nfs/dbraw/zinc/03/49/18/461034918.db2.gz FUUMWUQRZACFDI-CJNGLKHVSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182724 461034919 /nfs/dbraw/zinc/03/49/19/461034919.db2.gz FUUMWUQRZACFDI-CJNGLKHVSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000628182724 461034920 /nfs/dbraw/zinc/03/49/20/461034920.db2.gz FUUMWUQRZACFDI-CJNGLKHVSA-N 2 2 340.309 3.315 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182726 461035469 /nfs/dbraw/zinc/03/54/69/461035469.db2.gz FUUMWUQRZACFDI-XJKSGUPXSA-N 2 2 340.309 3.315 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182726 461035472 /nfs/dbraw/zinc/03/54/72/461035472.db2.gz FUUMWUQRZACFDI-XJKSGUPXSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182726 461035477 /nfs/dbraw/zinc/03/54/77/461035477.db2.gz FUUMWUQRZACFDI-XJKSGUPXSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182726 461035483 /nfs/dbraw/zinc/03/54/83/461035483.db2.gz FUUMWUQRZACFDI-XJKSGUPXSA-N 2 2 340.309 3.315 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662235287 461134416 /nfs/dbraw/zinc/13/44/16/461134416.db2.gz JTPRKBYJFASQOP-CZUORRHYSA-N 2 2 339.361 3.414 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000662235287 461134429 /nfs/dbraw/zinc/13/44/29/461134429.db2.gz JTPRKBYJFASQOP-CZUORRHYSA-N 2 2 339.361 3.414 10 0 EGAELP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256941 461145485 /nfs/dbraw/zinc/14/54/85/461145485.db2.gz KNTPPDZWXZKQKI-VQTJNVASSA-N 2 2 328.431 3.225 10 0 EGAELP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256941 461145493 /nfs/dbraw/zinc/14/54/93/461145493.db2.gz KNTPPDZWXZKQKI-VQTJNVASSA-N 2 2 328.431 3.225 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668161972 461147908 /nfs/dbraw/zinc/14/79/08/461147908.db2.gz KXQOYJSOIQXNAR-HKUYNNGSSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668161972 461147916 /nfs/dbraw/zinc/14/79/16/461147916.db2.gz KXQOYJSOIQXNAR-HKUYNNGSSA-N 2 2 349.438 3.210 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319329 461190764 /nfs/dbraw/zinc/19/07/64/461190764.db2.gz HKMIBNNHPTVDMJ-YJBOKZPZSA-N 2 2 326.431 3.459 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319329 461190772 /nfs/dbraw/zinc/19/07/72/461190772.db2.gz HKMIBNNHPTVDMJ-YJBOKZPZSA-N 2 2 326.431 3.459 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ncco3)cc2F)CCO1 ZINC000662325214 461192299 /nfs/dbraw/zinc/19/22/99/461192299.db2.gz CVYLKGPNLZOYOB-QGZVFWFLSA-N 2 2 347.434 3.023 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ncco3)cc2F)CCO1 ZINC000662325214 461192308 /nfs/dbraw/zinc/19/23/08/461192308.db2.gz CVYLKGPNLZOYOB-QGZVFWFLSA-N 2 2 347.434 3.023 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662363063 461211323 /nfs/dbraw/zinc/21/13/23/461211323.db2.gz ZUEGDIYJCFYVMZ-KDOFPFPSSA-N 2 2 335.398 3.425 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662363063 461211333 /nfs/dbraw/zinc/21/13/33/461211333.db2.gz ZUEGDIYJCFYVMZ-KDOFPFPSSA-N 2 2 335.398 3.425 10 0 EGAELP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1C[NH+](C)C1 ZINC000668539427 461320531 /nfs/dbraw/zinc/32/05/31/461320531.db2.gz VSTPSOMRMUQJBN-UHFFFAOYSA-N 2 2 339.487 3.054 10 0 EGAELP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1C[NH+](C)C1 ZINC000668539427 461320541 /nfs/dbraw/zinc/32/05/41/461320541.db2.gz VSTPSOMRMUQJBN-UHFFFAOYSA-N 2 2 339.487 3.054 10 0 EGAELP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cc4n(n3)CCCC4)CC2)cc1 ZINC000655711338 461380898 /nfs/dbraw/zinc/38/08/98/461380898.db2.gz HTFIQOQZHSNHHR-UHFFFAOYSA-N 2 2 342.462 3.113 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC3CC[NH+](C4CC4)CC3)c21 ZINC000642076277 461440752 /nfs/dbraw/zinc/44/07/52/461440752.db2.gz UDQOZJYQXVQGGZ-UHFFFAOYSA-N 2 2 325.391 3.289 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(CC2CCC2)n1 ZINC000631030333 461482946 /nfs/dbraw/zinc/48/29/46/461482946.db2.gz QNOPXIYOGWHFET-UHFFFAOYSA-N 2 2 338.499 3.437 10 0 EGAELP Fc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1OC(F)F ZINC000659999440 461536484 /nfs/dbraw/zinc/53/64/84/461536484.db2.gz RPLMMWXTLFDJTQ-UHFFFAOYSA-N 2 2 325.334 3.461 10 0 EGAELP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000660005590 461542845 /nfs/dbraw/zinc/54/28/45/461542845.db2.gz AYTOWAWQWQVMOV-HOTGVXAUSA-N 2 2 333.524 3.405 10 0 EGAELP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000660005590 461542852 /nfs/dbraw/zinc/54/28/52/461542852.db2.gz AYTOWAWQWQVMOV-HOTGVXAUSA-N 2 2 333.524 3.405 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000663303317 461548830 /nfs/dbraw/zinc/54/88/30/461548830.db2.gz FSFLBEJBCIVCLS-TZMCWYRMSA-N 2 2 326.843 3.383 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CCC(n4cc[nH+]c4)CC3)n2)C1 ZINC000656113711 461599829 /nfs/dbraw/zinc/59/98/29/461599829.db2.gz XTWYADHTOFRFIW-UHFFFAOYSA-N 2 2 340.475 3.141 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)C1 ZINC000656118805 461602852 /nfs/dbraw/zinc/60/28/52/461602852.db2.gz WVJXDSCCWGXOIX-OAHLLOKOSA-N 2 2 340.475 3.210 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2n(n1)CCCC2 ZINC000647281714 461607390 /nfs/dbraw/zinc/60/73/90/461607390.db2.gz CSOVPYFWYJMQRL-INIZCTEOSA-N 2 2 335.455 3.315 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000656141601 461620143 /nfs/dbraw/zinc/62/01/43/461620143.db2.gz XCMVBXORFHKJEO-YOEHRIQHSA-N 2 2 326.444 3.116 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000656141601 461620147 /nfs/dbraw/zinc/62/01/47/461620147.db2.gz XCMVBXORFHKJEO-YOEHRIQHSA-N 2 2 326.444 3.116 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000663499005 461672865 /nfs/dbraw/zinc/67/28/65/461672865.db2.gz UFXFZDVXLKQZDH-UHFFFAOYSA-N 2 2 338.879 3.369 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631253186 461677151 /nfs/dbraw/zinc/67/71/51/461677151.db2.gz FEJYUKLRXUSUNU-CVEARBPZSA-N 2 2 334.426 3.341 10 0 EGAELP COCCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663526726 461689104 /nfs/dbraw/zinc/68/91/04/461689104.db2.gz AWAJUNWAIAJTNN-UHFFFAOYSA-N 2 2 331.382 3.322 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480278 461728309 /nfs/dbraw/zinc/72/83/09/461728309.db2.gz IKZIECWIKBEDDF-XJKSGUPXSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480278 461728316 /nfs/dbraw/zinc/72/83/16/461728316.db2.gz IKZIECWIKBEDDF-XJKSGUPXSA-N 2 2 340.414 3.261 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401365 461733921 /nfs/dbraw/zinc/73/39/21/461733921.db2.gz DBRAJWNOXYZZJH-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2cccnc2)cc1 ZINC000656401365 461733929 /nfs/dbraw/zinc/73/39/29/461733929.db2.gz DBRAJWNOXYZZJH-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2cccnc2)cc1 ZINC000656401365 461733938 /nfs/dbraw/zinc/73/39/38/461733938.db2.gz DBRAJWNOXYZZJH-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2cccnc2)cc1 ZINC000656401365 461733949 /nfs/dbraw/zinc/73/39/49/461733949.db2.gz DBRAJWNOXYZZJH-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643506876 461748694 /nfs/dbraw/zinc/74/86/94/461748694.db2.gz LBEMWYCEMYAZQJ-CQSZACIVSA-N 2 2 325.250 3.004 10 0 EGAELP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302012 461850619 /nfs/dbraw/zinc/85/06/19/461850619.db2.gz YDWDILNZXKFEEV-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302012 461850628 /nfs/dbraw/zinc/85/06/28/461850628.db2.gz YDWDILNZXKFEEV-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302012 461850638 /nfs/dbraw/zinc/85/06/38/461850638.db2.gz YDWDILNZXKFEEV-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)sn1 ZINC000639302012 461850644 /nfs/dbraw/zinc/85/06/44/461850644.db2.gz YDWDILNZXKFEEV-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901540 461875684 /nfs/dbraw/zinc/87/56/84/461875684.db2.gz QESCVTPTJSYIMS-HYVNUMGLSA-N 2 2 326.444 3.262 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901540 461875691 /nfs/dbraw/zinc/87/56/91/461875691.db2.gz QESCVTPTJSYIMS-HYVNUMGLSA-N 2 2 326.444 3.262 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901622 461876893 /nfs/dbraw/zinc/87/68/93/461876893.db2.gz RQKWEWSDLFCEQH-SJORKVTESA-N 2 2 326.444 3.009 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901622 461876897 /nfs/dbraw/zinc/87/68/97/461876897.db2.gz RQKWEWSDLFCEQH-SJORKVTESA-N 2 2 326.444 3.009 10 0 EGAELP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903602 461879185 /nfs/dbraw/zinc/87/91/85/461879185.db2.gz MQXUUABGFOAOHJ-CZUORRHYSA-N 2 2 326.843 3.322 10 0 EGAELP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903602 461879191 /nfs/dbraw/zinc/87/91/91/461879191.db2.gz MQXUUABGFOAOHJ-CZUORRHYSA-N 2 2 326.843 3.322 10 0 EGAELP CC[C@@H](C)[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663978602 461899408 /nfs/dbraw/zinc/89/94/08/461899408.db2.gz CMQPRIPLGJTTCM-CQSZACIVSA-N 2 2 329.444 3.173 10 0 EGAELP CCc1cc(C)cc(CC)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666998737 461905830 /nfs/dbraw/zinc/90/58/30/461905830.db2.gz GTSHTGBHBBVUSJ-UHFFFAOYSA-N 2 2 348.535 3.125 10 0 EGAELP CCc1cc(C)cc(CC)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666998737 461905834 /nfs/dbraw/zinc/90/58/34/461905834.db2.gz GTSHTGBHBBVUSJ-UHFFFAOYSA-N 2 2 348.535 3.125 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664237345 461993053 /nfs/dbraw/zinc/99/30/53/461993053.db2.gz RXNKKUSZZHVDPO-MRXNPFEDSA-N 2 2 331.847 3.222 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664237345 461993056 /nfs/dbraw/zinc/99/30/56/461993056.db2.gz RXNKKUSZZHVDPO-MRXNPFEDSA-N 2 2 331.847 3.222 10 0 EGAELP COc1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000660856659 461996319 /nfs/dbraw/zinc/99/63/19/461996319.db2.gz SJUMTQMRBZATRK-UHFFFAOYSA-N 2 2 336.439 3.421 10 0 EGAELP CCCC(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657314554 462039714 /nfs/dbraw/zinc/03/97/14/462039714.db2.gz ZGOVBNOQOISZEY-UHFFFAOYSA-N 2 2 349.438 3.296 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000657418695 462111337 /nfs/dbraw/zinc/11/13/37/462111337.db2.gz RDWVUEGHWZQQIS-WMZOPIPTSA-N 2 2 330.863 3.018 10 0 EGAELP c1coc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]2CCCO2)c1 ZINC000667551358 462138114 /nfs/dbraw/zinc/13/81/14/462138114.db2.gz JCDLNKKNBGWVCO-IBGZPJMESA-N 2 2 338.411 3.042 10 0 EGAELP c1coc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]2CCCO2)c1 ZINC000667551358 462138118 /nfs/dbraw/zinc/13/81/18/462138118.db2.gz JCDLNKKNBGWVCO-IBGZPJMESA-N 2 2 338.411 3.042 10 0 EGAELP CC(C)c1cc(N2CCO[C@H](CCC[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000664656037 462141455 /nfs/dbraw/zinc/14/14/55/462141455.db2.gz CNUYGLHNTORPCA-MRXNPFEDSA-N 2 2 334.508 3.270 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526287 462167189 /nfs/dbraw/zinc/16/71/89/462167189.db2.gz FTGZAHDSLRRHIR-INIZCTEOSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526287 462167195 /nfs/dbraw/zinc/16/71/95/462167195.db2.gz FTGZAHDSLRRHIR-INIZCTEOSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1c(Br)cncc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000667642719 462186586 /nfs/dbraw/zinc/18/65/86/462186586.db2.gz ILOQEIIPMVBTHE-UHFFFAOYSA-N 2 2 335.249 3.255 10 0 EGAELP Cc1c(Br)cncc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000667642719 462186587 /nfs/dbraw/zinc/18/65/87/462186587.db2.gz ILOQEIIPMVBTHE-UHFFFAOYSA-N 2 2 335.249 3.255 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000667667219 462201339 /nfs/dbraw/zinc/20/13/39/462201339.db2.gz HWJCBLWTOYEVQQ-FZMZJTMJSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000667667219 462201343 /nfs/dbraw/zinc/20/13/43/462201343.db2.gz HWJCBLWTOYEVQQ-FZMZJTMJSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000667667219 462201345 /nfs/dbraw/zinc/20/13/45/462201345.db2.gz HWJCBLWTOYEVQQ-FZMZJTMJSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000667667219 462201349 /nfs/dbraw/zinc/20/13/49/462201349.db2.gz HWJCBLWTOYEVQQ-FZMZJTMJSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cccn2c(C[NH2+][C@@H](C)COc3c(F)cccc3F)c[nH+]c12 ZINC000657627880 462209851 /nfs/dbraw/zinc/20/98/51/462209851.db2.gz AZKUGDFJNHPNPO-ZDUSSCGKSA-N 2 2 331.366 3.478 10 0 EGAELP Clc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751656 462251288 /nfs/dbraw/zinc/25/12/88/462251288.db2.gz UBGMAZJJKGJRMT-AWEZNQCLSA-N 2 2 334.847 3.429 10 0 EGAELP Cc1nnc(C[N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)o1 ZINC000661529043 462294450 /nfs/dbraw/zinc/29/44/50/462294450.db2.gz IHINLGDYFCVSMS-UHFFFAOYSA-N 2 2 327.432 3.338 10 0 EGAELP Cc1nnc(C[N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)o1 ZINC000661529043 462294454 /nfs/dbraw/zinc/29/44/54/462294454.db2.gz IHINLGDYFCVSMS-UHFFFAOYSA-N 2 2 327.432 3.338 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651691263 462304310 /nfs/dbraw/zinc/30/43/10/462304310.db2.gz JIEUYPXHXHZVGT-OAHLLOKOSA-N 2 2 326.843 3.167 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000667911534 462317971 /nfs/dbraw/zinc/31/79/71/462317971.db2.gz NCFIRGHYGHTIPW-IHPCNDPISA-N 2 2 325.456 3.398 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000648890065 462319752 /nfs/dbraw/zinc/31/97/52/462319752.db2.gz BTDXEYNYTBOUFU-CVEARBPZSA-N 2 2 343.475 3.367 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661704046 462374191 /nfs/dbraw/zinc/37/41/91/462374191.db2.gz NIPOKUGWUCKQAD-PXNSSMCTSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661704046 462374196 /nfs/dbraw/zinc/37/41/96/462374196.db2.gz NIPOKUGWUCKQAD-PXNSSMCTSA-N 2 2 327.472 3.483 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665278209 462381789 /nfs/dbraw/zinc/38/17/89/462381789.db2.gz YGRGHLNDPHEUNO-OFWKBQFLSA-N 2 2 337.261 3.004 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665277878 462382079 /nfs/dbraw/zinc/38/20/79/462382079.db2.gz NXQLFVXAWZKTDM-IQYSWEBNSA-N 2 2 339.302 3.328 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2nccn2C)CC1 ZINC000651962262 462394094 /nfs/dbraw/zinc/39/40/94/462394094.db2.gz XGGISPWSOYKBLQ-IBGZPJMESA-N 2 2 326.488 3.166 10 0 EGAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658117938 462395540 /nfs/dbraw/zinc/39/55/40/462395540.db2.gz XRTLWPAZBLBKFM-SMMRIJLZSA-N 2 2 343.471 3.089 10 0 EGAELP C[NH+](C)Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000651973852 462398497 /nfs/dbraw/zinc/39/84/97/462398497.db2.gz GGFWFXMQAICGLT-UHFFFAOYSA-N 2 2 346.862 3.116 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652159262 462455557 /nfs/dbraw/zinc/45/55/57/462455557.db2.gz UQWODRNVJIVCOM-HXUWFJFHSA-N 2 2 331.504 3.403 10 0 EGAELP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199945 462469736 /nfs/dbraw/zinc/46/97/36/462469736.db2.gz IQCYTFSYPVQILK-KGLIPLIRSA-N 2 2 345.443 3.034 10 0 EGAELP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199945 462469739 /nfs/dbraw/zinc/46/97/39/462469739.db2.gz IQCYTFSYPVQILK-KGLIPLIRSA-N 2 2 345.443 3.034 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977045 462485326 /nfs/dbraw/zinc/48/53/26/462485326.db2.gz OXJWXYMILURQSY-QGZVFWFLSA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977045 462485330 /nfs/dbraw/zinc/48/53/30/462485330.db2.gz OXJWXYMILURQSY-QGZVFWFLSA-N 2 2 344.886 3.412 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000652246028 462488470 /nfs/dbraw/zinc/48/84/70/462488470.db2.gz JUMXSHYKRVBPSW-MAODMQOUSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000652246028 462488472 /nfs/dbraw/zinc/48/84/72/462488472.db2.gz JUMXSHYKRVBPSW-MAODMQOUSA-N 2 2 328.500 3.302 10 0 EGAELP Cc1[nH+]ccn1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623991804 469812817 /nfs/dbraw/zinc/81/28/17/469812817.db2.gz QZVLIPHSSMTZJK-UHFFFAOYSA-N 2 2 334.427 3.004 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H]2CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000528142791 478653792 /nfs/dbraw/zinc/65/37/92/478653792.db2.gz XWKRYHDEBVLVMR-KRWDZBQOSA-N 2 2 326.444 3.097 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H]2CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000528142791 478653797 /nfs/dbraw/zinc/65/37/97/478653797.db2.gz XWKRYHDEBVLVMR-KRWDZBQOSA-N 2 2 326.444 3.097 10 0 EGAELP Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)c(C)[nH+]1 ZINC000528213258 478682459 /nfs/dbraw/zinc/68/24/59/478682459.db2.gz XGTCEUDRAMDYMD-CYBMUJFWSA-N 2 2 339.281 3.285 10 0 EGAELP Cc1nc(NC[C@H]2CC[N@H+]2C2CCCC2)c(Br)c(C)[nH+]1 ZINC000528213258 478682466 /nfs/dbraw/zinc/68/24/66/478682466.db2.gz XGTCEUDRAMDYMD-CYBMUJFWSA-N 2 2 339.281 3.285 10 0 EGAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c[nH+]ccc3N(C)C)c2C1 ZINC000184003677 528029405 /nfs/dbraw/zinc/02/94/05/528029405.db2.gz IZFCUYHUZCBEIX-UHFFFAOYSA-N 2 2 338.455 3.372 10 0 EGAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3c[nH+]ccc3N(C)C)c2C1 ZINC000184003677 528029410 /nfs/dbraw/zinc/02/94/10/528029410.db2.gz IZFCUYHUZCBEIX-UHFFFAOYSA-N 2 2 338.455 3.372 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000123231467 546738785 /nfs/dbraw/zinc/73/87/85/546738785.db2.gz AKHGYTOCQNNSEY-JKSUJKDBSA-N 2 2 339.483 3.108 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000123231467 546738788 /nfs/dbraw/zinc/73/87/88/546738788.db2.gz AKHGYTOCQNNSEY-JKSUJKDBSA-N 2 2 339.483 3.108 10 0 EGAELP Fc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000159003408 546933727 /nfs/dbraw/zinc/93/37/27/546933727.db2.gz IKNKUKCQEXVZDH-CQSZACIVSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000159003408 546933730 /nfs/dbraw/zinc/93/37/30/546933730.db2.gz IKNKUKCQEXVZDH-CQSZACIVSA-N 2 2 338.224 3.449 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCCC1CCCCC1 ZINC000374201421 547804298 /nfs/dbraw/zinc/80/42/98/547804298.db2.gz VOYXWLPVCUDLLN-UHFFFAOYSA-N 2 2 332.492 3.066 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673668422 548593305 /nfs/dbraw/zinc/59/33/05/548593305.db2.gz NCJCJLKRAHCFSZ-SFHVURJKSA-N 2 2 334.423 3.328 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673668422 548593310 /nfs/dbraw/zinc/59/33/10/548593310.db2.gz NCJCJLKRAHCFSZ-SFHVURJKSA-N 2 2 334.423 3.328 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714032 548602977 /nfs/dbraw/zinc/60/29/77/548602977.db2.gz AIIKKCHBWRRKSF-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714032 548602980 /nfs/dbraw/zinc/60/29/80/548602980.db2.gz AIIKKCHBWRRKSF-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714032 548602982 /nfs/dbraw/zinc/60/29/82/548602982.db2.gz AIIKKCHBWRRKSF-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000673714032 548602983 /nfs/dbraw/zinc/60/29/83/548602983.db2.gz AIIKKCHBWRRKSF-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC1(C)C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000678940377 549600366 /nfs/dbraw/zinc/60/03/66/549600366.db2.gz OEGHQWHZKOANBP-LJQANCHMSA-N 2 2 342.458 3.461 10 0 EGAELP CC1(C)C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000678940377 549600368 /nfs/dbraw/zinc/60/03/68/549600368.db2.gz OEGHQWHZKOANBP-LJQANCHMSA-N 2 2 342.458 3.461 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685416812 550414543 /nfs/dbraw/zinc/41/45/43/550414543.db2.gz YSSSDFJRCQZHEB-XDXAGZTOSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685416812 550414545 /nfs/dbraw/zinc/41/45/45/550414545.db2.gz YSSSDFJRCQZHEB-XDXAGZTOSA-N 2 2 349.469 3.080 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000685448925 550417586 /nfs/dbraw/zinc/41/75/86/550417586.db2.gz IJDZYGRSVKOJEX-NYVOZVTQSA-N 2 2 338.495 3.090 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000685448925 550417589 /nfs/dbraw/zinc/41/75/89/550417589.db2.gz IJDZYGRSVKOJEX-NYVOZVTQSA-N 2 2 338.495 3.090 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2[nH+]1 ZINC000727769873 574689721 /nfs/dbraw/zinc/68/97/21/574689721.db2.gz IHDPUEOTDDJVDG-HNNXBMFYSA-N 2 2 340.431 3.076 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccco1 ZINC000738951705 576370372 /nfs/dbraw/zinc/37/03/72/576370372.db2.gz ZMMFUTFYHPJZNZ-HNNXBMFYSA-N 2 2 341.415 3.132 10 0 EGAELP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@H+](Cc2ccncc2F)C1 ZINC000575550939 1298000803 /nfs/dbraw/zinc/00/08/03/1298000803.db2.gz ZTYHMOHINCTEOU-KRWDZBQOSA-N 2 2 344.434 3.067 10 0 EGAELP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000575550939 1298000818 /nfs/dbraw/zinc/00/08/18/1298000818.db2.gz ZTYHMOHINCTEOU-KRWDZBQOSA-N 2 2 344.434 3.067 10 0 EGAELP O[C@]1(C[NH2+]Cc2cc(F)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000702572790 1298195566 /nfs/dbraw/zinc/19/55/66/1298195566.db2.gz JFPQUIKYRMMPEY-IBGZPJMESA-N 2 2 348.849 3.206 10 0 EGAELP O[C@]1(C[NH2+]Cc2cc(F)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000702572790 1298195571 /nfs/dbraw/zinc/19/55/71/1298195571.db2.gz JFPQUIKYRMMPEY-IBGZPJMESA-N 2 2 348.849 3.206 10 0 EGAELP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)c3Br)C[C@@H]2C1 ZINC000719503377 1298319254 /nfs/dbraw/zinc/31/92/54/1298319254.db2.gz FCXNLKNJDYGDSQ-YPMHNXCESA-N 2 2 343.696 3.486 10 0 EGAELP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)c3Br)C[C@@H]2C1 ZINC000719503377 1298319264 /nfs/dbraw/zinc/31/92/64/1298319264.db2.gz FCXNLKNJDYGDSQ-YPMHNXCESA-N 2 2 343.696 3.486 10 0 EGAELP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Br)C[C@@H]2C1 ZINC000719503377 1298319271 /nfs/dbraw/zinc/31/92/71/1298319271.db2.gz FCXNLKNJDYGDSQ-YPMHNXCESA-N 2 2 343.696 3.486 10 0 EGAELP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Br)C[C@@H]2C1 ZINC000719503377 1298319279 /nfs/dbraw/zinc/31/92/79/1298319279.db2.gz FCXNLKNJDYGDSQ-YPMHNXCESA-N 2 2 343.696 3.486 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000877666069 1299466103 /nfs/dbraw/zinc/46/61/03/1299466103.db2.gz UQPKOZXIKACJJQ-MAUKXSAKSA-N 2 2 343.446 3.087 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000877666069 1299466108 /nfs/dbraw/zinc/46/61/08/1299466108.db2.gz UQPKOZXIKACJJQ-MAUKXSAKSA-N 2 2 343.446 3.087 10 0 EGAELP CN(c1ccccc1C[N@H+](C)Cc1ccns1)C1CC[NH+](C)CC1 ZINC000895453027 1309345296 /nfs/dbraw/zinc/34/52/96/1309345296.db2.gz BJEWNQSDPAYLNV-UHFFFAOYSA-N 2 2 344.528 3.306 10 0 EGAELP CN(c1ccccc1C[N@@H+](C)Cc1ccns1)C1CC[NH+](C)CC1 ZINC000895453027 1309345300 /nfs/dbraw/zinc/34/53/00/1309345300.db2.gz BJEWNQSDPAYLNV-UHFFFAOYSA-N 2 2 344.528 3.306 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cncs3)cc2)C[C@H](C)O1 ZINC000895739412 1309498538 /nfs/dbraw/zinc/49/85/38/1309498538.db2.gz AJSYRZVFVDMKQZ-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cncs3)cc2)C[C@H](C)O1 ZINC000895739412 1309498542 /nfs/dbraw/zinc/49/85/42/1309498542.db2.gz AJSYRZVFVDMKQZ-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cncs3)cc2)C[C@H](C)O1 ZINC000895739412 1309498546 /nfs/dbraw/zinc/49/85/46/1309498546.db2.gz AJSYRZVFVDMKQZ-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cncs3)cc2)C[C@H](C)O1 ZINC000895739412 1309498552 /nfs/dbraw/zinc/49/85/52/1309498552.db2.gz AJSYRZVFVDMKQZ-IYBDPMFKSA-N 2 2 345.512 3.384 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1ccc(SC)c(OC)c1)C[NH+](C)C ZINC000926959944 1327796968 /nfs/dbraw/zinc/79/69/68/1327796968.db2.gz CVZOHWCLQBSJNU-UKRRQHHQSA-N 2 2 326.506 3.034 10 0 EGAELP C[N@H+](CCCC(C)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798555 1328704647 /nfs/dbraw/zinc/70/46/47/1328704647.db2.gz ORESPNQLRRQNGB-UHFFFAOYSA-N 2 2 325.447 3.456 10 0 EGAELP C[N@@H+](CCCC(C)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798555 1328704650 /nfs/dbraw/zinc/70/46/50/1328704650.db2.gz ORESPNQLRRQNGB-UHFFFAOYSA-N 2 2 325.447 3.456 10 0 EGAELP CC(C)(/C=C\Cl)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922643764 1322577949 /nfs/dbraw/zinc/57/79/49/1322577949.db2.gz CCKDZQXJYWFXIC-FPLPWBNLSA-N 2 2 338.879 3.018 10 0 EGAELP c1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924652252 1323093423 /nfs/dbraw/zinc/09/34/23/1323093423.db2.gz FGBZOMHFFIZPJP-VQTJNVASSA-N 2 2 328.500 3.341 10 0 EGAELP c1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924652252 1323093426 /nfs/dbraw/zinc/09/34/26/1323093426.db2.gz FGBZOMHFFIZPJP-VQTJNVASSA-N 2 2 328.500 3.341 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924672571 1323105806 /nfs/dbraw/zinc/10/58/06/1323105806.db2.gz UELSSKCJQMRBJJ-LEWJYISDSA-N 2 2 346.515 3.346 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924672571 1323105811 /nfs/dbraw/zinc/10/58/11/1323105811.db2.gz UELSSKCJQMRBJJ-LEWJYISDSA-N 2 2 346.515 3.346 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(OC)n1 ZINC000924722144 1323133560 /nfs/dbraw/zinc/13/35/60/1323133560.db2.gz GEMUFUATMSGFNC-INIZCTEOSA-N 2 2 337.427 3.220 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc(C(F)(F)F)c1 ZINC000924755861 1323146671 /nfs/dbraw/zinc/14/66/71/1323146671.db2.gz NGHKJUGSVSAHPU-LLVKDONJSA-N 2 2 336.423 3.264 10 0 EGAELP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924912974 1323210118 /nfs/dbraw/zinc/21/01/18/1323210118.db2.gz SPGBQBSWSBDFPT-KRWDZBQOSA-N 2 2 337.895 3.203 10 0 EGAELP C[NH+](C)C1(C[NH2+]C2CC3(C2)COC(C)(C)C3)Cc2ccccc2C1 ZINC000925144670 1325065424 /nfs/dbraw/zinc/06/54/24/1325065424.db2.gz SPZMAZSQLMZNFQ-UHFFFAOYSA-N 2 2 328.500 3.023 10 0 EGAELP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925557475 1325207094 /nfs/dbraw/zinc/20/70/94/1325207094.db2.gz ORQXSGVGMLDNAS-RCCFBDPRSA-N 2 2 349.906 3.080 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925597193 1325227692 /nfs/dbraw/zinc/22/76/92/1325227692.db2.gz PYNFPSUGIKZFST-UXHICEINSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925597193 1325227699 /nfs/dbraw/zinc/22/76/99/1325227699.db2.gz PYNFPSUGIKZFST-UXHICEINSA-N 2 2 332.488 3.208 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1nc(-c2ccccc2)no1 ZINC000925628012 1325238271 /nfs/dbraw/zinc/23/82/71/1325238271.db2.gz DHKWZPDXPFCAAY-GDBMZVCRSA-N 2 2 326.444 3.104 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925683458 1325261270 /nfs/dbraw/zinc/26/12/70/1325261270.db2.gz QJGYWOKZWWWJJA-JOCLIGHLSA-N 2 2 332.488 3.378 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925683458 1325261278 /nfs/dbraw/zinc/26/12/78/1325261278.db2.gz QJGYWOKZWWWJJA-JOCLIGHLSA-N 2 2 332.488 3.378 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1C[NH2+]C1 ZINC000925772790 1325293084 /nfs/dbraw/zinc/29/30/84/1325293084.db2.gz JYAXZWOARSSXQT-MRVPVSSYSA-N 2 2 337.183 3.165 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774947 1325294995 /nfs/dbraw/zinc/29/49/95/1325294995.db2.gz APADKILXBXMRIZ-XJKSGUPXSA-N 3 2 334.414 3.076 10 0 EGAELP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774947 1325295001 /nfs/dbraw/zinc/29/50/01/1325295001.db2.gz APADKILXBXMRIZ-XJKSGUPXSA-N 2 2 334.414 3.076 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1sccc1Br ZINC000925782899 1325300600 /nfs/dbraw/zinc/30/06/00/1325300600.db2.gz MWNFXQARQQBARO-BDAKNGLRSA-N 2 2 339.249 3.406 10 0 EGAELP C[NH+](C)CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825636 1325318799 /nfs/dbraw/zinc/31/87/99/1325318799.db2.gz AZWGYGHKYPCETB-VQTJNVASSA-N 3 2 326.488 3.144 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)N[C@H](C)c2cn3c([nH+]2)CCCC3)cc1 ZINC000926382081 1325534888 /nfs/dbraw/zinc/53/48/88/1325534888.db2.gz HNXNKRVSRRDFEO-BEFAXECRSA-N 2 2 342.487 3.182 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926635215 1327645659 /nfs/dbraw/zinc/64/56/59/1327645659.db2.gz MILYPRXVTPCFOV-QRQLOZEOSA-N 2 2 338.499 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926635215 1327645669 /nfs/dbraw/zinc/64/56/69/1327645669.db2.gz MILYPRXVTPCFOV-QRQLOZEOSA-N 2 2 338.499 3.215 10 0 EGAELP CCO[C@H](C[NH2+][C@H]1CCCSc2ccc(OC)cc21)C[NH+](C)C ZINC000926961430 1327799100 /nfs/dbraw/zinc/79/91/00/1327799100.db2.gz OWJNMJFXQFSBTA-WBVHZDCISA-N 2 2 338.517 3.179 10 0 EGAELP Cn1ncc2cc(C[NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000865533368 1329710158 /nfs/dbraw/zinc/71/01/58/1329710158.db2.gz GQDAEOYUTNGKIL-OAQYLSRUSA-N 2 2 349.482 3.113 10 0 EGAELP Cn1ncc2cc(C[NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)cnc21 ZINC000865533368 1329710159 /nfs/dbraw/zinc/71/01/59/1329710159.db2.gz GQDAEOYUTNGKIL-OAQYLSRUSA-N 2 2 349.482 3.113 10 0 EGAELP c1cn(CCC[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c[nH+]1 ZINC000933548141 1329899555 /nfs/dbraw/zinc/89/95/55/1329899555.db2.gz SAVJJUXLUHFNOX-UHFFFAOYSA-N 3 2 338.499 3.360 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3ccc(F)cc23)[C@@H](C)C1 ZINC000866511779 1330120322 /nfs/dbraw/zinc/12/03/22/1330120322.db2.gz SXQBKPQWBOXCBX-YOEHRIQHSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3ccc(F)cc23)[C@@H](C)C1 ZINC000866511779 1330120323 /nfs/dbraw/zinc/12/03/23/1330120323.db2.gz SXQBKPQWBOXCBX-YOEHRIQHSA-N 2 2 349.450 3.194 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866530922 1330122531 /nfs/dbraw/zinc/12/25/31/1330122531.db2.gz NWIYSXHDMQLNEP-VQIMIIECSA-N 2 2 341.455 3.109 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703645 1330142580 /nfs/dbraw/zinc/14/25/80/1330142580.db2.gz NKALORFAEFHPRW-GOSISDBHSA-N 2 2 337.895 3.284 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703645 1330142581 /nfs/dbraw/zinc/14/25/81/1330142581.db2.gz NKALORFAEFHPRW-GOSISDBHSA-N 2 2 337.895 3.284 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866703320 1330142664 /nfs/dbraw/zinc/14/26/64/1330142664.db2.gz LCVLMJOLPZIMDY-GOSISDBHSA-N 2 2 335.517 3.044 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866703320 1330142665 /nfs/dbraw/zinc/14/26/65/1330142665.db2.gz LCVLMJOLPZIMDY-GOSISDBHSA-N 2 2 335.517 3.044 10 0 EGAELP CC(C)([NH3+])c1noc(C[NH+]2CCC(Cc3ccccc3Cl)CC2)n1 ZINC000866704773 1330142885 /nfs/dbraw/zinc/14/28/85/1330142885.db2.gz XRYKCKVQMNPGCI-UHFFFAOYSA-N 2 2 348.878 3.372 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704547 1330143015 /nfs/dbraw/zinc/14/30/15/1330143015.db2.gz VVIOVPYXNWFEJS-GOSISDBHSA-N 2 2 337.895 3.284 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704547 1330143016 /nfs/dbraw/zinc/14/30/16/1330143016.db2.gz VVIOVPYXNWFEJS-GOSISDBHSA-N 2 2 337.895 3.284 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641840 1387415649 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EGAELP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724530759 1424896347 /nfs/dbraw/zinc/89/63/47/1424896347.db2.gz IZLXZKBUMKBBDI-FUHWJXTLSA-N 2 2 340.471 3.049 10 0 EGAELP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001724890103 1425275993 /nfs/dbraw/zinc/27/59/93/1425275993.db2.gz LAQPRJCAEUVAPC-UHFFFAOYSA-N 2 2 344.503 3.204 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724970646 1425369733 /nfs/dbraw/zinc/36/97/33/1425369733.db2.gz MYQSHAUSDFFGGY-ANBQXBGZSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724970646 1425369730 /nfs/dbraw/zinc/36/97/30/1425369730.db2.gz MYQSHAUSDFFGGY-ANBQXBGZSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724970646 1425369731 /nfs/dbraw/zinc/36/97/31/1425369731.db2.gz MYQSHAUSDFFGGY-ANBQXBGZSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001724970646 1425369732 /nfs/dbraw/zinc/36/97/32/1425369732.db2.gz MYQSHAUSDFFGGY-ANBQXBGZSA-N 2 2 346.519 3.161 10 0 EGAELP CCC(CC)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725091747 1425534775 /nfs/dbraw/zinc/53/47/75/1425534775.db2.gz NDAKFLJDCPHPSG-CABCVRRESA-N 2 2 330.476 3.175 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CC[C@H]2CCCO2)c(C)[nH+]1 ZINC001725393828 1426039709 /nfs/dbraw/zinc/03/97/09/1426039709.db2.gz MAVWNSZIXWZZFI-MAUKXSAKSA-N 2 2 347.503 3.064 10 0 EGAELP C[C@H](CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001725680027 1426368244 /nfs/dbraw/zinc/36/82/44/1426368244.db2.gz WBTPGBDLZVENMJ-IAGOWNOFSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCOC(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001725746278 1426424379 /nfs/dbraw/zinc/42/43/79/1426424379.db2.gz SRQVWLWAOYMBEW-QGZVFWFLSA-N 2 2 349.519 3.166 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001731518626 1427506701 /nfs/dbraw/zinc/50/67/01/1427506701.db2.gz SYUZOKRBMKHZCL-GOSISDBHSA-N 2 2 348.535 3.335 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731561021 1427596488 /nfs/dbraw/zinc/59/64/88/1427596488.db2.gz CTTCBVQXOHMPPQ-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001731561021 1427596491 /nfs/dbraw/zinc/59/64/91/1427596491.db2.gz CTTCBVQXOHMPPQ-HKUYNNGSSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876180 1437703330 /nfs/dbraw/zinc/70/33/30/1437703330.db2.gz UBECJMRFBKCXDS-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876180 1437703332 /nfs/dbraw/zinc/70/33/32/1437703332.db2.gz UBECJMRFBKCXDS-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001733984263 1437780881 /nfs/dbraw/zinc/78/08/81/1437780881.db2.gz QUIUJYGQLGTJAS-KBPBESRZSA-N 2 2 331.485 3.365 10 0 EGAELP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001734415356 1438087480 /nfs/dbraw/zinc/08/74/80/1438087480.db2.gz BHWTWSUHBAFUBC-AEFFLSMTSA-N 2 2 338.455 3.031 10 0 EGAELP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001734500629 1438134534 /nfs/dbraw/zinc/13/45/34/1438134534.db2.gz KNYAFNAWAKXVSS-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001734500631 1438134669 /nfs/dbraw/zinc/13/46/69/1438134669.db2.gz KNYAFNAWAKXVSS-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CC[C@H](c1ccccc1)[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001734553321 1438151452 /nfs/dbraw/zinc/15/14/52/1438151452.db2.gz AEWZPKVYIWIGHK-GOSISDBHSA-N 2 2 342.487 3.272 10 0 EGAELP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001734553321 1438151454 /nfs/dbraw/zinc/15/14/54/1438151454.db2.gz AEWZPKVYIWIGHK-GOSISDBHSA-N 2 2 342.487 3.272 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734562594 1438159408 /nfs/dbraw/zinc/15/94/08/1438159408.db2.gz VQHUCFNWTKWNRD-PBHICJAKSA-N 2 2 344.503 3.423 10 0 EGAELP CCOc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)F ZINC000368229287 168328172 /nfs/dbraw/zinc/32/81/72/168328172.db2.gz RZDFGWLIJMBTIG-LBPRGKRZSA-N 2 2 337.370 3.057 10 0 EGAELP CCOc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1OC(F)F ZINC000368229287 168328175 /nfs/dbraw/zinc/32/81/75/168328175.db2.gz RZDFGWLIJMBTIG-LBPRGKRZSA-N 2 2 337.370 3.057 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)cn2)c[nH+]1 ZINC000369011168 168392341 /nfs/dbraw/zinc/39/23/41/168392341.db2.gz PYSSRIXUFBVRCU-OAQYLSRUSA-N 2 2 346.434 3.289 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)cn2)c[nH+]1 ZINC000369011168 168392343 /nfs/dbraw/zinc/39/23/43/168392343.db2.gz PYSSRIXUFBVRCU-OAQYLSRUSA-N 2 2 346.434 3.289 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cncn2)cc1 ZINC000025365066 202129344 /nfs/dbraw/zinc/12/93/44/202129344.db2.gz CQWWMIWQDOFEPP-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000221855598 201033182 /nfs/dbraw/zinc/03/31/82/201033182.db2.gz ULJNQYKYNNPXTB-VQIMIIECSA-N 2 2 338.451 3.383 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000221855598 201033186 /nfs/dbraw/zinc/03/31/86/201033186.db2.gz ULJNQYKYNNPXTB-VQIMIIECSA-N 2 2 338.451 3.383 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000275415920 201282062 /nfs/dbraw/zinc/28/20/62/201282062.db2.gz DGXHGZDRCMMVKB-QFBILLFUSA-N 2 2 341.455 3.144 10 0 EGAELP COCC[N@H+]([C@@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042615371 204115377 /nfs/dbraw/zinc/11/53/77/204115377.db2.gz GGMZSWUQFDMZBP-JQWIXIFHSA-N 2 2 347.322 3.257 10 0 EGAELP COCC[N@@H+]([C@@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042615371 204115380 /nfs/dbraw/zinc/11/53/80/204115380.db2.gz GGMZSWUQFDMZBP-JQWIXIFHSA-N 2 2 347.322 3.257 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174776485 207056993 /nfs/dbraw/zinc/05/69/93/207056993.db2.gz SLRPRPGSBBZSDD-GOEBONIOSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174776485 207056997 /nfs/dbraw/zinc/05/69/97/207056997.db2.gz SLRPRPGSBBZSDD-GOEBONIOSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174776485 207057001 /nfs/dbraw/zinc/05/70/01/207057001.db2.gz SLRPRPGSBBZSDD-GOEBONIOSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174776485 207057005 /nfs/dbraw/zinc/05/70/05/207057005.db2.gz SLRPRPGSBBZSDD-GOEBONIOSA-N 2 2 332.467 3.357 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1C ZINC000177007912 207282684 /nfs/dbraw/zinc/28/26/84/207282684.db2.gz ZZWFUVYNCQFHFS-GDBMZVCRSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@H+]1C ZINC000177007912 207282689 /nfs/dbraw/zinc/28/26/89/207282689.db2.gz ZZWFUVYNCQFHFS-GDBMZVCRSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007912 207282694 /nfs/dbraw/zinc/28/26/94/207282694.db2.gz ZZWFUVYNCQFHFS-GDBMZVCRSA-N 2 2 335.517 3.375 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC[NH+]1C ZINC000177007912 207282699 /nfs/dbraw/zinc/28/26/99/207282699.db2.gz ZZWFUVYNCQFHFS-GDBMZVCRSA-N 2 2 335.517 3.375 10 0 EGAELP O[C@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000338205875 285356597 /nfs/dbraw/zinc/35/65/97/285356597.db2.gz KJVNAYBCYQOGKT-MJGOQNOKSA-N 2 2 344.499 3.259 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246722740 141028960 /nfs/dbraw/zinc/02/89/60/141028960.db2.gz DFOOBDVBCXADJF-KURKYZTESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246722740 141028962 /nfs/dbraw/zinc/02/89/62/141028962.db2.gz DFOOBDVBCXADJF-KURKYZTESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246722740 141028964 /nfs/dbraw/zinc/02/89/64/141028964.db2.gz DFOOBDVBCXADJF-KURKYZTESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246722740 141028968 /nfs/dbraw/zinc/02/89/68/141028968.db2.gz DFOOBDVBCXADJF-KURKYZTESA-N 2 2 343.515 3.016 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2)c[nH+]1 ZINC000346214997 141182715 /nfs/dbraw/zinc/18/27/15/141182715.db2.gz ZRDZLPJQQZBZAG-MRXNPFEDSA-N 3 2 330.501 3.242 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2)c[nH+]1 ZINC000346214997 141182719 /nfs/dbraw/zinc/18/27/19/141182719.db2.gz ZRDZLPJQQZBZAG-MRXNPFEDSA-N 3 2 330.501 3.242 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000346280564 141190392 /nfs/dbraw/zinc/19/03/92/141190392.db2.gz SIWMHNFVAOMCSX-INIZCTEOSA-N 2 2 339.361 3.284 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000346280564 141190393 /nfs/dbraw/zinc/19/03/93/141190393.db2.gz SIWMHNFVAOMCSX-INIZCTEOSA-N 2 2 339.361 3.284 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000171921991 144012945 /nfs/dbraw/zinc/01/29/45/144012945.db2.gz UNTKOHUAJVDDKC-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000171921991 144012947 /nfs/dbraw/zinc/01/29/47/144012947.db2.gz UNTKOHUAJVDDKC-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000174785727 144052599 /nfs/dbraw/zinc/05/25/99/144052599.db2.gz JJROBDYCICEMMK-KRWDZBQOSA-N 2 2 340.471 3.420 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000174785727 144052600 /nfs/dbraw/zinc/05/26/00/144052600.db2.gz JJROBDYCICEMMK-KRWDZBQOSA-N 2 2 340.471 3.420 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351751459 144301673 /nfs/dbraw/zinc/30/16/73/144301673.db2.gz BLZXXNZOEYVRKJ-CYBMUJFWSA-N 2 2 349.381 3.196 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351751459 144301674 /nfs/dbraw/zinc/30/16/74/144301674.db2.gz BLZXXNZOEYVRKJ-CYBMUJFWSA-N 2 2 349.381 3.196 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncnc3c2C[N@H+](C)CC3)cc1 ZINC000364075217 144390488 /nfs/dbraw/zinc/39/04/88/144390488.db2.gz IWAORQHMPPWPLL-AWEZNQCLSA-N 2 2 348.454 3.132 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC000364075217 144390491 /nfs/dbraw/zinc/39/04/91/144390491.db2.gz IWAORQHMPPWPLL-AWEZNQCLSA-N 2 2 348.454 3.132 10 0 EGAELP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000189372117 153066424 /nfs/dbraw/zinc/06/64/24/153066424.db2.gz MUTGFHZKLRBGIA-HXUWFJFHSA-N 2 2 337.467 3.468 10 0 EGAELP CCN(CCC[NH+](CC)CC)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000190966075 153168445 /nfs/dbraw/zinc/16/84/45/153168445.db2.gz NHLOFMQLBXWRHO-UHFFFAOYSA-N 2 2 327.476 3.405 10 0 EGAELP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000191228958 153182947 /nfs/dbraw/zinc/18/29/47/153182947.db2.gz OOYPBWBCWZUBMB-UHFFFAOYSA-N 2 2 327.266 3.350 10 0 EGAELP c1cncc(C[NH+]2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)c1 ZINC000192975599 153271128 /nfs/dbraw/zinc/27/11/28/153271128.db2.gz IWMSSVIDHULWJD-UHFFFAOYSA-N 2 2 332.451 3.384 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071707 154139936 /nfs/dbraw/zinc/13/99/36/154139936.db2.gz ACKOZLLJAXITGS-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310071707 154139948 /nfs/dbraw/zinc/13/99/48/154139948.db2.gz ACKOZLLJAXITGS-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310071707 154139953 /nfs/dbraw/zinc/13/99/53/154139953.db2.gz ACKOZLLJAXITGS-QCFAMHMHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682118 157263283 /nfs/dbraw/zinc/26/32/83/157263283.db2.gz FVWSXVJNBPIDDH-PXNSSMCTSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682118 157263288 /nfs/dbraw/zinc/26/32/88/157263288.db2.gz FVWSXVJNBPIDDH-PXNSSMCTSA-N 2 2 341.503 3.046 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000372431302 157330140 /nfs/dbraw/zinc/33/01/40/157330140.db2.gz LLZCKCUWJWGJQT-YOEHRIQHSA-N 2 2 348.535 3.121 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000372431302 157330142 /nfs/dbraw/zinc/33/01/42/157330142.db2.gz LLZCKCUWJWGJQT-YOEHRIQHSA-N 2 2 348.535 3.121 10 0 EGAELP CCn1nc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c2ccccc21 ZINC000372539553 157351152 /nfs/dbraw/zinc/35/11/52/157351152.db2.gz RFVIGOWFLRDPMM-UWJYYQICSA-N 2 2 349.482 3.234 10 0 EGAELP CCn1nc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c2ccccc21 ZINC000372539553 157351155 /nfs/dbraw/zinc/35/11/55/157351155.db2.gz RFVIGOWFLRDPMM-UWJYYQICSA-N 2 2 349.482 3.234 10 0 EGAELP CC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+](CC)CC ZINC000337162363 163149621 /nfs/dbraw/zinc/14/96/21/163149621.db2.gz VICSYLMDTUFTIK-AEFFLSMTSA-N 2 2 346.519 3.046 10 0 EGAELP Cc1[nH+]ccn1CCCNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000338716222 163328984 /nfs/dbraw/zinc/32/89/84/163328984.db2.gz OGXPFWFSOWRXNF-UHFFFAOYSA-N 2 2 334.427 3.178 10 0 EGAELP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2cnn(C)c2)c1 ZINC000338943622 163397681 /nfs/dbraw/zinc/39/76/81/163397681.db2.gz DHKIFHILPAWLGV-UHFFFAOYSA-N 2 2 335.455 3.498 10 0 EGAELP COc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1O ZINC000346180264 164358009 /nfs/dbraw/zinc/35/80/09/164358009.db2.gz QAFAMONZRHWRSU-UHFFFAOYSA-N 2 2 329.425 3.280 10 0 EGAELP COc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1O ZINC000346180264 164358010 /nfs/dbraw/zinc/35/80/10/164358010.db2.gz QAFAMONZRHWRSU-UHFFFAOYSA-N 2 2 329.425 3.280 10 0 EGAELP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000346356268 164374200 /nfs/dbraw/zinc/37/42/00/164374200.db2.gz XUUYJMYFVHHNPI-HNNXBMFYSA-N 2 2 332.879 3.224 10 0 EGAELP Cc1[nH+]ccn1CCN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000346356268 164374201 /nfs/dbraw/zinc/37/42/01/164374201.db2.gz XUUYJMYFVHHNPI-HNNXBMFYSA-N 2 2 332.879 3.224 10 0 EGAELP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCC1 ZINC000346491833 164386127 /nfs/dbraw/zinc/38/61/27/164386127.db2.gz PETVSCZYULWUBY-KXBFYZLASA-N 2 2 328.435 3.027 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261683457 287150168 /nfs/dbraw/zinc/15/01/68/287150168.db2.gz HEGHPJQMIKDEGZ-RLFYNMQTSA-N 2 2 349.906 3.063 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000355644865 166270331 /nfs/dbraw/zinc/27/03/31/166270331.db2.gz BIROKWSDOMWKCY-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccn(C)n1 ZINC000359024051 167041476 /nfs/dbraw/zinc/04/14/76/167041476.db2.gz BJBFOIFCWDRPOG-NRXISQOPSA-N 2 2 344.425 3.266 10 0 EGAELP COc1cc(C)[nH+]c(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000359377166 167139460 /nfs/dbraw/zinc/13/94/60/167139460.db2.gz LUPGIXQNVRXXOO-NRFANRHFSA-N 2 2 339.483 3.399 10 0 EGAELP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2cccs2)n1 ZINC000366886958 168152446 /nfs/dbraw/zinc/15/24/46/168152446.db2.gz PQBMIUSGZKFROV-UHFFFAOYSA-N 2 2 330.501 3.255 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000678156152 549412783 /nfs/dbraw/zinc/41/27/83/549412783.db2.gz RJJDIRACNYUUNL-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000678156152 549412786 /nfs/dbraw/zinc/41/27/86/549412786.db2.gz RJJDIRACNYUUNL-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000150910612 275193601 /nfs/dbraw/zinc/19/36/01/275193601.db2.gz YIGFTMMEQSXRON-ZDUSSCGKSA-N 2 2 326.375 3.296 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000150910612 275193602 /nfs/dbraw/zinc/19/36/02/275193602.db2.gz YIGFTMMEQSXRON-ZDUSSCGKSA-N 2 2 326.375 3.296 10 0 EGAELP C[NH+]1CCC(CNC(=O)CC2CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000177337643 275200867 /nfs/dbraw/zinc/20/08/67/275200867.db2.gz JVVMJSACZAZWFU-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361455304 276109803 /nfs/dbraw/zinc/10/98/03/276109803.db2.gz BVWDOBDMDFYERG-INIZCTEOSA-N 2 2 336.442 3.324 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481984 277043936 /nfs/dbraw/zinc/04/39/36/277043936.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 3 2 330.520 3.273 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481984 277043937 /nfs/dbraw/zinc/04/39/37/277043937.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481984 277043940 /nfs/dbraw/zinc/04/39/40/277043940.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481984 277043941 /nfs/dbraw/zinc/04/39/41/277043941.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 3 2 330.520 3.273 10 0 EGAELP CNC(=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000361641295 277232075 /nfs/dbraw/zinc/23/20/75/277232075.db2.gz YPHCZKOTYJEHSY-HXUWFJFHSA-N 2 2 348.450 3.148 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C[NH+]1CCOCC1 ZINC000341703320 279349118 /nfs/dbraw/zinc/34/91/18/279349118.db2.gz YUIFXNFPKGFIQI-RHSMWYFYSA-N 2 2 338.879 3.112 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccc(F)cc2)cc1 ZINC000414124279 309062360 /nfs/dbraw/zinc/06/23/60/309062360.db2.gz KPTMWSBEPRFDMM-FQEVSTJZSA-N 2 2 339.414 3.490 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000249175636 308020704 /nfs/dbraw/zinc/02/07/04/308020704.db2.gz ZCWHUSGZTMLQQY-BLLLJJGKSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249175636 308020706 /nfs/dbraw/zinc/02/07/06/308020706.db2.gz ZCWHUSGZTMLQQY-BLLLJJGKSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249963831 308029435 /nfs/dbraw/zinc/02/94/35/308029435.db2.gz JVPLRZNIKDNFEK-PZJWPPBQSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249963831 308029436 /nfs/dbraw/zinc/02/94/36/308029436.db2.gz JVPLRZNIKDNFEK-PZJWPPBQSA-N 2 2 338.499 3.442 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414395613 309077549 /nfs/dbraw/zinc/07/75/49/309077549.db2.gz KNFNKBQTBHQBGD-RDTXWAMCSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414395613 309077550 /nfs/dbraw/zinc/07/75/50/309077550.db2.gz KNFNKBQTBHQBGD-RDTXWAMCSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000414395613 309077551 /nfs/dbraw/zinc/07/75/51/309077551.db2.gz KNFNKBQTBHQBGD-RDTXWAMCSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000414395613 309077552 /nfs/dbraw/zinc/07/75/52/309077552.db2.gz KNFNKBQTBHQBGD-RDTXWAMCSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000414399703 309077842 /nfs/dbraw/zinc/07/78/42/309077842.db2.gz VTLRXKYUPMOFIZ-UHFFFAOYSA-N 2 2 339.418 3.423 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](O)C(F)F ZINC000295066032 308287119 /nfs/dbraw/zinc/28/71/19/308287119.db2.gz OURONDRBEXSQEL-CVEARBPZSA-N 2 2 346.849 3.299 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000295727296 308354239 /nfs/dbraw/zinc/35/42/39/308354239.db2.gz NWZSJQBPQFVJMY-OALUTQOASA-N 2 2 330.497 3.029 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000295727296 308354241 /nfs/dbraw/zinc/35/42/41/308354241.db2.gz NWZSJQBPQFVJMY-OALUTQOASA-N 2 2 330.497 3.029 10 0 EGAELP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000414817273 309103560 /nfs/dbraw/zinc/10/35/60/309103560.db2.gz RWCIOPJSKOZHTQ-CYBMUJFWSA-N 3 2 329.410 3.213 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(SC)cc1OC ZINC000414824130 309103909 /nfs/dbraw/zinc/10/39/09/309103909.db2.gz AGXLEZWROOXQDP-OAHLLOKOSA-N 2 2 332.469 3.215 10 0 EGAELP [NH3+][C@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000414830306 309104192 /nfs/dbraw/zinc/10/41/92/309104192.db2.gz LVJZILNASABOOA-MRXNPFEDSA-N 2 2 347.256 3.174 10 0 EGAELP C[C@H]1CN(c2ccc(CNc3cc[nH+]cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000301545346 308704479 /nfs/dbraw/zinc/70/44/79/308704479.db2.gz WMIKHYPUJHYHHU-STQMWFEESA-N 2 2 332.835 3.356 10 0 EGAELP FC(F)Oc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1Br ZINC000415070958 309118363 /nfs/dbraw/zinc/11/83/63/309118363.db2.gz RVCMBKUWTBNSIN-LLVKDONJSA-N 2 2 349.219 3.282 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359047 309284202 /nfs/dbraw/zinc/28/42/02/309284202.db2.gz FNKNEWOYEAJKKU-IIBYNOLFSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359047 309284203 /nfs/dbraw/zinc/28/42/03/309284203.db2.gz FNKNEWOYEAJKKU-IIBYNOLFSA-N 2 2 337.467 3.242 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372473 309284758 /nfs/dbraw/zinc/28/47/58/309284758.db2.gz MJQYUCDCQWMHAW-CUWPLCDZSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372473 309284759 /nfs/dbraw/zinc/28/47/59/309284759.db2.gz MJQYUCDCQWMHAW-CUWPLCDZSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420396078 309286361 /nfs/dbraw/zinc/28/63/61/309286361.db2.gz LPDVXAYRFXBSMT-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420396078 309286362 /nfs/dbraw/zinc/28/63/62/309286362.db2.gz LPDVXAYRFXBSMT-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP COCC[C@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914153 309300755 /nfs/dbraw/zinc/30/07/55/309300755.db2.gz BXLGJPDDPMEFAB-LJQANCHMSA-N 2 2 346.515 3.157 10 0 EGAELP COCC[C@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914153 309300756 /nfs/dbraw/zinc/30/07/56/309300756.db2.gz BXLGJPDDPMEFAB-LJQANCHMSA-N 2 2 346.515 3.157 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000422026572 309351663 /nfs/dbraw/zinc/35/16/63/309351663.db2.gz VAWCZRJEBGUMCG-KRWDZBQOSA-N 2 2 337.552 3.077 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000422026572 309351664 /nfs/dbraw/zinc/35/16/64/309351664.db2.gz VAWCZRJEBGUMCG-KRWDZBQOSA-N 2 2 337.552 3.077 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000422687242 309363394 /nfs/dbraw/zinc/36/33/94/309363394.db2.gz BCYGWCZRONCXJA-WBVHZDCISA-N 2 2 341.455 3.360 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000422687240 309363417 /nfs/dbraw/zinc/36/34/17/309363417.db2.gz BCYGWCZRONCXJA-NVXWUHKLSA-N 2 2 341.455 3.360 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422701582 309363778 /nfs/dbraw/zinc/36/37/78/309363778.db2.gz DIUXRKFQROTQFX-NSHDSACASA-N 2 2 335.835 3.406 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422746466 309366298 /nfs/dbraw/zinc/36/62/98/309366298.db2.gz WPCOKQWRBOJNHV-RTWAWAEBSA-N 3 2 345.531 3.200 10 0 EGAELP CC[NH+](CC)[C@H](CN[C@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795613 309368951 /nfs/dbraw/zinc/36/89/51/309368951.db2.gz HXHVQIJFWPNDIH-FOIQADDNSA-N 2 2 342.487 3.236 10 0 EGAELP CCN(CC)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795613 309368952 /nfs/dbraw/zinc/36/89/52/309368952.db2.gz HXHVQIJFWPNDIH-FOIQADDNSA-N 2 2 342.487 3.236 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422939893 309377248 /nfs/dbraw/zinc/37/72/48/309377248.db2.gz GHAALIZGQPCQIA-CABZTGNLSA-N 2 2 349.219 3.138 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@](C)(O)CCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422983441 309379494 /nfs/dbraw/zinc/37/94/94/309379494.db2.gz ZMYSKYSPVQNKSP-UFYCRDLUSA-N 2 2 334.504 3.265 10 0 EGAELP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)c2ccccc21 ZINC000422990592 309379854 /nfs/dbraw/zinc/37/98/54/309379854.db2.gz NUSQXMCBNWIIMW-ZACQAIPSSA-N 2 2 347.256 3.217 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423006655 309380528 /nfs/dbraw/zinc/38/05/28/309380528.db2.gz OTZSZWNTZAILEV-PMACEKPBSA-N 2 2 346.515 3.411 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccncc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423011254 309380855 /nfs/dbraw/zinc/38/08/55/309380855.db2.gz IJYFPNCXRJJPOF-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021079 309381416 /nfs/dbraw/zinc/38/14/16/309381416.db2.gz DGWOPURFFYKFPM-IYWMVGAKSA-N 2 2 343.421 3.444 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021079 309381417 /nfs/dbraw/zinc/38/14/17/309381417.db2.gz DGWOPURFFYKFPM-IYWMVGAKSA-N 2 2 343.421 3.444 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046017 309382784 /nfs/dbraw/zinc/38/27/84/309382784.db2.gz DUFDAJJPGSTRDY-GTAWCEEGSA-N 2 2 330.472 3.036 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423081986 309385019 /nfs/dbraw/zinc/38/50/19/309385019.db2.gz DQZBHAOXYHJQHA-RTBURBONSA-N 2 2 344.499 3.021 10 0 EGAELP C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]1 ZINC000423105787 309386121 /nfs/dbraw/zinc/38/61/21/309386121.db2.gz CKZXTPYXYAWSIT-GDLCADMTSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423122840 309387078 /nfs/dbraw/zinc/38/70/78/309387078.db2.gz LFOARCAUTWJIES-PBEJRMEISA-N 2 2 338.451 3.254 10 0 EGAELP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423121699 309387095 /nfs/dbraw/zinc/38/70/95/309387095.db2.gz BCOARGCSINGVMV-LEWJYISDSA-N 2 2 340.442 3.349 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161323 309388905 /nfs/dbraw/zinc/38/89/05/309388905.db2.gz IYEKLUZDYWSYRV-RTBURBONSA-N 2 2 346.515 3.409 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1nccc2ccccc21 ZINC000423223771 309391153 /nfs/dbraw/zinc/39/11/53/309391153.db2.gz ANBYNEUEBFMEKB-OAHLLOKOSA-N 2 2 333.439 3.213 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000423223981 309391252 /nfs/dbraw/zinc/39/12/52/309391252.db2.gz BEYMLWPFGVTMOO-GFCCVEGCSA-N 2 2 334.826 3.457 10 0 EGAELP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCCO2 ZINC000423242583 309391971 /nfs/dbraw/zinc/39/19/71/309391971.db2.gz YUWHEYFVZXRMQZ-GOSISDBHSA-N 2 2 338.455 3.125 10 0 EGAELP COc1cc(C)ccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449060175 310033934 /nfs/dbraw/zinc/03/39/34/310033934.db2.gz FBQUXOBIVROQJT-UHFFFAOYSA-N 2 2 340.467 3.126 10 0 EGAELP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000449234799 310046505 /nfs/dbraw/zinc/04/65/05/310046505.db2.gz RGPCILQAJNXREW-KURKYZTESA-N 2 2 346.519 3.106 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000449351396 310056173 /nfs/dbraw/zinc/05/61/73/310056173.db2.gz PAWBMHNTCONAKA-IBGZPJMESA-N 2 2 348.462 3.210 10 0 EGAELP CCC[C@@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449966098 310096526 /nfs/dbraw/zinc/09/65/26/310096526.db2.gz PCZNIQYQHVJHSM-RTBURBONSA-N 2 2 349.563 3.269 10 0 EGAELP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CO2 ZINC000453068678 310255861 /nfs/dbraw/zinc/25/58/61/310255861.db2.gz BLIUDHLHZKTBAJ-IBGZPJMESA-N 2 2 349.434 3.033 10 0 EGAELP Fc1ccccc1N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000492174238 311224093 /nfs/dbraw/zinc/22/40/93/311224093.db2.gz ASHAIBYQSNUISJ-AWEZNQCLSA-N 2 2 342.443 3.441 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533355 313346702 /nfs/dbraw/zinc/34/67/02/313346702.db2.gz VMYURXGILCEGFW-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533355 313346705 /nfs/dbraw/zinc/34/67/05/313346705.db2.gz VMYURXGILCEGFW-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533355 313346707 /nfs/dbraw/zinc/34/67/07/313346707.db2.gz VMYURXGILCEGFW-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533355 313346710 /nfs/dbraw/zinc/34/67/10/313346710.db2.gz VMYURXGILCEGFW-OAHLLOKOSA-N 2 2 338.467 3.397 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529566119 313356858 /nfs/dbraw/zinc/35/68/58/313356858.db2.gz AGURNFZZHBPCDO-LLVKDONJSA-N 2 2 326.263 3.234 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccsc2Br)C1 ZINC000529566119 313356861 /nfs/dbraw/zinc/35/68/61/313356861.db2.gz AGURNFZZHBPCDO-LLVKDONJSA-N 2 2 326.263 3.234 10 0 EGAELP COc1cccc([C@H]2[C@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000537572852 314189812 /nfs/dbraw/zinc/18/98/12/314189812.db2.gz SJSAEYIFLPPAAI-MSOLQXFVSA-N 2 2 349.438 3.356 10 0 EGAELP COc1cccc([C@H]2[C@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@H+]2C2CC2)c1 ZINC000537572852 314189816 /nfs/dbraw/zinc/18/98/16/314189816.db2.gz SJSAEYIFLPPAAI-MSOLQXFVSA-N 2 2 349.438 3.356 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@H](C)C1 ZINC000539838232 314343944 /nfs/dbraw/zinc/34/39/44/314343944.db2.gz JHZYPOSOOVNTIV-RKVPGOIHSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@H](C)C1 ZINC000539838232 314343946 /nfs/dbraw/zinc/34/39/46/314343946.db2.gz JHZYPOSOOVNTIV-RKVPGOIHSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@H](C)C1 ZINC000539838232 314343947 /nfs/dbraw/zinc/34/39/47/314343947.db2.gz JHZYPOSOOVNTIV-RKVPGOIHSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@H](C)C1 ZINC000539838232 314343950 /nfs/dbraw/zinc/34/39/50/314343950.db2.gz JHZYPOSOOVNTIV-RKVPGOIHSA-N 2 2 332.488 3.181 10 0 EGAELP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000554360615 315312823 /nfs/dbraw/zinc/31/28/23/315312823.db2.gz IXFJOQNDFVDUIV-VQTJNVASSA-N 2 2 346.515 3.312 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2cccc(F)c2)no1 ZINC000565821378 316374600 /nfs/dbraw/zinc/37/46/00/316374600.db2.gz CISBDHWXTYUETA-OSMBCOQSSA-N 2 2 344.434 3.447 10 0 EGAELP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000570808720 317111052 /nfs/dbraw/zinc/11/10/52/317111052.db2.gz XPRAPXJQLXFAHN-ZDUSSCGKSA-N 2 2 346.393 3.347 10 0 EGAELP COc1cc[nH+]c(N2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)c1 ZINC000574153028 317567081 /nfs/dbraw/zinc/56/70/81/317567081.db2.gz IBSCCFZIZHMEDP-UHFFFAOYSA-N 2 2 338.386 3.104 10 0 EGAELP CC[NH+]1CCC(CCNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000172772752 323290587 /nfs/dbraw/zinc/29/05/87/323290587.db2.gz YTFXHGAQDZUEJX-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558240 324280017 /nfs/dbraw/zinc/28/00/17/324280017.db2.gz SMOHXUHWGSDGNK-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000389558240 324280018 /nfs/dbraw/zinc/28/00/18/324280018.db2.gz SMOHXUHWGSDGNK-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868034 325030341 /nfs/dbraw/zinc/03/03/41/325030341.db2.gz MGHPJBHUBMXKRN-FXAWDEMLSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000578868034 325030346 /nfs/dbraw/zinc/03/03/46/325030346.db2.gz MGHPJBHUBMXKRN-FXAWDEMLSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012014 325320754 /nfs/dbraw/zinc/32/07/54/325320754.db2.gz OILAZEOATOFCIJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012014 325320756 /nfs/dbraw/zinc/32/07/56/325320756.db2.gz OILAZEOATOFCIJ-KDOFPFPSSA-N 2 2 335.879 3.051 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380216 455276806 /nfs/dbraw/zinc/27/68/06/455276806.db2.gz XJWMZUIAMAJBDT-CJNGLKHVSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000173380216 455276809 /nfs/dbraw/zinc/27/68/09/455276809.db2.gz XJWMZUIAMAJBDT-CJNGLKHVSA-N 2 2 330.394 3.467 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCc2ccccc2)CC1(C)C ZINC000623442296 460553034 /nfs/dbraw/zinc/55/30/34/460553034.db2.gz ILFINGJMBDLLPK-SFHVURJKSA-N 2 2 326.488 3.088 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCc2ccccc2)CC1(C)C ZINC000623442296 460553040 /nfs/dbraw/zinc/55/30/40/460553040.db2.gz ILFINGJMBDLLPK-SFHVURJKSA-N 2 2 326.488 3.088 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822780 460573062 /nfs/dbraw/zinc/57/30/62/460573062.db2.gz OIKGIKYZPLJFQC-LPHOPBHVSA-N 2 2 341.455 3.314 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000631822780 460573065 /nfs/dbraw/zinc/57/30/65/460573065.db2.gz OIKGIKYZPLJFQC-LPHOPBHVSA-N 2 2 341.455 3.314 10 0 EGAELP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578802 455334251 /nfs/dbraw/zinc/33/42/51/455334251.db2.gz GIUNQLDHFWJQJY-CPUCHLNUSA-N 2 2 328.859 3.487 10 0 EGAELP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578802 455334253 /nfs/dbraw/zinc/33/42/53/455334253.db2.gz GIUNQLDHFWJQJY-CPUCHLNUSA-N 2 2 328.859 3.487 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1OCC(F)(F)F ZINC000623496731 460581507 /nfs/dbraw/zinc/58/15/07/460581507.db2.gz IOYQQLFEHHYULR-LBPRGKRZSA-N 2 2 343.324 3.068 10 0 EGAELP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885651 460588439 /nfs/dbraw/zinc/58/84/39/460588439.db2.gz AKNZZUSRHLVSCF-GOEBONIOSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885651 460588444 /nfs/dbraw/zinc/58/84/44/460588444.db2.gz AKNZZUSRHLVSCF-GOEBONIOSA-N 2 2 346.862 3.006 10 0 EGAELP CC[C@@H](C)c1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000626650468 460614086 /nfs/dbraw/zinc/61/40/86/460614086.db2.gz BQEGPBXTYBJJIS-MRXNPFEDSA-N 2 2 346.519 3.348 10 0 EGAELP CCc1oc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1C[NH+]1CCCC1 ZINC000067713210 453960162 /nfs/dbraw/zinc/96/01/62/453960162.db2.gz PYDGLZSRSXBEMY-UHFFFAOYSA-N 2 2 342.443 3.223 10 0 EGAELP CCOc1cc2c(cc1C[NH2+]C[C@@H]1CCCn3cc[nH+]c31)O[C@H](C)C2 ZINC000084805223 454011253 /nfs/dbraw/zinc/01/12/53/454011253.db2.gz HJPOGPKEYGCBHO-CABCVRRESA-N 2 2 341.455 3.272 10 0 EGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095969199 454243921 /nfs/dbraw/zinc/24/39/21/454243921.db2.gz ZBBHCZBIKAMLKC-RHSMWYFYSA-N 2 2 336.443 3.212 10 0 EGAELP C[NH+]1CCC(CNc2nc3ccccc3o2)([NH+]2CCCCC2)CC1 ZINC000078457660 454256653 /nfs/dbraw/zinc/25/66/53/454256653.db2.gz GCCUJGSDTZLBLT-UHFFFAOYSA-N 2 2 328.460 3.190 10 0 EGAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121224952 454408515 /nfs/dbraw/zinc/40/85/15/454408515.db2.gz KJEXKEMBNDOSEK-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121224952 454408518 /nfs/dbraw/zinc/40/85/18/454408518.db2.gz KJEXKEMBNDOSEK-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000091547003 454444305 /nfs/dbraw/zinc/44/43/05/454444305.db2.gz JDMANLTXIYJXNR-PKOBYXMFSA-N 2 2 349.482 3.296 10 0 EGAELP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000091547003 454444308 /nfs/dbraw/zinc/44/43/08/454444308.db2.gz JDMANLTXIYJXNR-PKOBYXMFSA-N 2 2 349.482 3.296 10 0 EGAELP Cc1cc(C)c(C[S@](=O)Cc2cn3c(cccc3C)[nH+]2)c(C)[nH+]1 ZINC000600909701 460639760 /nfs/dbraw/zinc/63/97/60/460639760.db2.gz OLUTTYCESCTXFK-HSZRJFAPSA-N 2 2 327.453 3.412 10 0 EGAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092510298 454577193 /nfs/dbraw/zinc/57/71/93/454577193.db2.gz KNJAKRFBJAHFKY-IBGZPJMESA-N 2 2 340.471 3.014 10 0 EGAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092510298 454577199 /nfs/dbraw/zinc/57/71/99/454577199.db2.gz KNJAKRFBJAHFKY-IBGZPJMESA-N 2 2 340.471 3.014 10 0 EGAELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000092812631 454637826 /nfs/dbraw/zinc/63/78/26/454637826.db2.gz QSLIYEVJVGZMMA-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000092812631 454637828 /nfs/dbraw/zinc/63/78/28/454637828.db2.gz QSLIYEVJVGZMMA-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096198 454685140 /nfs/dbraw/zinc/68/51/40/454685140.db2.gz WPDKAJFLJCLWIJ-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096198 454685143 /nfs/dbraw/zinc/68/51/43/454685143.db2.gz WPDKAJFLJCLWIJ-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096198 454685144 /nfs/dbraw/zinc/68/51/44/454685144.db2.gz WPDKAJFLJCLWIJ-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000081096198 454685147 /nfs/dbraw/zinc/68/51/47/454685147.db2.gz WPDKAJFLJCLWIJ-CJNGLKHVSA-N 2 2 334.895 3.389 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000123929558 454688224 /nfs/dbraw/zinc/68/82/24/454688224.db2.gz XRBUSNXWSUYIAL-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000123929558 454688228 /nfs/dbraw/zinc/68/82/28/454688228.db2.gz XRBUSNXWSUYIAL-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929558 454688230 /nfs/dbraw/zinc/68/82/30/454688230.db2.gz XRBUSNXWSUYIAL-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929558 454688237 /nfs/dbraw/zinc/68/82/37/454688237.db2.gz XRBUSNXWSUYIAL-CJNGLKHVSA-N 2 2 348.878 3.347 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000124662751 454757287 /nfs/dbraw/zinc/75/72/87/454757287.db2.gz PDNCHMMNEKDERS-UHFFFAOYSA-N 2 2 348.494 3.324 10 0 EGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000124921195 454782978 /nfs/dbraw/zinc/78/29/78/454782978.db2.gz VQHFUPDGFQLEDJ-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000124921195 454782980 /nfs/dbraw/zinc/78/29/80/454782980.db2.gz VQHFUPDGFQLEDJ-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000125173624 454802185 /nfs/dbraw/zinc/80/21/85/454802185.db2.gz ZZCMYGISPYUXIX-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000125173624 454802189 /nfs/dbraw/zinc/80/21/89/454802189.db2.gz ZZCMYGISPYUXIX-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138436 454826072 /nfs/dbraw/zinc/82/60/72/454826072.db2.gz CXJVQFQRAOXMEG-CYBMUJFWSA-N 2 2 330.398 3.092 10 0 EGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138436 454826076 /nfs/dbraw/zinc/82/60/76/454826076.db2.gz CXJVQFQRAOXMEG-CYBMUJFWSA-N 2 2 330.398 3.092 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437542 454847363 /nfs/dbraw/zinc/84/73/63/454847363.db2.gz IPAPABQIJAOBNH-TZMCWYRMSA-N 2 2 346.393 3.189 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437542 454847368 /nfs/dbraw/zinc/84/73/68/454847368.db2.gz IPAPABQIJAOBNH-TZMCWYRMSA-N 2 2 346.393 3.189 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000182293301 455481633 /nfs/dbraw/zinc/48/16/33/455481633.db2.gz ULEZMQSGGYZGMP-MRXNPFEDSA-N 2 2 335.492 3.187 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000182293301 455481636 /nfs/dbraw/zinc/48/16/36/455481636.db2.gz ULEZMQSGGYZGMP-MRXNPFEDSA-N 2 2 335.492 3.187 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1O ZINC000178010684 454926558 /nfs/dbraw/zinc/92/65/58/454926558.db2.gz XPEWUQWJOBRTRT-QAPCUYQASA-N 2 2 326.440 3.153 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000178010684 454926560 /nfs/dbraw/zinc/92/65/60/454926560.db2.gz XPEWUQWJOBRTRT-QAPCUYQASA-N 2 2 326.440 3.153 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1O ZINC000178010716 454926671 /nfs/dbraw/zinc/92/66/71/454926671.db2.gz XPEWUQWJOBRTRT-MAUKXSAKSA-N 2 2 326.440 3.153 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000178010716 454926673 /nfs/dbraw/zinc/92/66/73/454926673.db2.gz XPEWUQWJOBRTRT-MAUKXSAKSA-N 2 2 326.440 3.153 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151269619 454961254 /nfs/dbraw/zinc/96/12/54/454961254.db2.gz KAAYJEQFMDYOOH-LSDHHAIUSA-N 2 2 342.430 3.094 10 0 EGAELP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000151505927 454994390 /nfs/dbraw/zinc/99/43/90/454994390.db2.gz LAZMANQUHGNFBH-GOSISDBHSA-N 2 2 334.423 3.443 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1nccs1 ZINC000185116926 455504251 /nfs/dbraw/zinc/50/42/51/455504251.db2.gz JRTPWLDPVFYRLN-LSDHHAIUSA-N 2 2 344.484 3.211 10 0 EGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000128883951 455089428 /nfs/dbraw/zinc/08/94/28/455089428.db2.gz YWUYNLYKKSNPKP-OAQYLSRUSA-N 2 2 337.511 3.418 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000152241753 455091192 /nfs/dbraw/zinc/09/11/92/455091192.db2.gz NQMMVERWSXLGPZ-VXLLPVPCSA-N 2 2 339.524 3.141 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000152241753 455091196 /nfs/dbraw/zinc/09/11/96/455091196.db2.gz NQMMVERWSXLGPZ-VXLLPVPCSA-N 2 2 339.524 3.141 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415289 455292065 /nfs/dbraw/zinc/29/20/65/455292065.db2.gz DDFMTYWTWMXVBB-CUWPLCDZSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415289 455292066 /nfs/dbraw/zinc/29/20/66/455292066.db2.gz DDFMTYWTWMXVBB-CUWPLCDZSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415289 455292067 /nfs/dbraw/zinc/29/20/67/455292067.db2.gz DDFMTYWTWMXVBB-CUWPLCDZSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415289 455292069 /nfs/dbraw/zinc/29/20/69/455292069.db2.gz DDFMTYWTWMXVBB-CUWPLCDZSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429242 455296958 /nfs/dbraw/zinc/29/69/58/455296958.db2.gz MZTVUKQTXCENGP-SUMWQHHRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429242 455296962 /nfs/dbraw/zinc/29/69/62/455296962.db2.gz MZTVUKQTXCENGP-SUMWQHHRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429242 455296968 /nfs/dbraw/zinc/29/69/68/455296968.db2.gz MZTVUKQTXCENGP-SUMWQHHRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000245429242 455296971 /nfs/dbraw/zinc/29/69/71/455296971.db2.gz MZTVUKQTXCENGP-SUMWQHHRSA-N 2 2 337.895 3.249 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515831 455309675 /nfs/dbraw/zinc/30/96/75/455309675.db2.gz OAOXNZZUPLSACX-QAPCUYQASA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515831 455309678 /nfs/dbraw/zinc/30/96/78/455309678.db2.gz OAOXNZZUPLSACX-QAPCUYQASA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515831 455309682 /nfs/dbraw/zinc/30/96/82/455309682.db2.gz OAOXNZZUPLSACX-QAPCUYQASA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000158515831 455309685 /nfs/dbraw/zinc/30/96/85/455309685.db2.gz OAOXNZZUPLSACX-QAPCUYQASA-N 2 2 329.419 3.397 10 0 EGAELP COc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190461242 455323113 /nfs/dbraw/zinc/32/31/13/455323113.db2.gz XHWKKTMCIUJXEG-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190461242 455323117 /nfs/dbraw/zinc/32/31/17/455323117.db2.gz XHWKKTMCIUJXEG-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190461242 455323120 /nfs/dbraw/zinc/32/31/20/455323120.db2.gz XHWKKTMCIUJXEG-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190461242 455323124 /nfs/dbraw/zinc/32/31/24/455323124.db2.gz XHWKKTMCIUJXEG-MRXNPFEDSA-N 2 2 345.512 3.414 10 0 EGAELP COCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479164 455328216 /nfs/dbraw/zinc/32/82/16/455328216.db2.gz UWPPSFSRGMCAMR-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479164 455328218 /nfs/dbraw/zinc/32/82/18/455328218.db2.gz UWPPSFSRGMCAMR-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190479164 455328222 /nfs/dbraw/zinc/32/82/22/455328222.db2.gz UWPPSFSRGMCAMR-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190479164 455328223 /nfs/dbraw/zinc/32/82/23/455328223.db2.gz UWPPSFSRGMCAMR-NRFANRHFSA-N 2 2 339.483 3.182 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)[nH]1 ZINC000265456359 455328884 /nfs/dbraw/zinc/32/88/84/455328884.db2.gz DLUQUBHDHGLIJV-UHFFFAOYSA-N 2 2 347.466 3.464 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484972 455329762 /nfs/dbraw/zinc/32/97/62/455329762.db2.gz ALPCYQISODTMBZ-KRWDZBQOSA-N 2 2 341.503 3.056 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484972 455329766 /nfs/dbraw/zinc/32/97/66/455329766.db2.gz ALPCYQISODTMBZ-KRWDZBQOSA-N 2 2 341.503 3.056 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484972 455329768 /nfs/dbraw/zinc/32/97/68/455329768.db2.gz ALPCYQISODTMBZ-KRWDZBQOSA-N 2 2 341.503 3.056 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190484972 455329771 /nfs/dbraw/zinc/32/97/71/455329771.db2.gz ALPCYQISODTMBZ-KRWDZBQOSA-N 2 2 341.503 3.056 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488766 455330905 /nfs/dbraw/zinc/33/09/05/455330905.db2.gz WLXDPZRMMWYRNX-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488766 455330907 /nfs/dbraw/zinc/33/09/07/455330907.db2.gz WLXDPZRMMWYRNX-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488766 455330910 /nfs/dbraw/zinc/33/09/10/455330910.db2.gz WLXDPZRMMWYRNX-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488766 455330914 /nfs/dbraw/zinc/33/09/14/455330914.db2.gz WLXDPZRMMWYRNX-IBGZPJMESA-N 2 2 325.456 3.044 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610404 455339516 /nfs/dbraw/zinc/33/95/16/455339516.db2.gz BAHUKKAWOVEGBE-HUUCEWRRSA-N 2 2 330.501 3.189 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610404 455339518 /nfs/dbraw/zinc/33/95/18/455339518.db2.gz BAHUKKAWOVEGBE-HUUCEWRRSA-N 2 2 330.501 3.189 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610404 455339520 /nfs/dbraw/zinc/33/95/20/455339520.db2.gz BAHUKKAWOVEGBE-HUUCEWRRSA-N 2 2 330.501 3.189 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610404 455339522 /nfs/dbraw/zinc/33/95/22/455339522.db2.gz BAHUKKAWOVEGBE-HUUCEWRRSA-N 2 2 330.501 3.189 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245636712 455345784 /nfs/dbraw/zinc/34/57/84/455345784.db2.gz CFHCCYSCDRXPBK-VQIMIIECSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245636712 455345790 /nfs/dbraw/zinc/34/57/90/455345790.db2.gz CFHCCYSCDRXPBK-VQIMIIECSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245701262 455359199 /nfs/dbraw/zinc/35/91/99/455359199.db2.gz BNVGARNCKUKAEO-QLFBSQMISA-N 2 2 326.444 3.287 10 0 EGAELP C[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245701262 455359202 /nfs/dbraw/zinc/35/92/02/455359202.db2.gz BNVGARNCKUKAEO-QLFBSQMISA-N 2 2 326.444 3.287 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1C ZINC000245698772 455359208 /nfs/dbraw/zinc/35/92/08/455359208.db2.gz XGGOXRLCRRCHAB-IBGZPJMESA-N 2 2 325.456 3.196 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000245698772 455359211 /nfs/dbraw/zinc/35/92/11/455359211.db2.gz XGGOXRLCRRCHAB-IBGZPJMESA-N 2 2 325.456 3.196 10 0 EGAELP C[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245701265 455359275 /nfs/dbraw/zinc/35/92/75/455359275.db2.gz BNVGARNCKUKAEO-RBSFLKMASA-N 2 2 326.444 3.287 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181675590 455371261 /nfs/dbraw/zinc/37/12/61/455371261.db2.gz QDMKGIDUJDICFH-GDBMZVCRSA-N 2 2 332.444 3.203 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181675590 455371264 /nfs/dbraw/zinc/37/12/64/455371264.db2.gz QDMKGIDUJDICFH-GDBMZVCRSA-N 2 2 332.444 3.203 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)ccc2[nH+]1 ZINC000267312600 455537277 /nfs/dbraw/zinc/53/72/77/455537277.db2.gz DRGUCSQNIQSUFS-HNNXBMFYSA-N 2 2 326.444 3.236 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)ccc2[nH+]1 ZINC000267312600 455537280 /nfs/dbraw/zinc/53/72/80/455537280.db2.gz DRGUCSQNIQSUFS-HNNXBMFYSA-N 2 2 326.444 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247297561 455585340 /nfs/dbraw/zinc/58/53/40/455585340.db2.gz FHHAFTJGCNRMGL-YJBOKZPZSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247297561 455585343 /nfs/dbraw/zinc/58/53/43/455585343.db2.gz FHHAFTJGCNRMGL-YJBOKZPZSA-N 2 2 326.444 3.022 10 0 EGAELP FC(F)Oc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000284152334 455643987 /nfs/dbraw/zinc/64/39/87/455643987.db2.gz VSKPYUJTJVLPBM-UHFFFAOYSA-N 2 2 347.409 3.437 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247798530 455646938 /nfs/dbraw/zinc/64/69/38/455646938.db2.gz ZYJRAYIEXXWGKI-YOEHRIQHSA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247798530 455646943 /nfs/dbraw/zinc/64/69/43/455646943.db2.gz ZYJRAYIEXXWGKI-YOEHRIQHSA-N 2 2 341.434 3.475 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000271548259 455681367 /nfs/dbraw/zinc/68/13/67/455681367.db2.gz UOGSLDPUQODKCA-FTRWYGJKSA-N 2 2 326.488 3.149 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000271548259 455681369 /nfs/dbraw/zinc/68/13/69/455681369.db2.gz UOGSLDPUQODKCA-FTRWYGJKSA-N 2 2 326.488 3.149 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540411 460693613 /nfs/dbraw/zinc/69/36/13/460693613.db2.gz NARKVQWHTXTGHK-OXQOHEQNSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540411 460693618 /nfs/dbraw/zinc/69/36/18/460693618.db2.gz NARKVQWHTXTGHK-OXQOHEQNSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2ccc(F)cc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606540411 460693629 /nfs/dbraw/zinc/69/36/29/460693629.db2.gz NARKVQWHTXTGHK-OXQOHEQNSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541009 460694287 /nfs/dbraw/zinc/69/42/87/460694287.db2.gz WBIKSBYPHNDWFB-VQIMIIECSA-N 2 2 342.458 3.238 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000249891840 455781713 /nfs/dbraw/zinc/78/17/13/455781713.db2.gz QQQCGYFAKUZWCL-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000249891840 455781718 /nfs/dbraw/zinc/78/17/18/455781718.db2.gz QQQCGYFAKUZWCL-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541009 460694290 /nfs/dbraw/zinc/69/42/90/460694290.db2.gz WBIKSBYPHNDWFB-VQIMIIECSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606541009 460694297 /nfs/dbraw/zinc/69/42/97/460694297.db2.gz WBIKSBYPHNDWFB-VQIMIIECSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606541009 460694302 /nfs/dbraw/zinc/69/43/02/460694302.db2.gz WBIKSBYPHNDWFB-VQIMIIECSA-N 2 2 342.458 3.238 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)n2c1 ZINC000269344139 455839873 /nfs/dbraw/zinc/83/98/73/455839873.db2.gz HPAPFMMIRZKKAX-HNNXBMFYSA-N 2 2 331.485 3.177 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296349935 455915202 /nfs/dbraw/zinc/91/52/02/455915202.db2.gz IYBBMFZURXTRGI-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296349935 455915207 /nfs/dbraw/zinc/91/52/07/455915207.db2.gz IYBBMFZURXTRGI-INIZCTEOSA-N 2 2 340.471 3.007 10 0 EGAELP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000261922313 455972096 /nfs/dbraw/zinc/97/20/96/455972096.db2.gz BTKOTQASICLAJE-GOSISDBHSA-N 2 2 348.878 3.200 10 0 EGAELP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000261922313 455972101 /nfs/dbraw/zinc/97/21/01/455972101.db2.gz BTKOTQASICLAJE-GOSISDBHSA-N 2 2 348.878 3.200 10 0 EGAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515750 455974724 /nfs/dbraw/zinc/97/47/24/455974724.db2.gz GTSJZEPUCWXKAR-DLBZAZTESA-N 2 2 338.455 3.151 10 0 EGAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515750 455974730 /nfs/dbraw/zinc/97/47/30/455974730.db2.gz GTSJZEPUCWXKAR-DLBZAZTESA-N 2 2 338.455 3.151 10 0 EGAELP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262703088 456054531 /nfs/dbraw/zinc/05/45/31/456054531.db2.gz KAZULGDWSIMPAU-RDTXWAMCSA-N 2 2 337.895 3.063 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1OC ZINC000271196927 456166577 /nfs/dbraw/zinc/16/65/77/456166577.db2.gz OWIIOYKTMBOLSS-UHFFFAOYSA-N 2 2 335.835 3.460 10 0 EGAELP Fc1cc2[nH]cc(CC[NH2+]Cc3c[nH+]c4n3CCC4)c2cc1Cl ZINC000623800408 460722969 /nfs/dbraw/zinc/72/29/69/460722969.db2.gz IKKLKZNPQTVQJG-UHFFFAOYSA-N 2 2 332.810 3.435 10 0 EGAELP Nc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)[nH+]c2ccccc12 ZINC000301776063 456211649 /nfs/dbraw/zinc/21/16/49/456211649.db2.gz LIRISXSOVYIACH-UHFFFAOYSA-N 2 2 330.395 3.069 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000237021593 456220690 /nfs/dbraw/zinc/22/06/90/456220690.db2.gz TZCQVRMTQADLFQ-AWEZNQCLSA-N 2 2 326.868 3.321 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000237021593 456220693 /nfs/dbraw/zinc/22/06/93/456220693.db2.gz TZCQVRMTQADLFQ-AWEZNQCLSA-N 2 2 326.868 3.321 10 0 EGAELP Cn1c[nH+]cc1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000290142436 456250949 /nfs/dbraw/zinc/25/09/49/456250949.db2.gz VUQGSWBGIJBPAP-UHFFFAOYSA-N 2 2 326.469 3.452 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000297669539 456273476 /nfs/dbraw/zinc/27/34/76/456273476.db2.gz KAJPIBZTAGGSOH-MRXNPFEDSA-N 2 2 340.471 3.014 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c1)O[C@H](C)C2 ZINC000352852422 456363322 /nfs/dbraw/zinc/36/33/22/456363322.db2.gz GKVHYKGHKUIJGH-CYBMUJFWSA-N 2 2 327.428 3.121 10 0 EGAELP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000303114021 456446840 /nfs/dbraw/zinc/44/68/40/456446840.db2.gz PYRFLUZPZBCKQM-IBGZPJMESA-N 2 2 348.531 3.058 10 0 EGAELP CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282242546 456453479 /nfs/dbraw/zinc/45/34/79/456453479.db2.gz AQJAVLYEHYOTBY-KRWDZBQOSA-N 2 2 341.503 3.432 10 0 EGAELP CCn1nc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282242546 456453488 /nfs/dbraw/zinc/45/34/88/456453488.db2.gz AQJAVLYEHYOTBY-KRWDZBQOSA-N 2 2 341.503 3.432 10 0 EGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1Br ZINC000313268246 456596854 /nfs/dbraw/zinc/59/68/54/456596854.db2.gz VYSNCHVXRQWURL-SNVBAGLBSA-N 2 2 326.213 3.215 10 0 EGAELP CC(C)n1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282740197 456609139 /nfs/dbraw/zinc/60/91/39/456609139.db2.gz NDIGSSWJOYPQTJ-KRWDZBQOSA-N 2 2 327.476 3.376 10 0 EGAELP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461348 456637111 /nfs/dbraw/zinc/63/71/11/456637111.db2.gz KUPKXRRXNMHVNO-SJLPKXTDSA-N 2 2 344.409 3.220 10 0 EGAELP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461348 456637115 /nfs/dbraw/zinc/63/71/15/456637115.db2.gz KUPKXRRXNMHVNO-SJLPKXTDSA-N 2 2 344.409 3.220 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000353387257 456666232 /nfs/dbraw/zinc/66/62/32/456666232.db2.gz NYUSDGZGPGPNEE-IAGOWNOFSA-N 2 2 347.532 3.181 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343624264 456750881 /nfs/dbraw/zinc/75/08/81/456750881.db2.gz JRMGWVFGKADESC-NRFANRHFSA-N 2 2 347.466 3.369 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343624264 456750890 /nfs/dbraw/zinc/75/08/90/456750890.db2.gz JRMGWVFGKADESC-NRFANRHFSA-N 2 2 347.466 3.369 10 0 EGAELP CC[NH+]1CCN(c2ccc(CNc3ccc4ccccc4[nH+]3)cn2)CC1 ZINC000301112979 456799775 /nfs/dbraw/zinc/79/97/75/456799775.db2.gz SNPLLRSIHNIJFH-UHFFFAOYSA-N 2 2 347.466 3.384 10 0 EGAELP CCC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000341287256 456833946 /nfs/dbraw/zinc/83/39/46/456833946.db2.gz SCGULGJNJUKZHA-ROUUACIJSA-N 2 2 340.471 3.042 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144774 456867405 /nfs/dbraw/zinc/86/74/05/456867405.db2.gz MWERSQSMDKKPHS-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144774 456867409 /nfs/dbraw/zinc/86/74/09/456867409.db2.gz MWERSQSMDKKPHS-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292144774 456867412 /nfs/dbraw/zinc/86/74/12/456867412.db2.gz MWERSQSMDKKPHS-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292144774 456867415 /nfs/dbraw/zinc/86/74/15/456867415.db2.gz MWERSQSMDKKPHS-LIRRHRJNSA-N 2 2 344.434 3.273 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292153799 456870301 /nfs/dbraw/zinc/87/03/01/456870301.db2.gz NVBKANLGHLCBGC-OXJNMPFZSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292153799 456870307 /nfs/dbraw/zinc/87/03/07/456870307.db2.gz NVBKANLGHLCBGC-OXJNMPFZSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292153799 456870309 /nfs/dbraw/zinc/87/03/09/456870309.db2.gz NVBKANLGHLCBGC-OXJNMPFZSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292153799 456870312 /nfs/dbraw/zinc/87/03/12/456870312.db2.gz NVBKANLGHLCBGC-OXJNMPFZSA-N 2 2 329.488 3.165 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000344960825 456878951 /nfs/dbraw/zinc/87/89/51/456878951.db2.gz FIPGIOVVRYYIMD-APWZRJJASA-N 2 2 325.456 3.058 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000344960825 456878953 /nfs/dbraw/zinc/87/89/53/456878953.db2.gz FIPGIOVVRYYIMD-APWZRJJASA-N 2 2 325.456 3.058 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339183263 456981385 /nfs/dbraw/zinc/98/13/85/456981385.db2.gz ZVWJAUCFKVAZQJ-GXTWGEPZSA-N 2 2 334.261 3.181 10 0 EGAELP COc1cccc(N2CC[C@H](C[NH2+]CCCc3ccc(C)[nH+]c3)C2)c1 ZINC000354159170 457100670 /nfs/dbraw/zinc/10/06/70/457100670.db2.gz SXWHBCLCLRBUCE-LJQANCHMSA-N 2 2 339.483 3.447 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339735940 457241426 /nfs/dbraw/zinc/24/14/26/457241426.db2.gz DGRFCVSGHHYMII-IBGZPJMESA-N 2 2 327.472 3.458 10 0 EGAELP COCC[NH+]1CCC(Nc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000354502288 457260310 /nfs/dbraw/zinc/26/03/10/457260310.db2.gz FGYQPJDMBDIXHX-UHFFFAOYSA-N 2 2 341.455 3.183 10 0 EGAELP CC(C)(C[NH2+]Cc1nccn1Cc1ccccc1)C[NH+]1CCCC1 ZINC000360170005 457286851 /nfs/dbraw/zinc/28/68/51/457286851.db2.gz WAXSWRHDEYUUKJ-UHFFFAOYSA-N 2 2 326.488 3.143 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360841482 457378677 /nfs/dbraw/zinc/37/86/77/457378677.db2.gz RXWHMTYBNKYSJY-ZBFHGGJFSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360841482 457378681 /nfs/dbraw/zinc/37/86/81/457378681.db2.gz RXWHMTYBNKYSJY-ZBFHGGJFSA-N 2 2 344.421 3.337 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000342606864 457398514 /nfs/dbraw/zinc/39/85/14/457398514.db2.gz QJTJTXFNYREGMO-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000363682975 457414996 /nfs/dbraw/zinc/41/49/96/457414996.db2.gz YDFHPEYCQIQKBH-KRWDZBQOSA-N 2 2 347.890 3.393 10 0 EGAELP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000363682975 457415001 /nfs/dbraw/zinc/41/50/01/457415001.db2.gz YDFHPEYCQIQKBH-KRWDZBQOSA-N 2 2 347.890 3.393 10 0 EGAELP COCC[N@H+](CCOc1ccc(F)cc1)Cc1c[nH+]cn1C(C)C ZINC000425329654 457501696 /nfs/dbraw/zinc/50/16/96/457501696.db2.gz ADBWRQFEHHBOEU-UHFFFAOYSA-N 2 2 335.423 3.131 10 0 EGAELP COCC[N@@H+](CCOc1ccc(F)cc1)Cc1c[nH+]cn1C(C)C ZINC000425329654 457501703 /nfs/dbraw/zinc/50/17/03/457501703.db2.gz ADBWRQFEHHBOEU-UHFFFAOYSA-N 2 2 335.423 3.131 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374198545 457519099 /nfs/dbraw/zinc/51/90/99/457519099.db2.gz OOCJDVSCXFNPBA-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425415301 457542060 /nfs/dbraw/zinc/54/20/60/457542060.db2.gz FALXYAHNONECKD-KRWDZBQOSA-N 2 2 347.466 3.332 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425415301 457542070 /nfs/dbraw/zinc/54/20/70/457542070.db2.gz FALXYAHNONECKD-KRWDZBQOSA-N 2 2 347.466 3.332 10 0 EGAELP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320158 457583833 /nfs/dbraw/zinc/58/38/33/457583833.db2.gz GCUIBDKWGPAFDC-CVEARBPZSA-N 2 2 333.476 3.131 10 0 EGAELP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320158 457583839 /nfs/dbraw/zinc/58/38/39/457583839.db2.gz GCUIBDKWGPAFDC-CVEARBPZSA-N 2 2 333.476 3.131 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCO2 ZINC000361164244 457623110 /nfs/dbraw/zinc/62/31/10/457623110.db2.gz PLRUIFMYSRZZTH-IBGZPJMESA-N 2 2 344.499 3.443 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001944 457736304 /nfs/dbraw/zinc/73/63/04/457736304.db2.gz FWPRCHMWVIWOKX-BIENJYKASA-N 2 2 327.472 3.168 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000358001944 457736309 /nfs/dbraw/zinc/73/63/09/457736309.db2.gz FWPRCHMWVIWOKX-BIENJYKASA-N 2 2 327.472 3.168 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000358062608 457761461 /nfs/dbraw/zinc/76/14/61/457761461.db2.gz NNGISNYHIMLMRC-AWEZNQCLSA-N 2 2 347.894 3.444 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)C2)cc1 ZINC000358229421 457874158 /nfs/dbraw/zinc/87/41/58/457874158.db2.gz QPHOYSNHWRUNRU-HXUWFJFHSA-N 2 2 336.483 3.151 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)C2)cc1 ZINC000358229421 457874164 /nfs/dbraw/zinc/87/41/64/457874164.db2.gz QPHOYSNHWRUNRU-HXUWFJFHSA-N 2 2 336.483 3.151 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271287 457901923 /nfs/dbraw/zinc/90/19/23/457901923.db2.gz XVBKMIAXIFCJPE-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000358271287 457901928 /nfs/dbraw/zinc/90/19/28/457901928.db2.gz XVBKMIAXIFCJPE-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C[NH+]1CCOCC1 ZINC000361890783 457935101 /nfs/dbraw/zinc/93/51/01/457935101.db2.gz GEMINHWGLPYDPO-MSOLQXFVSA-N 2 2 339.483 3.368 10 0 EGAELP Cn1cc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)C)cn1 ZINC000358782780 458214334 /nfs/dbraw/zinc/21/43/34/458214334.db2.gz GTNGBVGYWARPKG-SFHVURJKSA-N 2 2 327.476 3.161 10 0 EGAELP O[C@H]([C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973878 458252659 /nfs/dbraw/zinc/25/26/59/458252659.db2.gz FTPNUYMCGNQIHW-BXUZGUMPSA-N 2 2 345.390 3.069 10 0 EGAELP O[C@H]([C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(F)(F)F ZINC000446973878 458252663 /nfs/dbraw/zinc/25/26/63/458252663.db2.gz FTPNUYMCGNQIHW-BXUZGUMPSA-N 2 2 345.390 3.069 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543920 458308046 /nfs/dbraw/zinc/30/80/46/458308046.db2.gz UBTUVTDLIWIWJC-PLACYPQZSA-N 3 2 327.516 3.112 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447543920 458308049 /nfs/dbraw/zinc/30/80/49/458308049.db2.gz UBTUVTDLIWIWJC-PLACYPQZSA-N 3 2 327.516 3.112 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000429718614 458363421 /nfs/dbraw/zinc/36/34/21/458363421.db2.gz NIMDOOIIFOHKHR-UHFFFAOYSA-N 2 2 330.403 3.451 10 0 EGAELP CCOc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000376789312 458389867 /nfs/dbraw/zinc/38/98/67/458389867.db2.gz HACRSRNCHRRYAY-UHFFFAOYSA-N 2 2 342.443 3.017 10 0 EGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408704 458499262 /nfs/dbraw/zinc/49/92/62/458499262.db2.gz GEJCMHZGFAQSPF-HZMBPMFUSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408704 458499265 /nfs/dbraw/zinc/49/92/65/458499265.db2.gz GEJCMHZGFAQSPF-HZMBPMFUSA-N 2 2 332.245 3.307 10 0 EGAELP CC[NH+]1CCN(Cc2ccc(NCc3c[nH+]cn3C(C)C)cc2)CC1 ZINC000424163962 458574860 /nfs/dbraw/zinc/57/48/60/458574860.db2.gz YKCQDSBWQUESOI-UHFFFAOYSA-N 2 2 341.503 3.214 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304326 458611199 /nfs/dbraw/zinc/61/11/99/458611199.db2.gz QWPYBVJPLFKGRK-JRAOJMNRSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304326 458611206 /nfs/dbraw/zinc/61/12/06/458611206.db2.gz QWPYBVJPLFKGRK-JRAOJMNRSA-N 2 2 328.500 3.443 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215501 458720009 /nfs/dbraw/zinc/72/00/09/458720009.db2.gz GQZPCCFNESNERN-XSDIEEQYSA-N 3 2 339.527 3.161 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215501 458720015 /nfs/dbraw/zinc/72/00/15/458720015.db2.gz GQZPCCFNESNERN-XSDIEEQYSA-N 3 2 339.527 3.161 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984973 458853399 /nfs/dbraw/zinc/85/33/99/458853399.db2.gz CMSKCVIPBIINOH-ZLDLUXBVSA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984973 458853402 /nfs/dbraw/zinc/85/34/02/458853402.db2.gz CMSKCVIPBIINOH-ZLDLUXBVSA-N 2 2 328.287 3.112 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)Cc1ccccc1 ZINC000474032419 458855808 /nfs/dbraw/zinc/85/58/08/458855808.db2.gz JCFZJKXMOCDORU-PLACYPQZSA-N 2 2 330.516 3.344 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000518358541 458861269 /nfs/dbraw/zinc/86/12/69/458861269.db2.gz UXEDYDZACQGUIT-SFHVURJKSA-N 2 2 349.438 3.039 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000518358541 458861274 /nfs/dbraw/zinc/86/12/74/458861274.db2.gz UXEDYDZACQGUIT-SFHVURJKSA-N 2 2 349.438 3.039 10 0 EGAELP CC(C)C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258878 458872658 /nfs/dbraw/zinc/87/26/58/458872658.db2.gz MGSCXSBKMHFCNS-CTNGQTDRSA-N 2 2 330.516 3.470 10 0 EGAELP CC(C)C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258878 458872665 /nfs/dbraw/zinc/87/26/65/458872665.db2.gz MGSCXSBKMHFCNS-CTNGQTDRSA-N 2 2 330.516 3.470 10 0 EGAELP CN(c1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417072 458939283 /nfs/dbraw/zinc/93/92/83/458939283.db2.gz QWLXJTQRUNRNFC-KSSFIOAISA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000441417072 458939293 /nfs/dbraw/zinc/93/92/93/458939293.db2.gz QWLXJTQRUNRNFC-KSSFIOAISA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417072 458939300 /nfs/dbraw/zinc/93/93/00/458939300.db2.gz QWLXJTQRUNRNFC-KSSFIOAISA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1)C1CC1 ZINC000441417072 458939308 /nfs/dbraw/zinc/93/93/08/458939308.db2.gz QWLXJTQRUNRNFC-KSSFIOAISA-N 2 2 346.544 3.190 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983908 459012961 /nfs/dbraw/zinc/01/29/61/459012961.db2.gz MEGHLGRYKDJMSX-IAGOWNOFSA-N 2 2 331.504 3.459 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983908 459012966 /nfs/dbraw/zinc/01/29/66/459012966.db2.gz MEGHLGRYKDJMSX-IAGOWNOFSA-N 2 2 331.504 3.459 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000567381835 459097464 /nfs/dbraw/zinc/09/74/64/459097464.db2.gz NBBPYDXCWTUHKZ-FVVAQGSASA-N 2 2 326.444 3.273 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000567381835 459097468 /nfs/dbraw/zinc/09/74/68/459097468.db2.gz NBBPYDXCWTUHKZ-FVVAQGSASA-N 2 2 326.444 3.273 10 0 EGAELP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCOC1 ZINC000479480861 459142858 /nfs/dbraw/zinc/14/28/58/459142858.db2.gz TZXVDPCTLOETBU-TWRYWWQQSA-N 2 2 334.426 3.196 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000595005343 459212626 /nfs/dbraw/zinc/21/26/26/459212626.db2.gz XHRZGRFRZIXZNL-MRXNPFEDSA-N 2 2 343.471 3.389 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000560521480 459364706 /nfs/dbraw/zinc/36/47/06/459364706.db2.gz RZVZJUCKEZOWTN-XSDIEEQYSA-N 2 2 327.516 3.286 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000560521480 459364709 /nfs/dbraw/zinc/36/47/09/459364709.db2.gz RZVZJUCKEZOWTN-XSDIEEQYSA-N 2 2 327.516 3.286 10 0 EGAELP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582904330 459449681 /nfs/dbraw/zinc/44/96/81/459449681.db2.gz MVGVHOWXXICTJI-IBGZPJMESA-N 3 2 329.532 3.361 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C2 ZINC000569521928 459463934 /nfs/dbraw/zinc/46/39/34/459463934.db2.gz OTYSXLVDZCSORM-HRCADAONSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C2 ZINC000569521928 459463941 /nfs/dbraw/zinc/46/39/41/459463941.db2.gz OTYSXLVDZCSORM-HRCADAONSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000569521928 459463947 /nfs/dbraw/zinc/46/39/47/459463947.db2.gz OTYSXLVDZCSORM-HRCADAONSA-N 2 2 346.519 3.017 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)CC2 ZINC000569521928 459463952 /nfs/dbraw/zinc/46/39/52/459463952.db2.gz OTYSXLVDZCSORM-HRCADAONSA-N 2 2 346.519 3.017 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccncc23)[C@H]1c1ccc(F)c(F)c1 ZINC000485976379 459483002 /nfs/dbraw/zinc/48/30/02/459483002.db2.gz JGUNIWTZVTYJMY-RBUKOAKNSA-N 2 2 340.377 3.187 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc[nH+]c3ccncc23)[C@H]1c1ccc(F)c(F)c1 ZINC000485976379 459483006 /nfs/dbraw/zinc/48/30/06/459483006.db2.gz JGUNIWTZVTYJMY-RBUKOAKNSA-N 2 2 340.377 3.187 10 0 EGAELP OC[C@@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCc2ccccc21 ZINC000583242094 459507128 /nfs/dbraw/zinc/50/71/28/459507128.db2.gz MOEIQPVMGASHHF-IBGZPJMESA-N 2 2 339.464 3.248 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1SC ZINC000592399991 459593968 /nfs/dbraw/zinc/59/39/68/459593968.db2.gz LDTZVGKQRFRSDK-LIRZEXBASA-N 2 2 331.485 3.432 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592529 459672832 /nfs/dbraw/zinc/67/28/32/459672832.db2.gz WSMZRXOVSUUUHE-DOTOQJQBSA-N 2 2 329.513 3.312 10 0 EGAELP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1OC ZINC000527653502 459685793 /nfs/dbraw/zinc/68/57/93/459685793.db2.gz LMGYSASNRWTHNQ-HNNXBMFYSA-N 2 2 338.467 3.443 10 0 EGAELP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)cc1OC ZINC000527653502 459685796 /nfs/dbraw/zinc/68/57/96/459685796.db2.gz LMGYSASNRWTHNQ-HNNXBMFYSA-N 2 2 338.467 3.443 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000563154115 459724310 /nfs/dbraw/zinc/72/43/10/459724310.db2.gz GPAFWYRXHGTMDJ-SFHVURJKSA-N 2 2 343.858 3.227 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000563154115 459724316 /nfs/dbraw/zinc/72/43/16/459724316.db2.gz GPAFWYRXHGTMDJ-SFHVURJKSA-N 2 2 343.858 3.227 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173556 459861986 /nfs/dbraw/zinc/86/19/86/459861986.db2.gz JZFUICPCAQWOBX-SFHVURJKSA-N 2 2 341.455 3.170 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173556 459861992 /nfs/dbraw/zinc/86/19/92/459861992.db2.gz JZFUICPCAQWOBX-SFHVURJKSA-N 2 2 341.455 3.170 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000545864590 459864408 /nfs/dbraw/zinc/86/44/08/459864408.db2.gz CIJMLSBBCACRKZ-HNNXBMFYSA-N 2 2 335.879 3.299 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000545864590 459864413 /nfs/dbraw/zinc/86/44/13/459864413.db2.gz CIJMLSBBCACRKZ-HNNXBMFYSA-N 2 2 335.879 3.299 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000593696523 459956185 /nfs/dbraw/zinc/95/61/85/459956185.db2.gz GKSBQMLHSCWKON-QGZVFWFLSA-N 2 2 344.459 3.128 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000593696523 459956192 /nfs/dbraw/zinc/95/61/92/459956192.db2.gz GKSBQMLHSCWKON-QGZVFWFLSA-N 2 2 344.459 3.128 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000575320538 459958686 /nfs/dbraw/zinc/95/86/86/459958686.db2.gz YDFGIFXUIGZMTB-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000575320538 459958691 /nfs/dbraw/zinc/95/86/91/459958691.db2.gz YDFGIFXUIGZMTB-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719380 460024189 /nfs/dbraw/zinc/02/41/89/460024189.db2.gz KYCOFGPBCZMWOX-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719380 460024195 /nfs/dbraw/zinc/02/41/95/460024195.db2.gz KYCOFGPBCZMWOX-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719380 460024204 /nfs/dbraw/zinc/02/42/04/460024204.db2.gz KYCOFGPBCZMWOX-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnn3CCc3ccccc3)CC[C@H]21 ZINC000621719380 460024214 /nfs/dbraw/zinc/02/42/14/460024214.db2.gz KYCOFGPBCZMWOX-PZJWPPBQSA-N 2 2 338.499 3.042 10 0 EGAELP COC(=O)CCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000589190489 460048694 /nfs/dbraw/zinc/04/86/94/460048694.db2.gz SAZWFUZSXHGSPN-SFHVURJKSA-N 2 2 332.488 3.363 10 0 EGAELP COC(=O)CCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000589190489 460048699 /nfs/dbraw/zinc/04/86/99/460048699.db2.gz SAZWFUZSXHGSPN-SFHVURJKSA-N 2 2 332.488 3.363 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614350211 460109909 /nfs/dbraw/zinc/10/99/09/460109909.db2.gz WLHAPHIOKGFDMK-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614350211 460109915 /nfs/dbraw/zinc/10/99/15/460109915.db2.gz WLHAPHIOKGFDMK-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP CN(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000625983314 460325718 /nfs/dbraw/zinc/32/57/18/460325718.db2.gz LINHOVSTCFWHQG-MRXNPFEDSA-N 2 2 341.286 3.473 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000626087739 460366036 /nfs/dbraw/zinc/36/60/36/460366036.db2.gz ZYIBIFMHMQSCGZ-UHFFFAOYSA-N 2 2 332.488 3.032 10 0 EGAELP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000600137392 460400120 /nfs/dbraw/zinc/40/01/20/460400120.db2.gz NKKXILVPVBGENC-UHFFFAOYSA-N 2 2 345.487 3.145 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771079 460439095 /nfs/dbraw/zinc/43/90/95/460439095.db2.gz MJQDQICMVGZKIS-QWHCGFSZSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771079 460439101 /nfs/dbraw/zinc/43/91/01/460439101.db2.gz MJQDQICMVGZKIS-QWHCGFSZSA-N 2 2 343.393 3.106 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000628495658 460442698 /nfs/dbraw/zinc/44/26/98/460442698.db2.gz WPRLXDMEPQMRPU-UHFFFAOYSA-N 2 2 338.386 3.109 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000628495658 460442703 /nfs/dbraw/zinc/44/27/03/460442703.db2.gz WPRLXDMEPQMRPU-UHFFFAOYSA-N 2 2 338.386 3.109 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000631659211 460494065 /nfs/dbraw/zinc/49/40/65/460494065.db2.gz KKGXIZMINNBOMK-CJBNDPTMSA-N 2 2 326.843 3.117 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000631659211 460494068 /nfs/dbraw/zinc/49/40/68/460494068.db2.gz KKGXIZMINNBOMK-CJBNDPTMSA-N 2 2 326.843 3.117 10 0 EGAELP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000631658792 460494197 /nfs/dbraw/zinc/49/41/97/460494197.db2.gz INXYCLUSAULXAC-QGZVFWFLSA-N 2 2 326.843 3.119 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+]CC3([C@H]4CCCCO4)CCC3)CC2)ccn1 ZINC000631731153 460535758 /nfs/dbraw/zinc/53/57/58/460535758.db2.gz ILZMPZKKAAOMBP-HXUWFJFHSA-N 2 2 343.515 3.375 10 0 EGAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421627 460539273 /nfs/dbraw/zinc/53/92/73/460539273.db2.gz TYXKYOFFEGKLJX-FIRPJDEBSA-N 2 2 328.500 3.038 10 0 EGAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421627 460539280 /nfs/dbraw/zinc/53/92/80/460539280.db2.gz TYXKYOFFEGKLJX-FIRPJDEBSA-N 2 2 328.500 3.038 10 0 EGAELP CCCCCN(C)c1ccc(F)cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387814 460746848 /nfs/dbraw/zinc/74/68/48/460746848.db2.gz KNLSKIBDKVFNIN-UHFFFAOYSA-N 2 2 337.483 3.050 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629523590 460794181 /nfs/dbraw/zinc/79/41/81/460794181.db2.gz HZNABESIGIZULL-BYCMXARLSA-N 2 2 343.393 3.153 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000629547095 460803748 /nfs/dbraw/zinc/80/37/48/460803748.db2.gz GFKZIOPGSMQSQQ-GDLCADMTSA-N 2 2 325.250 3.003 10 0 EGAELP O[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C[NH+]1CCCC1 ZINC000629579203 460813122 /nfs/dbraw/zinc/81/31/22/460813122.db2.gz BSAPZMMKBUIYRZ-LJQANCHMSA-N 2 2 328.431 3.039 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077628 460848156 /nfs/dbraw/zinc/84/81/56/460848156.db2.gz WCNGKPKPGDUXDB-YLJYHZDGSA-N 2 2 343.515 3.425 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077628 460848167 /nfs/dbraw/zinc/84/81/67/460848167.db2.gz WCNGKPKPGDUXDB-YLJYHZDGSA-N 2 2 343.515 3.425 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659644 460853196 /nfs/dbraw/zinc/85/31/96/460853196.db2.gz DPMSIXOIARMPAN-ACJLOTCBSA-N 2 2 346.906 3.432 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[NH2+]1 ZINC000629660176 460853246 /nfs/dbraw/zinc/85/32/46/460853246.db2.gz PJNJLBYGFLFMOL-LPHOPBHVSA-N 2 2 347.466 3.164 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123990 460872604 /nfs/dbraw/zinc/87/26/04/460872604.db2.gz VGFPLJOJDGDPCW-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000624123990 460872608 /nfs/dbraw/zinc/87/26/08/460872608.db2.gz VGFPLJOJDGDPCW-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770071 460916079 /nfs/dbraw/zinc/91/60/79/460916079.db2.gz JTMKGVWQHVAPMD-MJGOQNOKSA-N 2 2 342.487 3.107 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770071 460916084 /nfs/dbraw/zinc/91/60/84/460916084.db2.gz JTMKGVWQHVAPMD-MJGOQNOKSA-N 2 2 342.487 3.107 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000621256656 460964387 /nfs/dbraw/zinc/96/43/87/460964387.db2.gz OVXYEAXIZSSDHE-UHFFFAOYSA-N 2 2 346.906 3.214 10 0 EGAELP CN(C)c1ncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000608069557 460976599 /nfs/dbraw/zinc/97/65/99/460976599.db2.gz CFHCZZPTEDBAKC-MRXNPFEDSA-N 2 2 341.484 3.016 10 0 EGAELP CC[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161079 461148168 /nfs/dbraw/zinc/14/81/68/461148168.db2.gz QIGGXVCPLKXWPF-UHFFFAOYSA-N 2 2 327.476 3.087 10 0 EGAELP CC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161079 461148176 /nfs/dbraw/zinc/14/81/76/461148176.db2.gz QIGGXVCPLKXWPF-UHFFFAOYSA-N 2 2 327.476 3.087 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662262413 461150121 /nfs/dbraw/zinc/15/01/21/461150121.db2.gz FFKGJMMBMAEPBL-RDJZCZTQSA-N 2 2 345.512 3.408 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662262413 461150132 /nfs/dbraw/zinc/15/01/32/461150132.db2.gz FFKGJMMBMAEPBL-RDJZCZTQSA-N 2 2 345.512 3.408 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662264649 461150634 /nfs/dbraw/zinc/15/06/34/461150634.db2.gz RYSPIJBQPMTNDG-GDBMZVCRSA-N 2 2 331.485 3.100 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662264649 461150635 /nfs/dbraw/zinc/15/06/35/461150635.db2.gz RYSPIJBQPMTNDG-GDBMZVCRSA-N 2 2 331.485 3.100 10 0 EGAELP [NH3+][C@H]1CCc2ccccc2N(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000662303515 461180135 /nfs/dbraw/zinc/18/01/35/461180135.db2.gz WVSZLBVIHHYJFV-HNNXBMFYSA-N 2 2 326.831 3.268 10 0 EGAELP C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649577973 461189147 /nfs/dbraw/zinc/18/91/47/461189147.db2.gz APJJMKOUJFZPGT-PKOBYXMFSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649577973 461189153 /nfs/dbraw/zinc/18/91/53/461189153.db2.gz APJJMKOUJFZPGT-PKOBYXMFSA-N 2 2 338.499 3.220 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649591527 461200410 /nfs/dbraw/zinc/20/04/10/461200410.db2.gz ABRRDFGKHUEYMW-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649591527 461200419 /nfs/dbraw/zinc/20/04/19/461200419.db2.gz ABRRDFGKHUEYMW-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@H+](CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659283966 461274140 /nfs/dbraw/zinc/27/41/40/461274140.db2.gz DTNHIXMCIAXXQE-HXUWFJFHSA-N 2 2 337.467 3.254 10 0 EGAELP CC[N@@H+](CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1 ZINC000659283966 461274147 /nfs/dbraw/zinc/27/41/47/461274147.db2.gz DTNHIXMCIAXXQE-HXUWFJFHSA-N 2 2 337.467 3.254 10 0 EGAELP [NH3+][C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[C@H]1F ZINC000659389414 461326011 /nfs/dbraw/zinc/32/60/11/461326011.db2.gz UHKMMQULBSOCKN-HUUCEWRRSA-N 2 2 349.793 3.039 10 0 EGAELP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000662792553 461370545 /nfs/dbraw/zinc/37/05/45/461370545.db2.gz WGFKMZMJFKILBJ-SJORKVTESA-N 2 2 349.494 3.042 10 0 EGAELP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccncc2)cc1 ZINC000655700554 461372044 /nfs/dbraw/zinc/37/20/44/461372044.db2.gz MQNRSGYVDXKPCU-RTWAWAEBSA-N 2 2 337.467 3.014 10 0 EGAELP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccncc2)cc1 ZINC000655700552 461372431 /nfs/dbraw/zinc/37/24/31/461372431.db2.gz MQNRSGYVDXKPCU-LEWJYISDSA-N 2 2 337.467 3.014 10 0 EGAELP C[C@@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CS1 ZINC000655743856 461409010 /nfs/dbraw/zinc/40/90/10/461409010.db2.gz KHOXNBWBFISXDO-CABCVRRESA-N 2 2 334.533 3.308 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c[nH+]1 ZINC000668819742 461451174 /nfs/dbraw/zinc/45/11/74/461451174.db2.gz XATRFBLUFLSBPL-IBGZPJMESA-N 2 2 325.456 3.211 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000642190912 461466488 /nfs/dbraw/zinc/46/64/88/461466488.db2.gz FYNWFJGGIYGBNG-CYBMUJFWSA-N 2 2 339.418 3.172 10 0 EGAELP C[N@@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@H]21 ZINC000642207715 461470449 /nfs/dbraw/zinc/47/04/49/461470449.db2.gz CPIJTJATVXSBBX-BLLLJJGKSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[C@H]21 ZINC000642207715 461470455 /nfs/dbraw/zinc/47/04/55/461470455.db2.gz CPIJTJATVXSBBX-BLLLJJGKSA-N 2 2 339.418 3.171 10 0 EGAELP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000631042522 461495974 /nfs/dbraw/zinc/49/59/74/461495974.db2.gz KMPHFLOTUQKWCK-UHFFFAOYSA-N 2 2 341.503 3.381 10 0 EGAELP COc1cncc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000631064599 461517615 /nfs/dbraw/zinc/51/76/15/461517615.db2.gz LZZKHHZSYCSZDA-APWZRJJASA-N 2 2 325.456 3.324 10 0 EGAELP COc1cncc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000631064599 461517623 /nfs/dbraw/zinc/51/76/23/461517623.db2.gz LZZKHHZSYCSZDA-APWZRJJASA-N 2 2 325.456 3.324 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172462 461543743 /nfs/dbraw/zinc/54/37/43/461543743.db2.gz XPGLGXMZGABJPF-QHAWAJNXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172462 461543750 /nfs/dbraw/zinc/54/37/50/461543750.db2.gz XPGLGXMZGABJPF-QHAWAJNXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172462 461543756 /nfs/dbraw/zinc/54/37/56/461543756.db2.gz XPGLGXMZGABJPF-QHAWAJNXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172462 461543764 /nfs/dbraw/zinc/54/37/64/461543764.db2.gz XPGLGXMZGABJPF-QHAWAJNXSA-N 3 2 339.527 3.400 10 0 EGAELP COc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000647233053 461577156 /nfs/dbraw/zinc/57/71/56/461577156.db2.gz QHQRPQMMAIKIMQ-UHFFFAOYSA-N 2 2 337.467 3.334 10 0 EGAELP Fc1ccccc1COc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663501365 461675156 /nfs/dbraw/zinc/67/51/56/461675156.db2.gz FSXXGKZNWXCVQP-UHFFFAOYSA-N 2 2 326.415 3.246 10 0 EGAELP CCOc1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480386 461727581 /nfs/dbraw/zinc/72/75/81/461727581.db2.gz LHJDMVZFMDBQFF-PKOBYXMFSA-N 2 2 348.535 3.210 10 0 EGAELP CCOc1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480386 461727590 /nfs/dbraw/zinc/72/75/90/461727590.db2.gz LHJDMVZFMDBQFF-PKOBYXMFSA-N 2 2 348.535 3.210 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480988 461730040 /nfs/dbraw/zinc/73/00/40/461730040.db2.gz MWSCPXVFWAXGTE-DZGCQCFKSA-N 2 2 340.414 3.261 10 0 EGAELP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480988 461730049 /nfs/dbraw/zinc/73/00/49/461730049.db2.gz MWSCPXVFWAXGTE-DZGCQCFKSA-N 2 2 340.414 3.261 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000663727806 461776875 /nfs/dbraw/zinc/77/68/75/461776875.db2.gz HUKRLSVPDVCVAJ-CQSZACIVSA-N 2 2 329.366 3.074 10 0 EGAELP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541798 461842755 /nfs/dbraw/zinc/84/27/55/461842755.db2.gz YJBNGXWKBAUSJU-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541798 461842764 /nfs/dbraw/zinc/84/27/64/461842764.db2.gz YJBNGXWKBAUSJU-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000660541798 461842773 /nfs/dbraw/zinc/84/27/73/461842773.db2.gz YJBNGXWKBAUSJU-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000660541798 461842782 /nfs/dbraw/zinc/84/27/82/461842782.db2.gz YJBNGXWKBAUSJU-QZTJIDSGSA-N 2 2 336.426 3.009 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000656701818 461848193 /nfs/dbraw/zinc/84/81/93/461848193.db2.gz CTQRRYDMHMIGPR-ZWKOTPCHSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000656701818 461848199 /nfs/dbraw/zinc/84/81/99/461848199.db2.gz CTQRRYDMHMIGPR-ZWKOTPCHSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)[N@H+]1CCCC[C@@H]1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000663922357 461871384 /nfs/dbraw/zinc/87/13/84/461871384.db2.gz RIAURYABZCFSGJ-HZPDHXFCSA-N 2 2 330.476 3.092 10 0 EGAELP CC(C)[N@@H+]1CCCC[C@@H]1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000663922357 461871390 /nfs/dbraw/zinc/87/13/90/461871390.db2.gz RIAURYABZCFSGJ-HZPDHXFCSA-N 2 2 330.476 3.092 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901373 461876670 /nfs/dbraw/zinc/87/66/70/461876670.db2.gz NGZRDXMNSFQSHZ-UFYCRDLUSA-N 2 2 343.515 3.060 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901373 461876673 /nfs/dbraw/zinc/87/66/73/461876673.db2.gz NGZRDXMNSFQSHZ-UFYCRDLUSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902003 461877462 /nfs/dbraw/zinc/87/74/62/461877462.db2.gz YNAGRNXZXHRUAW-MGPQQGTHSA-N 2 2 332.473 3.323 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902003 461877468 /nfs/dbraw/zinc/87/74/68/461877468.db2.gz YNAGRNXZXHRUAW-MGPQQGTHSA-N 2 2 332.473 3.323 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902851 461879208 /nfs/dbraw/zinc/87/92/08/461879208.db2.gz CTVSXNPNOBWCNC-DOTOQJQBSA-N 2 2 344.434 3.148 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902851 461879216 /nfs/dbraw/zinc/87/92/16/461879216.db2.gz CTVSXNPNOBWCNC-DOTOQJQBSA-N 2 2 344.434 3.148 10 0 EGAELP COCCN(C)c1ccc(CNc2[nH+]ccc(C)c2C2CC2)c[nH+]1 ZINC000656779290 461889886 /nfs/dbraw/zinc/88/98/86/461889886.db2.gz LCHAGEPINJVSJU-UHFFFAOYSA-N 2 2 326.444 3.357 10 0 EGAELP c1ccc(-c2ncc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)cn2)cc1 ZINC000656789415 461899280 /nfs/dbraw/zinc/89/92/80/461899280.db2.gz YAGDOZZXPAOYHO-NHCUHLMSSA-N 2 2 344.462 3.379 10 0 EGAELP Clc1ccc2[nH+]cc(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656791888 461901399 /nfs/dbraw/zinc/90/13/99/461901399.db2.gz HRVLYUKKHXBZCB-QGZVFWFLSA-N 2 2 342.830 3.261 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991496 461927072 /nfs/dbraw/zinc/92/70/72/461927072.db2.gz CLOBTPDVEOBACW-GOSISDBHSA-N 3 2 330.520 3.179 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991496 461927080 /nfs/dbraw/zinc/92/70/80/461927080.db2.gz CLOBTPDVEOBACW-GOSISDBHSA-N 3 2 330.520 3.179 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647997576 461930342 /nfs/dbraw/zinc/93/03/42/461930342.db2.gz PHTHKNURFAPSDO-XJKSGUPXSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647997576 461930347 /nfs/dbraw/zinc/93/03/47/461930347.db2.gz PHTHKNURFAPSDO-XJKSGUPXSA-N 2 2 326.843 3.242 10 0 EGAELP CC[NH+](CC)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657286814 462017433 /nfs/dbraw/zinc/01/74/33/462017433.db2.gz RUWLHUHSZOKKIF-OAQYLSRUSA-N 2 2 349.482 3.440 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657335535 462054838 /nfs/dbraw/zinc/05/48/38/462054838.db2.gz GDWLOWWCGGBOMJ-UHFFFAOYSA-N 3 2 339.487 3.012 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)n1-c1ccccc1 ZINC000657385381 462088788 /nfs/dbraw/zinc/08/87/88/462088788.db2.gz UKEJAVJNPSBKJR-UHFFFAOYSA-N 2 2 349.360 3.223 10 0 EGAELP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667487493 462106414 /nfs/dbraw/zinc/10/64/14/462106414.db2.gz ZNXBIZCJEILQPR-KRWDZBQOSA-N 2 2 327.428 3.184 10 0 EGAELP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667487493 462106420 /nfs/dbraw/zinc/10/64/20/462106420.db2.gz ZNXBIZCJEILQPR-KRWDZBQOSA-N 2 2 327.428 3.184 10 0 EGAELP CC(C)Cc1ccc([C@H](C[NH2+]Cc2cnn3c2CCC3)[NH+](C)C)cc1 ZINC000657466904 462140549 /nfs/dbraw/zinc/14/05/49/462140549.db2.gz RWWWBOYEVOMEHA-NRFANRHFSA-N 2 2 340.515 3.420 10 0 EGAELP Fc1cncc(Br)c1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667587107 462159335 /nfs/dbraw/zinc/15/93/35/462159335.db2.gz HEEOGCCQSKDBDC-NSHDSACASA-N 2 2 339.212 3.017 10 0 EGAELP Fc1cncc(Br)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667587107 462159338 /nfs/dbraw/zinc/15/93/38/462159338.db2.gz HEEOGCCQSKDBDC-NSHDSACASA-N 2 2 339.212 3.017 10 0 EGAELP Fc1cncc(Br)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667587107 462159340 /nfs/dbraw/zinc/15/93/40/462159340.db2.gz HEEOGCCQSKDBDC-NSHDSACASA-N 2 2 339.212 3.017 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000648803311 462286592 /nfs/dbraw/zinc/28/65/92/462286592.db2.gz MFJIZNLMHBKTRN-GFCCVEGCSA-N 2 2 325.416 3.230 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCSCC3)[nH+]c2)CC1 ZINC000657949746 462327154 /nfs/dbraw/zinc/32/71/54/462327154.db2.gz LQCSHJHIZKZLPT-HNNXBMFYSA-N 2 2 334.533 3.310 10 0 EGAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244143 462365951 /nfs/dbraw/zinc/36/59/51/462365951.db2.gz HBECHVOECAEIEM-RDTXWAMCSA-N 2 2 328.431 3.415 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](CCF)C3)c2cc1C ZINC000661693630 462370316 /nfs/dbraw/zinc/37/03/16/462370316.db2.gz QUBOJVGPXCVZPV-DLBZAZTESA-N 2 2 333.451 3.086 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](CCF)C3)c2cc1C ZINC000661693630 462370327 /nfs/dbraw/zinc/37/03/27/462370327.db2.gz QUBOJVGPXCVZPV-DLBZAZTESA-N 2 2 333.451 3.086 10 0 EGAELP Cc1cc(Br)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)s1 ZINC000665267165 462376906 /nfs/dbraw/zinc/37/69/06/462376906.db2.gz QTKLCYCQOMUEST-SECBINFHSA-N 2 2 326.263 3.477 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651928761 462381974 /nfs/dbraw/zinc/38/19/74/462381974.db2.gz SIGWMVQUMIJRAY-INIZCTEOSA-N 2 2 334.426 3.198 10 0 EGAELP Cc1c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Cl)c1 ZINC000665281084 462383078 /nfs/dbraw/zinc/38/30/78/462383078.db2.gz UBRLINDFEBZSNS-BLLLJJGKSA-N 2 2 335.883 3.253 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)n1-c1ccccc1 ZINC000652048511 462418013 /nfs/dbraw/zinc/41/80/13/462418013.db2.gz OFQOCJCFQJAQRG-IBGZPJMESA-N 2 2 348.450 3.047 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000191476763 528866354 /nfs/dbraw/zinc/86/63/54/528866354.db2.gz VNLLVFNYCLFJPH-UHFFFAOYSA-N 2 2 339.443 3.408 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000191476763 528866358 /nfs/dbraw/zinc/86/63/58/528866358.db2.gz VNLLVFNYCLFJPH-UHFFFAOYSA-N 2 2 339.443 3.408 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000171921996 536358507 /nfs/dbraw/zinc/35/85/07/536358507.db2.gz UNTKOHUAJVDDKC-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000171921996 536358509 /nfs/dbraw/zinc/35/85/09/536358509.db2.gz UNTKOHUAJVDDKC-AWEZNQCLSA-N 2 2 327.925 3.003 10 0 EGAELP Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000355334793 547715649 /nfs/dbraw/zinc/71/56/49/547715649.db2.gz SWAIOVLFHXXCOA-UHFFFAOYSA-N 2 2 327.394 3.285 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374207620 547805230 /nfs/dbraw/zinc/80/52/30/547805230.db2.gz JOFCIKIBUPZQPK-AWEZNQCLSA-N 2 2 326.444 3.179 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374288998 547805776 /nfs/dbraw/zinc/80/57/76/547805776.db2.gz ULLXKKVLLKVCKU-HOTGVXAUSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374288998 547805778 /nfs/dbraw/zinc/80/57/78/547805778.db2.gz ULLXKKVLLKVCKU-HOTGVXAUSA-N 2 2 346.519 3.092 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351476 /nfs/dbraw/zinc/35/14/76/548351476.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 3 2 341.543 3.361 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351478 /nfs/dbraw/zinc/35/14/78/548351478.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351480 /nfs/dbraw/zinc/35/14/80/548351480.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351487 /nfs/dbraw/zinc/35/14/87/548351487.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 3 2 341.543 3.361 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673668421 548593553 /nfs/dbraw/zinc/59/35/53/548593553.db2.gz NCJCJLKRAHCFSZ-GOSISDBHSA-N 2 2 334.423 3.328 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673668421 548593557 /nfs/dbraw/zinc/59/35/57/548593557.db2.gz NCJCJLKRAHCFSZ-GOSISDBHSA-N 2 2 334.423 3.328 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839288 548637072 /nfs/dbraw/zinc/63/70/72/548637072.db2.gz XVBDZWNVOHWFIK-QGZVFWFLSA-N 2 2 338.386 3.077 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839288 548637077 /nfs/dbraw/zinc/63/70/77/548637077.db2.gz XVBDZWNVOHWFIK-QGZVFWFLSA-N 2 2 338.386 3.077 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000675141723 548853685 /nfs/dbraw/zinc/85/36/85/548853685.db2.gz LUYLTDUKVCSACR-MAUKXSAKSA-N 2 2 349.438 3.119 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000675141723 548853687 /nfs/dbraw/zinc/85/36/87/548853687.db2.gz LUYLTDUKVCSACR-MAUKXSAKSA-N 2 2 349.438 3.119 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744634 548972775 /nfs/dbraw/zinc/97/27/75/548972775.db2.gz QPVZYAAVLQDEHP-RTWAWAEBSA-N 2 2 335.495 3.377 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000675744634 548972778 /nfs/dbraw/zinc/97/27/78/548972778.db2.gz QPVZYAAVLQDEHP-RTWAWAEBSA-N 2 2 335.495 3.377 10 0 EGAELP C[C@@H](CC1CCOCC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917805 549004315 /nfs/dbraw/zinc/00/43/15/549004315.db2.gz FCVCQZHNFVCBLO-LPHOPBHVSA-N 2 2 327.472 3.499 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000675918363 549004363 /nfs/dbraw/zinc/00/43/63/549004363.db2.gz GZELSXLWIRNJLS-QZTJIDSGSA-N 2 2 335.455 3.105 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679728180 549769719 /nfs/dbraw/zinc/76/97/19/549769719.db2.gz KLUSETLKBPNNMQ-CABCVRRESA-N 2 2 341.459 3.109 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679728180 549769721 /nfs/dbraw/zinc/76/97/21/549769721.db2.gz KLUSETLKBPNNMQ-CABCVRRESA-N 2 2 341.459 3.109 10 0 EGAELP CCC(CC)C(=O)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680326488 549849051 /nfs/dbraw/zinc/84/90/51/549849051.db2.gz FUYGTTMYMBXPAS-UHFFFAOYSA-N 2 2 346.500 3.014 10 0 EGAELP C[NH+]1CCC(CNc2ncc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000680894745 549924856 /nfs/dbraw/zinc/92/48/56/549924856.db2.gz GRYSHITZWCXONV-UHFFFAOYSA-N 2 2 328.913 3.159 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379699 550321871 /nfs/dbraw/zinc/32/18/71/550321871.db2.gz STTHDHYUNOZFKJ-ROUUACIJSA-N 2 2 338.536 3.347 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379699 550321874 /nfs/dbraw/zinc/32/18/74/550321874.db2.gz STTHDHYUNOZFKJ-ROUUACIJSA-N 2 2 338.536 3.347 10 0 EGAELP FC(F)(F)Oc1ccccc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000731451308 575074689 /nfs/dbraw/zinc/07/46/89/575074689.db2.gz LKRDKNXXOICCTI-UHFFFAOYSA-N 2 2 348.328 3.456 10 0 EGAELP C[NH+]1CCC(CNC(=O)/C=C/C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000742011211 576741976 /nfs/dbraw/zinc/74/19/76/576741976.db2.gz LEDJKOJWHQISFW-ZHACJKMWSA-N 2 2 347.547 3.189 10 0 EGAELP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000743262964 576804703 /nfs/dbraw/zinc/80/47/03/576804703.db2.gz ANYCXDWVGPYBBL-HXUWFJFHSA-N 2 2 339.414 3.451 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)Cc2ccccc2C1 ZINC000872038105 1296689456 /nfs/dbraw/zinc/68/94/56/1296689456.db2.gz IMNHVGCZQQPJLY-RBUKOAKNSA-N 2 2 330.516 3.269 10 0 EGAELP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872072564 1296717582 /nfs/dbraw/zinc/71/75/82/1296717582.db2.gz HHQRDODSYRZBOY-SJORKVTESA-N 2 2 331.435 3.032 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872149866 1296770904 /nfs/dbraw/zinc/77/09/04/1296770904.db2.gz RMQSEZMHOILVMJ-ZYHUDNBSSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872149866 1296770918 /nfs/dbraw/zinc/77/09/18/1296770918.db2.gz RMQSEZMHOILVMJ-ZYHUDNBSSA-N 2 2 342.283 3.154 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3c2CCOC3)c[nH+]1 ZINC000882885505 1302146907 /nfs/dbraw/zinc/14/69/07/1302146907.db2.gz AGTSDKXTXZSGIA-UHFFFAOYSA-N 2 2 333.435 3.294 10 0 EGAELP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1c(C)cc[nH+]c1N ZINC000894076255 1306203379 /nfs/dbraw/zinc/20/33/79/1306203379.db2.gz LZBGLIBMFYZIAY-UHFFFAOYSA-N 2 2 332.414 3.068 10 0 EGAELP Cc1cc[nH+]c(N)c1CN(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000894765701 1309057691 /nfs/dbraw/zinc/05/76/91/1309057691.db2.gz LAATVYLAQDZYDV-UHFFFAOYSA-N 2 2 332.879 3.189 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671991 1309459789 /nfs/dbraw/zinc/45/97/89/1309459789.db2.gz SHDHYVCAMZPEGO-UHFFFAOYSA-N 2 2 340.471 3.146 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000895821732 1309536569 /nfs/dbraw/zinc/53/65/69/1309536569.db2.gz IKRIBSJHXOUKNI-UHFFFAOYSA-N 2 2 346.515 3.288 10 0 EGAELP CC[N@H+](CCc1ccns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753926 1328688182 /nfs/dbraw/zinc/68/81/82/1328688182.db2.gz HKCKLOQLRKITOH-UHFFFAOYSA-N 2 2 330.501 3.319 10 0 EGAELP CC[N@@H+](CCc1ccns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753926 1328688183 /nfs/dbraw/zinc/68/81/83/1328688183.db2.gz HKCKLOQLRKITOH-UHFFFAOYSA-N 2 2 330.501 3.319 10 0 EGAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159702 1328698745 /nfs/dbraw/zinc/69/87/45/1328698745.db2.gz CDXASKZBGNSVMW-MSOLQXFVSA-N 2 2 343.515 3.180 10 0 EGAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159702 1328698750 /nfs/dbraw/zinc/69/87/50/1328698750.db2.gz CDXASKZBGNSVMW-MSOLQXFVSA-N 2 2 343.515 3.180 10 0 EGAELP CC[C@](O)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000929981087 1328756832 /nfs/dbraw/zinc/75/68/32/1328756832.db2.gz GXROZKLVBVVPRI-KRWDZBQOSA-N 2 2 344.421 3.286 10 0 EGAELP CC[C@](O)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000929981087 1328756836 /nfs/dbraw/zinc/75/68/36/1328756836.db2.gz GXROZKLVBVVPRI-KRWDZBQOSA-N 2 2 344.421 3.286 10 0 EGAELP COc1cccc(C[NH+]2CC(Cn3c(C)c[nH+]c3-c3ccncc3)C2)c1 ZINC000824781057 1320285167 /nfs/dbraw/zinc/28/51/67/1320285167.db2.gz SNZCUHRVIAYSHV-UHFFFAOYSA-N 2 2 348.450 3.394 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)[C@@H]1c1cccs1 ZINC000921775992 1322396828 /nfs/dbraw/zinc/39/68/28/1322396828.db2.gz JVFGCPFLBBXKES-DOTOQJQBSA-N 2 2 336.480 3.087 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)[C@@H]1c1cccs1 ZINC000921775992 1322396833 /nfs/dbraw/zinc/39/68/33/1322396833.db2.gz JVFGCPFLBBXKES-DOTOQJQBSA-N 2 2 336.480 3.087 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852138 1323187719 /nfs/dbraw/zinc/18/77/19/1323187719.db2.gz IAYVNEMJHHFORX-LPHOPBHVSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852138 1323187726 /nfs/dbraw/zinc/18/77/26/1323187726.db2.gz IAYVNEMJHHFORX-LPHOPBHVSA-N 2 2 325.456 3.493 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc2ccccc21 ZINC000924964124 1323230201 /nfs/dbraw/zinc/23/02/01/1323230201.db2.gz IZDMBJXLEJDJDW-SNRMKQJTSA-N 2 2 340.467 3.362 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc2ccccc21 ZINC000924964124 1323230211 /nfs/dbraw/zinc/23/02/11/1323230211.db2.gz IZDMBJXLEJDJDW-SNRMKQJTSA-N 2 2 340.467 3.362 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000925051141 1323257335 /nfs/dbraw/zinc/25/73/35/1323257335.db2.gz WHVZPBTUXASQSB-WOJBJXKFSA-N 2 2 327.472 3.326 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000925051141 1323257341 /nfs/dbraw/zinc/25/73/41/1323257341.db2.gz WHVZPBTUXASQSB-WOJBJXKFSA-N 2 2 327.472 3.326 10 0 EGAELP c1ccc([C@H]2CC[C@H](C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284296 1329085296 /nfs/dbraw/zinc/08/52/96/1329085296.db2.gz RHMQWXUNSXCNON-NHCUHLMSSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@H]2CC[C@H](C[NH+]3CCC([N@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284296 1329085298 /nfs/dbraw/zinc/08/52/98/1329085298.db2.gz RHMQWXUNSXCNON-NHCUHLMSSA-N 2 2 344.499 3.093 10 0 EGAELP Clc1ccccc1CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286119 1329086376 /nfs/dbraw/zinc/08/63/76/1329086376.db2.gz BUKYCKNZWAWTTC-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP Clc1ccccc1CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286119 1329086380 /nfs/dbraw/zinc/08/63/80/1329086380.db2.gz BUKYCKNZWAWTTC-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP Cc1[nH]c(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)[nH+]1 ZINC000931268582 1329082642 /nfs/dbraw/zinc/08/26/42/1329082642.db2.gz CEYVMAMPCPWUOU-KRWDZBQOSA-N 2 2 326.444 3.342 10 0 EGAELP Cc1[nH]c(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)[nH+]1 ZINC000931268582 1329082645 /nfs/dbraw/zinc/08/26/45/1329082645.db2.gz CEYVMAMPCPWUOU-KRWDZBQOSA-N 2 2 326.444 3.342 10 0 EGAELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@@]2(C)C1 ZINC000931306731 1329090214 /nfs/dbraw/zinc/09/02/14/1329090214.db2.gz LUSVGQSNBRIWMI-BRWVUGGUSA-N 2 2 342.405 3.012 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000931707094 1329167864 /nfs/dbraw/zinc/16/78/64/1329167864.db2.gz MYFPMIPYIMJIDG-OAGGEKHMSA-N 2 2 339.361 3.324 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925148896 1325065927 /nfs/dbraw/zinc/06/59/27/1325065927.db2.gz LHBYJYQGUKQJDJ-LEWJYISDSA-N 2 2 345.531 3.372 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1nc(-c2ccccc2)no1 ZINC000925628013 1325238215 /nfs/dbraw/zinc/23/82/15/1325238215.db2.gz DHKWZPDXPFCAAY-GOEBONIOSA-N 2 2 326.444 3.104 10 0 EGAELP Cn1c(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nc2cccc(Cl)c21 ZINC000925642259 1325244665 /nfs/dbraw/zinc/24/46/65/1325244665.db2.gz RZNHZBNREANEPV-NVGVWMPQSA-N 2 2 332.879 3.093 10 0 EGAELP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1C[NH2+]C1 ZINC000925772793 1325294033 /nfs/dbraw/zinc/29/40/33/1325294033.db2.gz JYAXZWOARSSXQT-QMMMGPOBSA-N 2 2 337.183 3.165 10 0 EGAELP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000925841334 1325323776 /nfs/dbraw/zinc/32/37/76/1325323776.db2.gz OHSWNBPKWUCMPD-ZMSDIMECSA-N 2 2 326.843 3.288 10 0 EGAELP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@]1(C)CCCO1 ZINC000926956959 1327796274 /nfs/dbraw/zinc/79/62/74/1327796274.db2.gz DUBDZFWYFXPBFM-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@]1(C)CCCO1 ZINC000926956959 1327796280 /nfs/dbraw/zinc/79/62/80/1327796280.db2.gz DUBDZFWYFXPBFM-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(SC)c(OC)c1)C[NH+](C)C ZINC000926959940 1327797400 /nfs/dbraw/zinc/79/74/00/1327797400.db2.gz CVZOHWCLQBSJNU-HIFRSBDPSA-N 2 2 326.506 3.034 10 0 EGAELP c1cn(CCC[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)c[nH+]1 ZINC000932625763 1329828589 /nfs/dbraw/zinc/82/85/89/1329828589.db2.gz MJRJULPIMDQARA-UHFFFAOYSA-N 2 2 330.501 3.173 10 0 EGAELP C[C@@H](CCc1cccnc1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000866323211 1330096373 /nfs/dbraw/zinc/09/63/73/1330096373.db2.gz FNSZOQXYGDJAEV-QFBILLFUSA-N 2 2 339.487 3.050 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866703321 1330142420 /nfs/dbraw/zinc/14/24/20/1330142420.db2.gz LCVLMJOLPZIMDY-SFHVURJKSA-N 2 2 335.517 3.044 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866703321 1330142422 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ZINC001732351761 1428544771 /nfs/dbraw/zinc/54/47/71/1428544771.db2.gz FXYSLRXPEWZGBI-SKHCZCESSA-N 2 2 348.450 3.003 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001732431805 1428578227 /nfs/dbraw/zinc/57/82/27/1428578227.db2.gz XTXGUGXMFLKRKU-YJBOKZPZSA-N 2 2 348.450 3.072 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732526465 1428645955 /nfs/dbraw/zinc/64/59/55/1428645955.db2.gz DEYVKZBOLCTMEA-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001699163203 1412545841 /nfs/dbraw/zinc/54/58/41/1412545841.db2.gz KAKFDMQNGJYEDK-IRXDYDNUSA-N 2 2 342.487 3.252 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001699677868 1413072912 /nfs/dbraw/zinc/07/29/12/1413072912.db2.gz ZISRKIGNPASZHT-IBGZPJMESA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001699677868 1413072914 /nfs/dbraw/zinc/07/29/14/1413072914.db2.gz ZISRKIGNPASZHT-IBGZPJMESA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001732542775 1428699709 /nfs/dbraw/zinc/69/97/09/1428699709.db2.gz WCCFLDRSENBLLW-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001699796966 1413206189 /nfs/dbraw/zinc/20/61/89/1413206189.db2.gz XKGVEUUKDIDQOP-ZACQAIPSSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001699796966 1413206196 /nfs/dbraw/zinc/20/61/96/1413206196.db2.gz XKGVEUUKDIDQOP-ZACQAIPSSA-N 2 2 346.519 3.214 10 0 EGAELP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699819411 1413239512 /nfs/dbraw/zinc/23/95/12/1413239512.db2.gz IROMRUKJFZLZCK-IEBWSBKVSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699819411 1413239513 /nfs/dbraw/zinc/23/95/13/1413239513.db2.gz IROMRUKJFZLZCK-IEBWSBKVSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001699821131 1413242009 /nfs/dbraw/zinc/24/20/09/1413242009.db2.gz NFXJYYXNHHENPF-PXNSSMCTSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001699821131 1413242013 /nfs/dbraw/zinc/24/20/13/1413242013.db2.gz NFXJYYXNHHENPF-PXNSSMCTSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001699855263 1413286472 /nfs/dbraw/zinc/28/64/72/1413286472.db2.gz KCCOJIXBBOFROU-UZLBHIALSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001699855263 1413286474 /nfs/dbraw/zinc/28/64/74/1413286474.db2.gz KCCOJIXBBOFROU-UZLBHIALSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001699855263 1413286476 /nfs/dbraw/zinc/28/64/76/1413286476.db2.gz KCCOJIXBBOFROU-UZLBHIALSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001699855263 1413286478 /nfs/dbraw/zinc/28/64/78/1413286478.db2.gz KCCOJIXBBOFROU-UZLBHIALSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(C)C)CC2)c[nH+]1 ZINC001699978872 1413423965 /nfs/dbraw/zinc/42/39/65/1413423965.db2.gz GCZHODIEFRXHLK-IYARVYRRSA-N 2 2 348.535 3.095 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001700193707 1413627903 /nfs/dbraw/zinc/62/79/03/1413627903.db2.gz JYKUEGNNBOQHOT-QGZVFWFLSA-N 2 2 342.487 3.111 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001700193707 1413627906 /nfs/dbraw/zinc/62/79/06/1413627906.db2.gz JYKUEGNNBOQHOT-QGZVFWFLSA-N 2 2 342.487 3.111 10 0 EGAELP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC(C)(C)C ZINC001732561932 1428752322 /nfs/dbraw/zinc/75/23/22/1428752322.db2.gz MBNOASPRIVSGPE-HNNXBMFYSA-N 2 2 330.476 3.115 10 0 EGAELP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001700430552 1413991140 /nfs/dbraw/zinc/99/11/40/1413991140.db2.gz MGVUUGFXZIHMND-IRXDYDNUSA-N 2 2 348.535 3.363 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476801 1414104956 /nfs/dbraw/zinc/10/49/56/1414104956.db2.gz MQBOLXJDBOCNCJ-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476801 1414104961 /nfs/dbraw/zinc/10/49/61/1414104961.db2.gz MQBOLXJDBOCNCJ-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700531275 1414198187 /nfs/dbraw/zinc/19/81/87/1414198187.db2.gz KYLUIQQDLNCRCH-KRWDZBQOSA-N 2 2 346.519 3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC(C)(C)C1 ZINC001700531275 1414198190 /nfs/dbraw/zinc/19/81/90/1414198190.db2.gz KYLUIQQDLNCRCH-KRWDZBQOSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001700973924 1414603725 /nfs/dbraw/zinc/60/37/25/1414603725.db2.gz UPGJFXABCYTYJT-UHFFFAOYSA-N 2 2 348.535 3.482 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001700973924 1414603728 /nfs/dbraw/zinc/60/37/28/1414603728.db2.gz UPGJFXABCYTYJT-UHFFFAOYSA-N 2 2 348.535 3.482 10 0 EGAELP CCC[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001700991307 1414636557 /nfs/dbraw/zinc/63/65/57/1414636557.db2.gz FMLLNDFHYFRMMD-QGZVFWFLSA-N 2 2 328.460 3.016 10 0 EGAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001701008554 1414666759 /nfs/dbraw/zinc/66/67/59/1414666759.db2.gz QVWJPKXCXJIHEI-MRXNPFEDSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732628858 1428891601 /nfs/dbraw/zinc/89/16/01/1428891601.db2.gz KPTZKIXSCCFEOS-ZWKOTPCHSA-N 2 2 329.488 3.461 10 0 EGAELP CC(C)(C)CCC[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732870346 1429020133 /nfs/dbraw/zinc/02/01/33/1429020133.db2.gz XUMSYTLVBPELKY-SNAWJCMRSA-N 2 2 328.460 3.265 10 0 EGAELP CC[C@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001732916193 1429045796 /nfs/dbraw/zinc/04/57/96/1429045796.db2.gz LQDBUZHFAXNXJT-CWDCEQMOSA-N 2 2 346.862 3.019 10 0 EGAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001707162204 1417225849 /nfs/dbraw/zinc/22/58/49/1417225849.db2.gz DRFGIYAYSXSJTJ-APWZRJJASA-N 2 2 344.503 3.059 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001733040410 1429168356 /nfs/dbraw/zinc/16/83/56/1429168356.db2.gz BODSTPDLECZZRN-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001733040410 1429168357 /nfs/dbraw/zinc/16/83/57/1429168357.db2.gz BODSTPDLECZZRN-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042413 1429172131 /nfs/dbraw/zinc/17/21/31/1429172131.db2.gz IRYPLURVPMODJF-YJBOKZPZSA-N 2 2 348.450 3.072 10 0 EGAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042413 1429172134 /nfs/dbraw/zinc/17/21/34/1429172134.db2.gz IRYPLURVPMODJF-YJBOKZPZSA-N 2 2 348.450 3.072 10 0 EGAELP Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001712974950 1417527778 /nfs/dbraw/zinc/52/77/78/1417527778.db2.gz LLWIXDQDCIRBOK-QZTJIDSGSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001712974950 1417527782 /nfs/dbraw/zinc/52/77/82/1417527782.db2.gz LLWIXDQDCIRBOK-QZTJIDSGSA-N 2 2 342.487 3.342 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001712998625 1417550746 /nfs/dbraw/zinc/55/07/46/1417550746.db2.gz GHKXZLPHRYDAHA-MSOLQXFVSA-N 2 2 348.535 3.459 10 0 EGAELP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001713102077 1417656117 /nfs/dbraw/zinc/65/61/17/1417656117.db2.gz LEYYFFIQINERCY-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713253715 1417849725 /nfs/dbraw/zinc/84/97/25/1417849725.db2.gz UJMODESVKBWWJJ-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713253715 1417849727 /nfs/dbraw/zinc/84/97/27/1417849727.db2.gz UJMODESVKBWWJJ-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCCCF)C1)c1cccc2[nH+]ccn21 ZINC001713377265 1417987178 /nfs/dbraw/zinc/98/71/78/1417987178.db2.gz OWNHXGHNOCFBBW-HZPDHXFCSA-N 2 2 346.450 3.105 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733074442 1429229625 /nfs/dbraw/zinc/22/96/25/1429229625.db2.gz RRVHMAHQTHDDEI-MSOLQXFVSA-N 2 2 346.519 3.157 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005343 1418785514 /nfs/dbraw/zinc/78/55/14/1418785514.db2.gz CRYFCODRAAQVFI-APHBUQMISA-N 2 2 326.444 3.066 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005343 1418785515 /nfs/dbraw/zinc/78/55/15/1418785515.db2.gz CRYFCODRAAQVFI-APHBUQMISA-N 2 2 326.444 3.066 10 0 EGAELP C[C@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714215004 1419012947 /nfs/dbraw/zinc/01/29/47/1419012947.db2.gz VNQYDOSKZTZFCQ-LSDHHAIUSA-N 2 2 346.450 3.143 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001714245946 1419032747 /nfs/dbraw/zinc/03/27/47/1419032747.db2.gz UZINEXVTFBXUNC-IEBWSBKVSA-N 2 2 342.487 3.073 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001733200509 1429304244 /nfs/dbraw/zinc/30/42/44/1429304244.db2.gz QDWOJUONBAIYFY-SJORKVTESA-N 2 2 334.508 3.058 10 0 EGAELP CCC[NH2+]CCC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714268704 1419049961 /nfs/dbraw/zinc/04/99/61/1419049961.db2.gz VDVLYYYRKYYBJV-GOSISDBHSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001714277554 1419057907 /nfs/dbraw/zinc/05/79/07/1419057907.db2.gz BMJIBZKVIDMBCV-IAGOWNOFSA-N 2 2 342.487 3.252 10 0 EGAELP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714279443 1419060189 /nfs/dbraw/zinc/06/01/89/1419060189.db2.gz VXKYHSPFFSWVAI-DLBZAZTESA-N 2 2 342.487 3.252 10 0 EGAELP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001714440104 1419171522 /nfs/dbraw/zinc/17/15/22/1419171522.db2.gz GOXNZZFDGKJAJW-GOSISDBHSA-N 2 2 347.503 3.136 10 0 EGAELP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001714440104 1419171526 /nfs/dbraw/zinc/17/15/26/1419171526.db2.gz GOXNZZFDGKJAJW-GOSISDBHSA-N 2 2 347.503 3.136 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448940 1419181652 /nfs/dbraw/zinc/18/16/52/1419181652.db2.gz NQWTTYQWWOKWSP-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448940 1419181656 /nfs/dbraw/zinc/18/16/56/1419181656.db2.gz NQWTTYQWWOKWSP-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448940 1419181657 /nfs/dbraw/zinc/18/16/57/1419181657.db2.gz NQWTTYQWWOKWSP-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448940 1419181660 /nfs/dbraw/zinc/18/16/60/1419181660.db2.gz NQWTTYQWWOKWSP-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]CC3CC(C)(C)C3)ccn12 ZINC001714469246 1419196169 /nfs/dbraw/zinc/19/61/69/1419196169.db2.gz JNXBAEDLGVZPAV-CQSZACIVSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714519811 1419246254 /nfs/dbraw/zinc/24/62/54/1419246254.db2.gz VRQOGGMWAKUXBO-KRWDZBQOSA-N 2 2 342.487 3.355 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001714519811 1419246256 /nfs/dbraw/zinc/24/62/56/1419246256.db2.gz VRQOGGMWAKUXBO-KRWDZBQOSA-N 2 2 342.487 3.355 10 0 EGAELP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001714524473 1419251014 /nfs/dbraw/zinc/25/10/14/1419251014.db2.gz QDKPFYCPUIROQJ-SHCNBLLESA-N 2 2 344.503 3.115 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001714669209 1419458305 /nfs/dbraw/zinc/45/83/05/1419458305.db2.gz MZOLQIAUELWSTA-MRXNPFEDSA-N 2 2 336.524 3.189 10 0 EGAELP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872010 1419602944 /nfs/dbraw/zinc/60/29/44/1419602944.db2.gz BWXLDUYFMRKATJ-DLBZAZTESA-N 2 2 335.467 3.197 10 0 EGAELP CC[C@@H](F)C[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872010 1419602945 /nfs/dbraw/zinc/60/29/45/1419602945.db2.gz BWXLDUYFMRKATJ-DLBZAZTESA-N 2 2 335.467 3.197 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017556 1419746999 /nfs/dbraw/zinc/74/69/99/1419746999.db2.gz GRHXZTFUHIDYBD-OALUTQOASA-N 2 2 348.535 3.439 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715017556 1419747004 /nfs/dbraw/zinc/74/70/04/1419747004.db2.gz GRHXZTFUHIDYBD-OALUTQOASA-N 2 2 348.535 3.439 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715025940 1419758522 /nfs/dbraw/zinc/75/85/22/1419758522.db2.gz UDZPNSCPMREVEV-ROUUACIJSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715025940 1419758525 /nfs/dbraw/zinc/75/85/25/1419758525.db2.gz UDZPNSCPMREVEV-ROUUACIJSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001715390126 1420086758 /nfs/dbraw/zinc/08/67/58/1420086758.db2.gz DWMJCIUKFLDVGM-BRWVUGGUSA-N 2 2 348.535 3.080 10 0 EGAELP C[C@@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715438048 1420123593 /nfs/dbraw/zinc/12/35/93/1420123593.db2.gz NZXCLVLZKXZXKN-GDBMZVCRSA-N 2 2 346.450 3.285 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H](C)CC(C)C ZINC001715451393 1420133891 /nfs/dbraw/zinc/13/38/91/1420133891.db2.gz UMZLTRPVKTWENC-SJLPKXTDSA-N 2 2 348.535 3.304 10 0 EGAELP C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715662805 1420284471 /nfs/dbraw/zinc/28/44/71/1420284471.db2.gz SHGXNBURZQIAKJ-CQSZACIVSA-N 2 2 340.471 3.241 10 0 EGAELP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715714156 1420307515 /nfs/dbraw/zinc/30/75/15/1420307515.db2.gz PFQHLEZGZCHYJC-YOEHRIQHSA-N 2 2 348.878 3.172 10 0 EGAELP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715739207 1420319831 /nfs/dbraw/zinc/31/98/31/1420319831.db2.gz AKRSMDFMFPSSCZ-UHFFFAOYSA-N 2 2 336.524 3.191 10 0 EGAELP CCN(CC[NH2+]C[C@@H](C)CC(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001715741492 1420320469 /nfs/dbraw/zinc/32/04/69/1420320469.db2.gz HKUNOODFZLPEOG-INIZCTEOSA-N 2 2 330.476 3.068 10 0 EGAELP C[C@H](C[N@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716497423 1420722354 /nfs/dbraw/zinc/72/23/54/1420722354.db2.gz LPVBWEKVDQEBDD-HUUCEWRRSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716497423 1420722355 /nfs/dbraw/zinc/72/23/55/1420722355.db2.gz LPVBWEKVDQEBDD-HUUCEWRRSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001716571142 1420764146 /nfs/dbraw/zinc/76/41/46/1420764146.db2.gz UVWNXTVQGWSVFR-DLBZAZTESA-N 2 2 328.460 3.034 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001716665314 1420819623 /nfs/dbraw/zinc/81/96/23/1420819623.db2.gz KEIIHSDGKLKFNB-WMZOPIPTSA-N 2 2 349.544 3.012 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001716665314 1420819627 /nfs/dbraw/zinc/81/96/27/1420819627.db2.gz KEIIHSDGKLKFNB-WMZOPIPTSA-N 2 2 349.544 3.012 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001716731282 1420889281 /nfs/dbraw/zinc/88/92/81/1420889281.db2.gz LHJBDZOUAROTBE-HXUWFJFHSA-N 2 2 340.471 3.291 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001716731282 1420889283 /nfs/dbraw/zinc/88/92/83/1420889283.db2.gz LHJBDZOUAROTBE-HXUWFJFHSA-N 2 2 340.471 3.291 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001716868637 1420996597 /nfs/dbraw/zinc/99/65/97/1420996597.db2.gz XJTMOQBFKCRDJM-AUUYWEPGSA-N 2 2 335.467 3.197 10 0 EGAELP CC(C)C[C@H](C(=O)NCC1(C)CC[NH+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001716885437 1421009159 /nfs/dbraw/zinc/00/91/59/1421009159.db2.gz QFRVFNXUQPKKDE-GOSISDBHSA-N 2 2 348.535 3.345 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896252 1421023886 /nfs/dbraw/zinc/02/38/86/1421023886.db2.gz MCUZKZVELBTBMW-UZLBHIALSA-N 2 2 342.487 3.212 10 0 EGAELP CC[C@@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896252 1421023890 /nfs/dbraw/zinc/02/38/90/1421023890.db2.gz MCUZKZVELBTBMW-UZLBHIALSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196953 1421163258 /nfs/dbraw/zinc/16/32/58/1421163258.db2.gz PAEUKWKVVASMOO-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196953 1421163260 /nfs/dbraw/zinc/16/32/60/1421163260.db2.gz PAEUKWKVVASMOO-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717198948 1421166302 /nfs/dbraw/zinc/16/63/02/1421166302.db2.gz BYBZFKDGMSACRU-KKSLTYSGSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717198948 1421166303 /nfs/dbraw/zinc/16/63/03/1421166303.db2.gz BYBZFKDGMSACRU-KKSLTYSGSA-N 2 2 332.492 3.161 10 0 EGAELP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717240995 1421209262 /nfs/dbraw/zinc/20/92/62/1421209262.db2.gz SLDYEXGGEXSXGQ-LXPRWKDFSA-N 2 2 346.519 3.241 10 0 EGAELP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001717446475 1421376174 /nfs/dbraw/zinc/37/61/74/1421376174.db2.gz DAPFRHODRLRXIV-UHFFFAOYSA-N 2 2 344.503 3.133 10 0 EGAELP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001717490181 1421428315 /nfs/dbraw/zinc/42/83/15/1421428315.db2.gz HOFVEZWAODFESM-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001717490181 1421428316 /nfs/dbraw/zinc/42/83/16/1421428316.db2.gz HOFVEZWAODFESM-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001717525784 1421461558 /nfs/dbraw/zinc/46/15/58/1421461558.db2.gz CPEACTPNKNQIGY-KRWDZBQOSA-N 2 2 334.508 3.289 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]Cc2cccnc2)c(C)[nH+]1 ZINC001717678203 1421562287 /nfs/dbraw/zinc/56/22/87/1421562287.db2.gz MFAQXVVTKXIGSI-HNNXBMFYSA-N 2 2 340.471 3.090 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001717816034 1421635363 /nfs/dbraw/zinc/63/53/63/1421635363.db2.gz BFXJZGXCRPNLKJ-NVXWUHKLSA-N 2 2 340.471 3.107 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717839267 1421653756 /nfs/dbraw/zinc/65/37/56/1421653756.db2.gz FKMHGNGVQMONQV-ILZDJORESA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717839267 1421653757 /nfs/dbraw/zinc/65/37/57/1421653757.db2.gz FKMHGNGVQMONQV-ILZDJORESA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717839267 1421653758 /nfs/dbraw/zinc/65/37/58/1421653758.db2.gz FKMHGNGVQMONQV-ILZDJORESA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717839267 1421653760 /nfs/dbraw/zinc/65/37/60/1421653760.db2.gz FKMHGNGVQMONQV-ILZDJORESA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001733344392 1429526878 /nfs/dbraw/zinc/52/68/78/1429526878.db2.gz UYICRWMZLCGONN-INIZCTEOSA-N 2 2 328.460 3.109 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001722955171 1424276978 /nfs/dbraw/zinc/27/69/78/1424276978.db2.gz FTJSGRACMFKZIT-MOPGFXCFSA-N 2 2 344.503 3.038 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001723855409 1424586063 /nfs/dbraw/zinc/58/60/63/1424586063.db2.gz GGFLSRYEUIWYIQ-ZBFHGGJFSA-N 2 2 326.444 3.112 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001724249491 1424755089 /nfs/dbraw/zinc/75/50/89/1424755089.db2.gz JECULNWJVCVACB-APWZRJJASA-N 2 2 334.508 3.099 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001724557566 1424912013 /nfs/dbraw/zinc/91/20/13/1424912013.db2.gz DFMLQSQYTCWFID-QAPCUYQASA-N 2 2 346.519 3.058 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001724728212 1425079807 /nfs/dbraw/zinc/07/98/07/1425079807.db2.gz KSRTUCUWCDTPCC-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001724728212 1425079814 /nfs/dbraw/zinc/07/98/14/1425079814.db2.gz KSRTUCUWCDTPCC-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP CCC(CC)C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001724960749 1425349701 /nfs/dbraw/zinc/34/97/01/1425349701.db2.gz KCZXDDKXEWFISW-UHFFFAOYSA-N 2 2 334.508 3.094 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001725055603 1425491967 /nfs/dbraw/zinc/49/19/67/1425491967.db2.gz MYQJBWPJFZNVOT-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001725055603 1425491968 /nfs/dbraw/zinc/49/19/68/1425491968.db2.gz MYQJBWPJFZNVOT-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001725101638 1425547992 /nfs/dbraw/zinc/54/79/92/1425547992.db2.gz HTQFHXOUDCKAEN-IAGOWNOFSA-N 2 2 342.487 3.080 10 0 EGAELP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001725184956 1425715929 /nfs/dbraw/zinc/71/59/29/1425715929.db2.gz NWZUPKWNRLUWKO-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001725184956 1425715933 /nfs/dbraw/zinc/71/59/33/1425715933.db2.gz NWZUPKWNRLUWKO-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001725197084 1425751523 /nfs/dbraw/zinc/75/15/23/1425751523.db2.gz SANQUEFVWQDANF-WBVHZDCISA-N 2 2 342.487 3.075 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001725197084 1425751526 /nfs/dbraw/zinc/75/15/26/1425751526.db2.gz SANQUEFVWQDANF-WBVHZDCISA-N 2 2 342.487 3.075 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725238866 1425834646 /nfs/dbraw/zinc/83/46/46/1425834646.db2.gz DOVPGITYQWLALH-RCCFBDPRSA-N 2 2 346.519 3.075 10 0 EGAELP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725238866 1425834653 /nfs/dbraw/zinc/83/46/53/1425834653.db2.gz DOVPGITYQWLALH-RCCFBDPRSA-N 2 2 346.519 3.075 10 0 EGAELP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC001725346678 1425998664 /nfs/dbraw/zinc/99/86/64/1425998664.db2.gz HVZQVLYYPCDBRA-YSIASYRMSA-N 2 2 346.519 3.195 10 0 EGAELP 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C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502905 1427485166 /nfs/dbraw/zinc/48/51/66/1427485166.db2.gz KZUYIUZHIBBWRT-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502905 1427485168 /nfs/dbraw/zinc/48/51/68/1427485168.db2.gz KZUYIUZHIBBWRT-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC1CCC(C)(C)CC1 ZINC001731624050 1427674317 /nfs/dbraw/zinc/67/43/17/1427674317.db2.gz RNLANEUHVOOVEU-HOTGVXAUSA-N 2 2 334.508 3.145 10 0 EGAELP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709798 1427766214 /nfs/dbraw/zinc/76/62/14/1427766214.db2.gz FIJQYUMVWXLEEM-LAQIPUCWSA-N 2 2 340.471 3.227 10 0 EGAELP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001731709798 1427766218 /nfs/dbraw/zinc/76/62/18/1427766218.db2.gz FIJQYUMVWXLEEM-LAQIPUCWSA-N 2 2 340.471 3.227 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716726 1427781189 /nfs/dbraw/zinc/78/11/89/1427781189.db2.gz ZGRHVBLOWASKIQ-MJGOQNOKSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716726 1427781195 /nfs/dbraw/zinc/78/11/95/1427781195.db2.gz ZGRHVBLOWASKIQ-MJGOQNOKSA-N 2 2 346.519 3.337 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941029 1437757145 /nfs/dbraw/zinc/75/71/45/1437757145.db2.gz NGTWTTRJAMTXSZ-MSOLQXFVSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941029 1437757146 /nfs/dbraw/zinc/75/71/46/1437757146.db2.gz NGTWTTRJAMTXSZ-MSOLQXFVSA-N 2 2 346.519 3.093 10 0 EGAELP CC1CCC(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001734107686 1437894597 /nfs/dbraw/zinc/89/45/97/1437894597.db2.gz YNBAJMDKUHPTBA-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001734107686 1437894599 /nfs/dbraw/zinc/89/45/99/1437894599.db2.gz YNBAJMDKUHPTBA-ACBHZAAOSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001734259975 1437975344 /nfs/dbraw/zinc/97/53/44/1437975344.db2.gz JRXDNOHEZFSIKR-HNNXBMFYSA-N 2 2 334.508 3.106 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001734454480 1438112022 /nfs/dbraw/zinc/11/20/22/1438112022.db2.gz BMQHLEJEAAJRHX-SJORKVTESA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001734454480 1438112023 /nfs/dbraw/zinc/11/20/23/1438112023.db2.gz BMQHLEJEAAJRHX-SJORKVTESA-N 2 2 334.508 3.086 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001734496780 1438132846 /nfs/dbraw/zinc/13/28/46/1438132846.db2.gz SQTVYOXUNBZWKH-DUMMIQTOSA-N 2 2 340.471 3.359 10 0 EGAELP CC1CCC(C[NH2+]C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001734567049 1438162343 /nfs/dbraw/zinc/16/23/43/1438162343.db2.gz JUBRXYKYJYHNFR-DAWZGUTISA-N 2 2 348.535 3.220 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571618 1438165477 /nfs/dbraw/zinc/16/54/77/1438165477.db2.gz VSSQMOQYWGRYKC-CRAIPNDOSA-N 2 2 346.519 3.209 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001734571618 1438165479 /nfs/dbraw/zinc/16/54/79/1438165479.db2.gz VSSQMOQYWGRYKC-CRAIPNDOSA-N 2 2 346.519 3.209 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001734614855 1438187449 /nfs/dbraw/zinc/18/74/49/1438187449.db2.gz ZSHYZFGDXBKDFN-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001734614855 1438187450 /nfs/dbraw/zinc/18/74/50/1438187450.db2.gz ZSHYZFGDXBKDFN-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368099889 168310378 /nfs/dbraw/zinc/31/03/78/168310378.db2.gz GLQDEMSBZAOAFH-MNOVXSKESA-N 2 2 335.835 3.288 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368099889 168310379 /nfs/dbraw/zinc/31/03/79/168310379.db2.gz GLQDEMSBZAOAFH-MNOVXSKESA-N 2 2 335.835 3.288 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368103028 168311328 /nfs/dbraw/zinc/31/13/28/168311328.db2.gz ROGOSNUXIRSRTB-GXTWGEPZSA-N 2 2 343.427 3.012 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368103028 168311331 /nfs/dbraw/zinc/31/13/31/168311331.db2.gz ROGOSNUXIRSRTB-GXTWGEPZSA-N 2 2 343.427 3.012 10 0 EGAELP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361382143 290616068 /nfs/dbraw/zinc/61/60/68/290616068.db2.gz SSIIGPWRQKFNQK-DLBZAZTESA-N 2 2 342.487 3.019 10 0 EGAELP C[N@H+](CCCCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000186975558 529885604 /nfs/dbraw/zinc/88/56/04/529885604.db2.gz SYFXMNYDIXQCAW-UHFFFAOYSA-N 2 2 340.515 3.302 10 0 EGAELP C[N@@H+](CCCCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000186975558 529885605 /nfs/dbraw/zinc/88/56/05/529885605.db2.gz SYFXMNYDIXQCAW-UHFFFAOYSA-N 2 2 340.515 3.302 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000540143900 314365735 /nfs/dbraw/zinc/36/57/35/314365735.db2.gz JGOMMPXWTLYTBE-UEKVPHQBSA-N 2 2 329.257 3.059 10 0 EGAELP CCc1[nH+]c(-c2ccc(OC)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685171 202370659 /nfs/dbraw/zinc/37/06/59/202370659.db2.gz FZHGTKSHFJEDQY-OAHLLOKOSA-N 2 2 326.444 3.187 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000269058899 201230450 /nfs/dbraw/zinc/23/04/50/201230450.db2.gz ZYONQZKGZNYHHJ-FXAWDEMLSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000269058899 201230454 /nfs/dbraw/zinc/23/04/54/201230454.db2.gz ZYONQZKGZNYHHJ-FXAWDEMLSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282451596 201328859 /nfs/dbraw/zinc/32/88/59/201328859.db2.gz IVIZAUYFJDJGNA-SFHVURJKSA-N 2 2 341.503 3.249 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282451596 201328863 /nfs/dbraw/zinc/32/88/63/201328863.db2.gz IVIZAUYFJDJGNA-SFHVURJKSA-N 2 2 341.503 3.249 10 0 EGAELP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc(Cl)c1OC ZINC000371337067 242034934 /nfs/dbraw/zinc/03/49/34/242034934.db2.gz SGALRQNHOOLKJR-UHFFFAOYSA-N 2 2 335.835 3.460 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718683 203243678 /nfs/dbraw/zinc/24/36/78/203243678.db2.gz USQNDRCHLCYTLE-IPMKNSEASA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718683 203243680 /nfs/dbraw/zinc/24/36/80/203243680.db2.gz USQNDRCHLCYTLE-IPMKNSEASA-N 2 2 343.515 3.060 10 0 EGAELP CSc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000105862972 204173749 /nfs/dbraw/zinc/17/37/49/204173749.db2.gz LICWEBDQRSNCME-UHFFFAOYSA-N 2 2 344.528 3.201 10 0 EGAELP CSc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000105862972 204173752 /nfs/dbraw/zinc/17/37/52/204173752.db2.gz LICWEBDQRSNCME-UHFFFAOYSA-N 2 2 344.528 3.201 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC000105896443 204177699 /nfs/dbraw/zinc/17/76/99/204177699.db2.gz LUACSIXBFZYSPN-MRXNPFEDSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC000105896443 204177702 /nfs/dbraw/zinc/17/77/02/204177702.db2.gz LUACSIXBFZYSPN-MRXNPFEDSA-N 2 2 326.444 3.030 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000174766043 207056024 /nfs/dbraw/zinc/05/60/24/207056024.db2.gz CONLZWPVHLOKHK-KRWDZBQOSA-N 2 2 338.455 3.153 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000174766043 207056028 /nfs/dbraw/zinc/05/60/28/207056028.db2.gz CONLZWPVHLOKHK-KRWDZBQOSA-N 2 2 338.455 3.153 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000174785689 207057076 /nfs/dbraw/zinc/05/70/76/207057076.db2.gz KJPBRTRTKWFXNS-SJORKVTESA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000174785689 207057079 /nfs/dbraw/zinc/05/70/79/207057079.db2.gz KJPBRTRTKWFXNS-SJORKVTESA-N 2 2 333.863 3.469 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000177059960 207289291 /nfs/dbraw/zinc/28/92/91/207289291.db2.gz DBFHRLFFMSUURH-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000177059960 207289296 /nfs/dbraw/zinc/28/92/96/207289296.db2.gz DBFHRLFFMSUURH-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000177059960 207289297 /nfs/dbraw/zinc/28/92/97/207289297.db2.gz DBFHRLFFMSUURH-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000177059960 207289302 /nfs/dbraw/zinc/28/93/02/207289302.db2.gz DBFHRLFFMSUURH-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP CC(C)c1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328625779 258032490 /nfs/dbraw/zinc/03/24/90/258032490.db2.gz LATRSVXHXXZSCA-WMZOPIPTSA-N 2 2 325.460 3.124 10 0 EGAELP CC(C)c1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328625779 258032491 /nfs/dbraw/zinc/03/24/91/258032491.db2.gz LATRSVXHXXZSCA-WMZOPIPTSA-N 2 2 325.460 3.124 10 0 EGAELP c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246506646 141013515 /nfs/dbraw/zinc/01/35/15/141013515.db2.gz HYVCVNDJZBXZKF-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246506646 141013516 /nfs/dbraw/zinc/01/35/16/141013516.db2.gz HYVCVNDJZBXZKF-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246506646 141013517 /nfs/dbraw/zinc/01/35/17/141013517.db2.gz HYVCVNDJZBXZKF-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246506646 141013518 /nfs/dbraw/zinc/01/35/18/141013518.db2.gz HYVCVNDJZBXZKF-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246835405 141037730 /nfs/dbraw/zinc/03/77/30/141037730.db2.gz BWLCNCNNZIGZJH-HBUWYVDXSA-N 3 2 330.451 3.138 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246835405 141037732 /nfs/dbraw/zinc/03/77/32/141037732.db2.gz BWLCNCNNZIGZJH-HBUWYVDXSA-N 3 2 330.451 3.138 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255777 141144740 /nfs/dbraw/zinc/14/47/40/141144740.db2.gz QZCLNQNUCNVBDC-RHSMWYFYSA-N 2 2 347.409 3.293 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255777 141144741 /nfs/dbraw/zinc/14/47/41/141144741.db2.gz QZCLNQNUCNVBDC-RHSMWYFYSA-N 2 2 347.409 3.293 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc([S@](C)=O)cc1 ZINC000346194397 141177483 /nfs/dbraw/zinc/17/74/83/141177483.db2.gz GFRKSOBSAARMFX-QHCPKHFHSA-N 2 2 345.493 3.303 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc([S@](C)=O)cc1 ZINC000346194397 141177484 /nfs/dbraw/zinc/17/74/84/141177484.db2.gz GFRKSOBSAARMFX-QHCPKHFHSA-N 2 2 345.493 3.303 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000353438312 141295272 /nfs/dbraw/zinc/29/52/72/141295272.db2.gz XGXUOHFEHNZHTN-IYBDPMFKSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000353438312 141295274 /nfs/dbraw/zinc/29/52/74/141295274.db2.gz XGXUOHFEHNZHTN-IYBDPMFKSA-N 2 2 342.487 3.114 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353444506 141296830 /nfs/dbraw/zinc/29/68/30/141296830.db2.gz VQROWDFWSDOJOR-ACRUOGEOSA-N 3 2 345.506 3.253 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353444506 141296831 /nfs/dbraw/zinc/29/68/31/141296831.db2.gz VQROWDFWSDOJOR-ACRUOGEOSA-N 3 2 345.506 3.253 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000178325498 144069283 /nfs/dbraw/zinc/06/92/83/144069283.db2.gz QOGUABKGKILVCC-LJQANCHMSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000178325498 144069285 /nfs/dbraw/zinc/06/92/85/144069285.db2.gz QOGUABKGKILVCC-LJQANCHMSA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000178327043 144069435 /nfs/dbraw/zinc/06/94/35/144069435.db2.gz JTDJMPMFUPTBLL-MRXNPFEDSA-N 2 2 329.835 3.157 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000178327043 144069436 /nfs/dbraw/zinc/06/94/36/144069436.db2.gz JTDJMPMFUPTBLL-MRXNPFEDSA-N 2 2 329.835 3.157 10 0 EGAELP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344640533 144203522 /nfs/dbraw/zinc/20/35/22/144203522.db2.gz IGYJFTBJJIOMCY-OAHLLOKOSA-N 2 2 347.484 3.488 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351751460 144301587 /nfs/dbraw/zinc/30/15/87/144301587.db2.gz BLZXXNZOEYVRKJ-ZDUSSCGKSA-N 2 2 349.381 3.196 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351751460 144301588 /nfs/dbraw/zinc/30/15/88/144301588.db2.gz BLZXXNZOEYVRKJ-ZDUSSCGKSA-N 2 2 349.381 3.196 10 0 EGAELP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000374230064 144533375 /nfs/dbraw/zinc/53/33/75/144533375.db2.gz LXFCACGTONFWGF-KRWDZBQOSA-N 2 2 329.419 3.187 10 0 EGAELP C[NH+](C)CCC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000341157388 155197602 /nfs/dbraw/zinc/19/76/02/155197602.db2.gz BOUIFLHHXZLPOH-UHFFFAOYSA-N 2 2 332.311 3.069 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191304524 153187022 /nfs/dbraw/zinc/18/70/22/153187022.db2.gz SXTDIACWEQNHSJ-AWEZNQCLSA-N 2 2 338.459 3.378 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658225 153299059 /nfs/dbraw/zinc/29/90/59/153299059.db2.gz DKHJXHMSPLUWSA-VVLHAWIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658225 153299064 /nfs/dbraw/zinc/29/90/64/153299064.db2.gz DKHJXHMSPLUWSA-VVLHAWIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658225 153299067 /nfs/dbraw/zinc/29/90/67/153299067.db2.gz DKHJXHMSPLUWSA-VVLHAWIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658225 153299072 /nfs/dbraw/zinc/29/90/72/153299072.db2.gz DKHJXHMSPLUWSA-VVLHAWIVSA-N 2 2 329.488 3.021 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2nccn21 ZINC000345347751 156064161 /nfs/dbraw/zinc/06/41/61/156064161.db2.gz FFNFGTZKXCDAQE-PKOFMYQESA-N 2 2 336.483 3.389 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2nccn21 ZINC000345347751 156064164 /nfs/dbraw/zinc/06/41/64/156064164.db2.gz FFNFGTZKXCDAQE-PKOFMYQESA-N 2 2 336.483 3.389 10 0 EGAELP C[N@H+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348868863 156268663 /nfs/dbraw/zinc/26/86/63/156268663.db2.gz LKNOIEBSXGLYLV-XYPWUTKMSA-N 2 2 328.485 3.262 10 0 EGAELP C[N@@H+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348868863 156268668 /nfs/dbraw/zinc/26/86/68/156268668.db2.gz LKNOIEBSXGLYLV-XYPWUTKMSA-N 2 2 328.485 3.262 10 0 EGAELP C[NH+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348868863 156268670 /nfs/dbraw/zinc/26/86/70/156268670.db2.gz LKNOIEBSXGLYLV-XYPWUTKMSA-N 2 2 328.485 3.262 10 0 EGAELP C[NH+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348868863 156268672 /nfs/dbraw/zinc/26/86/72/156268672.db2.gz LKNOIEBSXGLYLV-XYPWUTKMSA-N 2 2 328.485 3.262 10 0 EGAELP CCOc1c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643692 162021403 /nfs/dbraw/zinc/02/14/03/162021403.db2.gz GHGXVIZMMJREQV-WBVHZDCISA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643692 162021405 /nfs/dbraw/zinc/02/14/05/162021405.db2.gz GHGXVIZMMJREQV-WBVHZDCISA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643692 162021407 /nfs/dbraw/zinc/02/14/07/162021407.db2.gz GHGXVIZMMJREQV-WBVHZDCISA-N 2 2 336.524 3.161 10 0 EGAELP CCOc1c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)nn1CC(C)C ZINC000093643692 162021411 /nfs/dbraw/zinc/02/14/11/162021411.db2.gz GHGXVIZMMJREQV-WBVHZDCISA-N 2 2 336.524 3.161 10 0 EGAELP Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112076336 162162384 /nfs/dbraw/zinc/16/23/84/162162384.db2.gz QZDDELOYMQYNIT-GOEBONIOSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112076336 162162388 /nfs/dbraw/zinc/16/23/88/162162388.db2.gz QZDDELOYMQYNIT-GOEBONIOSA-N 2 2 325.460 3.379 10 0 EGAELP CC[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+](CC)CC ZINC000337162366 163149713 /nfs/dbraw/zinc/14/97/13/163149713.db2.gz VICSYLMDTUFTIK-WMZOPIPTSA-N 2 2 346.519 3.046 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1C ZINC000354355862 166008221 /nfs/dbraw/zinc/00/82/21/166008221.db2.gz XUGGYYWFLYDYKL-DOTOQJQBSA-N 2 2 325.460 3.156 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1C ZINC000354355862 166008223 /nfs/dbraw/zinc/00/82/23/166008223.db2.gz XUGGYYWFLYDYKL-DOTOQJQBSA-N 2 2 325.460 3.156 10 0 EGAELP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346162507 164353699 /nfs/dbraw/zinc/35/36/99/164353699.db2.gz HISYOVJRZHLMQF-OAHLLOKOSA-N 2 2 346.500 3.062 10 0 EGAELP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346162507 164353703 /nfs/dbraw/zinc/35/37/03/164353703.db2.gz HISYOVJRZHLMQF-OAHLLOKOSA-N 2 2 346.500 3.062 10 0 EGAELP CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180569 164357972 /nfs/dbraw/zinc/35/79/72/164357972.db2.gz UCRZGJMSFHVWHV-UHFFFAOYSA-N 2 2 335.473 3.486 10 0 EGAELP CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180569 164357973 /nfs/dbraw/zinc/35/79/73/164357973.db2.gz UCRZGJMSFHVWHV-UHFFFAOYSA-N 2 2 335.473 3.486 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000352213123 165288597 /nfs/dbraw/zinc/28/85/97/165288597.db2.gz TUFNCSNMDCZAPY-UHFFFAOYSA-N 2 2 334.467 3.309 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000352213123 165288601 /nfs/dbraw/zinc/28/86/01/165288601.db2.gz TUFNCSNMDCZAPY-UHFFFAOYSA-N 2 2 334.467 3.309 10 0 EGAELP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]2CCOC2)cc1 ZINC000357856190 166794629 /nfs/dbraw/zinc/79/46/29/166794629.db2.gz TUDMJPCQMIHQCE-RXVVDRJESA-N 2 2 337.467 3.418 10 0 EGAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000359036626 167046047 /nfs/dbraw/zinc/04/60/47/167046047.db2.gz MHBNDDXQEATNJC-VCANKDNSSA-N 2 2 344.425 3.184 10 0 EGAELP CCOc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000359525921 167179286 /nfs/dbraw/zinc/17/92/86/167179286.db2.gz AJFRJQHDNCZUSY-LBPRGKRZSA-N 2 2 343.456 3.282 10 0 EGAELP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000359794182 167234294 /nfs/dbraw/zinc/23/42/94/167234294.db2.gz BRLMOUJJLXRWSW-OAHLLOKOSA-N 2 2 341.484 3.358 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000195258277 266169901 /nfs/dbraw/zinc/16/99/01/266169901.db2.gz JEKJSMIVJDXTHC-INIZCTEOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000195258277 266169904 /nfs/dbraw/zinc/16/99/04/266169904.db2.gz JEKJSMIVJDXTHC-INIZCTEOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC000195258277 266169906 /nfs/dbraw/zinc/16/99/06/266169906.db2.gz JEKJSMIVJDXTHC-INIZCTEOSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC000195258277 266169911 /nfs/dbraw/zinc/16/99/11/266169911.db2.gz JEKJSMIVJDXTHC-INIZCTEOSA-N 2 2 325.522 3.020 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000274819058 267291803 /nfs/dbraw/zinc/29/18/03/267291803.db2.gz JKVCRQSCKNUBIY-GOEBONIOSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000274819058 267291806 /nfs/dbraw/zinc/29/18/06/267291806.db2.gz JKVCRQSCKNUBIY-GOEBONIOSA-N 2 2 330.501 3.101 10 0 EGAELP FC(F)(F)Cn1cc[nH+]c1CNc1cc[nH+]cc1Br ZINC000274843834 267296525 /nfs/dbraw/zinc/29/65/25/267296525.db2.gz WCIQGDZSCSDZTO-UHFFFAOYSA-N 2 2 335.127 3.215 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417387 274027728 /nfs/dbraw/zinc/02/77/28/274027728.db2.gz QXWFGKPPWJCAGC-IAGOWNOFSA-N 2 2 341.499 3.034 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417387 274027730 /nfs/dbraw/zinc/02/77/30/274027730.db2.gz QXWFGKPPWJCAGC-IAGOWNOFSA-N 2 2 341.499 3.034 10 0 EGAELP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000359685729 274146487 /nfs/dbraw/zinc/14/64/87/274146487.db2.gz KXHCEBDPELGPFZ-IBGZPJMESA-N 2 2 336.439 3.435 10 0 EGAELP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279672368 275348676 /nfs/dbraw/zinc/34/86/76/275348676.db2.gz FNSBXOVKXUSHCD-FQEVSTJZSA-N 2 2 335.451 3.346 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000289414378 276335301 /nfs/dbraw/zinc/33/53/01/276335301.db2.gz PVRZRZOYLFRJTJ-PMACEKPBSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000289414378 276335302 /nfs/dbraw/zinc/33/53/02/276335302.db2.gz PVRZRZOYLFRJTJ-PMACEKPBSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccc(F)cc3)c2cc1C ZINC000051120984 307330012 /nfs/dbraw/zinc/33/00/12/307330012.db2.gz UWCSRZHFNCJYIK-SFHVURJKSA-N 2 2 341.430 3.285 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccc(F)cc3)c2cc1C ZINC000051120984 307330015 /nfs/dbraw/zinc/33/00/15/307330015.db2.gz UWCSRZHFNCJYIK-SFHVURJKSA-N 2 2 341.430 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccc(F)cc2)cc1 ZINC000414124280 309062335 /nfs/dbraw/zinc/06/23/35/309062335.db2.gz KPTMWSBEPRFDMM-HXUWFJFHSA-N 2 2 339.414 3.490 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)c1 ZINC000414129979 309062544 /nfs/dbraw/zinc/06/25/44/309062544.db2.gz WIORMDNTXIIQMO-AWEZNQCLSA-N 2 2 338.224 3.141 10 0 EGAELP CCCNC(=O)CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000414157134 309063770 /nfs/dbraw/zinc/06/37/70/309063770.db2.gz RGVMAIKUZIFAGW-LJQANCHMSA-N 2 2 342.487 3.137 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292828083 308070143 /nfs/dbraw/zinc/07/01/43/308070143.db2.gz AHOLHBVBMODGFN-IBGZPJMESA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292828083 308070145 /nfs/dbraw/zinc/07/01/45/308070145.db2.gz AHOLHBVBMODGFN-IBGZPJMESA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292828083 308070147 /nfs/dbraw/zinc/07/01/47/308070147.db2.gz AHOLHBVBMODGFN-IBGZPJMESA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292828083 308070148 /nfs/dbraw/zinc/07/01/48/308070148.db2.gz AHOLHBVBMODGFN-IBGZPJMESA-N 2 2 347.528 3.378 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2F)[C@H](C)C1 ZINC000293498473 308136467 /nfs/dbraw/zinc/13/64/67/308136467.db2.gz HCQKDJNBIPSJAJ-BEFAXECRSA-N 2 2 338.467 3.061 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2F)[C@H](C)C1 ZINC000293498473 308136468 /nfs/dbraw/zinc/13/64/68/308136468.db2.gz HCQKDJNBIPSJAJ-BEFAXECRSA-N 2 2 338.467 3.061 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000414817275 309103445 /nfs/dbraw/zinc/10/34/45/309103445.db2.gz RWCIOPJSKOZHTQ-ZDUSSCGKSA-N 3 2 329.410 3.213 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414834167 309104569 /nfs/dbraw/zinc/10/45/69/309104569.db2.gz QIDXEAXEUDMVRE-GUYCJALGSA-N 2 2 331.847 3.347 10 0 EGAELP CCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000414838305 309104744 /nfs/dbraw/zinc/10/47/44/309104744.db2.gz VJINJLHFVHTWMQ-OAHLLOKOSA-N 2 2 336.382 3.476 10 0 EGAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)CCC2 ZINC000328763497 308773888 /nfs/dbraw/zinc/77/38/88/308773888.db2.gz FTBZUZNHZOFLRA-UKRRQHHQSA-N 2 2 332.473 3.167 10 0 EGAELP c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(NC2CC2)[nH+]1 ZINC000413116827 309016963 /nfs/dbraw/zinc/01/69/63/309016963.db2.gz HXUNBSWQMOEVRP-INIZCTEOSA-N 2 2 329.492 3.143 10 0 EGAELP c1nc(NC2CC2)cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000413116827 309016964 /nfs/dbraw/zinc/01/69/64/309016964.db2.gz HXUNBSWQMOEVRP-INIZCTEOSA-N 2 2 329.492 3.143 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[NH2+]C2)o1 ZINC000414871477 309106513 /nfs/dbraw/zinc/10/65/13/309106513.db2.gz UWNZJAZUILUUBR-QGZVFWFLSA-N 2 2 336.439 3.282 10 0 EGAELP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051737 309116562 /nfs/dbraw/zinc/11/65/62/309116562.db2.gz MLPGXWWQAKYJPF-GDBMZVCRSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051737 309116563 /nfs/dbraw/zinc/11/65/63/309116563.db2.gz MLPGXWWQAKYJPF-GDBMZVCRSA-N 2 2 338.879 3.321 10 0 EGAELP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000415054438 309116891 /nfs/dbraw/zinc/11/68/91/309116891.db2.gz LYGHHZPMXBUENP-DNVCBOLYSA-N 2 2 345.512 3.447 10 0 EGAELP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000415054438 309116892 /nfs/dbraw/zinc/11/68/92/309116892.db2.gz LYGHHZPMXBUENP-DNVCBOLYSA-N 2 2 345.512 3.447 10 0 EGAELP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCC[NH3+])CC2 ZINC000420326769 309282364 /nfs/dbraw/zinc/28/23/64/309282364.db2.gz XQBIHMJQTNEIGM-SFHVURJKSA-N 2 2 332.469 3.062 10 0 EGAELP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCC[NH3+])CC2 ZINC000420326769 309282365 /nfs/dbraw/zinc/28/23/65/309282365.db2.gz XQBIHMJQTNEIGM-SFHVURJKSA-N 2 2 332.469 3.062 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359042 309284134 /nfs/dbraw/zinc/28/41/34/309284134.db2.gz FNKNEWOYEAJKKU-HRAATJIYSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359042 309284135 /nfs/dbraw/zinc/28/41/35/309284135.db2.gz FNKNEWOYEAJKKU-HRAATJIYSA-N 2 2 337.467 3.242 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383890 309285429 /nfs/dbraw/zinc/28/54/29/309285429.db2.gz SXBXDXBDUIYEHJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383890 309285430 /nfs/dbraw/zinc/28/54/30/309285430.db2.gz SXBXDXBDUIYEHJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421826162 309341869 /nfs/dbraw/zinc/34/18/69/309341869.db2.gz RFCAFOPOYGQBFE-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421826162 309341870 /nfs/dbraw/zinc/34/18/70/309341870.db2.gz RFCAFOPOYGQBFE-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866636 309344186 /nfs/dbraw/zinc/34/41/86/309344186.db2.gz BHBFVYHHRDRXDM-AOIWGVFYSA-N 2 2 345.556 3.415 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866636 309344187 /nfs/dbraw/zinc/34/41/87/309344187.db2.gz BHBFVYHHRDRXDM-AOIWGVFYSA-N 2 2 345.556 3.415 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422560308 309361689 /nfs/dbraw/zinc/36/16/89/309361689.db2.gz GFVUHXZATFKDNX-UHFFFAOYSA-N 2 2 344.890 3.470 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422729813 309365443 /nfs/dbraw/zinc/36/54/43/309365443.db2.gz COUHOEUOCWYNPS-NJYVYQBISA-N 2 2 340.467 3.466 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2OC)[C@H]2CCC[NH2+]2)cc1 ZINC000422763949 309367137 /nfs/dbraw/zinc/36/71/37/309367137.db2.gz PAININVDUJUDNV-TZIWHRDSSA-N 2 2 340.467 3.329 10 0 EGAELP COc1ccc([C@@H](NCc2[nH+]ccn2CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780615 309367848 /nfs/dbraw/zinc/36/78/48/309367848.db2.gz JMKNBRHMYOJSKN-UYAOXDASSA-N 2 2 342.487 3.131 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000422836701 309371068 /nfs/dbraw/zinc/37/10/68/309371068.db2.gz RSYZAJLANUIASG-PWRODBHTSA-N 3 2 338.499 3.332 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423046018 309382849 /nfs/dbraw/zinc/38/28/49/309382849.db2.gz DUFDAJJPGSTRDY-LMCOJAPRSA-N 2 2 330.472 3.036 10 0 EGAELP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423121702 309386970 /nfs/dbraw/zinc/38/69/70/309386970.db2.gz BCOARGCSINGVMV-SFTDATJTSA-N 2 2 340.442 3.349 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2ncccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423157791 309388708 /nfs/dbraw/zinc/38/87/08/309388708.db2.gz VVCXMEADSPWQFG-NHCUHLMSSA-N 2 2 339.483 3.414 10 0 EGAELP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423193144 309389877 /nfs/dbraw/zinc/38/98/77/309389877.db2.gz WQUOLVSLWAWCPC-OAHLLOKOSA-N 2 2 335.373 3.256 10 0 EGAELP COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224354 309391179 /nfs/dbraw/zinc/39/11/79/309391179.db2.gz BYNSZLZTZXVHJR-JKSUJKDBSA-N 2 2 340.471 3.104 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000423245791 309392185 /nfs/dbraw/zinc/39/21/85/309392185.db2.gz JMAIIPQLXWBXKO-HSALFYBXSA-N 2 2 338.451 3.458 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423253609 309392499 /nfs/dbraw/zinc/39/24/99/309392499.db2.gz ZCNBCQHXSYRWPX-RVKKMQEKSA-N 2 2 328.456 3.485 10 0 EGAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281246 309393749 /nfs/dbraw/zinc/39/37/49/309393749.db2.gz BAPJCBGPTVKNPV-PZJWPPBQSA-N 3 2 343.515 3.144 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423370589 309397597 /nfs/dbraw/zinc/39/75/97/309397597.db2.gz UJPCTABUBOFAGY-OWYVNGRQSA-N 2 2 327.241 3.163 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033442 310031291 /nfs/dbraw/zinc/03/12/91/310031291.db2.gz ZVUYFKGYDDJUNN-OXQOHEQNSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033442 310031292 /nfs/dbraw/zinc/03/12/92/310031292.db2.gz ZVUYFKGYDDJUNN-OXQOHEQNSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033442 310031293 /nfs/dbraw/zinc/03/12/93/310031293.db2.gz ZVUYFKGYDDJUNN-OXQOHEQNSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033442 310031294 /nfs/dbraw/zinc/03/12/94/310031294.db2.gz ZVUYFKGYDDJUNN-OXQOHEQNSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CCC([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064966 310034054 /nfs/dbraw/zinc/03/40/54/310034054.db2.gz RHAXFFLUESLINL-GOSISDBHSA-N 3 2 329.532 3.156 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000449187616 310043150 /nfs/dbraw/zinc/04/31/50/310043150.db2.gz KZZYUYNELNQHSX-JXFKEZNVSA-N 2 2 338.499 3.472 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000449187616 310043151 /nfs/dbraw/zinc/04/31/51/310043151.db2.gz KZZYUYNELNQHSX-JXFKEZNVSA-N 2 2 338.499 3.472 10 0 EGAELP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000449492882 310066698 /nfs/dbraw/zinc/06/66/98/310066698.db2.gz KIBGYMBTIBTBIM-ICSRJNTNSA-N 2 2 331.504 3.087 10 0 EGAELP CCc1ncc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000449607622 310075019 /nfs/dbraw/zinc/07/50/19/310075019.db2.gz BPOJGPWLKFFOGD-UHFFFAOYSA-N 2 2 331.435 3.173 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449756192 310084861 /nfs/dbraw/zinc/08/48/61/310084861.db2.gz ASFMIEFMRDFRCX-UHFFFAOYSA-N 2 2 329.410 3.281 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449756192 310084862 /nfs/dbraw/zinc/08/48/62/310084862.db2.gz ASFMIEFMRDFRCX-UHFFFAOYSA-N 2 2 329.410 3.281 10 0 EGAELP C[N@H+](Cc1cnn2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786246 310087088 /nfs/dbraw/zinc/08/70/88/310087088.db2.gz MGBSUCSZGRBQQG-UHFFFAOYSA-N 2 2 340.393 3.183 10 0 EGAELP C[N@@H+](Cc1cnn2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786246 310087089 /nfs/dbraw/zinc/08/70/89/310087089.db2.gz MGBSUCSZGRBQQG-UHFFFAOYSA-N 2 2 340.393 3.183 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927731 310150164 /nfs/dbraw/zinc/15/01/64/310150164.db2.gz QHHBIRFEUCCZDP-AWEZNQCLSA-N 2 2 343.500 3.328 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927731 310150165 /nfs/dbraw/zinc/15/01/65/310150165.db2.gz QHHBIRFEUCCZDP-AWEZNQCLSA-N 2 2 343.500 3.328 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258627 310267340 /nfs/dbraw/zinc/26/73/40/310267340.db2.gz IAPVKWFMCRLWPQ-JKSUJKDBSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258627 310267341 /nfs/dbraw/zinc/26/73/41/310267341.db2.gz IAPVKWFMCRLWPQ-JKSUJKDBSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292967 310269511 /nfs/dbraw/zinc/26/95/11/310269511.db2.gz PBDSFLZTMYGXMM-HOTGVXAUSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292967 310269512 /nfs/dbraw/zinc/26/95/12/310269512.db2.gz PBDSFLZTMYGXMM-HOTGVXAUSA-N 2 2 330.447 3.476 10 0 EGAELP COCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332931 310271493 /nfs/dbraw/zinc/27/14/93/310271493.db2.gz CVECDPXASQVTQN-RCBQFDQVSA-N 2 2 330.394 3.323 10 0 EGAELP COCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332931 310271494 /nfs/dbraw/zinc/27/14/94/310271494.db2.gz CVECDPXASQVTQN-RCBQFDQVSA-N 2 2 330.394 3.323 10 0 EGAELP Cc1cc(C)c(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C)[nH+]1 ZINC000455479875 310362841 /nfs/dbraw/zinc/36/28/41/310362841.db2.gz OALJTDFCFQYZEH-GOSISDBHSA-N 2 2 340.471 3.301 10 0 EGAELP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459660449 310567001 /nfs/dbraw/zinc/56/70/01/310567001.db2.gz OIYREZRTZBHBOW-UZLBHIALSA-N 3 2 326.488 3.467 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)Cc2ccccc2C1 ZINC000466342454 310650135 /nfs/dbraw/zinc/65/01/35/310650135.db2.gz DMUPKJKLWNVEGM-JRGCBEDISA-N 2 2 342.527 3.271 10 0 EGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482238528 310928862 /nfs/dbraw/zinc/92/88/62/310928862.db2.gz MKJSMYWVODCUGF-OAQYLSRUSA-N 2 2 338.495 3.317 10 0 EGAELP COc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000489524328 311110353 /nfs/dbraw/zinc/11/03/53/311110353.db2.gz UYSFCWAHDGFZJZ-UHFFFAOYSA-N 2 2 333.435 3.482 10 0 EGAELP COc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000489524328 311110355 /nfs/dbraw/zinc/11/03/55/311110355.db2.gz UYSFCWAHDGFZJZ-UHFFFAOYSA-N 2 2 333.435 3.482 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](CC(C)C)C(=O)OC ZINC000509656768 312122648 /nfs/dbraw/zinc/12/26/48/312122648.db2.gz HVAKCOUWIVPWQH-SFHVURJKSA-N 2 2 347.503 3.208 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](CC(C)C)C(=O)OC ZINC000509656768 312122650 /nfs/dbraw/zinc/12/26/50/312122650.db2.gz HVAKCOUWIVPWQH-SFHVURJKSA-N 2 2 347.503 3.208 10 0 EGAELP CCCCc1noc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000516030859 312306325 /nfs/dbraw/zinc/30/63/25/312306325.db2.gz ZRHCEPZCDVKUMY-CQSZACIVSA-N 2 2 329.448 3.445 10 0 EGAELP Cc1[nH+]cn(-c2ccc(NC(=O)CCN(C)c3cc[nH+]cc3)cc2)c1C ZINC000517212163 312367964 /nfs/dbraw/zinc/36/79/64/312367964.db2.gz BQJGUPCQQPJAIA-UHFFFAOYSA-N 2 2 349.438 3.349 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553874 313353556 /nfs/dbraw/zinc/35/35/56/313353556.db2.gz JAAHXYCJDAVLSB-QAPCUYQASA-N 2 2 338.442 3.301 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553874 313353558 /nfs/dbraw/zinc/35/35/58/313353558.db2.gz JAAHXYCJDAVLSB-QAPCUYQASA-N 2 2 338.442 3.301 10 0 EGAELP COc1ccccc1CCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000535689560 314060461 /nfs/dbraw/zinc/06/04/61/314060461.db2.gz GYMDFMXNKDXZMQ-UHFFFAOYSA-N 2 2 325.456 3.153 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000536607510 314129851 /nfs/dbraw/zinc/12/98/51/314129851.db2.gz YWOGHQHDXGSBHV-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000536607510 314129854 /nfs/dbraw/zinc/12/98/54/314129854.db2.gz YWOGHQHDXGSBHV-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000540143895 314365512 /nfs/dbraw/zinc/36/55/12/314365512.db2.gz JGOMMPXWTLYTBE-FIXISWKDSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000540143895 314365516 /nfs/dbraw/zinc/36/55/16/314365516.db2.gz JGOMMPXWTLYTBE-FIXISWKDSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000540143900 314365732 /nfs/dbraw/zinc/36/57/32/314365732.db2.gz JGOMMPXWTLYTBE-UEKVPHQBSA-N 2 2 329.257 3.059 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[NH+](CC)CC)cc1 ZINC000551229637 315146297 /nfs/dbraw/zinc/14/62/97/315146297.db2.gz WXAWQAOOUIMIGK-MOPGFXCFSA-N 2 2 345.531 3.279 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000551898729 315175948 /nfs/dbraw/zinc/17/59/48/315175948.db2.gz OYRLWFHSFCNGJI-ZIAGYGMSSA-N 2 2 344.484 3.089 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCSC[C@H](C)C1 ZINC000551898729 315175950 /nfs/dbraw/zinc/17/59/50/315175950.db2.gz OYRLWFHSFCNGJI-ZIAGYGMSSA-N 2 2 344.484 3.089 10 0 EGAELP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000564773017 316201376 /nfs/dbraw/zinc/20/13/76/316201376.db2.gz OQCPUMFBKHLRJI-UHFFFAOYSA-N 2 2 335.411 3.099 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959587 316236978 /nfs/dbraw/zinc/23/69/78/316236978.db2.gz CWGFRVZHJSEMAP-SCTDSRPQSA-N 2 2 343.515 3.076 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959587 316236983 /nfs/dbraw/zinc/23/69/83/316236983.db2.gz CWGFRVZHJSEMAP-SCTDSRPQSA-N 2 2 343.515 3.076 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)n1C ZINC000565237146 316297278 /nfs/dbraw/zinc/29/72/78/316297278.db2.gz FSQCFAZGWGFVDS-MOPGFXCFSA-N 2 2 348.441 3.320 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000379622568 324240071 /nfs/dbraw/zinc/24/00/71/324240071.db2.gz GTOMDDYRRRFVCY-HAGHYFMRSA-N 2 2 328.500 3.444 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000379622568 324240076 /nfs/dbraw/zinc/24/00/76/324240076.db2.gz GTOMDDYRRRFVCY-HAGHYFMRSA-N 2 2 328.500 3.444 10 0 EGAELP Cc1ccc2[nH+]cc(CNc3cc[nH+]c(C)c3Br)n2c1 ZINC000579184944 325072578 /nfs/dbraw/zinc/07/25/78/325072578.db2.gz AQMCMEXBWKRKJF-UHFFFAOYSA-N 2 2 331.217 3.143 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1C ZINC000581082582 325328704 /nfs/dbraw/zinc/32/87/04/325328704.db2.gz LBJZVVCJLJZLSH-IRXDYDNUSA-N 2 2 336.842 3.056 10 0 EGAELP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000581545200 325370545 /nfs/dbraw/zinc/37/05/45/325370545.db2.gz DZYLNPQHUGROMU-KRWDZBQOSA-N 2 2 331.435 3.311 10 0 EGAELP CCc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)on1 ZINC000582162115 325418575 /nfs/dbraw/zinc/41/85/75/325418575.db2.gz APNCIWNDWDALPU-MRXNPFEDSA-N 2 2 327.472 3.422 10 0 EGAELP C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656361 455219686 /nfs/dbraw/zinc/21/96/86/455219686.db2.gz JEGOSSNBKXGUQA-OXQOHEQNSA-N 2 2 348.450 3.352 10 0 EGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655792 455219892 /nfs/dbraw/zinc/21/98/92/455219892.db2.gz XOKQFKJBWMRSGA-TXPKVOOTSA-N 2 2 340.471 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424274087 458601611 /nfs/dbraw/zinc/60/16/11/458601611.db2.gz VDZFQAQYKJNGGB-ZIAGYGMSSA-N 2 2 326.868 3.110 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833706 460576608 /nfs/dbraw/zinc/57/66/08/460576608.db2.gz GRAGHHIGEQBBIA-LJQANCHMSA-N 2 2 329.488 3.016 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833706 460576610 /nfs/dbraw/zinc/57/66/10/460576610.db2.gz GRAGHHIGEQBBIA-LJQANCHMSA-N 2 2 329.488 3.016 10 0 EGAELP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886433 460589491 /nfs/dbraw/zinc/58/94/91/460589491.db2.gz HBWVXWPBBZWPMM-GOEBONIOSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886433 460589496 /nfs/dbraw/zinc/58/94/96/460589496.db2.gz HBWVXWPBBZWPMM-GOEBONIOSA-N 2 2 346.862 3.006 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733209 455367570 /nfs/dbraw/zinc/36/75/70/455367570.db2.gz KDYOGFHBUMABLD-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733209 455367574 /nfs/dbraw/zinc/36/75/74/455367574.db2.gz KDYOGFHBUMABLD-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733209 455367580 /nfs/dbraw/zinc/36/75/80/455367580.db2.gz KDYOGFHBUMABLD-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000245733209 455367583 /nfs/dbraw/zinc/36/75/83/455367583.db2.gz KDYOGFHBUMABLD-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000042228146 454001420 /nfs/dbraw/zinc/00/14/20/454001420.db2.gz STBJSLRAXGRJQK-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(Cc2ccccc2)no1 ZINC000084667720 454004598 /nfs/dbraw/zinc/00/45/98/454004598.db2.gz HWSUPGMHPZSYDQ-GDBMZVCRSA-N 2 2 337.427 3.085 10 0 EGAELP Fc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000089768332 454194165 /nfs/dbraw/zinc/19/41/65/454194165.db2.gz HBFQSPJAPPHMRC-UHFFFAOYSA-N 2 2 331.410 3.157 10 0 EGAELP Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000078425012 454251710 /nfs/dbraw/zinc/25/17/10/454251710.db2.gz SKAYTSNXZUGTHO-KRWDZBQOSA-N 2 2 337.471 3.159 10 0 EGAELP c1csc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)co2)c1 ZINC000131857983 454291533 /nfs/dbraw/zinc/29/15/33/454291533.db2.gz IBHUJBTWJCDBES-OAHLLOKOSA-N 2 2 327.409 3.451 10 0 EGAELP c1csc(-c2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)co2)c1 ZINC000131857983 454291537 /nfs/dbraw/zinc/29/15/37/454291537.db2.gz IBHUJBTWJCDBES-OAHLLOKOSA-N 2 2 327.409 3.451 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n[nH]1 ZINC000090528111 454317716 /nfs/dbraw/zinc/31/77/16/454317716.db2.gz GIUSTFDAHLLHLL-OAHLLOKOSA-N 2 2 344.478 3.085 10 0 EGAELP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000121114610 454392644 /nfs/dbraw/zinc/39/26/44/454392644.db2.gz NDEUJFIHISXSNE-LSDHHAIUSA-N 2 2 343.427 3.265 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623615428 460642818 /nfs/dbraw/zinc/64/28/18/460642818.db2.gz CROJGJHTFYAHTO-KCYZZUKISA-N 2 2 340.389 3.137 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623615428 460642820 /nfs/dbraw/zinc/64/28/20/460642820.db2.gz CROJGJHTFYAHTO-KCYZZUKISA-N 2 2 340.389 3.137 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937467 454612575 /nfs/dbraw/zinc/61/25/75/454612575.db2.gz IMYRXHUYKIXWRK-BEFAXECRSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134937467 454612581 /nfs/dbraw/zinc/61/25/81/454612581.db2.gz IMYRXHUYKIXWRK-BEFAXECRSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134937467 454612583 /nfs/dbraw/zinc/61/25/83/454612583.db2.gz IMYRXHUYKIXWRK-BEFAXECRSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134937467 454612590 /nfs/dbraw/zinc/61/25/90/454612590.db2.gz IMYRXHUYKIXWRK-BEFAXECRSA-N 2 2 346.446 3.061 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000123188508 454612804 /nfs/dbraw/zinc/61/28/04/454612804.db2.gz QWVGWNDAFQRXDK-RDJZCZTQSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000123188508 454612809 /nfs/dbraw/zinc/61/28/09/454612809.db2.gz QWVGWNDAFQRXDK-RDJZCZTQSA-N 2 2 339.439 3.429 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080960426 454656869 /nfs/dbraw/zinc/65/68/69/454656869.db2.gz DOWDWRUPTMBSNQ-HNNXBMFYSA-N 2 2 338.411 3.453 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080960426 454656871 /nfs/dbraw/zinc/65/68/71/454656871.db2.gz DOWDWRUPTMBSNQ-HNNXBMFYSA-N 2 2 338.411 3.453 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000123640198 454661359 /nfs/dbraw/zinc/66/13/59/454661359.db2.gz GTVAHYAUNUDHGI-IBGZPJMESA-N 2 2 349.482 3.120 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000123640198 454661363 /nfs/dbraw/zinc/66/13/63/454661363.db2.gz GTVAHYAUNUDHGI-IBGZPJMESA-N 2 2 349.482 3.120 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096184 454685487 /nfs/dbraw/zinc/68/54/87/454685487.db2.gz RGQDQTYVLWKTBQ-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096184 454685491 /nfs/dbraw/zinc/68/54/91/454685491.db2.gz RGQDQTYVLWKTBQ-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096184 454685493 /nfs/dbraw/zinc/68/54/93/454685493.db2.gz RGQDQTYVLWKTBQ-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@H](C)C1 ZINC000081096184 454685497 /nfs/dbraw/zinc/68/54/97/454685497.db2.gz RGQDQTYVLWKTBQ-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CCCn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124679698 454759868 /nfs/dbraw/zinc/75/98/68/454759868.db2.gz GVBQULQVASTKLH-IBGZPJMESA-N 2 2 326.488 3.247 10 0 EGAELP CCCn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124679698 454759870 /nfs/dbraw/zinc/75/98/70/454759870.db2.gz GVBQULQVASTKLH-IBGZPJMESA-N 2 2 326.488 3.247 10 0 EGAELP CCCn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000124679698 454759874 /nfs/dbraw/zinc/75/98/74/454759874.db2.gz GVBQULQVASTKLH-IBGZPJMESA-N 2 2 326.488 3.247 10 0 EGAELP CCCn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000124679698 454759879 /nfs/dbraw/zinc/75/98/79/454759879.db2.gz GVBQULQVASTKLH-IBGZPJMESA-N 2 2 326.488 3.247 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000125172506 454801852 /nfs/dbraw/zinc/80/18/52/454801852.db2.gz ZCKFOROGVMKYIP-DLBZAZTESA-N 2 2 348.454 3.157 10 0 EGAELP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000125172506 454801855 /nfs/dbraw/zinc/80/18/55/454801855.db2.gz ZCKFOROGVMKYIP-DLBZAZTESA-N 2 2 348.454 3.157 10 0 EGAELP Cc1csc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)n1 ZINC000177088502 454821589 /nfs/dbraw/zinc/82/15/89/454821589.db2.gz MTORPRYJJJNHKF-UHFFFAOYSA-N 2 2 339.468 3.412 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100194 454823453 /nfs/dbraw/zinc/82/34/53/454823453.db2.gz QDPKYHUQWTXMFD-AWEZNQCLSA-N 2 2 329.835 3.088 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100194 454823456 /nfs/dbraw/zinc/82/34/56/454823456.db2.gz QDPKYHUQWTXMFD-AWEZNQCLSA-N 2 2 329.835 3.088 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000163399779 454844345 /nfs/dbraw/zinc/84/43/45/454844345.db2.gz MWVIBNWBRBLPOB-BBRMVZONSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000163399779 454844348 /nfs/dbraw/zinc/84/43/48/454844348.db2.gz MWVIBNWBRBLPOB-BBRMVZONSA-N 2 2 330.394 3.467 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CC1 ZINC000110431767 454846118 /nfs/dbraw/zinc/84/61/18/454846118.db2.gz SPYSYUAGEVYFNR-NRFANRHFSA-N 2 2 342.458 3.283 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CC1 ZINC000110431767 454846121 /nfs/dbraw/zinc/84/61/21/454846121.db2.gz SPYSYUAGEVYFNR-NRFANRHFSA-N 2 2 342.458 3.283 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000110431767 454846125 /nfs/dbraw/zinc/84/61/25/454846125.db2.gz SPYSYUAGEVYFNR-NRFANRHFSA-N 2 2 342.458 3.283 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000110431767 454846128 /nfs/dbraw/zinc/84/61/28/454846128.db2.gz SPYSYUAGEVYFNR-NRFANRHFSA-N 2 2 342.458 3.283 10 0 EGAELP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000126398623 454890574 /nfs/dbraw/zinc/89/05/74/454890574.db2.gz ZOTHWTHDDCWDQX-ZWKOTPCHSA-N 2 2 331.504 3.480 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000178317262 454948905 /nfs/dbraw/zinc/94/89/05/454948905.db2.gz WRVGIRQZVUIGHH-SFHVURJKSA-N 2 2 338.459 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000178317262 454948909 /nfs/dbraw/zinc/94/89/09/454948909.db2.gz WRVGIRQZVUIGHH-SFHVURJKSA-N 2 2 338.459 3.182 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000151259838 454959895 /nfs/dbraw/zinc/95/98/95/454959895.db2.gz FJCUWMMYFIYTJF-ZIAGYGMSSA-N 2 2 346.393 3.083 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747608 454971862 /nfs/dbraw/zinc/97/18/62/454971862.db2.gz IHZXGJADJQSGFM-INIZCTEOSA-N 2 2 341.434 3.365 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000151343788 454972252 /nfs/dbraw/zinc/97/22/52/454972252.db2.gz HAQREFXFTAHPNQ-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000151510346 454994999 /nfs/dbraw/zinc/99/49/99/454994999.db2.gz OXBHRYQPAGOZEF-CQSZACIVSA-N 2 2 339.468 3.453 10 0 EGAELP Brc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000127886754 455005928 /nfs/dbraw/zinc/00/59/28/455005928.db2.gz DHXJLTZHLQCRHO-UHFFFAOYSA-N 2 2 338.274 3.228 10 0 EGAELP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129053393 455096045 /nfs/dbraw/zinc/09/60/45/455096045.db2.gz VIORZXQWIOUAGC-JXFKEZNVSA-N 2 2 346.434 3.328 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCCCC1 ZINC000118834307 455114079 /nfs/dbraw/zinc/11/40/79/455114079.db2.gz KFJJKDZRFFDLPW-GOSISDBHSA-N 2 2 335.536 3.023 10 0 EGAELP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCCCC1 ZINC000118834307 455114084 /nfs/dbraw/zinc/11/40/84/455114084.db2.gz KFJJKDZRFFDLPW-GOSISDBHSA-N 2 2 335.536 3.023 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000180569886 455199332 /nfs/dbraw/zinc/19/93/32/455199332.db2.gz DFGAKRZIVZWYHV-DOTOQJQBSA-N 2 2 325.460 3.146 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000180572416 455200103 /nfs/dbraw/zinc/20/01/03/455200103.db2.gz VUYMYSDLXRBDHK-KBPBESRZSA-N 2 2 331.489 3.208 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1 ZINC000183673833 455319860 /nfs/dbraw/zinc/31/98/60/455319860.db2.gz YPTSCDVNGOANCI-HNNXBMFYSA-N 2 2 338.459 3.279 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000190466617 455324623 /nfs/dbraw/zinc/32/46/23/455324623.db2.gz RTSSRUUSLDVUJF-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000190466617 455324629 /nfs/dbraw/zinc/32/46/29/455324629.db2.gz RTSSRUUSLDVUJF-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(C(C)C)c2)C1 ZINC000190466617 455324632 /nfs/dbraw/zinc/32/46/32/455324632.db2.gz RTSSRUUSLDVUJF-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(C(C)C)c2)C1 ZINC000190466617 455324636 /nfs/dbraw/zinc/32/46/36/455324636.db2.gz RTSSRUUSLDVUJF-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468190 455325941 /nfs/dbraw/zinc/32/59/41/455325941.db2.gz FQYBODFVGUHJDA-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468190 455325947 /nfs/dbraw/zinc/32/59/47/455325947.db2.gz FQYBODFVGUHJDA-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468190 455325953 /nfs/dbraw/zinc/32/59/53/455325953.db2.gz FQYBODFVGUHJDA-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468190 455325960 /nfs/dbraw/zinc/32/59/60/455325960.db2.gz FQYBODFVGUHJDA-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP CC(C)N(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265485671 455333829 /nfs/dbraw/zinc/33/38/29/455333829.db2.gz MAGDMAJEBWAYID-UHFFFAOYSA-N 2 2 326.444 3.031 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245636707 455345391 /nfs/dbraw/zinc/34/53/91/455345391.db2.gz CFHCCYSCDRXPBK-QFBILLFUSA-N 2 2 335.455 3.367 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245636707 455345394 /nfs/dbraw/zinc/34/53/94/455345394.db2.gz CFHCCYSCDRXPBK-QFBILLFUSA-N 2 2 335.455 3.367 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724896 455365578 /nfs/dbraw/zinc/36/55/78/455365578.db2.gz IPQPVPSHWTXGEQ-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724896 455365581 /nfs/dbraw/zinc/36/55/81/455365581.db2.gz IPQPVPSHWTXGEQ-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724896 455365583 /nfs/dbraw/zinc/36/55/83/455365583.db2.gz IPQPVPSHWTXGEQ-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724896 455365584 /nfs/dbraw/zinc/36/55/84/455365584.db2.gz IPQPVPSHWTXGEQ-XJKSGUPXSA-N 2 2 342.430 3.459 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000246230705 455453217 /nfs/dbraw/zinc/45/32/17/455453217.db2.gz MQAZMBDIYCNECE-CRAIPNDOSA-N 2 2 326.440 3.011 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000246230705 455453220 /nfs/dbraw/zinc/45/32/20/455453220.db2.gz MQAZMBDIYCNECE-CRAIPNDOSA-N 2 2 326.440 3.011 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487501 455499253 /nfs/dbraw/zinc/49/92/53/455499253.db2.gz GYGAJZCNFMZBCV-PXNSSMCTSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487501 455499258 /nfs/dbraw/zinc/49/92/58/455499258.db2.gz GYGAJZCNFMZBCV-PXNSSMCTSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487501 455499263 /nfs/dbraw/zinc/49/92/63/455499263.db2.gz GYGAJZCNFMZBCV-PXNSSMCTSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487501 455499266 /nfs/dbraw/zinc/49/92/66/455499266.db2.gz GYGAJZCNFMZBCV-PXNSSMCTSA-N 2 2 342.483 3.217 10 0 EGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000246924884 455535993 /nfs/dbraw/zinc/53/59/93/455535993.db2.gz GXHOGYLAJMXJKT-HIFRSBDPSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000246924884 455535997 /nfs/dbraw/zinc/53/59/97/455535997.db2.gz GXHOGYLAJMXJKT-HIFRSBDPSA-N 2 2 339.277 3.347 10 0 EGAELP COCCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247277659 455582161 /nfs/dbraw/zinc/58/21/61/455582161.db2.gz YKHAZTFTIZWESP-FXAWDEMLSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247277659 455582167 /nfs/dbraw/zinc/58/21/67/455582167.db2.gz YKHAZTFTIZWESP-FXAWDEMLSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247277659 455582169 /nfs/dbraw/zinc/58/21/69/455582169.db2.gz YKHAZTFTIZWESP-FXAWDEMLSA-N 2 2 344.499 3.161 10 0 EGAELP COCCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247277659 455582172 /nfs/dbraw/zinc/58/21/72/455582172.db2.gz YKHAZTFTIZWESP-FXAWDEMLSA-N 2 2 344.499 3.161 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)c1ccccc1 ZINC000247338192 455589474 /nfs/dbraw/zinc/58/94/74/455589474.db2.gz ZNYRTUJFRJLTLJ-IHPCNDPISA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)c1ccccc1 ZINC000247338192 455589476 /nfs/dbraw/zinc/58/94/76/455589476.db2.gz ZNYRTUJFRJLTLJ-IHPCNDPISA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000247338192 455589478 /nfs/dbraw/zinc/58/94/78/455589478.db2.gz ZNYRTUJFRJLTLJ-IHPCNDPISA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000247338192 455589482 /nfs/dbraw/zinc/58/94/82/455589482.db2.gz ZNYRTUJFRJLTLJ-IHPCNDPISA-N 2 2 345.531 3.306 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247618274 455630452 /nfs/dbraw/zinc/63/04/52/455630452.db2.gz NADODJUPQAULKX-KSSFIOAISA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247618274 455630453 /nfs/dbraw/zinc/63/04/53/455630453.db2.gz NADODJUPQAULKX-KSSFIOAISA-N 2 2 341.434 3.475 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149514 455688361 /nfs/dbraw/zinc/68/83/61/455688361.db2.gz QPIJTIIRWAIRKJ-CHWSQXEVSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149514 455688362 /nfs/dbraw/zinc/68/83/62/455688362.db2.gz QPIJTIIRWAIRKJ-CHWSQXEVSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149514 455688365 /nfs/dbraw/zinc/68/83/65/455688365.db2.gz QPIJTIIRWAIRKJ-CHWSQXEVSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149514 455688367 /nfs/dbraw/zinc/68/83/67/455688367.db2.gz QPIJTIIRWAIRKJ-CHWSQXEVSA-N 2 2 329.307 3.427 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899668 455723700 /nfs/dbraw/zinc/72/37/00/455723700.db2.gz MAQDKNMEUDAVSJ-OXQOHEQNSA-N 2 2 349.478 3.131 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899668 455723703 /nfs/dbraw/zinc/72/37/03/455723703.db2.gz MAQDKNMEUDAVSJ-OXQOHEQNSA-N 2 2 349.478 3.131 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249881225 455780537 /nfs/dbraw/zinc/78/05/37/455780537.db2.gz NNWTWLUURIPVHD-GJZGRUSLSA-N 2 2 329.448 3.302 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249881225 455780546 /nfs/dbraw/zinc/78/05/46/455780546.db2.gz NNWTWLUURIPVHD-GJZGRUSLSA-N 2 2 329.448 3.302 10 0 EGAELP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252517886 455819556 /nfs/dbraw/zinc/81/95/56/455819556.db2.gz UFSQYAYYNFJFMZ-VZHSDHNVSA-N 2 2 327.516 3.427 10 0 EGAELP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252517886 455819559 /nfs/dbraw/zinc/81/95/59/455819559.db2.gz UFSQYAYYNFJFMZ-VZHSDHNVSA-N 2 2 327.516 3.427 10 0 EGAELP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252664182 455826778 /nfs/dbraw/zinc/82/67/78/455826778.db2.gz UWTWSCSYNBLAGQ-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252664182 455826783 /nfs/dbraw/zinc/82/67/83/455826783.db2.gz UWTWSCSYNBLAGQ-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195271480 455939416 /nfs/dbraw/zinc/93/94/16/455939416.db2.gz NLBDGDXOVUWRKS-KRWDZBQOSA-N 2 2 330.863 3.084 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195271480 455939419 /nfs/dbraw/zinc/93/94/19/455939419.db2.gz NLBDGDXOVUWRKS-KRWDZBQOSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000195271480 455939426 /nfs/dbraw/zinc/93/94/26/455939426.db2.gz NLBDGDXOVUWRKS-KRWDZBQOSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000195271480 455939433 /nfs/dbraw/zinc/93/94/33/455939433.db2.gz NLBDGDXOVUWRKS-KRWDZBQOSA-N 2 2 330.863 3.084 10 0 EGAELP CC(C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCC(C)CC1 ZINC000606584013 460702439 /nfs/dbraw/zinc/70/24/39/460702439.db2.gz XIHYWVUZWDTKCT-KRWDZBQOSA-N 2 2 343.475 3.212 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262316014 456024349 /nfs/dbraw/zinc/02/43/49/456024349.db2.gz UJUZWOLWQPTDRQ-HFTRVMKXSA-N 2 2 349.906 3.063 10 0 EGAELP COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1OC(F)F ZINC000271168350 456151479 /nfs/dbraw/zinc/15/14/79/456151479.db2.gz COQBZJMWQJNXKC-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000301606241 456159814 /nfs/dbraw/zinc/15/98/14/456159814.db2.gz YOXBANMMBOIEKF-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865348 456160443 /nfs/dbraw/zinc/16/04/43/456160443.db2.gz WBZMJLMLPOCTAI-UONOGXRCSA-N 2 2 346.500 3.109 10 0 EGAELP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865348 456160448 /nfs/dbraw/zinc/16/04/48/456160448.db2.gz WBZMJLMLPOCTAI-UONOGXRCSA-N 2 2 346.500 3.109 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCC[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000263922423 456265315 /nfs/dbraw/zinc/26/53/15/456265315.db2.gz SJXDVOGOKWKVJC-UHFFFAOYSA-N 2 2 343.475 3.276 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000290216712 456269213 /nfs/dbraw/zinc/26/92/13/456269213.db2.gz QMAXHIJBMLCFOJ-IXDOHACOSA-N 2 2 342.512 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000290216712 456269216 /nfs/dbraw/zinc/26/92/16/456269216.db2.gz QMAXHIJBMLCFOJ-IXDOHACOSA-N 2 2 342.512 3.101 10 0 EGAELP CCc1ccc(C[NH+]2CCN(c3cc(CC)[nH+]c(C)n3)CC2)s1 ZINC000302028515 456271799 /nfs/dbraw/zinc/27/17/99/456271799.db2.gz AWQLXUYCQVQGAH-UHFFFAOYSA-N 2 2 330.501 3.294 10 0 EGAELP CC1=C[C@@H](C)C[C@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823510 456339596 /nfs/dbraw/zinc/33/95/96/456339596.db2.gz NPSWDTIJGVPFDC-QUCCMNQESA-N 3 2 342.531 3.176 10 0 EGAELP CCC1(CC)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[S@@]1=O ZINC000347759738 456355021 /nfs/dbraw/zinc/35/50/21/456355021.db2.gz VJYKOUMSWXXILS-QFIPXVFZSA-N 2 2 337.514 3.057 10 0 EGAELP CCC1(CC)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[S@@]1=O ZINC000347759738 456355028 /nfs/dbraw/zinc/35/50/28/456355028.db2.gz VJYKOUMSWXXILS-QFIPXVFZSA-N 2 2 337.514 3.057 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933147 456366258 /nfs/dbraw/zinc/36/62/58/456366258.db2.gz BBQRAMCHIYSHCW-AEFFLSMTSA-N 2 2 341.503 3.033 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933147 456366262 /nfs/dbraw/zinc/36/62/62/456366262.db2.gz BBQRAMCHIYSHCW-AEFFLSMTSA-N 2 2 341.503 3.033 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282135316 456422358 /nfs/dbraw/zinc/42/23/58/456422358.db2.gz RQTCACZIZRUHSR-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282135316 456422364 /nfs/dbraw/zinc/42/23/64/456422364.db2.gz RQTCACZIZRUHSR-INIZCTEOSA-N 2 2 326.444 3.003 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032874 456578732 /nfs/dbraw/zinc/57/87/32/456578732.db2.gz YRDFYWNKJBCMFL-HOTGVXAUSA-N 2 2 327.513 3.144 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032874 456578734 /nfs/dbraw/zinc/57/87/34/456578734.db2.gz YRDFYWNKJBCMFL-HOTGVXAUSA-N 2 2 327.513 3.144 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000343464939 456640472 /nfs/dbraw/zinc/64/04/72/456640472.db2.gz XJFDYCPLJKWKFP-HNAYVOBHSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000343464939 456640475 /nfs/dbraw/zinc/64/04/75/456640475.db2.gz XJFDYCPLJKWKFP-HNAYVOBHSA-N 2 2 341.455 3.312 10 0 EGAELP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655615 456670592 /nfs/dbraw/zinc/67/05/92/456670592.db2.gz YSVOHXBHSKHZEB-GDBMZVCRSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655615 456670598 /nfs/dbraw/zinc/67/05/98/456670598.db2.gz YSVOHXBHSKHZEB-GDBMZVCRSA-N 2 2 346.862 3.354 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000353597916 456792509 /nfs/dbraw/zinc/79/25/09/456792509.db2.gz QYLNXUJDVOOZRV-VQTJNVASSA-N 2 2 343.519 3.148 10 0 EGAELP C[N@H+](CCC[NH2+]Cc1cnnn1Cc1ccccc1)C1CCCCC1 ZINC000291928985 456801961 /nfs/dbraw/zinc/80/19/61/456801961.db2.gz LVVUGXWRMMXAQK-UHFFFAOYSA-N 2 2 341.503 3.071 10 0 EGAELP C[N@@H+](CCC[NH2+]Cc1cnnn1Cc1ccccc1)C1CCCCC1 ZINC000291928985 456801968 /nfs/dbraw/zinc/80/19/68/456801968.db2.gz LVVUGXWRMMXAQK-UHFFFAOYSA-N 2 2 341.503 3.071 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353631275 456816128 /nfs/dbraw/zinc/81/61/28/456816128.db2.gz KSHKJYNFJWEKSJ-RCOXNQKVSA-N 3 2 342.531 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353631275 456816133 /nfs/dbraw/zinc/81/61/33/456816133.db2.gz KSHKJYNFJWEKSJ-RCOXNQKVSA-N 3 2 342.531 3.069 10 0 EGAELP c1ccc(N2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)[nH+]c1 ZINC000345050528 456909477 /nfs/dbraw/zinc/90/94/77/456909477.db2.gz NPMJPDXJSOCWGR-UHFFFAOYSA-N 2 2 329.488 3.379 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071843 456926551 /nfs/dbraw/zinc/92/65/51/456926551.db2.gz SOXJTRAWKUFPFI-CEWLAPEOSA-N 2 2 346.515 3.101 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071843 456926553 /nfs/dbraw/zinc/92/65/53/456926553.db2.gz SOXJTRAWKUFPFI-CEWLAPEOSA-N 2 2 346.515 3.101 10 0 EGAELP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2cncnc2)c1 ZINC000349367219 456954551 /nfs/dbraw/zinc/95/45/51/456954551.db2.gz LJSCZQMGMPAWQM-UHFFFAOYSA-N 2 2 327.819 3.029 10 0 EGAELP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cncnc2)c1 ZINC000349367219 456954556 /nfs/dbraw/zinc/95/45/56/456954556.db2.gz LJSCZQMGMPAWQM-UHFFFAOYSA-N 2 2 327.819 3.029 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476249 456980434 /nfs/dbraw/zinc/98/04/34/456980434.db2.gz CRBVSAHLDKWRHZ-HZPDHXFCSA-N 2 2 330.394 3.208 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476249 456980439 /nfs/dbraw/zinc/98/04/39/456980439.db2.gz CRBVSAHLDKWRHZ-HZPDHXFCSA-N 2 2 330.394 3.208 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000358986939 457044633 /nfs/dbraw/zinc/04/46/33/457044633.db2.gz ONYSQKIFSYMEFQ-FPOVZHCZSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000358986939 457044639 /nfs/dbraw/zinc/04/46/39/457044639.db2.gz ONYSQKIFSYMEFQ-FPOVZHCZSA-N 2 2 338.499 3.442 10 0 EGAELP Clc1ccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nn2)cc1 ZINC000342365498 457258508 /nfs/dbraw/zinc/25/85/08/457258508.db2.gz FLJCNSMNCUSSQM-UHFFFAOYSA-N 2 2 342.834 3.023 10 0 EGAELP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000374230422 457534064 /nfs/dbraw/zinc/53/40/64/457534064.db2.gz NBYAYNXSHOQCPQ-GOSISDBHSA-N 2 2 341.430 3.475 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3cn4ccsc4n3)CC2)c[nH+]1 ZINC000361073513 457563812 /nfs/dbraw/zinc/56/38/12/457563812.db2.gz OTQDQOBRQFPUEV-UHFFFAOYSA-N 2 2 329.473 3.285 10 0 EGAELP C[N@H+](CC(=O)NC(C)(C)C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411151765 457816078 /nfs/dbraw/zinc/81/60/78/457816078.db2.gz CHHJAIJNGYJNNB-UHFFFAOYSA-N 2 2 331.504 3.019 10 0 EGAELP C[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411151765 457816087 /nfs/dbraw/zinc/81/60/87/457816087.db2.gz CHHJAIJNGYJNNB-UHFFFAOYSA-N 2 2 331.504 3.019 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@H](C)C1 ZINC000361805570 457872915 /nfs/dbraw/zinc/87/29/15/457872915.db2.gz VSYWVZYVVGNZLB-IAGOWNOFSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@H](C)C1 ZINC000361805570 457872922 /nfs/dbraw/zinc/87/29/22/457872922.db2.gz VSYWVZYVVGNZLB-IAGOWNOFSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000361805570 457872925 /nfs/dbraw/zinc/87/29/25/457872925.db2.gz VSYWVZYVVGNZLB-IAGOWNOFSA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000361805570 457872927 /nfs/dbraw/zinc/87/29/27/457872927.db2.gz VSYWVZYVVGNZLB-IAGOWNOFSA-N 2 2 344.503 3.098 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292371 457915910 /nfs/dbraw/zinc/91/59/10/457915910.db2.gz VQAFYNXCIXRQRR-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292371 457915914 /nfs/dbraw/zinc/91/59/14/457915914.db2.gz VQAFYNXCIXRQRR-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427888786 458047412 /nfs/dbraw/zinc/04/74/12/458047412.db2.gz DXRWHDZSQINWBM-NQIIRXRSSA-N 2 2 345.531 3.278 10 0 EGAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427888786 458047416 /nfs/dbraw/zinc/04/74/16/458047416.db2.gz DXRWHDZSQINWBM-NQIIRXRSSA-N 2 2 345.531 3.278 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000436299273 458286117 /nfs/dbraw/zinc/28/61/17/458286117.db2.gz ROJUIHGIXUQHAO-YSHGAJCASA-N 2 2 330.472 3.143 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000436299273 458286124 /nfs/dbraw/zinc/28/61/24/458286124.db2.gz ROJUIHGIXUQHAO-YSHGAJCASA-N 2 2 330.472 3.143 10 0 EGAELP C[C@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000369661134 458307430 /nfs/dbraw/zinc/30/74/30/458307430.db2.gz OZACVMMJCLVOGH-GOSISDBHSA-N 2 2 349.563 3.269 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170247 458415041 /nfs/dbraw/zinc/41/50/41/458415041.db2.gz UJWCALCMGQOJSR-HXUWFJFHSA-N 2 2 325.431 3.415 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170247 458415045 /nfs/dbraw/zinc/41/50/45/458415045.db2.gz UJWCALCMGQOJSR-HXUWFJFHSA-N 2 2 325.431 3.415 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170247 458415050 /nfs/dbraw/zinc/41/50/50/458415050.db2.gz UJWCALCMGQOJSR-HXUWFJFHSA-N 2 2 325.431 3.415 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000430170247 458415054 /nfs/dbraw/zinc/41/50/54/458415054.db2.gz UJWCALCMGQOJSR-HXUWFJFHSA-N 2 2 325.431 3.415 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000430226382 458423988 /nfs/dbraw/zinc/42/39/88/458423988.db2.gz ORIJVISTPJXGNK-RDJZCZTQSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000430226382 458423992 /nfs/dbraw/zinc/42/39/92/458423992.db2.gz ORIJVISTPJXGNK-RDJZCZTQSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000430226382 458423994 /nfs/dbraw/zinc/42/39/94/458423994.db2.gz ORIJVISTPJXGNK-RDJZCZTQSA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000430226382 458423996 /nfs/dbraw/zinc/42/39/96/458423996.db2.gz ORIJVISTPJXGNK-RDJZCZTQSA-N 2 2 340.471 3.067 10 0 EGAELP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C(F)(F)F)O1 ZINC000430221699 458424178 /nfs/dbraw/zinc/42/41/78/458424178.db2.gz RZAKPPVJQLGJLU-ZDUSSCGKSA-N 2 2 345.390 3.476 10 0 EGAELP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C(F)(F)F)O1 ZINC000430221699 458424180 /nfs/dbraw/zinc/42/41/80/458424180.db2.gz RZAKPPVJQLGJLU-ZDUSSCGKSA-N 2 2 345.390 3.476 10 0 EGAELP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459660447 458439535 /nfs/dbraw/zinc/43/95/35/458439535.db2.gz OIYREZRTZBHBOW-OXJNMPFZSA-N 3 2 326.488 3.467 10 0 EGAELP CCn1cc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373519276 458516625 /nfs/dbraw/zinc/51/66/25/458516625.db2.gz IQUGXRWHIUQTCP-JQRITLKVSA-N 2 2 344.425 3.359 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH+]4CCSCC4)CCCC3)C[C@H]2C1 ZINC000424274177 458601503 /nfs/dbraw/zinc/60/15/03/458601503.db2.gz YHENTLYQYVPCNN-USTZCAOPSA-N 2 2 338.561 3.141 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424274087 458601606 /nfs/dbraw/zinc/60/16/06/458601606.db2.gz VDZFQAQYKJNGGB-ZIAGYGMSSA-N 2 2 326.868 3.110 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H](C)C1 ZINC000424330685 458617132 /nfs/dbraw/zinc/61/71/32/458617132.db2.gz UNFQOFLZTYUJPL-MDNKFWRPSA-N 2 2 334.479 3.350 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H](C)C1 ZINC000424330685 458617138 /nfs/dbraw/zinc/61/71/38/458617138.db2.gz UNFQOFLZTYUJPL-MDNKFWRPSA-N 2 2 334.479 3.350 10 0 EGAELP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000432341160 458719358 /nfs/dbraw/zinc/71/93/58/458719358.db2.gz UHOCLHPNFKGVLO-MRXNPFEDSA-N 2 2 331.508 3.022 10 0 EGAELP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000432341160 458719365 /nfs/dbraw/zinc/71/93/65/458719365.db2.gz UHOCLHPNFKGVLO-MRXNPFEDSA-N 2 2 331.508 3.022 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215499 458720490 /nfs/dbraw/zinc/72/04/90/458720490.db2.gz GQZPCCFNESNERN-TUFLPTIASA-N 3 2 339.527 3.161 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215499 458720496 /nfs/dbraw/zinc/72/04/96/458720496.db2.gz GQZPCCFNESNERN-TUFLPTIASA-N 3 2 339.527 3.161 10 0 EGAELP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[NH+](C)C)cc1 ZINC000495027091 458786324 /nfs/dbraw/zinc/78/63/24/458786324.db2.gz KNPCWHDSNQXJRN-RBUKOAKNSA-N 2 2 345.531 3.135 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)C(C)C)c(C)c1 ZINC000441388563 458932772 /nfs/dbraw/zinc/93/27/72/458932772.db2.gz SEDCBRAFWSZRTR-MJGOQNOKSA-N 2 2 342.487 3.086 10 0 EGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467356212 458969186 /nfs/dbraw/zinc/96/91/86/458969186.db2.gz UHYYZMUOONVXDO-MHTWAQMVSA-N 2 2 330.516 3.344 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028795 /nfs/dbraw/zinc/02/87/95/459028795.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 3 2 341.543 3.359 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028800 /nfs/dbraw/zinc/02/88/00/459028800.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028803 /nfs/dbraw/zinc/02/88/03/459028803.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028807 /nfs/dbraw/zinc/02/88/07/459028807.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 3 2 341.543 3.359 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000480761578 459218182 /nfs/dbraw/zinc/21/81/82/459218182.db2.gz JKXZGKZGJUZITD-WTGUMLROSA-N 2 2 328.500 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000480761578 459218186 /nfs/dbraw/zinc/21/81/86/459218186.db2.gz JKXZGKZGJUZITD-WTGUMLROSA-N 2 2 328.500 3.300 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000568239969 459257123 /nfs/dbraw/zinc/25/71/23/459257123.db2.gz VZIZKKUFBQIKAM-UHFFFAOYSA-N 2 2 338.377 3.073 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534580974 459335692 /nfs/dbraw/zinc/33/56/92/459335692.db2.gz XJFCZLABNIADKF-HNNXBMFYSA-N 2 2 338.411 3.073 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534580974 459335696 /nfs/dbraw/zinc/33/56/96/459335696.db2.gz XJFCZLABNIADKF-HNNXBMFYSA-N 2 2 338.411 3.073 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000560521478 459364385 /nfs/dbraw/zinc/36/43/85/459364385.db2.gz RZVZJUCKEZOWTN-UWHLTILDSA-N 2 2 327.516 3.286 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000560521478 459364388 /nfs/dbraw/zinc/36/43/88/459364388.db2.gz RZVZJUCKEZOWTN-UWHLTILDSA-N 2 2 327.516 3.286 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904512 459449028 /nfs/dbraw/zinc/44/90/28/459449028.db2.gz WQHNUWRVVNFOLK-FQEVSTJZSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904512 459449033 /nfs/dbraw/zinc/44/90/33/459449033.db2.gz WQHNUWRVVNFOLK-FQEVSTJZSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904512 459449037 /nfs/dbraw/zinc/44/90/37/459449037.db2.gz WQHNUWRVVNFOLK-FQEVSTJZSA-N 2 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)CC23CC3)cc1 ZINC000582904512 459449039 /nfs/dbraw/zinc/44/90/39/459449039.db2.gz WQHNUWRVVNFOLK-FQEVSTJZSA-N 2 2 339.527 3.400 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866837 459458228 /nfs/dbraw/zinc/45/82/28/459458228.db2.gz GZPYUHQOWQTBBG-QGZVFWFLSA-N 2 2 338.411 3.384 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866837 459458230 /nfs/dbraw/zinc/45/82/30/459458230.db2.gz GZPYUHQOWQTBBG-QGZVFWFLSA-N 2 2 338.411 3.384 10 0 EGAELP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592403960 459594414 /nfs/dbraw/zinc/59/44/14/459594414.db2.gz SIBZNVHSDXZNGH-OLMNPRSZSA-N 2 2 342.439 3.062 10 0 EGAELP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592403960 459594418 /nfs/dbraw/zinc/59/44/18/459594418.db2.gz SIBZNVHSDXZNGH-OLMNPRSZSA-N 2 2 342.439 3.062 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995869 459689546 /nfs/dbraw/zinc/68/95/46/459689546.db2.gz GWLIHAFOVKRNLY-HOTGVXAUSA-N 2 2 341.377 3.144 10 0 EGAELP CCc1[nH+]c2cc(C[NH2+][C@H]3CCC(=O)NC3(C)C)ccc2n1C1CC1 ZINC000573541567 459693992 /nfs/dbraw/zinc/69/39/92/459693992.db2.gz LEYLTWPCAKZTKB-KRWDZBQOSA-N 2 2 340.471 3.080 10 0 EGAELP CSC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000596654452 459715903 /nfs/dbraw/zinc/71/59/03/459715903.db2.gz OYZYIFPLTMTZED-WPBUFGDCSA-N 2 2 330.419 3.451 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccn(C)n1 ZINC000544580833 459770221 /nfs/dbraw/zinc/77/02/21/459770221.db2.gz BILIVPIADUFGOY-IBGZPJMESA-N 2 2 326.488 3.168 10 0 EGAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006905 459794839 /nfs/dbraw/zinc/79/48/39/459794839.db2.gz AIHXWHSRXIWJEK-RDJZCZTQSA-N 2 2 326.488 3.491 10 0 EGAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006905 459794843 /nfs/dbraw/zinc/79/48/43/459794843.db2.gz AIHXWHSRXIWJEK-RDJZCZTQSA-N 2 2 326.488 3.491 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528010122 459796130 /nfs/dbraw/zinc/79/61/30/459796130.db2.gz IPCGHATYVLTVEA-QFBILLFUSA-N 2 2 332.488 3.379 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528010122 459796133 /nfs/dbraw/zinc/79/61/33/459796133.db2.gz IPCGHATYVLTVEA-QFBILLFUSA-N 2 2 332.488 3.379 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625268580 460100117 /nfs/dbraw/zinc/10/01/17/460100117.db2.gz PSKQAVLYYIOPCJ-CYBMUJFWSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625268580 460100121 /nfs/dbraw/zinc/10/01/21/460100121.db2.gz PSKQAVLYYIOPCJ-CYBMUJFWSA-N 2 2 326.375 3.204 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCSCc2ccccc2)CC1 ZINC000599621491 460288952 /nfs/dbraw/zinc/28/89/52/460288952.db2.gz CMMZSWZFRLPFLC-UHFFFAOYSA-N 2 2 334.529 3.107 10 0 EGAELP CN(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000625982975 460325874 /nfs/dbraw/zinc/32/58/74/460325874.db2.gz AHLSIURSAGEYSE-HNNXBMFYSA-N 2 2 327.259 3.082 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCc2ccccc2OC)CC1 ZINC000626088802 460365940 /nfs/dbraw/zinc/36/59/40/460365940.db2.gz OAWDFLOSOSPXSY-UHFFFAOYSA-N 2 2 346.515 3.205 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000611442092 460366542 /nfs/dbraw/zinc/36/65/42/460366542.db2.gz PJFHJIITRVJWGC-LJQANCHMSA-N 2 2 349.434 3.280 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000628476012 460431152 /nfs/dbraw/zinc/43/11/52/460431152.db2.gz VXXSXNSSEXERHO-AEFFLSMTSA-N 2 2 332.488 3.480 10 0 EGAELP C[C@@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628773038 460539146 /nfs/dbraw/zinc/53/91/46/460539146.db2.gz JNYLRZZYZMURBH-QDEZUTFSSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628773038 460539151 /nfs/dbraw/zinc/53/91/51/460539151.db2.gz JNYLRZZYZMURBH-QDEZUTFSSA-N 2 2 344.434 3.016 10 0 EGAELP c1ccc(S[C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000631739433 460539614 /nfs/dbraw/zinc/53/96/14/460539614.db2.gz QEZQQXBCHCPDOR-ZHALLVOQSA-N 2 2 332.513 3.153 10 0 EGAELP C[C@@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000628772742 460539640 /nfs/dbraw/zinc/53/96/40/460539640.db2.gz IJKLBHQDZFUXBW-YOEHRIQHSA-N 2 2 344.434 3.019 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C[NH2+]1 ZINC000629411923 460749646 /nfs/dbraw/zinc/74/96/46/460749646.db2.gz IULWCPVFJGKLBS-ONGXEEELSA-N 2 2 349.219 3.281 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000623870715 460753917 /nfs/dbraw/zinc/75/39/17/460753917.db2.gz KIMGALHNMWVMAQ-ZYHUDNBSSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000623870715 460753924 /nfs/dbraw/zinc/75/39/24/460753924.db2.gz KIMGALHNMWVMAQ-ZYHUDNBSSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000623874016 460756942 /nfs/dbraw/zinc/75/69/42/460756942.db2.gz YXKNXWLRBOEYPM-PWSUYJOCSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000623874016 460756947 /nfs/dbraw/zinc/75/69/47/460756947.db2.gz YXKNXWLRBOEYPM-PWSUYJOCSA-N 2 2 335.801 3.369 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623992946 460814938 /nfs/dbraw/zinc/81/49/38/460814938.db2.gz DTLATSJJKSUTSX-UHFFFAOYSA-N 2 2 348.454 3.461 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1OCc1ccccc1 ZINC000629672618 460859648 /nfs/dbraw/zinc/85/96/48/460859648.db2.gz PXCZBXFKQNAXMG-MAUKXSAKSA-N 2 2 326.440 3.114 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313852 461032997 /nfs/dbraw/zinc/03/29/97/461032997.db2.gz OVHURUREDYGUOD-SFHVURJKSA-N 2 2 349.438 3.073 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313852 461032999 /nfs/dbraw/zinc/03/29/99/461032999.db2.gz OVHURUREDYGUOD-SFHVURJKSA-N 2 2 349.438 3.073 10 0 EGAELP COCc1cc[nH+]c(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000652330858 461132543 /nfs/dbraw/zinc/13/25/43/461132543.db2.gz QWKNPJVEKRYURF-OAHLLOKOSA-N 2 2 329.444 3.342 10 0 EGAELP COCC[NH2+]C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000652344499 461140631 /nfs/dbraw/zinc/14/06/31/461140631.db2.gz LNWQUVOPZZUYPG-CYBMUJFWSA-N 2 2 341.293 3.211 10 0 EGAELP Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668243280 461202900 /nfs/dbraw/zinc/20/29/00/461202900.db2.gz XZXVZGZPEVKDAC-IBGZPJMESA-N 2 2 349.438 3.014 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000642091696 461444036 /nfs/dbraw/zinc/44/40/36/461444036.db2.gz RHTINPIPVIHVBW-STQMWFEESA-N 2 2 325.391 3.289 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000642091696 461444041 /nfs/dbraw/zinc/44/40/41/461444041.db2.gz RHTINPIPVIHVBW-STQMWFEESA-N 2 2 325.391 3.289 10 0 EGAELP Fc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000659883389 461480327 /nfs/dbraw/zinc/48/03/27/461480327.db2.gz SHSHILWHKDJQGC-CYBMUJFWSA-N 2 2 325.334 3.461 10 0 EGAELP Fc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000659883389 461480332 /nfs/dbraw/zinc/48/03/32/461480332.db2.gz SHSHILWHKDJQGC-CYBMUJFWSA-N 2 2 325.334 3.461 10 0 EGAELP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653105284 461503680 /nfs/dbraw/zinc/50/36/80/461503680.db2.gz PFGCRDSQKFICLI-HOTGVXAUSA-N 2 2 338.455 3.232 10 0 EGAELP COc1cncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000631084458 461533978 /nfs/dbraw/zinc/53/39/78/461533978.db2.gz NRLMCHKKWBNYGC-SFHVURJKSA-N 2 2 336.439 3.206 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000631084872 461535300 /nfs/dbraw/zinc/53/53/00/461535300.db2.gz POICJDDFXUHQRR-LJQANCHMSA-N 2 2 349.482 3.106 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000653179882 461542771 /nfs/dbraw/zinc/54/27/71/461542771.db2.gz WSZJSWTVGRJEBX-KRWDZBQOSA-N 2 2 330.476 3.489 10 0 EGAELP CCc1nocc1C[N@H+](C)[C@@H]1CCC[NH+](Cc2conc2CC)CC1 ZINC000660124798 461596930 /nfs/dbraw/zinc/59/69/30/461596930.db2.gz KMPMUGLODHSJCH-QGZVFWFLSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2conc2CC)CC1 ZINC000660124798 461596941 /nfs/dbraw/zinc/59/69/41/461596941.db2.gz KMPMUGLODHSJCH-QGZVFWFLSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[NH+](C)[C@@H]1CCC[N@H+](Cc2conc2CC)CC1 ZINC000660124798 461596953 /nfs/dbraw/zinc/59/69/53/461596953.db2.gz KMPMUGLODHSJCH-QGZVFWFLSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2conc2CC)CC1 ZINC000660124798 461596962 /nfs/dbraw/zinc/59/69/62/461596962.db2.gz KMPMUGLODHSJCH-QGZVFWFLSA-N 2 2 346.475 3.274 10 0 EGAELP COc1c(C)[nH+]cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000656125109 461608472 /nfs/dbraw/zinc/60/84/72/461608472.db2.gz VZNSMLFZDJNIRV-AYHJJNSGSA-N 2 2 338.455 3.401 10 0 EGAELP COc1c(C)[nH+]cnc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000656125109 461608480 /nfs/dbraw/zinc/60/84/80/461608480.db2.gz VZNSMLFZDJNIRV-AYHJJNSGSA-N 2 2 338.455 3.401 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cn21 ZINC000647364378 461658460 /nfs/dbraw/zinc/65/84/60/461658460.db2.gz ZBSVBHJGIFSEOD-QXAKKESOSA-N 2 2 327.472 3.370 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NCC2([NH+]3CCCC3)CCOCC2)[nH+]1 ZINC000663547912 461700350 /nfs/dbraw/zinc/70/03/50/461700350.db2.gz XSYCLVNQGSWFLT-UHFFFAOYSA-N 2 2 343.393 3.466 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480333 461726541 /nfs/dbraw/zinc/72/65/41/461726541.db2.gz JXOGCWBXDKJJLI-BLLLJJGKSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480333 461726546 /nfs/dbraw/zinc/72/65/46/461726546.db2.gz JXOGCWBXDKJJLI-BLLLJJGKSA-N 2 2 339.277 3.119 10 0 EGAELP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480369 461726961 /nfs/dbraw/zinc/72/69/61/461726961.db2.gz KTUAESFGIDRTLA-IRXDYDNUSA-N 2 2 326.488 3.410 10 0 EGAELP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480369 461726968 /nfs/dbraw/zinc/72/69/68/461726968.db2.gz KTUAESFGIDRTLA-IRXDYDNUSA-N 2 2 326.488 3.410 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401274 461734649 /nfs/dbraw/zinc/73/46/49/461734649.db2.gz CJEWUDYKUFJKOD-NBYUQASBSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401274 461734652 /nfs/dbraw/zinc/73/46/52/461734652.db2.gz CJEWUDYKUFJKOD-NBYUQASBSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401274 461734656 /nfs/dbraw/zinc/73/46/56/461734656.db2.gz CJEWUDYKUFJKOD-NBYUQASBSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656401274 461734661 /nfs/dbraw/zinc/73/46/61/461734661.db2.gz CJEWUDYKUFJKOD-NBYUQASBSA-N 2 2 339.508 3.486 10 0 EGAELP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000643525871 461752183 /nfs/dbraw/zinc/75/21/83/461752183.db2.gz GCXBFXOUXNISAK-YUMQZZPRSA-N 2 2 336.071 3.209 10 0 EGAELP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1Cl ZINC000660453450 461788722 /nfs/dbraw/zinc/78/87/22/461788722.db2.gz NHHPKJFMAXRZFY-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CCN(c3c[nH+]ccc3C)CC2)[nH+]1 ZINC000663872877 461849631 /nfs/dbraw/zinc/84/96/31/461849631.db2.gz RJRBONCRIIMZOM-UHFFFAOYSA-N 2 2 336.361 3.439 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnn(C(C)C)c2)cc1 ZINC000656789935 461899264 /nfs/dbraw/zinc/89/92/64/461899264.db2.gz DPRJILVIFBTAAJ-PMACEKPBSA-N 2 2 342.487 3.098 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sccc2OC)cc1 ZINC000656790245 461900118 /nfs/dbraw/zinc/90/01/18/461900118.db2.gz LUMAAKWFTUVPJR-IRXDYDNUSA-N 2 2 346.496 3.391 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccsc2)cc1 ZINC000656790471 461901790 /nfs/dbraw/zinc/90/17/90/461901790.db2.gz URYLPGNGIQESBQ-CCKFTAQKSA-N 2 2 330.497 3.423 10 0 EGAELP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2coc(C)n2)CC1 ZINC000647970569 461914179 /nfs/dbraw/zinc/91/41/79/461914179.db2.gz YBRQNZPSVVAGLW-AWEZNQCLSA-N 2 2 346.450 3.115 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010175 461939674 /nfs/dbraw/zinc/93/96/74/461939674.db2.gz OBAQAMXXFPEWIZ-MJGOQNOKSA-N 2 2 326.488 3.485 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010175 461939679 /nfs/dbraw/zinc/93/96/79/461939679.db2.gz OBAQAMXXFPEWIZ-MJGOQNOKSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010175 461939684 /nfs/dbraw/zinc/93/96/84/461939684.db2.gz OBAQAMXXFPEWIZ-MJGOQNOKSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010175 461939687 /nfs/dbraw/zinc/93/96/87/461939687.db2.gz OBAQAMXXFPEWIZ-MJGOQNOKSA-N 2 2 326.488 3.485 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534846 462170953 /nfs/dbraw/zinc/17/09/53/462170953.db2.gz UNOGBIMOPWHUEG-UZLBHIALSA-N 2 2 335.451 3.480 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534846 462170955 /nfs/dbraw/zinc/17/09/55/462170955.db2.gz UNOGBIMOPWHUEG-UZLBHIALSA-N 2 2 335.451 3.480 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000657672989 462224691 /nfs/dbraw/zinc/22/46/91/462224691.db2.gz GLEXPNPSTSGICM-DOTOQJQBSA-N 2 2 343.446 3.372 10 0 EGAELP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1F ZINC000657672989 462224697 /nfs/dbraw/zinc/22/46/97/462224697.db2.gz GLEXPNPSTSGICM-DOTOQJQBSA-N 2 2 343.446 3.372 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(OC)c1 ZINC000667769787 462253601 /nfs/dbraw/zinc/25/36/01/462253601.db2.gz GSCXIKXVTKAEFY-MISYRCLQSA-N 2 2 332.488 3.235 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CCC(F)(F)F)CC3)[C@H]21 ZINC000657788594 462265517 /nfs/dbraw/zinc/26/55/17/462265517.db2.gz JVIFJQHYFYZQSU-BBWFWOEESA-N 2 2 342.380 3.470 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699231 462307789 /nfs/dbraw/zinc/30/77/89/462307789.db2.gz LVCHORYXBSXIIP-ZFWWWQNUSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699231 462307794 /nfs/dbraw/zinc/30/77/94/462307794.db2.gz LVCHORYXBSXIIP-ZFWWWQNUSA-N 2 2 326.843 3.167 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000658054321 462358971 /nfs/dbraw/zinc/35/89/71/462358971.db2.gz DIUXNKSOXXQRDC-DLBZAZTESA-N 2 2 331.504 3.483 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000658054321 462358977 /nfs/dbraw/zinc/35/89/77/462358977.db2.gz DIUXNKSOXXQRDC-DLBZAZTESA-N 2 2 331.504 3.483 10 0 EGAELP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000667996231 462367000 /nfs/dbraw/zinc/36/70/00/462367000.db2.gz IHOVPHPMMCVETJ-SFHVURJKSA-N 2 2 338.411 3.344 10 0 EGAELP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000667996231 462367005 /nfs/dbraw/zinc/36/70/05/462367005.db2.gz IHOVPHPMMCVETJ-SFHVURJKSA-N 2 2 338.411 3.344 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661704045 462373965 /nfs/dbraw/zinc/37/39/65/462373965.db2.gz NIPOKUGWUCKQAD-FXAWDEMLSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661704045 462373970 /nfs/dbraw/zinc/37/39/70/462373970.db2.gz NIPOKUGWUCKQAD-FXAWDEMLSA-N 2 2 327.472 3.483 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccoc2)cc1F ZINC000665260125 462374789 /nfs/dbraw/zinc/37/47/89/462374789.db2.gz XSYIUGPHKOHJKY-SKDZVZGDSA-N 2 2 332.419 3.094 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665278210 462381029 /nfs/dbraw/zinc/38/10/29/462381029.db2.gz YGRGHLNDPHEUNO-WMEQCIOUSA-N 2 2 337.261 3.004 10 0 EGAELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000665278067 462381179 /nfs/dbraw/zinc/38/11/79/462381179.db2.gz UNHVUUBTKFCGIV-RDFYBTABSA-N 2 2 348.462 3.176 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277340 462382023 /nfs/dbraw/zinc/38/20/23/462382023.db2.gz ZHHUWMQJGAIVRC-IHPCNDPISA-N 3 2 327.516 3.019 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277340 462382027 /nfs/dbraw/zinc/38/20/27/462382027.db2.gz ZHHUWMQJGAIVRC-IHPCNDPISA-N 3 2 327.516 3.019 10 0 EGAELP c1ccc(N2CCC([NH2+]CCc3nsc4ccccc34)CC2)[nH+]c1 ZINC000658319101 462475621 /nfs/dbraw/zinc/47/56/21/462475621.db2.gz XDFKCXVQGVKIIA-UHFFFAOYSA-N 2 2 338.480 3.492 10 0 EGAELP C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661979314 462492855 /nfs/dbraw/zinc/49/28/55/462492855.db2.gz WNANFRUVFZHZML-SFHVURJKSA-N 2 2 344.499 3.052 10 0 EGAELP C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661979314 462492858 /nfs/dbraw/zinc/49/28/58/462492858.db2.gz WNANFRUVFZHZML-SFHVURJKSA-N 2 2 344.499 3.052 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464482 534958704 /nfs/dbraw/zinc/95/87/04/534958704.db2.gz QJDMFSTWPABCEC-BEFAXECRSA-N 2 2 328.435 3.027 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464482 534958706 /nfs/dbraw/zinc/95/87/06/534958706.db2.gz QJDMFSTWPABCEC-BEFAXECRSA-N 2 2 328.435 3.027 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672945 546540021 /nfs/dbraw/zinc/54/00/21/546540021.db2.gz WBPAWCVLDDYHKE-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672945 546540024 /nfs/dbraw/zinc/54/00/24/546540024.db2.gz WBPAWCVLDDYHKE-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768183 546686368 /nfs/dbraw/zinc/68/63/68/546686368.db2.gz LOTCBVUJMPVBGH-LJQANCHMSA-N 2 2 346.496 3.262 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768183 546686374 /nfs/dbraw/zinc/68/63/74/546686374.db2.gz LOTCBVUJMPVBGH-LJQANCHMSA-N 2 2 346.496 3.262 10 0 EGAELP Fc1ccc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC000125240266 546750886 /nfs/dbraw/zinc/75/08/86/546750886.db2.gz CTOJGNCSMWOGLG-UHFFFAOYSA-N 2 2 338.386 3.198 10 0 EGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)c[nH+]1 ZINC000177101532 547023646 /nfs/dbraw/zinc/02/36/46/547023646.db2.gz SDHKBKYSYXYFBM-OAHLLOKOSA-N 2 2 325.441 3.066 10 0 EGAELP c1cn(C[C@H]2CCC[N@H+]2Cc2csc(-c3ccccn3)n2)c[nH+]1 ZINC000177101532 547023649 /nfs/dbraw/zinc/02/36/49/547023649.db2.gz SDHKBKYSYXYFBM-OAHLLOKOSA-N 2 2 325.441 3.066 10 0 EGAELP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361026094 547760908 /nfs/dbraw/zinc/76/09/08/547760908.db2.gz HMEJRVXPEKBZGQ-IAGOWNOFSA-N 2 2 334.508 3.107 10 0 EGAELP CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000672615277 548453466 /nfs/dbraw/zinc/45/34/66/548453466.db2.gz GXMIXAQQPMEOKA-RTWAWAEBSA-N 2 2 338.495 3.233 10 0 EGAELP CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000672615277 548453469 /nfs/dbraw/zinc/45/34/69/548453469.db2.gz GXMIXAQQPMEOKA-RTWAWAEBSA-N 2 2 338.495 3.233 10 0 EGAELP C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672668942 548460045 /nfs/dbraw/zinc/46/00/45/548460045.db2.gz WZPNTWCBKZBMCI-KDOFPFPSSA-N 2 2 337.427 3.147 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714641 548602685 /nfs/dbraw/zinc/60/26/85/548602685.db2.gz FEVBQJWZHFDJOI-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714641 548602689 /nfs/dbraw/zinc/60/26/89/548602689.db2.gz FEVBQJWZHFDJOI-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714641 548602693 /nfs/dbraw/zinc/60/26/93/548602693.db2.gz FEVBQJWZHFDJOI-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714641 548602696 /nfs/dbraw/zinc/60/26/96/548602696.db2.gz FEVBQJWZHFDJOI-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP COc1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[nH+]c1 ZINC000678360981 549476039 /nfs/dbraw/zinc/47/60/39/549476039.db2.gz WQYMPTACIFVMRR-UHFFFAOYSA-N 2 2 346.862 3.108 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000678784315 549560618 /nfs/dbraw/zinc/56/06/18/549560618.db2.gz SNHGPPLADROGLC-IBGZPJMESA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000678784315 549560622 /nfs/dbraw/zinc/56/06/22/549560622.db2.gz SNHGPPLADROGLC-IBGZPJMESA-N 2 2 344.886 3.412 10 0 EGAELP Fc1ccc([C@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2[nH]cc[nH+]2)cc1 ZINC000682140011 550076744 /nfs/dbraw/zinc/07/67/44/550076744.db2.gz ZDVRYBOHFUZYRV-KRWDZBQOSA-N 2 2 334.358 3.331 10 0 EGAELP CC1(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CCC1 ZINC000683436090 550228916 /nfs/dbraw/zinc/22/89/16/550228916.db2.gz YKLYDBPZVJODJH-UHFFFAOYSA-N 2 2 328.460 3.040 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)[nH+]c12 ZINC000684928177 550385441 /nfs/dbraw/zinc/38/54/41/550385441.db2.gz SXJDIYZSVXCDEQ-KZNAEPCWSA-N 2 2 327.472 3.370 10 0 EGAELP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685998 574766379 /nfs/dbraw/zinc/76/63/79/574766379.db2.gz KYOCREQBYITJCJ-IBGZPJMESA-N 2 2 337.552 3.271 10 0 EGAELP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685998 574766381 /nfs/dbraw/zinc/76/63/81/574766381.db2.gz KYOCREQBYITJCJ-IBGZPJMESA-N 2 2 337.552 3.271 10 0 EGAELP Cn1c2ccccc2n(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1=S ZINC000738071948 576284945 /nfs/dbraw/zinc/28/49/45/576284945.db2.gz SWVDZYWISQOTQI-UHFFFAOYSA-N 2 2 344.528 3.475 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000045653512 1291513577 /nfs/dbraw/zinc/51/35/77/1291513577.db2.gz UQDWAQPOCYBYAP-XJKSGUPXSA-N 2 2 325.294 3.452 10 0 EGAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000045653512 1291513582 /nfs/dbraw/zinc/51/35/82/1291513582.db2.gz UQDWAQPOCYBYAP-XJKSGUPXSA-N 2 2 325.294 3.452 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000066350119 1292113190 /nfs/dbraw/zinc/11/31/90/1292113190.db2.gz HYXLNKUFSOGPFC-UHFFFAOYSA-N 2 2 325.456 3.235 10 0 EGAELP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000096081100 1292948884 /nfs/dbraw/zinc/94/88/84/1292948884.db2.gz ONNALGISAXGXMD-RTBURBONSA-N 2 2 340.442 3.398 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934856 1296375394 /nfs/dbraw/zinc/37/53/94/1296375394.db2.gz HIBFWRQXGZPJEW-QFBILLFUSA-N 2 2 328.435 3.063 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934856 1296375410 /nfs/dbraw/zinc/37/54/10/1296375410.db2.gz HIBFWRQXGZPJEW-QFBILLFUSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934856 1296375418 /nfs/dbraw/zinc/37/54/18/1296375418.db2.gz HIBFWRQXGZPJEW-QFBILLFUSA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000246934856 1296375433 /nfs/dbraw/zinc/37/54/33/1296375433.db2.gz HIBFWRQXGZPJEW-QFBILLFUSA-N 2 2 328.435 3.063 10 0 EGAELP c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000872025781 1296672717 /nfs/dbraw/zinc/67/27/17/1296672717.db2.gz SUVOGHPDFILLBG-FQEVSTJZSA-N 2 2 344.499 3.100 10 0 EGAELP CC(C)(C)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307549557 1297066520 /nfs/dbraw/zinc/06/65/20/1297066520.db2.gz PUWPEEJPPNEIBT-HXUWFJFHSA-N 2 2 326.484 3.438 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310066042 1297087425 /nfs/dbraw/zinc/08/74/25/1297087425.db2.gz BLGWECMGPUAZHJ-HXUWFJFHSA-N 3 2 329.532 3.361 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310066042 1297087442 /nfs/dbraw/zinc/08/74/42/1297087442.db2.gz BLGWECMGPUAZHJ-HXUWFJFHSA-N 3 2 329.532 3.361 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000877056148 1299135919 /nfs/dbraw/zinc/13/59/19/1299135919.db2.gz ZQOAXYLLDMCCEA-GUYCJALGSA-N 2 2 349.475 3.464 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000877056148 1299135925 /nfs/dbraw/zinc/13/59/25/1299135925.db2.gz ZQOAXYLLDMCCEA-GUYCJALGSA-N 2 2 349.475 3.464 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551355 1300071258 /nfs/dbraw/zinc/07/12/58/1300071258.db2.gz AYJOKQFMDLDRET-HBMCJLEFSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551355 1300071272 /nfs/dbraw/zinc/07/12/72/1300071272.db2.gz AYJOKQFMDLDRET-HBMCJLEFSA-N 2 2 344.499 3.093 10 0 EGAELP c1cn(C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)c2ccccc2)c[nH+]1 ZINC000883386216 1302425917 /nfs/dbraw/zinc/42/59/17/1302425917.db2.gz BTIGBCXMRBHLTF-TZIWHRDSSA-N 2 2 332.451 3.493 10 0 EGAELP COc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1OC ZINC000894086397 1306210343 /nfs/dbraw/zinc/21/03/43/1306210343.db2.gz FJVYUWXPHOCILR-KRWDZBQOSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1OC ZINC000894086397 1306210351 /nfs/dbraw/zinc/21/03/51/1306210351.db2.gz FJVYUWXPHOCILR-KRWDZBQOSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1OC ZINC000894086397 1306210359 /nfs/dbraw/zinc/21/03/59/1306210359.db2.gz FJVYUWXPHOCILR-KRWDZBQOSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1OC ZINC000894086397 1306210369 /nfs/dbraw/zinc/21/03/69/1306210369.db2.gz FJVYUWXPHOCILR-KRWDZBQOSA-N 2 2 332.488 3.176 10 0 EGAELP CCOc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC000895111467 1309195108 /nfs/dbraw/zinc/19/51/08/1309195108.db2.gz GCBJVWKHKYMKGD-QAQDUYKDSA-N 2 2 341.455 3.462 10 0 EGAELP COC[C@H](Cc1ccccc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110611 1309195196 /nfs/dbraw/zinc/19/51/96/1309195196.db2.gz QWFMZTFSGDRMAW-UFYCRDLUSA-N 2 2 339.483 3.416 10 0 EGAELP COc1c(C)c[nH+]c(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC000895112703 1309196088 /nfs/dbraw/zinc/19/60/88/1309196088.db2.gz DFZVYOMOJWGQSN-QAQDUYKDSA-N 2 2 340.471 3.379 10 0 EGAELP COC(=O)C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1C ZINC000895113189 1309196930 /nfs/dbraw/zinc/19/69/30/1309196930.db2.gz UWSSVQYGINKFQB-CWQOZTLDSA-N 2 2 345.487 3.136 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250527 1310245326 /nfs/dbraw/zinc/24/53/26/1310245326.db2.gz JQBPHMFJZRCDFS-ULQDDVLXSA-N 2 2 349.906 3.074 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250527 1310245334 /nfs/dbraw/zinc/24/53/34/1310245334.db2.gz JQBPHMFJZRCDFS-ULQDDVLXSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250527 1310245343 /nfs/dbraw/zinc/24/53/43/1310245343.db2.gz JQBPHMFJZRCDFS-ULQDDVLXSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250527 1310245352 /nfs/dbraw/zinc/24/53/52/1310245352.db2.gz JQBPHMFJZRCDFS-ULQDDVLXSA-N 2 2 349.906 3.074 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000929990952 1328758447 /nfs/dbraw/zinc/75/84/47/1328758447.db2.gz DCLMGGBCFOUWJJ-HNNXBMFYSA-N 2 2 348.491 3.379 10 0 EGAELP CC(C)(C)OC(=O)N(CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000929990952 1328758449 /nfs/dbraw/zinc/75/84/49/1328758449.db2.gz DCLMGGBCFOUWJJ-HNNXBMFYSA-N 2 2 348.491 3.379 10 0 EGAELP Cn1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1Cl ZINC000859116946 1328926205 /nfs/dbraw/zinc/92/62/05/1328926205.db2.gz OISUVJODVCZMFJ-UHFFFAOYSA-N 2 2 346.906 3.418 10 0 EGAELP Cn1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1Cl ZINC000859116946 1328926207 /nfs/dbraw/zinc/92/62/07/1328926207.db2.gz OISUVJODVCZMFJ-UHFFFAOYSA-N 2 2 346.906 3.418 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+]Cc2nccc3c2CCCC3)c[nH+]1 ZINC000921518319 1322337498 /nfs/dbraw/zinc/33/74/98/1322337498.db2.gz SWZKIYRBWBHWQQ-UHFFFAOYSA-N 2 2 332.451 3.495 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924647627 1323092167 /nfs/dbraw/zinc/09/21/67/1323092167.db2.gz GDVATKWJAOWLHT-NHYWBVRUSA-N 2 2 335.249 3.096 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c[nH+]1 ZINC000924625142 1323081851 /nfs/dbraw/zinc/08/18/51/1323081851.db2.gz NODHOSUGLGXFTO-PMACEKPBSA-N 2 2 325.456 3.226 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924647626 1323092488 /nfs/dbraw/zinc/09/24/88/1323092488.db2.gz GDVATKWJAOWLHT-IAQYHMDHSA-N 2 2 335.249 3.096 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924659197 1323098922 /nfs/dbraw/zinc/09/89/22/1323098922.db2.gz CVWANLZHLHAJTG-DMUMMCEESA-N 2 2 332.536 3.292 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924659197 1323098927 /nfs/dbraw/zinc/09/89/27/1323098927.db2.gz CVWANLZHLHAJTG-DMUMMCEESA-N 2 2 332.536 3.292 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000925076942 1323268536 /nfs/dbraw/zinc/26/85/36/1323268536.db2.gz BDULLMXMZWFEID-BZSNNMDCSA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000925076942 1323268545 /nfs/dbraw/zinc/26/85/45/1323268545.db2.gz BDULLMXMZWFEID-BZSNNMDCSA-N 2 2 348.535 3.007 10 0 EGAELP C[C@H]1CC2(CC([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)C2)CO1 ZINC000925181225 1325073709 /nfs/dbraw/zinc/07/37/09/1325073709.db2.gz VLQRHSLBGFCISC-VHJHTJHASA-N 2 2 325.456 3.251 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925585232 1325220828 /nfs/dbraw/zinc/22/08/28/1325220828.db2.gz GTSYIWRHSABYLC-AQNXPRMDSA-N 2 2 330.516 3.395 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925585232 1325220831 /nfs/dbraw/zinc/22/08/31/1325220831.db2.gz GTSYIWRHSABYLC-AQNXPRMDSA-N 2 2 330.516 3.395 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000925590908 1325224018 /nfs/dbraw/zinc/22/40/18/1325224018.db2.gz LUZFGKRLFXFMAW-HRAATJIYSA-N 2 2 343.515 3.402 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925858921 1325334656 /nfs/dbraw/zinc/33/46/56/1325334656.db2.gz PCMCZABXNAQOTA-CZUORRHYSA-N 2 2 338.377 3.207 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)n(C)n1 ZINC000926764026 1327705021 /nfs/dbraw/zinc/70/50/21/1327705021.db2.gz ZPHJWXFDOULRQL-QRFRQXIXSA-N 2 2 330.520 3.046 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)n(C)n1 ZINC000926764026 1327705027 /nfs/dbraw/zinc/70/50/27/1327705027.db2.gz ZPHJWXFDOULRQL-QRFRQXIXSA-N 2 2 330.520 3.046 10 0 EGAELP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957462 1327796697 /nfs/dbraw/zinc/79/66/97/1327796697.db2.gz IEZMEAFIQNNVMC-UYAOXDASSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957462 1327796707 /nfs/dbraw/zinc/79/67/07/1327796707.db2.gz IEZMEAFIQNNVMC-UYAOXDASSA-N 2 2 346.515 3.072 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCSC2)CCOCC1 ZINC000926961238 1327799004 /nfs/dbraw/zinc/79/90/04/1327799004.db2.gz XPPYDVLUCMLCOD-SFHVURJKSA-N 2 2 334.529 3.153 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCSC2)CCOCC1 ZINC000926961238 1327799011 /nfs/dbraw/zinc/79/90/11/1327799011.db2.gz XPPYDVLUCMLCOD-SFHVURJKSA-N 2 2 334.529 3.153 10 0 EGAELP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863547677 1329562174 /nfs/dbraw/zinc/56/21/74/1329562174.db2.gz RJFOAMPXPVGTBT-TXPKVOOTSA-N 3 2 333.520 3.328 10 0 EGAELP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC(F)(F)F ZINC000865411856 1329693314 /nfs/dbraw/zinc/69/33/14/1329693314.db2.gz IGLRKMSILFWPRD-NSHDSACASA-N 2 2 332.341 3.298 10 0 EGAELP Fc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC(F)(F)F ZINC000865411856 1329693316 /nfs/dbraw/zinc/69/33/16/1329693316.db2.gz IGLRKMSILFWPRD-NSHDSACASA-N 2 2 332.341 3.298 10 0 EGAELP CC(=O)NCC1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000865461757 1329700573 /nfs/dbraw/zinc/70/05/73/1329700573.db2.gz AKYKZWMXSDNUBZ-VQSBYGRUSA-N 2 2 345.531 3.400 10 0 EGAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000866146568 1330070434 /nfs/dbraw/zinc/07/04/34/1330070434.db2.gz LCOVKQXKMDQTOE-IBGZPJMESA-N 2 2 338.455 3.056 10 0 EGAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000866146568 1330070436 /nfs/dbraw/zinc/07/04/36/1330070436.db2.gz LCOVKQXKMDQTOE-IBGZPJMESA-N 2 2 338.455 3.056 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412630 1330108780 /nfs/dbraw/zinc/10/87/80/1330108780.db2.gz LGRPGAVOVSPPDC-CJNGLKHVSA-N 2 2 344.421 3.071 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412630 1330108782 /nfs/dbraw/zinc/10/87/82/1330108782.db2.gz LGRPGAVOVSPPDC-CJNGLKHVSA-N 2 2 344.421 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561702 1330127018 /nfs/dbraw/zinc/12/70/18/1330127018.db2.gz JXJJXQIOCNCLGB-AZUAARDMSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561702 1330127020 /nfs/dbraw/zinc/12/70/20/1330127020.db2.gz JXJJXQIOCNCLGB-AZUAARDMSA-N 2 2 338.536 3.205 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866703204 1330142486 /nfs/dbraw/zinc/14/24/86/1330142486.db2.gz GKXPYNHLJLLMPG-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866703204 1330142488 /nfs/dbraw/zinc/14/24/88/1330142488.db2.gz GKXPYNHLJLLMPG-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324161522 1387549403 /nfs/dbraw/zinc/54/94/03/1387549403.db2.gz GYGJZQFBLUQBCB-XDXAGZTOSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629837 1387707136 /nfs/dbraw/zinc/70/71/36/1387707136.db2.gz TUDRCRUNALVZKX-MJGOQNOKSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629837 1387707140 /nfs/dbraw/zinc/70/71/40/1387707140.db2.gz TUDRCRUNALVZKX-MJGOQNOKSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)(C)OC(=O)N[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728928 1368882874 /nfs/dbraw/zinc/88/28/74/1368882874.db2.gz RILSVOILCURLMO-INIZCTEOSA-N 2 2 339.524 3.098 10 0 EGAELP CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728928 1368882878 /nfs/dbraw/zinc/88/28/78/1368882878.db2.gz RILSVOILCURLMO-INIZCTEOSA-N 2 2 339.524 3.098 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001325416601 1387968652 /nfs/dbraw/zinc/96/86/52/1387968652.db2.gz NGWIQPFWUCEANG-DLBZAZTESA-N 2 2 348.535 3.189 10 0 EGAELP OC[C@]1(c2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001198742551 1369103148 /nfs/dbraw/zinc/10/31/48/1369103148.db2.gz MZMYRVVGXNBNKJ-NRFANRHFSA-N 2 2 333.435 3.356 10 0 EGAELP OC[C@]1(c2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001198742551 1369103150 /nfs/dbraw/zinc/10/31/50/1369103150.db2.gz MZMYRVVGXNBNKJ-NRFANRHFSA-N 2 2 333.435 3.356 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC001119771872 1371402445 /nfs/dbraw/zinc/40/24/45/1371402445.db2.gz SMBYDBCIOKPBBZ-SOUVJXGZSA-N 2 2 345.409 3.175 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC001119771872 1371402447 /nfs/dbraw/zinc/40/24/47/1371402447.db2.gz SMBYDBCIOKPBBZ-SOUVJXGZSA-N 2 2 345.409 3.175 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001326236752 1388131732 /nfs/dbraw/zinc/13/17/32/1388131732.db2.gz NNRQZJPYLABAFA-INIZCTEOSA-N 2 2 334.533 3.206 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157806 1388413696 /nfs/dbraw/zinc/41/36/96/1388413696.db2.gz VCBDGILIAKKGHJ-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157806 1388413698 /nfs/dbraw/zinc/41/36/98/1388413698.db2.gz VCBDGILIAKKGHJ-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157806 1388413702 /nfs/dbraw/zinc/41/37/02/1388413702.db2.gz VCBDGILIAKKGHJ-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157806 1388413709 /nfs/dbraw/zinc/41/37/09/1388413709.db2.gz VCBDGILIAKKGHJ-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266104859 1377187971 /nfs/dbraw/zinc/18/79/71/1377187971.db2.gz BIAITPCPDSEXCK-INIZCTEOSA-N 2 2 346.450 3.011 10 0 EGAELP C[N@@H+](CCCCCF)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266104859 1377187972 /nfs/dbraw/zinc/18/79/72/1377187972.db2.gz BIAITPCPDSEXCK-INIZCTEOSA-N 2 2 346.450 3.011 10 0 EGAELP Cc1cc(C)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)[nH+]1 ZINC001136254956 1377368253 /nfs/dbraw/zinc/36/82/53/1377368253.db2.gz GESXTDULJKIIQG-HUUCEWRRSA-N 2 2 331.504 3.495 10 0 EGAELP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccsc1 ZINC001267812711 1377471207 /nfs/dbraw/zinc/47/12/07/1377471207.db2.gz FGSKLZGCGWXGOA-INIZCTEOSA-N 2 2 331.485 3.367 10 0 EGAELP CC(C)(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001271585190 1377641206 /nfs/dbraw/zinc/64/12/06/1377641206.db2.gz IVHXOQVBUFLMSJ-QGZVFWFLSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001282725201 1378578911 /nfs/dbraw/zinc/57/89/11/1378578911.db2.gz NDVWVLDKQCAROQ-AWEZNQCLSA-N 2 2 328.460 3.049 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001284199285 1379593151 /nfs/dbraw/zinc/59/31/51/1379593151.db2.gz VSIBXGPDCLGIRL-MSOLQXFVSA-N 2 2 329.488 3.295 10 0 EGAELP CCC(CC)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001327995421 1388640965 /nfs/dbraw/zinc/64/09/65/1388640965.db2.gz LCMAGZNESPJBCD-UHFFFAOYSA-N 2 2 347.503 3.040 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630881 1380034604 /nfs/dbraw/zinc/03/46/04/1380034604.db2.gz KMFULOPYDAWPHZ-PBHICJAKSA-N 2 2 348.535 3.145 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630881 1380034611 /nfs/dbraw/zinc/03/46/11/1380034611.db2.gz KMFULOPYDAWPHZ-PBHICJAKSA-N 2 2 348.535 3.145 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@@H](C)C2)c[nH+]1 ZINC001328258127 1388701320 /nfs/dbraw/zinc/70/13/20/1388701320.db2.gz OANQMVHHUGZPPE-ZWKOTPCHSA-N 2 2 348.535 3.332 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)[C@@H](C)C2)c[nH+]1 ZINC001328258127 1388701321 /nfs/dbraw/zinc/70/13/21/1388701321.db2.gz OANQMVHHUGZPPE-ZWKOTPCHSA-N 2 2 348.535 3.332 10 0 EGAELP CC(C)[N@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001306928025 1383921810 /nfs/dbraw/zinc/92/18/10/1383921810.db2.gz OIZGIWHCEJPPFK-UHFFFAOYSA-N 2 2 342.422 3.097 10 0 EGAELP CC(C)[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001306928025 1383921814 /nfs/dbraw/zinc/92/18/14/1383921814.db2.gz OIZGIWHCEJPPFK-UHFFFAOYSA-N 2 2 342.422 3.097 10 0 EGAELP CC(C)[N@H+](C)CC1CC[NH+](Cc2sncc2Br)CC1 ZINC001307455562 1383994428 /nfs/dbraw/zinc/99/44/28/1383994428.db2.gz RTYVBMPDNCJTOD-UHFFFAOYSA-N 2 2 346.338 3.458 10 0 EGAELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2sncc2Br)CC1 ZINC001307455562 1383994435 /nfs/dbraw/zinc/99/44/35/1383994435.db2.gz RTYVBMPDNCJTOD-UHFFFAOYSA-N 2 2 346.338 3.458 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001316684493 1384524434 /nfs/dbraw/zinc/52/44/34/1384524434.db2.gz XWKOHLMFLNEZCM-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001316719878 1384539015 /nfs/dbraw/zinc/53/90/15/1384539015.db2.gz JDRAELPXJHGNOD-AYOQOUSVSA-N 2 2 346.519 3.138 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001316719878 1384539019 /nfs/dbraw/zinc/53/90/19/1384539019.db2.gz JDRAELPXJHGNOD-AYOQOUSVSA-N 2 2 346.519 3.138 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001329071994 1388954839 /nfs/dbraw/zinc/95/48/39/1388954839.db2.gz XNHZZQNRLDFKSS-SJORKVTESA-N 2 2 348.535 3.380 10 0 EGAELP CC(C)CC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317216964 1384996739 /nfs/dbraw/zinc/99/67/39/1384996739.db2.gz BOAVHMSOGAJTBL-UHFFFAOYSA-N 2 2 328.460 3.011 10 0 EGAELP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001317418733 1385127895 /nfs/dbraw/zinc/12/78/95/1385127895.db2.gz YNHBJZGMMHNQAA-WMLDXEAASA-N 2 2 348.878 3.172 10 0 EGAELP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)c1ccccc1 ZINC001317541324 1385278594 /nfs/dbraw/zinc/27/85/94/1385278594.db2.gz UQAXQFSLCNJQCJ-KBAYOESNSA-N 2 2 340.471 3.103 10 0 EGAELP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)c1ccccc1 ZINC001317541324 1385278596 /nfs/dbraw/zinc/27/85/96/1385278596.db2.gz UQAXQFSLCNJQCJ-KBAYOESNSA-N 2 2 340.471 3.103 10 0 EGAELP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)c1ccccc1 ZINC001317541324 1385278598 /nfs/dbraw/zinc/27/85/98/1385278598.db2.gz UQAXQFSLCNJQCJ-KBAYOESNSA-N 2 2 340.471 3.103 10 0 EGAELP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)c1ccccc1 ZINC001317541324 1385278601 /nfs/dbraw/zinc/27/86/01/1385278601.db2.gz UQAXQFSLCNJQCJ-KBAYOESNSA-N 2 2 340.471 3.103 10 0 EGAELP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001317545056 1385290267 /nfs/dbraw/zinc/29/02/67/1385290267.db2.gz BWVVPBZSXHIQHR-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1cc(C)ccc1C ZINC001317545056 1385290272 /nfs/dbraw/zinc/29/02/72/1385290272.db2.gz BWVVPBZSXHIQHR-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP OCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCCCCC1 ZINC001175503338 1385313188 /nfs/dbraw/zinc/31/31/88/1385313188.db2.gz LNPFULWTOXFEMC-UHFFFAOYSA-N 2 2 346.515 3.084 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001317595981 1385348531 /nfs/dbraw/zinc/34/85/31/1385348531.db2.gz CJUTVZUGXAOPLY-GOSISDBHSA-N 2 2 334.508 3.099 10 0 EGAELP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317769781 1385460527 /nfs/dbraw/zinc/46/05/27/1385460527.db2.gz KIMMLTQXVSQUKV-KRWDZBQOSA-N 2 2 346.519 3.010 10 0 EGAELP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001317769781 1385460528 /nfs/dbraw/zinc/46/05/28/1385460528.db2.gz KIMMLTQXVSQUKV-KRWDZBQOSA-N 2 2 346.519 3.010 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001317769733 1385460603 /nfs/dbraw/zinc/46/06/03/1385460603.db2.gz JKYZUNQCEYUSQM-GOSISDBHSA-N 2 2 348.535 3.102 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001317769733 1385460604 /nfs/dbraw/zinc/46/06/04/1385460604.db2.gz JKYZUNQCEYUSQM-GOSISDBHSA-N 2 2 348.535 3.102 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001318066787 1385623011 /nfs/dbraw/zinc/62/30/11/1385623011.db2.gz GHZOXYWCZNVLLN-IRXDYDNUSA-N 2 2 340.471 3.013 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC001176990634 1385765771 /nfs/dbraw/zinc/76/57/71/1385765771.db2.gz LKGGWAVFDPCZOE-HOTGVXAUSA-N 2 2 345.487 3.303 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC001176990634 1385765773 /nfs/dbraw/zinc/76/57/73/1385765773.db2.gz LKGGWAVFDPCZOE-HOTGVXAUSA-N 2 2 345.487 3.303 10 0 EGAELP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990365 1385765935 /nfs/dbraw/zinc/76/59/35/1385765935.db2.gz HMUCEODYJFCNDO-ZMSDIMECSA-N 2 2 335.492 3.405 10 0 EGAELP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990365 1385765937 /nfs/dbraw/zinc/76/59/37/1385765937.db2.gz HMUCEODYJFCNDO-ZMSDIMECSA-N 2 2 335.492 3.405 10 0 EGAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1 ZINC001318581974 1385770035 /nfs/dbraw/zinc/77/00/35/1385770035.db2.gz NAKQPIFCBPYMCL-RHSMWYFYSA-N 2 2 348.878 3.172 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001318959033 1385897761 /nfs/dbraw/zinc/89/77/61/1385897761.db2.gz KSLNGOSTRJJHQT-GUDVDZBRSA-N 2 2 346.519 3.454 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC(C)C)[C@H](C)C3)ccn12 ZINC001319683518 1386250620 /nfs/dbraw/zinc/25/06/20/1386250620.db2.gz PNKSFKGYZSKLEZ-CRAIPNDOSA-N 2 2 342.487 3.129 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001319693002 1386254446 /nfs/dbraw/zinc/25/44/46/1386254446.db2.gz XPICLFVQXQBKLO-YJBOKZPZSA-N 2 2 348.535 3.189 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001319790779 1386298124 /nfs/dbraw/zinc/29/81/24/1386298124.db2.gz LXLXJIHKXRVLEE-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@@H](CC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320453014 1386613044 /nfs/dbraw/zinc/61/30/44/1386613044.db2.gz DCOGLGWZGVCWFW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@@H](CC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320453014 1386613047 /nfs/dbraw/zinc/61/30/47/1386613047.db2.gz DCOGLGWZGVCWFW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001698717000 1406360455 /nfs/dbraw/zinc/36/04/55/1406360455.db2.gz MUHOPBHRERTOHQ-UHFFFAOYSA-N 2 2 348.450 3.320 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001330511539 1389437064 /nfs/dbraw/zinc/43/70/64/1389437064.db2.gz BPJKOQBLQMVCOB-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001330511539 1389437069 /nfs/dbraw/zinc/43/70/69/1389437069.db2.gz BPJKOQBLQMVCOB-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330511539 1389437074 /nfs/dbraw/zinc/43/70/74/1389437074.db2.gz BPJKOQBLQMVCOB-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330511539 1389437077 /nfs/dbraw/zinc/43/70/77/1389437077.db2.gz BPJKOQBLQMVCOB-QGZVFWFLSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332710439 1390163984 /nfs/dbraw/zinc/16/39/84/1390163984.db2.gz FSVXTUPCTDYVKC-IAGOWNOFSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332710439 1390163989 /nfs/dbraw/zinc/16/39/89/1390163989.db2.gz FSVXTUPCTDYVKC-IAGOWNOFSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332710439 1390163991 /nfs/dbraw/zinc/16/39/91/1390163991.db2.gz FSVXTUPCTDYVKC-IAGOWNOFSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332710439 1390163994 /nfs/dbraw/zinc/16/39/94/1390163994.db2.gz FSVXTUPCTDYVKC-IAGOWNOFSA-N 2 2 346.519 3.118 10 0 EGAELP CC[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC001698802495 1406480412 /nfs/dbraw/zinc/48/04/12/1406480412.db2.gz FJFYKWJUMGPMSO-GOSISDBHSA-N 2 2 340.471 3.053 10 0 EGAELP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC001348853117 1391275373 /nfs/dbraw/zinc/27/53/73/1391275373.db2.gz RPVXAHIGKARSFL-HAGHYFMRSA-N 2 2 325.431 3.305 10 0 EGAELP CCOCC[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479689617 1392321232 /nfs/dbraw/zinc/32/12/32/1392321232.db2.gz RSBXYBRWHYOHMK-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744960 1392360862 /nfs/dbraw/zinc/36/08/62/1392360862.db2.gz HKGSXJVOFVTNMG-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744960 1392360869 /nfs/dbraw/zinc/36/08/69/1392360869.db2.gz HKGSXJVOFVTNMG-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001479744960 1392360870 /nfs/dbraw/zinc/36/08/70/1392360870.db2.gz HKGSXJVOFVTNMG-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001479744960 1392360874 /nfs/dbraw/zinc/36/08/74/1392360874.db2.gz HKGSXJVOFVTNMG-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479777019 1392383007 /nfs/dbraw/zinc/38/30/07/1392383007.db2.gz YPFUQFIUGWBLNW-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479777019 1392383008 /nfs/dbraw/zinc/38/30/08/1392383008.db2.gz YPFUQFIUGWBLNW-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479777019 1392383012 /nfs/dbraw/zinc/38/30/12/1392383012.db2.gz YPFUQFIUGWBLNW-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479777019 1392383015 /nfs/dbraw/zinc/38/30/15/1392383015.db2.gz YPFUQFIUGWBLNW-KBAYOESNSA-N 2 2 340.471 3.021 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001479784898 1392387640 /nfs/dbraw/zinc/38/76/40/1392387640.db2.gz ZMIOFMSZJATWKD-MRXNPFEDSA-N 2 2 330.476 3.068 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001479784898 1392387644 /nfs/dbraw/zinc/38/76/44/1392387644.db2.gz ZMIOFMSZJATWKD-MRXNPFEDSA-N 2 2 330.476 3.068 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001480179818 1392612301 /nfs/dbraw/zinc/61/23/01/1392612301.db2.gz PPUUZYFUEUZXTB-IPQPSQTFSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001480179818 1392612302 /nfs/dbraw/zinc/61/23/02/1392612302.db2.gz PPUUZYFUEUZXTB-IPQPSQTFSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190321 1392619621 /nfs/dbraw/zinc/61/96/21/1392619621.db2.gz ZOGLAKASVUSVFP-MSOLQXFVSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190321 1392619625 /nfs/dbraw/zinc/61/96/25/1392619625.db2.gz ZOGLAKASVUSVFP-MSOLQXFVSA-N 2 2 346.519 3.022 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001698930749 1406667175 /nfs/dbraw/zinc/66/71/75/1406667175.db2.gz DDPSWOASCUHNJO-ZWKOTPCHSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001698936005 1406675480 /nfs/dbraw/zinc/67/54/80/1406675480.db2.gz HHWTXIYSZWQCBJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001698936005 1406675483 /nfs/dbraw/zinc/67/54/83/1406675483.db2.gz HHWTXIYSZWQCBJ-GVDBMIGSSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001481374082 1394215841 /nfs/dbraw/zinc/21/58/41/1394215841.db2.gz YPTUAQQYIXBZGU-LPHOPBHVSA-N 2 2 340.471 3.002 10 0 EGAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001484060793 1395224946 /nfs/dbraw/zinc/22/49/46/1395224946.db2.gz LVZWMPOERIDIND-VQIMIIECSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001484060793 1395224949 /nfs/dbraw/zinc/22/49/49/1395224949.db2.gz LVZWMPOERIDIND-VQIMIIECSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)n1cc[nH+]c1 ZINC001484525238 1395416475 /nfs/dbraw/zinc/41/64/75/1395416475.db2.gz PXLGSWKRDHOYBO-RTBURBONSA-N 2 2 346.519 3.099 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)c[nH+]1 ZINC001484638599 1395458107 /nfs/dbraw/zinc/45/81/07/1395458107.db2.gz FJNOYCUZBKOERL-UHFFFAOYSA-N 2 2 344.503 3.056 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001485240540 1395733757 /nfs/dbraw/zinc/73/37/57/1395733757.db2.gz GKQPVOPJRYSMSY-VOTSOKGWSA-N 2 2 346.519 3.403 10 0 EGAELP CC[C@H](F)C[NH2+][C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001485434062 1395901280 /nfs/dbraw/zinc/90/12/80/1395901280.db2.gz FOQVGVBSBCASBM-JKSUJKDBSA-N 2 2 348.466 3.159 10 0 EGAELP CC[C@@H](F)C[NH2+][C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001485434056 1395901310 /nfs/dbraw/zinc/90/13/10/1395901310.db2.gz FOQVGVBSBCASBM-CVEARBPZSA-N 2 2 348.466 3.159 10 0 EGAELP CC1(C)C[N@H+](CCC2CCCCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485573962 1396040522 /nfs/dbraw/zinc/04/05/22/1396040522.db2.gz KPGGAAOMWAIPSZ-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CCC2CCCCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485573962 1396040525 /nfs/dbraw/zinc/04/05/25/1396040525.db2.gz KPGGAAOMWAIPSZ-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001485661569 1396091963 /nfs/dbraw/zinc/09/19/63/1396091963.db2.gz DMFFPQHCSHKIMT-UHFFFAOYSA-N 2 2 340.471 3.063 10 0 EGAELP CCCCC[N@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001485661569 1396091975 /nfs/dbraw/zinc/09/19/75/1396091975.db2.gz DMFFPQHCSHKIMT-UHFFFAOYSA-N 2 2 340.471 3.063 10 0 EGAELP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485728815 1396121133 /nfs/dbraw/zinc/12/11/33/1396121133.db2.gz CYKWMKOVFVKZNM-MRXNPFEDSA-N 2 2 340.471 3.323 10 0 EGAELP CC[N@H+](CCC1CC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001505400239 1396288179 /nfs/dbraw/zinc/28/81/79/1396288179.db2.gz IIDYJCGWAFUWJP-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001505400239 1396288180 /nfs/dbraw/zinc/28/81/80/1396288180.db2.gz IIDYJCGWAFUWJP-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP CC(C)c1ccc([C@H](C)[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001699010766 1406838901 /nfs/dbraw/zinc/83/89/01/1406838901.db2.gz FKTXWWOGNTWFNX-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC(C)c1ccc([C@H](C)[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001699010766 1406838907 /nfs/dbraw/zinc/83/89/07/1406838907.db2.gz FKTXWWOGNTWFNX-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001689050213 1396844437 /nfs/dbraw/zinc/84/44/37/1396844437.db2.gz WFFTVFSMFMQUJW-APWZRJJASA-N 2 2 340.471 3.113 10 0 EGAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497865578 1396864053 /nfs/dbraw/zinc/86/40/53/1396864053.db2.gz SQHNWLDCXREBIN-OAHLLOKOSA-N 2 2 340.471 3.016 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690424843 1404552303 /nfs/dbraw/zinc/55/23/03/1404552303.db2.gz BBQCGNNAHJFDHA-ZWKOTPCHSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001690471776 1404595603 /nfs/dbraw/zinc/59/56/03/1404595603.db2.gz SQVYJWMNQMVRCI-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CN(CC[NH2+]CCCC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691412243 1405250625 /nfs/dbraw/zinc/25/06/25/1405250625.db2.gz KHZSNOWALHIEMD-UHFFFAOYSA-N 2 2 340.471 3.114 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC1CCCC1 ZINC001691517978 1405317003 /nfs/dbraw/zinc/31/70/03/1405317003.db2.gz BVUOZZHIGBSWKX-RBUKOAKNSA-N 2 2 346.519 3.213 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC1CCCC1 ZINC001691517978 1405317004 /nfs/dbraw/zinc/31/70/04/1405317004.db2.gz BVUOZZHIGBSWKX-RBUKOAKNSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692121579 1405784093 /nfs/dbraw/zinc/78/40/93/1405784093.db2.gz VQOGDFDZQYVGMU-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692121579 1405784094 /nfs/dbraw/zinc/78/40/94/1405784094.db2.gz VQOGDFDZQYVGMU-MJGOQNOKSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692329412 1405947575 /nfs/dbraw/zinc/94/75/75/1405947575.db2.gz IJNNWIGVIXRRGS-ROUUACIJSA-N 2 2 332.492 3.161 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698588927 1406210109 /nfs/dbraw/zinc/21/01/09/1406210109.db2.gz WUNGJMUKGLLDPZ-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698588927 1406210113 /nfs/dbraw/zinc/21/01/13/1406210113.db2.gz WUNGJMUKGLLDPZ-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698588927 1406210116 /nfs/dbraw/zinc/21/01/16/1406210116.db2.gz WUNGJMUKGLLDPZ-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698588927 1406210118 /nfs/dbraw/zinc/21/01/18/1406210118.db2.gz WUNGJMUKGLLDPZ-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C)cc1C ZINC001732225225 1428473385 /nfs/dbraw/zinc/47/33/85/1428473385.db2.gz ZBQOKPFKCKBVBN-PKOBYXMFSA-N 2 2 342.487 3.136 10 0 EGAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C)cc1C ZINC001732225223 1428473577 /nfs/dbraw/zinc/47/35/77/1428473577.db2.gz ZBQOKPFKCKBVBN-IEBWSBKVSA-N 2 2 342.487 3.136 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001732270995 1428507338 /nfs/dbraw/zinc/50/73/38/1428507338.db2.gz CBSBMPSTEABZAH-XCVZWFEFSA-N 2 2 346.862 3.147 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCCC(C)C)CCCC2)c[nH+]1 ZINC001732391660 1428560666 /nfs/dbraw/zinc/56/06/66/1428560666.db2.gz BSMRIOWVERKBBS-UHFFFAOYSA-N 2 2 348.535 3.381 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001732465690 1428595942 /nfs/dbraw/zinc/59/59/42/1428595942.db2.gz DSUOGOWVXARRDC-SJORKVTESA-N 2 2 348.535 3.002 10 0 EGAELP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732509080 1428628103 /nfs/dbraw/zinc/62/81/03/1428628103.db2.gz STEAZSUKVDVBRN-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732509080 1428628106 /nfs/dbraw/zinc/62/81/06/1428628106.db2.gz STEAZSUKVDVBRN-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001732510643 1428629547 /nfs/dbraw/zinc/62/95/47/1428629547.db2.gz KMGKEHCZLIPEFS-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CCN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001699194465 1412564891 /nfs/dbraw/zinc/56/48/91/1412564891.db2.gz LVZXDEQGBIOSGC-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699482583 1412877423 /nfs/dbraw/zinc/87/74/23/1412877423.db2.gz RITNDYNZQICTPM-DLBZAZTESA-N 2 2 340.471 3.179 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001699537779 1412912179 /nfs/dbraw/zinc/91/21/79/1412912179.db2.gz MQJOYBYKVNTFJS-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732539876 1428689961 /nfs/dbraw/zinc/68/99/61/1428689961.db2.gz MMPXQUYFDOQAAN-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732539876 1428689964 /nfs/dbraw/zinc/68/99/64/1428689964.db2.gz MMPXQUYFDOQAAN-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699840027 1413268927 /nfs/dbraw/zinc/26/89/27/1413268927.db2.gz BCSSBEWUKRCOIL-ICSRJNTNSA-N 2 2 346.519 3.265 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001700099835 1413516916 /nfs/dbraw/zinc/51/69/16/1413516916.db2.gz QXZRIYJDQCQAOL-INIZCTEOSA-N 2 2 342.487 3.286 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700177414 1413587626 /nfs/dbraw/zinc/58/76/26/1413587626.db2.gz CBZZZAKKOJDCJN-KRWDZBQOSA-N 2 2 342.487 3.499 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700177414 1413587630 /nfs/dbraw/zinc/58/76/30/1413587630.db2.gz CBZZZAKKOJDCJN-KRWDZBQOSA-N 2 2 342.487 3.499 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292004 1413746571 /nfs/dbraw/zinc/74/65/71/1413746571.db2.gz HRKZLGOIYANJHK-FUHWJXTLSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292004 1413746574 /nfs/dbraw/zinc/74/65/74/1413746574.db2.gz HRKZLGOIYANJHK-FUHWJXTLSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292004 1413746575 /nfs/dbraw/zinc/74/65/75/1413746575.db2.gz HRKZLGOIYANJHK-FUHWJXTLSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292004 1413746581 /nfs/dbraw/zinc/74/65/81/1413746581.db2.gz HRKZLGOIYANJHK-FUHWJXTLSA-N 2 2 348.535 3.241 10 0 EGAELP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700364825 1413886233 /nfs/dbraw/zinc/88/62/33/1413886233.db2.gz RRQOPYHTKKEAFS-MRXNPFEDSA-N 2 2 334.508 3.190 10 0 EGAELP CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700364825 1413886238 /nfs/dbraw/zinc/88/62/38/1413886238.db2.gz RRQOPYHTKKEAFS-MRXNPFEDSA-N 2 2 334.508 3.190 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463185 1414065595 /nfs/dbraw/zinc/06/55/95/1414065595.db2.gz FHNNLAOVNMJLSI-FUHWJXTLSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463185 1414065598 /nfs/dbraw/zinc/06/55/98/1414065598.db2.gz FHNNLAOVNMJLSI-FUHWJXTLSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCC(C)CC1 ZINC001700505415 1414152968 /nfs/dbraw/zinc/15/29/68/1414152968.db2.gz AVPPNZLFEZVRMU-DAWZGUTISA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001700514564 1414165235 /nfs/dbraw/zinc/16/52/35/1414165235.db2.gz UAMHIYIAHMPDDW-INIZCTEOSA-N 2 2 332.492 3.043 10 0 EGAELP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001701019981 1414681044 /nfs/dbraw/zinc/68/10/44/1414681044.db2.gz URALFIGTVBDLJJ-ABHNRTSZSA-N 2 2 334.508 3.095 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001707092233 1417198016 /nfs/dbraw/zinc/19/80/16/1417198016.db2.gz VBZKYPXIPKPRIT-QLBHFUSHSA-N 2 2 346.519 3.145 10 0 EGAELP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707134223 1417216436 /nfs/dbraw/zinc/21/64/36/1417216436.db2.gz MNWOTQRHHOEMDO-KBXCAEBGSA-N 2 2 328.460 3.193 10 0 EGAELP CC(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001707138880 1417218271 /nfs/dbraw/zinc/21/82/71/1417218271.db2.gz JUOGJQAXJBUOHF-IEBWSBKVSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001707239037 1417259417 /nfs/dbraw/zinc/25/94/17/1417259417.db2.gz VOHYDKROHJLIKE-SFHVURJKSA-N 2 2 346.519 3.254 10 0 EGAELP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279788 1417288181 /nfs/dbraw/zinc/28/81/81/1417288181.db2.gz GMVPHSPRXDMUKC-SJORKVTESA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279788 1417288185 /nfs/dbraw/zinc/28/81/85/1417288185.db2.gz GMVPHSPRXDMUKC-SJORKVTESA-N 2 2 334.508 3.097 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001712974172 1417526893 /nfs/dbraw/zinc/52/68/93/1417526893.db2.gz KRENJSOBGRHBIX-QGZVFWFLSA-N 2 2 348.878 3.195 10 0 EGAELP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001712974172 1417526901 /nfs/dbraw/zinc/52/69/01/1417526901.db2.gz KRENJSOBGRHBIX-QGZVFWFLSA-N 2 2 348.878 3.195 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182766 1417758084 /nfs/dbraw/zinc/75/80/84/1417758084.db2.gz PTXMVNAIUOUTFY-RBUKOAKNSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182766 1417758089 /nfs/dbraw/zinc/75/80/89/1417758089.db2.gz PTXMVNAIUOUTFY-RBUKOAKNSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001713271546 1417884473 /nfs/dbraw/zinc/88/44/73/1417884473.db2.gz KMEAIKKGOZDFEV-MOPGFXCFSA-N 2 2 346.519 3.234 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001713271546 1417884476 /nfs/dbraw/zinc/88/44/76/1417884476.db2.gz KMEAIKKGOZDFEV-MOPGFXCFSA-N 2 2 346.519 3.234 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CC(C)C)c2ccccc2)c[nH+]1 ZINC001713702511 1418460686 /nfs/dbraw/zinc/46/06/86/1418460686.db2.gz KQNIDFILBOWMDC-SFHVURJKSA-N 2 2 342.487 3.030 10 0 EGAELP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001713710549 1418470310 /nfs/dbraw/zinc/47/03/10/1418470310.db2.gz NMZCCUGRKZMHGW-OKZBNKHCSA-N 2 2 346.519 3.336 10 0 EGAELP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001713710549 1418470313 /nfs/dbraw/zinc/47/03/13/1418470313.db2.gz NMZCCUGRKZMHGW-OKZBNKHCSA-N 2 2 346.519 3.336 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713789060 1418605843 /nfs/dbraw/zinc/60/58/43/1418605843.db2.gz GTOLHLFIXLWRLF-HQYUYXFKSA-N 2 2 332.492 3.161 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713789060 1418605845 /nfs/dbraw/zinc/60/58/45/1418605845.db2.gz GTOLHLFIXLWRLF-HQYUYXFKSA-N 2 2 332.492 3.161 10 0 EGAELP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001713858466 1418655395 /nfs/dbraw/zinc/65/53/95/1418655395.db2.gz RFNHSVCDZXWTGW-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001713972598 1418751438 /nfs/dbraw/zinc/75/14/38/1418751438.db2.gz CMOKLGRBQDJRAK-OOKSDGMUSA-N 2 2 346.519 3.382 10 0 EGAELP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001713972598 1418751440 /nfs/dbraw/zinc/75/14/40/1418751440.db2.gz CMOKLGRBQDJRAK-OOKSDGMUSA-N 2 2 346.519 3.382 10 0 EGAELP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001714440105 1419171488 /nfs/dbraw/zinc/17/14/88/1419171488.db2.gz GOXNZZFDGKJAJW-SFHVURJKSA-N 2 2 347.503 3.136 10 0 EGAELP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001714440105 1419171491 /nfs/dbraw/zinc/17/14/91/1419171491.db2.gz GOXNZZFDGKJAJW-SFHVURJKSA-N 2 2 347.503 3.136 10 0 EGAELP O=C(NCC1([NH2+]CC2=CCCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714497712 1419222173 /nfs/dbraw/zinc/22/21/73/1419222173.db2.gz XGBSUAOAWPVNED-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP O=C(NCC1([NH2+]CC2=CCCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001714497712 1419222176 /nfs/dbraw/zinc/22/21/76/1419222176.db2.gz XGBSUAOAWPVNED-IAGOWNOFSA-N 2 2 342.487 3.032 10 0 EGAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001714548382 1419274967 /nfs/dbraw/zinc/27/49/67/1419274967.db2.gz KAFNSTHRNRIZIC-KRWDZBQOSA-N 2 2 348.516 3.088 10 0 EGAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001714548382 1419274970 /nfs/dbraw/zinc/27/49/70/1419274970.db2.gz KAFNSTHRNRIZIC-KRWDZBQOSA-N 2 2 348.516 3.088 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715136297 1419885061 /nfs/dbraw/zinc/88/50/61/1419885061.db2.gz CDHIVSXDVOIBGO-OXQOHEQNSA-N 2 2 346.519 3.187 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715384418 1420081189 /nfs/dbraw/zinc/08/11/89/1420081189.db2.gz IIXLAQVJBVHPGY-KXBFYZLASA-N 2 2 342.487 3.439 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)c[nH+]1 ZINC001715591463 1420262228 /nfs/dbraw/zinc/26/22/28/1420262228.db2.gz BJGPNQFHRPXUJW-MRXNPFEDSA-N 2 2 336.524 3.093 10 0 EGAELP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001716982674 1421060944 /nfs/dbraw/zinc/06/09/44/1421060944.db2.gz DBHFIQJBPREOIE-MAUKXSAKSA-N 2 2 342.487 3.131 10 0 EGAELP CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001717114560 1421118549 /nfs/dbraw/zinc/11/85/49/1421118549.db2.gz CJENBYKPUSVNTM-JKSUJKDBSA-N 2 2 328.460 3.211 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391285 1421328667 /nfs/dbraw/zinc/32/86/67/1421328667.db2.gz KEXSMQNRQDQILI-FAEJEUNOSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391285 1421328670 /nfs/dbraw/zinc/32/86/70/1421328670.db2.gz KEXSMQNRQDQILI-FAEJEUNOSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391286 1421328798 /nfs/dbraw/zinc/32/87/98/1421328798.db2.gz KEXSMQNRQDQILI-ZLPCBKJTSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391286 1421328801 /nfs/dbraw/zinc/32/88/01/1421328801.db2.gz KEXSMQNRQDQILI-ZLPCBKJTSA-N 2 2 346.519 3.043 10 0 EGAELP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717733802 1421598834 /nfs/dbraw/zinc/59/88/34/1421598834.db2.gz PZUXVHRIAWGPDQ-LJQANCHMSA-N 2 2 340.471 3.113 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001717847268 1421661240 /nfs/dbraw/zinc/66/12/40/1421661240.db2.gz JUVJFBVXKXJOJQ-NZSAHSFTSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001717847268 1421661243 /nfs/dbraw/zinc/66/12/43/1421661243.db2.gz JUVJFBVXKXJOJQ-NZSAHSFTSA-N 2 2 346.519 3.139 10 0 EGAELP CCC(CC)C[N@H+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001717949668 1421717867 /nfs/dbraw/zinc/71/78/67/1421717867.db2.gz GZIIQECOBSHUAV-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP CCC(CC)C[N@@H+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001717949668 1421717870 /nfs/dbraw/zinc/71/78/70/1421717870.db2.gz GZIIQECOBSHUAV-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001717979368 1421750755 /nfs/dbraw/zinc/75/07/55/1421750755.db2.gz GYORUDYHYCFKQG-ZWKOTPCHSA-N 2 2 348.535 3.172 10 0 EGAELP CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001722940074 1424267049 /nfs/dbraw/zinc/26/70/49/1424267049.db2.gz OKJBGRJOCQRKRK-QZTJIDSGSA-N 2 2 342.487 3.321 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001723038994 1424291951 /nfs/dbraw/zinc/29/19/51/1424291951.db2.gz OIKHEYJLXFRGLC-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001723038994 1424291955 /nfs/dbraw/zinc/29/19/55/1424291955.db2.gz OIKHEYJLXFRGLC-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1F ZINC001723172150 1424314312 /nfs/dbraw/zinc/31/43/12/1424314312.db2.gz CQBGOAOQSFRSPY-CQSZACIVSA-N 2 2 346.450 3.026 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529450 1429736046 /nfs/dbraw/zinc/73/60/46/1429736046.db2.gz USWCWIPJHZKMHE-FZZYSBJUSA-N 2 2 340.471 3.359 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001724590572 1424923364 /nfs/dbraw/zinc/92/33/64/1424923364.db2.gz ZKFLFALWNHBHJU-WMZOPIPTSA-N 2 2 348.535 3.047 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCC1 ZINC001724787439 1425154131 /nfs/dbraw/zinc/15/41/31/1425154131.db2.gz DRYIWNMCOLLXLD-QGZVFWFLSA-N 2 2 332.492 3.065 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001725003407 1425414500 /nfs/dbraw/zinc/41/45/00/1425414500.db2.gz PELNMULGWYEOER-IRXDYDNUSA-N 2 2 342.487 3.353 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001725003407 1425414505 /nfs/dbraw/zinc/41/45/05/1425414505.db2.gz PELNMULGWYEOER-IRXDYDNUSA-N 2 2 342.487 3.353 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001725003403 1425414826 /nfs/dbraw/zinc/41/48/26/1425414826.db2.gz PELNMULGWYEOER-DLBZAZTESA-N 2 2 342.487 3.353 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001725003403 1425414829 /nfs/dbraw/zinc/41/48/29/1425414829.db2.gz PELNMULGWYEOER-DLBZAZTESA-N 2 2 342.487 3.353 10 0 EGAELP CCCC[C@@H](C[NH2+]C/C=C\Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725234464 1425816048 /nfs/dbraw/zinc/81/60/48/1425816048.db2.gz QABOUVJJRREBCX-ZBKLQPJUSA-N 2 2 334.851 3.194 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001725657789 1426340231 /nfs/dbraw/zinc/34/02/31/1426340231.db2.gz BDAQGWBJHJXEKF-RTRPANQVSA-N 2 2 340.471 3.131 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(C)C ZINC001725733585 1426406252 /nfs/dbraw/zinc/40/62/52/1426406252.db2.gz QYKYBCUTOJBRCO-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(C)C ZINC001725733585 1426406254 /nfs/dbraw/zinc/40/62/54/1426406254.db2.gz QYKYBCUTOJBRCO-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001725797545 1426482474 /nfs/dbraw/zinc/48/24/74/1426482474.db2.gz OHKOHTRNBSSWRJ-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731727776 1427801778 /nfs/dbraw/zinc/80/17/78/1427801778.db2.gz ZLJVLLZBOCAOLP-IYKSTZQJSA-N 2 2 328.460 3.097 10 0 EGAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H]1CCc2ccccc21 ZINC001731730730 1427806934 /nfs/dbraw/zinc/80/69/34/1427806934.db2.gz FDJVGAIOSJJIHA-CRAIPNDOSA-N 2 2 348.450 3.120 10 0 EGAELP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001734023691 1437812021 /nfs/dbraw/zinc/81/20/21/1437812021.db2.gz QRORVYFSSGYAEL-UHFFFAOYSA-N 2 2 348.535 3.342 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001734106834 1437893346 /nfs/dbraw/zinc/89/33/46/1437893346.db2.gz ULJXZJKWSYTNRV-GOSISDBHSA-N 2 2 348.535 3.150 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001734106834 1437893348 /nfs/dbraw/zinc/89/33/48/1437893348.db2.gz ULJXZJKWSYTNRV-GOSISDBHSA-N 2 2 348.535 3.150 10 0 EGAELP CC[C@@H](F)C[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001734288900 1438018543 /nfs/dbraw/zinc/01/85/43/1438018543.db2.gz UZXTXNVBMNCIRS-HUUCEWRRSA-N 2 2 334.439 3.045 10 0 EGAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(C)(C)C ZINC001734288982 1438018937 /nfs/dbraw/zinc/01/89/37/1438018937.db2.gz VGGAYSHZTWZTHY-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001734342868 1438062812 /nfs/dbraw/zinc/06/28/12/1438062812.db2.gz PAQCVCKJFHQESE-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CCCC1CCCC1 ZINC001734350259 1438068247 /nfs/dbraw/zinc/06/82/47/1438068247.db2.gz GGJMCXAEGRZHNM-OAHLLOKOSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001734553904 1438152577 /nfs/dbraw/zinc/15/25/77/1438152577.db2.gz LLBRHDWWTHZBKN-INIZCTEOSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001734553904 1438152579 /nfs/dbraw/zinc/15/25/79/1438152579.db2.gz LLBRHDWWTHZBKN-INIZCTEOSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001734553904 1438152581 /nfs/dbraw/zinc/15/25/81/1438152581.db2.gz LLBRHDWWTHZBKN-INIZCTEOSA-N 2 2 336.524 3.193 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001734553904 1438152583 /nfs/dbraw/zinc/15/25/83/1438152583.db2.gz LLBRHDWWTHZBKN-INIZCTEOSA-N 2 2 336.524 3.193 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442135 168355939 /nfs/dbraw/zinc/35/59/39/168355939.db2.gz KVCISLWJMIRBLV-OXJNMPFZSA-N 2 2 336.483 3.007 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442135 168355944 /nfs/dbraw/zinc/35/59/44/168355944.db2.gz KVCISLWJMIRBLV-OXJNMPFZSA-N 2 2 336.483 3.007 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000368464298 168359511 /nfs/dbraw/zinc/35/95/11/168359511.db2.gz DRFLGDJOGVWHNZ-IOMROCGXSA-N 2 2 343.515 3.446 10 0 EGAELP CCc1c(C)[nH+]c(-c2ccc(OC)cc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000070456488 202335785 /nfs/dbraw/zinc/33/57/85/202335785.db2.gz PMTSFKSPOKYYEM-HNNXBMFYSA-N 2 2 326.444 3.187 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)C2 ZINC000369648160 242015218 /nfs/dbraw/zinc/01/52/18/242015218.db2.gz NSJYWKSWXQXDRQ-INIZCTEOSA-N 2 2 348.535 3.263 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)CC2 ZINC000369648160 242015227 /nfs/dbraw/zinc/01/52/27/242015227.db2.gz NSJYWKSWXQXDRQ-INIZCTEOSA-N 2 2 348.535 3.263 10 0 EGAELP C[C@@H](c1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863544 204172165 /nfs/dbraw/zinc/17/21/65/204172165.db2.gz FDWMGTBVNWMZCH-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@@H](c1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863544 204172170 /nfs/dbraw/zinc/17/21/70/204172170.db2.gz FDWMGTBVNWMZCH-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000105922660 204178949 /nfs/dbraw/zinc/17/89/49/204178949.db2.gz RDFFRFQSHUOKLO-CQSZACIVSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000105922660 204178953 /nfs/dbraw/zinc/17/89/53/204178953.db2.gz RDFFRFQSHUOKLO-CQSZACIVSA-N 2 2 343.456 3.394 10 0 EGAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)CCOC ZINC000042954642 204183677 /nfs/dbraw/zinc/18/36/77/204183677.db2.gz DCYSAUPPWMEKKR-GJZGRUSLSA-N 2 2 329.282 3.196 10 0 EGAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)CCOC ZINC000042954642 204183682 /nfs/dbraw/zinc/18/36/82/204183682.db2.gz DCYSAUPPWMEKKR-GJZGRUSLSA-N 2 2 329.282 3.196 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000106212010 204186968 /nfs/dbraw/zinc/18/69/68/204186968.db2.gz LYDGMHUCAOETEJ-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000106212010 204186973 /nfs/dbraw/zinc/18/69/73/204186973.db2.gz LYDGMHUCAOETEJ-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000377293481 169007082 /nfs/dbraw/zinc/00/70/82/169007082.db2.gz IYZLHPVEEDTIOG-OAHLLOKOSA-N 2 2 339.418 3.125 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000377293481 169007083 /nfs/dbraw/zinc/00/70/83/169007083.db2.gz IYZLHPVEEDTIOG-OAHLLOKOSA-N 2 2 339.418 3.125 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000174765978 207056345 /nfs/dbraw/zinc/05/63/45/207056345.db2.gz RDOKURGXQNPMOB-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000174765978 207056348 /nfs/dbraw/zinc/05/63/48/207056348.db2.gz RDOKURGXQNPMOB-YOEHRIQHSA-N 2 2 331.847 3.202 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780257 207056936 /nfs/dbraw/zinc/05/69/36/207056936.db2.gz JBBCIJYUOUROFI-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780257 207056940 /nfs/dbraw/zinc/05/69/40/207056940.db2.gz JBBCIJYUOUROFI-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780257 207056942 /nfs/dbraw/zinc/05/69/42/207056942.db2.gz JBBCIJYUOUROFI-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccccn3)n2)[C@H](C)C1 ZINC000174780257 207056946 /nfs/dbraw/zinc/05/69/46/207056946.db2.gz JBBCIJYUOUROFI-RHSMWYFYSA-N 2 2 330.501 3.367 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057872 207290407 /nfs/dbraw/zinc/29/04/07/207290407.db2.gz SIPUTTMSXWGDHC-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057872 207290409 /nfs/dbraw/zinc/29/04/09/207290409.db2.gz SIPUTTMSXWGDHC-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057872 207290414 /nfs/dbraw/zinc/29/04/14/207290414.db2.gz SIPUTTMSXWGDHC-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000177057872 207290415 /nfs/dbraw/zinc/29/04/15/207290415.db2.gz SIPUTTMSXWGDHC-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP CCCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456159 135618174 /nfs/dbraw/zinc/61/81/74/135618174.db2.gz LBRADYUOASMDCQ-UHFFFAOYSA-N 2 2 328.435 3.410 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526048 141013888 /nfs/dbraw/zinc/01/38/88/141013888.db2.gz ADCAIEKHXCVQLE-FXAWDEMLSA-N 2 2 337.467 3.194 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526048 141013889 /nfs/dbraw/zinc/01/38/89/141013889.db2.gz ADCAIEKHXCVQLE-FXAWDEMLSA-N 2 2 337.467 3.194 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526048 141013890 /nfs/dbraw/zinc/01/38/90/141013890.db2.gz ADCAIEKHXCVQLE-FXAWDEMLSA-N 2 2 337.467 3.194 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526048 141013891 /nfs/dbraw/zinc/01/38/91/141013891.db2.gz ADCAIEKHXCVQLE-FXAWDEMLSA-N 2 2 337.467 3.194 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928463 141043845 /nfs/dbraw/zinc/04/38/45/141043845.db2.gz GTZDCQWIPLVPJC-WIYYLYMNSA-N 3 2 344.547 3.004 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928463 141043850 /nfs/dbraw/zinc/04/38/50/141043850.db2.gz GTZDCQWIPLVPJC-WIYYLYMNSA-N 3 2 344.547 3.004 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353444509 141297369 /nfs/dbraw/zinc/29/73/69/141297369.db2.gz VQROWDFWSDOJOR-PCCBWWKXSA-N 3 2 345.506 3.253 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353444509 141297371 /nfs/dbraw/zinc/29/73/71/141297371.db2.gz VQROWDFWSDOJOR-PCCBWWKXSA-N 3 2 345.506 3.253 10 0 EGAELP C[C@H](CNc1[nH+]cccc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC000354566191 141307065 /nfs/dbraw/zinc/30/70/65/141307065.db2.gz CSNNFEJFXZSMNN-QGZVFWFLSA-N 2 2 341.455 3.041 10 0 EGAELP CCSc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000186418385 144133055 /nfs/dbraw/zinc/13/30/55/144133055.db2.gz WFDROKOEQUZVNL-UHFFFAOYSA-N 2 2 328.485 3.219 10 0 EGAELP C[C@@]1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCCS1 ZINC000344644950 144204181 /nfs/dbraw/zinc/20/41/81/144204181.db2.gz XRVHBTVEMFCFKG-KRWDZBQOSA-N 2 2 326.550 3.144 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000344864265 144232757 /nfs/dbraw/zinc/23/27/57/144232757.db2.gz MHNCBGYKWVXPAA-NUEKZKHPSA-N 2 2 330.394 3.064 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000344864265 144232759 /nfs/dbraw/zinc/23/27/59/144232759.db2.gz MHNCBGYKWVXPAA-NUEKZKHPSA-N 2 2 330.394 3.064 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000344864266 144232763 /nfs/dbraw/zinc/23/27/63/144232763.db2.gz MHNCBGYKWVXPAA-VNQPRFMTSA-N 2 2 330.394 3.064 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000344864266 144232765 /nfs/dbraw/zinc/23/27/65/144232765.db2.gz MHNCBGYKWVXPAA-VNQPRFMTSA-N 2 2 330.394 3.064 10 0 EGAELP Cc1cn2cc(NC(=O)NCCC[NH+](C(C)C)C(C)C)ccc2[nH+]1 ZINC000351606151 144287173 /nfs/dbraw/zinc/28/71/73/144287173.db2.gz AXJLHTPVPOFZOK-UHFFFAOYSA-N 2 2 331.464 3.273 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351768243 144303965 /nfs/dbraw/zinc/30/39/65/144303965.db2.gz WRJBWGPMYWGPDH-KDOFPFPSSA-N 2 2 329.444 3.419 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757709 144363302 /nfs/dbraw/zinc/36/33/02/144363302.db2.gz MMMKLHDYUKTKNN-UYAOXDASSA-N 3 2 338.499 3.384 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757709 144363304 /nfs/dbraw/zinc/36/33/04/144363304.db2.gz MMMKLHDYUKTKNN-UYAOXDASSA-N 3 2 338.499 3.384 10 0 EGAELP Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1Oc1cc[nH+]cc1 ZINC000115376670 152011008 /nfs/dbraw/zinc/01/10/08/152011008.db2.gz VIRTVCLUMYEVPQ-UHFFFAOYSA-N 2 2 339.439 3.349 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000121777061 152371102 /nfs/dbraw/zinc/37/11/02/152371102.db2.gz KSDOSINDIRORGW-UHFFFAOYSA-N 2 2 340.515 3.383 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000189963873 153109053 /nfs/dbraw/zinc/10/90/53/153109053.db2.gz KPCAYZKLAZRJDG-INIZCTEOSA-N 2 2 339.886 3.081 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000192034467 153239073 /nfs/dbraw/zinc/23/90/73/153239073.db2.gz RJCXQCHJJLJWGG-CVEARBPZSA-N 2 2 333.476 3.244 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000192034467 153239078 /nfs/dbraw/zinc/23/90/78/153239078.db2.gz RJCXQCHJJLJWGG-CVEARBPZSA-N 2 2 333.476 3.244 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000192075918 153240295 /nfs/dbraw/zinc/24/02/95/153240295.db2.gz BPWMJFYAVJYHPT-QUCCMNQESA-N 2 2 325.456 3.308 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000192075918 153240301 /nfs/dbraw/zinc/24/03/01/153240301.db2.gz BPWMJFYAVJYHPT-QUCCMNQESA-N 2 2 325.456 3.308 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000304225515 154069038 /nfs/dbraw/zinc/06/90/38/154069038.db2.gz KTXBBFAEOMWFDN-UHFFFAOYSA-N 2 2 346.446 3.331 10 0 EGAELP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504159 154386942 /nfs/dbraw/zinc/38/69/42/154386942.db2.gz YBJZBTVWSZPDMW-DOTOQJQBSA-N 2 2 333.476 3.131 10 0 EGAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504159 154386943 /nfs/dbraw/zinc/38/69/43/154386943.db2.gz YBJZBTVWSZPDMW-DOTOQJQBSA-N 2 2 333.476 3.131 10 0 EGAELP CC[NH+](CC)[C@H](C(=O)NCc1[nH+]ccn1CC(C)C)c1ccccc1 ZINC000131196732 162393362 /nfs/dbraw/zinc/39/33/62/162393362.db2.gz ACXRYMUBUHJFNV-IBGZPJMESA-N 2 2 342.487 3.238 10 0 EGAELP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000248406293 163002050 /nfs/dbraw/zinc/00/20/50/163002050.db2.gz SFPINVGBBLVFFH-PCCBWWKXSA-N 3 2 338.499 3.164 10 0 EGAELP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000248406293 163002053 /nfs/dbraw/zinc/00/20/53/163002053.db2.gz SFPINVGBBLVFFH-PCCBWWKXSA-N 3 2 338.499 3.164 10 0 EGAELP C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000248669243 163027157 /nfs/dbraw/zinc/02/71/57/163027157.db2.gz RFYKWTLUKBMHOZ-VQIMIIECSA-N 2 2 325.456 3.334 10 0 EGAELP C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000248669243 163027161 /nfs/dbraw/zinc/02/71/61/163027161.db2.gz RFYKWTLUKBMHOZ-VQIMIIECSA-N 2 2 325.456 3.334 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892194 163088115 /nfs/dbraw/zinc/08/81/15/163088115.db2.gz JJVNDKDOHXUBHP-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892194 163088117 /nfs/dbraw/zinc/08/81/17/163088117.db2.gz JJVNDKDOHXUBHP-WCQYABFASA-N 2 2 327.266 3.203 10 0 EGAELP CSc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000338837506 163360416 /nfs/dbraw/zinc/36/04/16/163360416.db2.gz OQFVCHUHLOGZQO-INIZCTEOSA-N 2 2 328.485 3.213 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884906 164058296 /nfs/dbraw/zinc/05/82/96/164058296.db2.gz AAAURPCEOUKIFA-JXFKEZNVSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884906 164058298 /nfs/dbraw/zinc/05/82/98/164058298.db2.gz AAAURPCEOUKIFA-JXFKEZNVSA-N 2 2 334.467 3.124 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000344129970 164110441 /nfs/dbraw/zinc/11/04/41/164110441.db2.gz OUVYJZKEBFKCIZ-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000344129970 164110442 /nfs/dbraw/zinc/11/04/42/164110442.db2.gz OUVYJZKEBFKCIZ-QGZVFWFLSA-N 2 2 348.487 3.463 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)c2)c[nH+]1 ZINC000344335088 164159101 /nfs/dbraw/zinc/15/91/01/164159101.db2.gz QXPAFKRUJHZFKC-CJNGLKHVSA-N 2 2 335.498 3.078 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)c2)c[nH+]1 ZINC000344335089 164159619 /nfs/dbraw/zinc/15/96/19/164159619.db2.gz QXPAFKRUJHZFKC-CZUORRHYSA-N 2 2 335.498 3.078 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@@H+]1C ZINC000346314564 164368384 /nfs/dbraw/zinc/36/83/84/164368384.db2.gz RTDVGVVRGXWRQT-RDJZCZTQSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)CC[N@H+]1C ZINC000346314564 164368385 /nfs/dbraw/zinc/36/83/85/164368385.db2.gz RTDVGVVRGXWRQT-RDJZCZTQSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314564 164368386 /nfs/dbraw/zinc/36/83/86/164368386.db2.gz RTDVGVVRGXWRQT-RDJZCZTQSA-N 2 2 326.444 3.183 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC[NH+]1C ZINC000346314564 164368387 /nfs/dbraw/zinc/36/83/87/164368387.db2.gz RTDVGVVRGXWRQT-RDJZCZTQSA-N 2 2 326.444 3.183 10 0 EGAELP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352256169 165312684 /nfs/dbraw/zinc/31/26/84/165312684.db2.gz GFRYQEVXTIGJIW-GFCCVEGCSA-N 2 2 335.473 3.073 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355612032 166261335 /nfs/dbraw/zinc/26/13/35/166261335.db2.gz WNBVPNBDDREMIM-UHFFFAOYSA-N 2 2 332.879 3.333 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000355658518 166276500 /nfs/dbraw/zinc/27/65/00/166276500.db2.gz XSWOOMLNCDGMRR-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccnc1 ZINC000365102944 168021268 /nfs/dbraw/zinc/02/12/68/168021268.db2.gz YMNQLVOYODVGGI-RXVVDRJESA-N 2 2 347.466 3.050 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccnc1 ZINC000365102944 168021269 /nfs/dbraw/zinc/02/12/69/168021269.db2.gz YMNQLVOYODVGGI-RXVVDRJESA-N 2 2 347.466 3.050 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247993722 274357225 /nfs/dbraw/zinc/35/72/25/274357225.db2.gz JRMPYDXSWJXTPY-NXHRZFHOSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247993722 274357227 /nfs/dbraw/zinc/35/72/27/274357227.db2.gz JRMPYDXSWJXTPY-NXHRZFHOSA-N 2 2 331.504 3.228 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123993007 276255905 /nfs/dbraw/zinc/25/59/05/276255905.db2.gz WASXWFQYQWEYSY-QUCCMNQESA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123993007 276255906 /nfs/dbraw/zinc/25/59/06/276255906.db2.gz WASXWFQYQWEYSY-QUCCMNQESA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123993007 276255907 /nfs/dbraw/zinc/25/59/07/276255907.db2.gz WASXWFQYQWEYSY-QUCCMNQESA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123993007 276255908 /nfs/dbraw/zinc/25/59/08/276255908.db2.gz WASXWFQYQWEYSY-QUCCMNQESA-N 2 2 345.531 3.148 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358741520 277223490 /nfs/dbraw/zinc/22/34/90/277223490.db2.gz DTGXNBOOFRGSPY-YJBOKZPZSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358741520 277223492 /nfs/dbraw/zinc/22/34/92/277223492.db2.gz DTGXNBOOFRGSPY-YJBOKZPZSA-N 2 2 326.431 3.362 10 0 EGAELP CNC(=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000361641294 277233737 /nfs/dbraw/zinc/23/37/37/277233737.db2.gz YPHCZKOTYJEHSY-FQEVSTJZSA-N 2 2 348.450 3.148 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cnn1-c1cc(C)ccc1C ZINC000414120900 309062146 /nfs/dbraw/zinc/06/21/46/309062146.db2.gz FHBAWUMWGSWRRD-INIZCTEOSA-N 2 2 337.471 3.424 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000153237823 307768871 /nfs/dbraw/zinc/76/88/71/307768871.db2.gz ZOTSPMADYGCSOW-ZIAGYGMSSA-N 2 2 330.394 3.324 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248608126 308006961 /nfs/dbraw/zinc/00/69/61/308006961.db2.gz VXGUTBPRMFCFSZ-MUGJNUQGSA-N 2 2 349.563 3.074 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248608126 308006963 /nfs/dbraw/zinc/00/69/63/308006963.db2.gz VXGUTBPRMFCFSZ-MUGJNUQGSA-N 2 2 349.563 3.074 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255414658 308049777 /nfs/dbraw/zinc/04/97/77/308049777.db2.gz BDISNDZHTMGOMQ-BBIZLLLXSA-N 2 2 347.934 3.455 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255414658 308049779 /nfs/dbraw/zinc/04/97/79/308049779.db2.gz BDISNDZHTMGOMQ-BBIZLLLXSA-N 2 2 347.934 3.455 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000414443880 309080500 /nfs/dbraw/zinc/08/05/00/309080500.db2.gz JPFSQYWXNVLKAW-UHFFFAOYSA-N 2 2 342.462 3.426 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000293498486 308136651 /nfs/dbraw/zinc/13/66/51/308136651.db2.gz HCQKDJNBIPSJAJ-HNAYVOBHSA-N 2 2 338.467 3.061 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000293498486 308136652 /nfs/dbraw/zinc/13/66/52/308136652.db2.gz HCQKDJNBIPSJAJ-HNAYVOBHSA-N 2 2 338.467 3.061 10 0 EGAELP COC(=O)CCC[NH+]1CCC(Nc2ccc(C3CCC3)c[nH+]2)CC1 ZINC000293936162 308175440 /nfs/dbraw/zinc/17/54/40/308175440.db2.gz HTHKREUYDTXGTG-UHFFFAOYSA-N 2 2 331.460 3.179 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(Br)s2)C[C@@H]1n1cc[nH+]c1 ZINC000294904787 308270029 /nfs/dbraw/zinc/27/00/29/308270029.db2.gz HPZZOWGLILNEHA-JQWIXIFHSA-N 2 2 341.278 3.185 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068725 308287797 /nfs/dbraw/zinc/28/77/97/308287797.db2.gz ZVEXDKWEAPYCPP-BBRMVZONSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068725 308287798 /nfs/dbraw/zinc/28/77/98/308287798.db2.gz ZVEXDKWEAPYCPP-BBRMVZONSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068725 308287799 /nfs/dbraw/zinc/28/77/99/308287799.db2.gz ZVEXDKWEAPYCPP-BBRMVZONSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000295068725 308287800 /nfs/dbraw/zinc/28/78/00/308287800.db2.gz ZVEXDKWEAPYCPP-BBRMVZONSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CCN(c2ccccc2N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000297064004 308495202 /nfs/dbraw/zinc/49/52/02/308495202.db2.gz WDEZNXPXNNYQPB-NVXWUHKLSA-N 2 2 325.460 3.143 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414760987 309099261 /nfs/dbraw/zinc/09/92/61/309099261.db2.gz ZPYSXTZCGXGDGC-HXUWFJFHSA-N 3 2 329.532 3.348 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414760987 309099262 /nfs/dbraw/zinc/09/92/62/309099262.db2.gz ZPYSXTZCGXGDGC-HXUWFJFHSA-N 3 2 329.532 3.348 10 0 EGAELP CCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1OC(F)F ZINC000414824498 309104014 /nfs/dbraw/zinc/10/40/14/309104014.db2.gz AQBFMFKZAQQFPZ-HNNXBMFYSA-N 2 2 336.382 3.476 10 0 EGAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc3c(cnn3C(C)C)c1)CCC2 ZINC000329279381 308780128 /nfs/dbraw/zinc/78/01/28/308780128.db2.gz MLPPORDAOVDITB-INIZCTEOSA-N 2 2 338.459 3.184 10 0 EGAELP C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@@H+]1C ZINC000413165772 309019127 /nfs/dbraw/zinc/01/91/27/309019127.db2.gz SPTWAUHZQHVAKC-FZMZJTMJSA-N 2 2 334.261 3.314 10 0 EGAELP C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@H+]1C ZINC000413165772 309019128 /nfs/dbraw/zinc/01/91/28/309019128.db2.gz SPTWAUHZQHVAKC-FZMZJTMJSA-N 2 2 334.261 3.314 10 0 EGAELP c1ccc(CCC(CCc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000415098036 309120224 /nfs/dbraw/zinc/12/02/24/309120224.db2.gz URXFTULYFCBIQO-JOCHJYFZSA-N 2 2 338.495 3.199 10 0 EGAELP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CCCCO1 ZINC000420942893 309303145 /nfs/dbraw/zinc/30/31/45/309303145.db2.gz VWEXRASVVMVEDS-NRFANRHFSA-N 2 2 346.515 3.300 10 0 EGAELP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CCCCO1 ZINC000420942893 309303146 /nfs/dbraw/zinc/30/31/46/309303146.db2.gz VWEXRASVVMVEDS-NRFANRHFSA-N 2 2 346.515 3.300 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422734159 309365772 /nfs/dbraw/zinc/36/57/72/309365772.db2.gz SCHQVDGTGDUTMY-VQTJNVASSA-N 2 2 328.431 3.460 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422746463 309366355 /nfs/dbraw/zinc/36/63/55/309366355.db2.gz WPCOKQWRBOJNHV-NHCUHLMSSA-N 3 2 345.531 3.200 10 0 EGAELP COc1ccc([C@H](NCc2[nH+]ccn2CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780614 309367933 /nfs/dbraw/zinc/36/79/33/309367933.db2.gz JMKNBRHMYOJSKN-QUCCMNQESA-N 2 2 342.487 3.131 10 0 EGAELP Clc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422910330 309375889 /nfs/dbraw/zinc/37/58/89/309375889.db2.gz QIWYVMARNMIADA-QZTJIDSGSA-N 2 2 334.891 3.118 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(O)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422986158 309379672 /nfs/dbraw/zinc/37/96/72/309379672.db2.gz GNWDUBNIQCAPKR-PMACEKPBSA-N 2 2 326.440 3.026 10 0 EGAELP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422992207 309379759 /nfs/dbraw/zinc/37/97/59/309379759.db2.gz CFWDQJBOXGXPSF-KVPLUYHFSA-N 2 2 332.488 3.042 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422997139 309380180 /nfs/dbraw/zinc/38/01/80/309380180.db2.gz ANWUGPNXSZYEMC-QYZOEREBSA-N 2 2 334.504 3.121 10 0 EGAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000423062540 309383693 /nfs/dbraw/zinc/38/36/93/309383693.db2.gz UMYFAGSVQAXXQP-JLZZUVOBSA-N 2 2 342.405 3.166 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423183989 309389472 /nfs/dbraw/zinc/38/94/72/309389472.db2.gz HDLPUUPOVZOWJS-QGZVFWFLSA-N 3 2 349.482 3.406 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)nnn1-c1ccccc1 ZINC000423207616 309390513 /nfs/dbraw/zinc/39/05/13/309390513.db2.gz XSSKUSAIURFZRD-OAHLLOKOSA-N 2 2 327.476 3.278 10 0 EGAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1F ZINC000423229154 309391357 /nfs/dbraw/zinc/39/13/57/309391357.db2.gz GNBWXIHJLSLBPD-QGZVFWFLSA-N 2 2 332.398 3.333 10 0 EGAELP Fc1cc2c(c(F)c1F)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423236213 309391766 /nfs/dbraw/zinc/39/17/66/309391766.db2.gz RURWWQWOMFNELS-CQSZACIVSA-N 2 2 348.372 3.008 10 0 EGAELP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423324323 309395120 /nfs/dbraw/zinc/39/51/20/309395120.db2.gz KOUDLTRMFWPSKY-SFYZADRCSA-N 2 2 336.071 3.209 10 0 EGAELP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423382269 309397982 /nfs/dbraw/zinc/39/79/82/309397982.db2.gz OFGPOJLNPMCFLK-RISCZKNCSA-N 2 2 327.266 3.250 10 0 EGAELP CC[NH+]1CCN(c2ccccc2NCc2c[nH+]cn2C(C)C)CC1 ZINC000424157192 309431368 /nfs/dbraw/zinc/43/13/68/309431368.db2.gz MTRDUCLULXWTDS-UHFFFAOYSA-N 2 2 327.476 3.218 10 0 EGAELP CC(C)n1c[nH+]cc1CN(CCCc1ccccc1)CC[NH+](C)C ZINC000425390172 309477801 /nfs/dbraw/zinc/47/78/01/309477801.db2.gz YEOUSFXTTYCJKM-UHFFFAOYSA-N 2 2 328.504 3.460 10 0 EGAELP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449022498 310030022 /nfs/dbraw/zinc/03/00/22/310030022.db2.gz XZODTHWFCOPCTA-UHFFFAOYSA-N 2 2 339.418 3.329 10 0 EGAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449035925 310031795 /nfs/dbraw/zinc/03/17/95/310031795.db2.gz QOXIVPPMULHLKE-GFCCVEGCSA-N 2 2 337.439 3.472 10 0 EGAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449035925 310031796 /nfs/dbraw/zinc/03/17/96/310031796.db2.gz QOXIVPPMULHLKE-GFCCVEGCSA-N 2 2 337.439 3.472 10 0 EGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449102729 310037214 /nfs/dbraw/zinc/03/72/14/310037214.db2.gz LEWGYENQRDYTNA-QMTHXVAHSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449102729 310037215 /nfs/dbraw/zinc/03/72/15/310037215.db2.gz LEWGYENQRDYTNA-QMTHXVAHSA-N 2 2 327.241 3.259 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449115802 310038184 /nfs/dbraw/zinc/03/81/84/310038184.db2.gz JASFGSWXAJFHMR-IBGZPJMESA-N 2 2 328.456 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449115802 310038185 /nfs/dbraw/zinc/03/81/85/310038185.db2.gz JASFGSWXAJFHMR-IBGZPJMESA-N 2 2 328.456 3.049 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449386521 310058119 /nfs/dbraw/zinc/05/81/19/310058119.db2.gz ITQHNOXYRAXCSD-NZSAHSFTSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449386521 310058120 /nfs/dbraw/zinc/05/81/20/310058120.db2.gz ITQHNOXYRAXCSD-NZSAHSFTSA-N 2 2 336.907 3.413 10 0 EGAELP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000449491998 310066398 /nfs/dbraw/zinc/06/63/98/310066398.db2.gz IHNLVNZQFORDEO-GDBMZVCRSA-N 2 2 336.442 3.444 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)CCOCC1 ZINC000453093080 310257363 /nfs/dbraw/zinc/25/73/63/310257363.db2.gz SMYDWZVMWWRPAE-QZTJIDSGSA-N 2 2 326.525 3.061 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2cnccn2)c(C)c1 ZINC000453162047 310261634 /nfs/dbraw/zinc/26/16/34/310261634.db2.gz BSLQPCZQFYIYGT-PXNSSMCTSA-N 2 2 335.455 3.252 10 0 EGAELP Clc1cccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000487988329 311046228 /nfs/dbraw/zinc/04/62/28/311046228.db2.gz NHMFQUVBZCXYGI-UHFFFAOYSA-N 2 2 333.907 3.336 10 0 EGAELP COc1ccccc1-c1ncc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000490581382 311145905 /nfs/dbraw/zinc/14/59/05/311145905.db2.gz RXONNEHWEDORHS-UHFFFAOYSA-N 2 2 340.471 3.118 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657190 312122415 /nfs/dbraw/zinc/12/24/15/312122415.db2.gz IVTTWHNGRZLFOJ-RTBURBONSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657190 312122417 /nfs/dbraw/zinc/12/24/17/312122417.db2.gz IVTTWHNGRZLFOJ-RTBURBONSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509657190 312122420 /nfs/dbraw/zinc/12/24/20/312122420.db2.gz IVTTWHNGRZLFOJ-RTBURBONSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657190 312122422 /nfs/dbraw/zinc/12/24/22/312122422.db2.gz IVTTWHNGRZLFOJ-RTBURBONSA-N 2 2 332.488 3.028 10 0 EGAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000527930899 312976267 /nfs/dbraw/zinc/97/62/67/312976267.db2.gz JUECIPGSJRDPIG-SFHVURJKSA-N 2 2 325.456 3.316 10 0 EGAELP Cc1cc(C)cc(OCCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528730665 313157787 /nfs/dbraw/zinc/15/77/87/313157787.db2.gz NUFKXWQXOVIUGD-UHFFFAOYSA-N 2 2 346.515 3.259 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140932 314364845 /nfs/dbraw/zinc/36/48/45/314364845.db2.gz BCMZMUSCSKHREF-YWZLYKJASA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140932 314364848 /nfs/dbraw/zinc/36/48/48/314364848.db2.gz BCMZMUSCSKHREF-YWZLYKJASA-N 2 2 328.431 3.444 10 0 EGAELP CC(C)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(F)(F)F ZINC000548932855 315064115 /nfs/dbraw/zinc/06/41/15/315064115.db2.gz VNHQQPDUDJGNNC-UHFFFAOYSA-N 2 2 336.321 3.211 10 0 EGAELP C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000552035255 315191389 /nfs/dbraw/zinc/19/13/89/315191389.db2.gz QIRVXRWZVQSMNT-KZNAEPCWSA-N 2 2 344.503 3.185 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987027 316242003 /nfs/dbraw/zinc/24/20/03/316242003.db2.gz MFIGXZAJIXPDBX-KUHUBIRLSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987027 316242004 /nfs/dbraw/zinc/24/20/04/316242004.db2.gz MFIGXZAJIXPDBX-KUHUBIRLSA-N 2 2 344.434 3.321 10 0 EGAELP CC[N@H+](CCc1c[nH+]cn1C)Cc1cc(Br)ccc1F ZINC000297760614 456288070 /nfs/dbraw/zinc/28/80/70/456288070.db2.gz LNTBQVAYFPTZJX-UHFFFAOYSA-N 2 2 340.240 3.386 10 0 EGAELP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cc(Br)ccc1F ZINC000297760614 456288074 /nfs/dbraw/zinc/28/80/74/456288074.db2.gz LNTBQVAYFPTZJX-UHFFFAOYSA-N 2 2 340.240 3.386 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000350756445 324117764 /nfs/dbraw/zinc/11/77/64/324117764.db2.gz KRACDPAJUCBOHT-KBPBESRZSA-N 2 2 339.443 3.343 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000580533732 325263885 /nfs/dbraw/zinc/26/38/85/325263885.db2.gz LIZYIBIGMSQDJO-CBBWQLFWSA-N 2 2 326.444 3.380 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000580533732 325263888 /nfs/dbraw/zinc/26/38/88/325263888.db2.gz LIZYIBIGMSQDJO-CBBWQLFWSA-N 2 2 326.444 3.380 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000581670084 325381490 /nfs/dbraw/zinc/38/14/90/325381490.db2.gz RCYAKCQPNFLVTG-UHFFFAOYSA-N 2 2 334.423 3.129 10 0 EGAELP Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000581693947 325382815 /nfs/dbraw/zinc/38/28/15/325382815.db2.gz WHADEYWSVFJXBY-OAHLLOKOSA-N 2 2 329.429 3.352 10 0 EGAELP Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000581693947 325382816 /nfs/dbraw/zinc/38/28/16/325382816.db2.gz WHADEYWSVFJXBY-OAHLLOKOSA-N 2 2 329.429 3.352 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157685702 455220741 /nfs/dbraw/zinc/22/07/41/455220741.db2.gz VPMRSLMSSYYCGX-AZUAARDMSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000157685702 455220743 /nfs/dbraw/zinc/22/07/43/455220743.db2.gz VPMRSLMSSYYCGX-AZUAARDMSA-N 2 2 326.488 3.306 10 0 EGAELP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672116 455223308 /nfs/dbraw/zinc/22/33/08/455223308.db2.gz LHQUGPLZWXTKHF-CQSZACIVSA-N 2 2 338.386 3.301 10 0 EGAELP CCCc1noc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183148436 455238749 /nfs/dbraw/zinc/23/87/49/455238749.db2.gz CUMQLGPYJCZMBC-CYBMUJFWSA-N 2 2 325.416 3.367 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476811 459095673 /nfs/dbraw/zinc/09/56/73/459095673.db2.gz PGCLWBXVLQCULL-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000484925715 459435626 /nfs/dbraw/zinc/43/56/26/459435626.db2.gz OQRQNOCGTAZTKT-MOPGFXCFSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000484925715 459435631 /nfs/dbraw/zinc/43/56/31/459435631.db2.gz OQRQNOCGTAZTKT-MOPGFXCFSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484925715 459435636 /nfs/dbraw/zinc/43/56/36/459435636.db2.gz OQRQNOCGTAZTKT-MOPGFXCFSA-N 2 2 339.568 3.322 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000484925715 459435640 /nfs/dbraw/zinc/43/56/40/459435640.db2.gz OQRQNOCGTAZTKT-MOPGFXCFSA-N 2 2 339.568 3.322 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180948404 455268557 /nfs/dbraw/zinc/26/85/57/455268557.db2.gz MGYCWWPHGDVQJT-BXUZGUMPSA-N 2 2 327.266 3.030 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180948404 455268559 /nfs/dbraw/zinc/26/85/59/455268559.db2.gz MGYCWWPHGDVQJT-BXUZGUMPSA-N 2 2 327.266 3.030 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623445893 460554732 /nfs/dbraw/zinc/55/47/32/460554732.db2.gz IVFBRPNLUMSHSA-ABAIWWIYSA-N 2 2 346.368 3.339 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511288 460588967 /nfs/dbraw/zinc/58/89/67/460588967.db2.gz IWFHHBOGFQRTDW-AAEUAGOBSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000623511288 460588974 /nfs/dbraw/zinc/58/89/74/460588974.db2.gz IWFHHBOGFQRTDW-AAEUAGOBSA-N 2 2 326.282 3.368 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889669 460589048 /nfs/dbraw/zinc/58/90/48/460589048.db2.gz LEBCCHISJXULNC-UKRRQHHQSA-N 2 2 328.378 3.202 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889669 460589056 /nfs/dbraw/zinc/58/90/56/460589056.db2.gz LEBCCHISJXULNC-UKRRQHHQSA-N 2 2 328.378 3.202 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886725 460590200 /nfs/dbraw/zinc/59/02/00/460590200.db2.gz LSBCKKMBIMLXOD-MSOLQXFVSA-N 2 2 340.471 3.434 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886725 460590205 /nfs/dbraw/zinc/59/02/05/460590205.db2.gz LSBCKKMBIMLXOD-MSOLQXFVSA-N 2 2 340.471 3.434 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000245712568 455363272 /nfs/dbraw/zinc/36/32/72/455363272.db2.gz CMXBDOBLJSVYNC-UZLBHIALSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000245712568 455363277 /nfs/dbraw/zinc/36/32/77/455363277.db2.gz CMXBDOBLJSVYNC-UZLBHIALSA-N 2 2 335.455 3.460 10 0 EGAELP C[NH+](C)CC(=O)Nc1cccc(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000095425753 454209087 /nfs/dbraw/zinc/20/90/87/454209087.db2.gz BIHUIQXZFRSZOE-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000095440045 454213020 /nfs/dbraw/zinc/21/30/20/454213020.db2.gz LZSVSYRZCLXUGP-LBPRGKRZSA-N 2 2 327.325 3.454 10 0 EGAELP Cc1cc(C)c(C[S@@](=O)Cc2[nH+]ccn2CC(F)(F)F)c(C)[nH+]1 ZINC000600900540 460634848 /nfs/dbraw/zinc/63/48/48/460634848.db2.gz JBBWRCOTDZMHQL-HSZRJFAPSA-N 2 2 345.390 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143759 454461925 /nfs/dbraw/zinc/46/19/25/454461925.db2.gz KMKKFCWENPXVTK-QRWLVFNGSA-N 2 2 344.886 3.410 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143759 454461929 /nfs/dbraw/zinc/46/19/29/454461929.db2.gz KMKKFCWENPXVTK-QRWLVFNGSA-N 2 2 344.886 3.410 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091959710 454495067 /nfs/dbraw/zinc/49/50/67/454495067.db2.gz BZJVBPSSQFAOIJ-GDBMZVCRSA-N 2 2 333.505 3.269 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091959710 454495070 /nfs/dbraw/zinc/49/50/70/454495070.db2.gz BZJVBPSSQFAOIJ-GDBMZVCRSA-N 2 2 333.505 3.269 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000091960465 454496016 /nfs/dbraw/zinc/49/60/16/454496016.db2.gz CMXBDOBLJSVYNC-OXJNMPFZSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000091960465 454496021 /nfs/dbraw/zinc/49/60/21/454496021.db2.gz CMXBDOBLJSVYNC-OXJNMPFZSA-N 2 2 335.455 3.460 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000122084812 454508099 /nfs/dbraw/zinc/50/80/99/454508099.db2.gz PMJXCBOPYJJNMU-OAHLLOKOSA-N 2 2 327.403 3.228 10 0 EGAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000122084812 454508105 /nfs/dbraw/zinc/50/81/05/454508105.db2.gz PMJXCBOPYJJNMU-OAHLLOKOSA-N 2 2 327.403 3.228 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192663 454613390 /nfs/dbraw/zinc/61/33/90/454613390.db2.gz XTBXXSNAICDPPG-IHPCNDPISA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192663 454613393 /nfs/dbraw/zinc/61/33/93/454613393.db2.gz XTBXXSNAICDPPG-IHPCNDPISA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192663 454613394 /nfs/dbraw/zinc/61/33/94/454613394.db2.gz XTBXXSNAICDPPG-IHPCNDPISA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192663 454613395 /nfs/dbraw/zinc/61/33/95/454613395.db2.gz XTBXXSNAICDPPG-IHPCNDPISA-N 2 2 345.531 3.305 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123193086 454613455 /nfs/dbraw/zinc/61/34/55/454613455.db2.gz UUJAMNNYLQIBEH-QAPCUYQASA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123193086 454613457 /nfs/dbraw/zinc/61/34/57/454613457.db2.gz UUJAMNNYLQIBEH-QAPCUYQASA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123193086 454613459 /nfs/dbraw/zinc/61/34/59/454613459.db2.gz UUJAMNNYLQIBEH-QAPCUYQASA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123193086 454613461 /nfs/dbraw/zinc/61/34/61/454613461.db2.gz UUJAMNNYLQIBEH-QAPCUYQASA-N 2 2 331.504 3.164 10 0 EGAELP Clc1nc2ccccn2c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812466 454637721 /nfs/dbraw/zinc/63/77/21/454637721.db2.gz DCSVRRZRFQDMIT-CQSZACIVSA-N 2 2 341.846 3.317 10 0 EGAELP Clc1nc2ccccn2c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812466 454637724 /nfs/dbraw/zinc/63/77/24/454637724.db2.gz DCSVRRZRFQDMIT-CQSZACIVSA-N 2 2 341.846 3.317 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1OC ZINC000092812691 454637775 /nfs/dbraw/zinc/63/77/75/454637775.db2.gz QINNHTXWIQSUCM-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1OC ZINC000092812691 454637777 /nfs/dbraw/zinc/63/77/77/454637777.db2.gz QINNHTXWIQSUCM-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959895 454657442 /nfs/dbraw/zinc/65/74/42/454657442.db2.gz BFYKUBWYDDYHGZ-KRWDZBQOSA-N 2 2 340.471 3.353 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959895 454657447 /nfs/dbraw/zinc/65/74/47/454657447.db2.gz BFYKUBWYDDYHGZ-KRWDZBQOSA-N 2 2 340.471 3.353 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000105896245 454666539 /nfs/dbraw/zinc/66/65/39/454666539.db2.gz OOSIUWSCXFOBBK-KRWDZBQOSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000105896245 454666541 /nfs/dbraw/zinc/66/65/41/454666541.db2.gz OOSIUWSCXFOBBK-KRWDZBQOSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000152917094 454741877 /nfs/dbraw/zinc/74/18/77/454741877.db2.gz NGAJOWBMAIFIMO-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000152917094 454741882 /nfs/dbraw/zinc/74/18/82/454741882.db2.gz NGAJOWBMAIFIMO-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000163399894 454844481 /nfs/dbraw/zinc/84/44/81/454844481.db2.gz MWVIBNWBRBLPOB-CJNGLKHVSA-N 2 2 330.394 3.467 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000163399894 454844486 /nfs/dbraw/zinc/84/44/86/454844486.db2.gz MWVIBNWBRBLPOB-CJNGLKHVSA-N 2 2 330.394 3.467 10 0 EGAELP COc1cccc2c(NC[C@H](c3cnn(C)c3)[NH+](C)C)cc(C)[nH+]c12 ZINC000126672367 454910431 /nfs/dbraw/zinc/91/04/31/454910431.db2.gz QQGNBNPBWPKLHB-QGZVFWFLSA-N 2 2 339.443 3.000 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000178310200 454947521 /nfs/dbraw/zinc/94/75/21/454947521.db2.gz QWMLRHUNSVRQOW-HNNXBMFYSA-N 2 2 335.249 3.014 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1 ZINC000178310200 454947524 /nfs/dbraw/zinc/94/75/24/454947524.db2.gz QWMLRHUNSVRQOW-HNNXBMFYSA-N 2 2 335.249 3.014 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000178311590 454947296 /nfs/dbraw/zinc/94/72/96/454947296.db2.gz SLMJBSNGLLWKQF-FQEVSTJZSA-N 2 2 327.472 3.305 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000178311590 454947301 /nfs/dbraw/zinc/94/73/01/454947301.db2.gz SLMJBSNGLLWKQF-FQEVSTJZSA-N 2 2 327.472 3.305 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178326200 454949017 /nfs/dbraw/zinc/94/90/17/454949017.db2.gz PVVXIAXGLDLRQD-MRXNPFEDSA-N 2 2 344.484 3.017 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178326200 454949022 /nfs/dbraw/zinc/94/90/22/454949022.db2.gz PVVXIAXGLDLRQD-MRXNPFEDSA-N 2 2 344.484 3.017 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000178754319 454973110 /nfs/dbraw/zinc/97/31/10/454973110.db2.gz OPGYNMIOIOHHGD-HNNXBMFYSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000178754319 454973114 /nfs/dbraw/zinc/97/31/14/454973114.db2.gz OPGYNMIOIOHHGD-HNNXBMFYSA-N 2 2 346.862 3.256 10 0 EGAELP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151533875 454998481 /nfs/dbraw/zinc/99/84/81/454998481.db2.gz QPUKBAYRDJEFJR-LJQANCHMSA-N 2 2 334.423 3.443 10 0 EGAELP Cc1cc(NC2CCC(C[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000128140652 455029317 /nfs/dbraw/zinc/02/93/17/455029317.db2.gz UCOCKDZETGCPQI-UHFFFAOYSA-N 2 2 325.460 3.379 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000171613153 455081007 /nfs/dbraw/zinc/08/10/07/455081007.db2.gz DGVQWHSSDHYMSM-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000171613153 455081010 /nfs/dbraw/zinc/08/10/10/455081010.db2.gz DGVQWHSSDHYMSM-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000171634968 455082379 /nfs/dbraw/zinc/08/23/79/455082379.db2.gz DZTYGYPBSNTMEI-QGZVFWFLSA-N 2 2 341.455 3.364 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2C(C)=O)C1 ZINC000171634968 455082381 /nfs/dbraw/zinc/08/23/81/455082381.db2.gz DZTYGYPBSNTMEI-QGZVFWFLSA-N 2 2 341.455 3.364 10 0 EGAELP CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000172001741 455107531 /nfs/dbraw/zinc/10/75/31/455107531.db2.gz XSNYHHJQMQYYAU-INIZCTEOSA-N 2 2 325.412 3.088 10 0 EGAELP CC[N@H+]1CCC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000172001741 455107537 /nfs/dbraw/zinc/10/75/37/455107537.db2.gz XSNYHHJQMQYYAU-INIZCTEOSA-N 2 2 325.412 3.088 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000245469829 455309425 /nfs/dbraw/zinc/30/94/25/455309425.db2.gz MFPVWHDYNJSBSQ-DZGCQCFKSA-N 2 2 334.489 3.447 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000245469829 455309430 /nfs/dbraw/zinc/30/94/30/455309430.db2.gz MFPVWHDYNJSBSQ-DZGCQCFKSA-N 2 2 334.489 3.447 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000158990705 455343563 /nfs/dbraw/zinc/34/35/63/455343563.db2.gz LYJBGKOAYYADSN-UTKZUKDTSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000158990705 455343566 /nfs/dbraw/zinc/34/35/66/455343566.db2.gz LYJBGKOAYYADSN-UTKZUKDTSA-N 2 2 339.483 3.133 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000174284284 455377138 /nfs/dbraw/zinc/37/71/38/455377138.db2.gz NLHGIGOWKTYILM-JSGCOSHPSA-N 2 2 347.413 3.116 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000185204606 455520367 /nfs/dbraw/zinc/52/03/67/455520367.db2.gz ZIFJVMQVAFUTCN-FUHWJXTLSA-N 2 2 334.504 3.361 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)c1ccccc1 ZINC000247338202 455589618 /nfs/dbraw/zinc/58/96/18/455589618.db2.gz ZNYRTUJFRJLTLJ-YZGWKJHDSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)c1ccccc1 ZINC000247338202 455589619 /nfs/dbraw/zinc/58/96/19/455589619.db2.gz ZNYRTUJFRJLTLJ-YZGWKJHDSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000247338202 455589621 /nfs/dbraw/zinc/58/96/21/455589621.db2.gz ZNYRTUJFRJLTLJ-YZGWKJHDSA-N 2 2 345.531 3.306 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000247338202 455589624 /nfs/dbraw/zinc/58/96/24/455589624.db2.gz ZNYRTUJFRJLTLJ-YZGWKJHDSA-N 2 2 345.531 3.306 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247681955 455636877 /nfs/dbraw/zinc/63/68/77/455636877.db2.gz RUKKTAMTOJMFPM-CZUORRHYSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247681955 455636880 /nfs/dbraw/zinc/63/68/80/455636880.db2.gz RUKKTAMTOJMFPM-CZUORRHYSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000248383495 455709819 /nfs/dbraw/zinc/70/98/19/455709819.db2.gz AHUHHVZJPHGUPQ-IAGOWNOFSA-N 2 2 334.479 3.332 10 0 EGAELP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000248383495 455709825 /nfs/dbraw/zinc/70/98/25/455709825.db2.gz AHUHHVZJPHGUPQ-IAGOWNOFSA-N 2 2 334.479 3.332 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249808642 455777159 /nfs/dbraw/zinc/77/71/59/455777159.db2.gz BZXRNPBRAIAPSZ-KGLIPLIRSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249808642 455777160 /nfs/dbraw/zinc/77/71/60/455777160.db2.gz BZXRNPBRAIAPSZ-KGLIPLIRSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000252486161 455810321 /nfs/dbraw/zinc/81/03/21/455810321.db2.gz GCOIHYJYYXLWCG-YLJYHZDGSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000252486161 455810323 /nfs/dbraw/zinc/81/03/23/455810323.db2.gz GCOIHYJYYXLWCG-YLJYHZDGSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2cnccn12 ZINC000252486161 455810326 /nfs/dbraw/zinc/81/03/26/455810326.db2.gz GCOIHYJYYXLWCG-YLJYHZDGSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2cnccn12 ZINC000252486161 455810328 /nfs/dbraw/zinc/81/03/28/455810328.db2.gz GCOIHYJYYXLWCG-YLJYHZDGSA-N 2 2 349.482 3.072 10 0 EGAELP FC1(F)CC(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000295699890 455857707 /nfs/dbraw/zinc/85/77/07/455857707.db2.gz FDRNTIRNBATEHZ-OAHLLOKOSA-N 2 2 337.414 3.180 10 0 EGAELP FC1(F)CC(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000295699890 455857711 /nfs/dbraw/zinc/85/77/11/455857711.db2.gz FDRNTIRNBATEHZ-OAHLLOKOSA-N 2 2 337.414 3.180 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC3Cc4ccccc4C3)[nH+]c2)CC1 ZINC000272159171 455862653 /nfs/dbraw/zinc/86/26/53/455862653.db2.gz BNGLWUWUKBBJOT-UHFFFAOYSA-N 2 2 336.483 3.191 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000195259933 455938634 /nfs/dbraw/zinc/93/86/34/455938634.db2.gz OQKOJVXTJVJMFD-JKSUJKDBSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000195259933 455938637 /nfs/dbraw/zinc/93/86/37/455938637.db2.gz OQKOJVXTJVJMFD-JKSUJKDBSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000195259933 455938639 /nfs/dbraw/zinc/93/86/39/455938639.db2.gz OQKOJVXTJVJMFD-JKSUJKDBSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccn2)C1 ZINC000195259933 455938641 /nfs/dbraw/zinc/93/86/41/455938641.db2.gz OQKOJVXTJVJMFD-JKSUJKDBSA-N 2 2 330.501 3.361 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000195515697 455974830 /nfs/dbraw/zinc/97/48/30/455974830.db2.gz LCMNLNQUCPRQMI-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000195515697 455974833 /nfs/dbraw/zinc/97/48/33/455974833.db2.gz LCMNLNQUCPRQMI-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161582 456149623 /nfs/dbraw/zinc/14/96/23/456149623.db2.gz AXQZPDTZIYBNAS-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161582 456149628 /nfs/dbraw/zinc/14/96/28/456149628.db2.gz AXQZPDTZIYBNAS-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161582 456149631 /nfs/dbraw/zinc/14/96/31/456149631.db2.gz AXQZPDTZIYBNAS-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161582 456149636 /nfs/dbraw/zinc/14/96/36/456149636.db2.gz AXQZPDTZIYBNAS-XJKSGUPXSA-N 2 2 334.895 3.389 10 0 EGAELP Cc1cn2cc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)ccc2[nH+]1 ZINC000263808408 456229200 /nfs/dbraw/zinc/22/92/00/456229200.db2.gz YTXAQZZRBULZSK-UHFFFAOYSA-N 2 2 334.423 3.491 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000189185539 456248740 /nfs/dbraw/zinc/24/87/40/456248740.db2.gz GWMSKSVHDWZBIP-UHFFFAOYSA-N 2 2 346.228 3.395 10 0 EGAELP Brc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000290182198 456261468 /nfs/dbraw/zinc/26/14/68/456261468.db2.gz ZHKIFOQSFLZDIM-UHFFFAOYSA-N 2 2 327.251 3.008 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935828 456366072 /nfs/dbraw/zinc/36/60/72/456366072.db2.gz DRILAVMBBAQKAW-HKUYNNGSSA-N 2 2 325.456 3.132 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281935828 456366078 /nfs/dbraw/zinc/36/60/78/456366078.db2.gz DRILAVMBBAQKAW-HKUYNNGSSA-N 2 2 325.456 3.132 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000302817643 456409100 /nfs/dbraw/zinc/40/91/00/456409100.db2.gz IVIKZKNIVKRYEU-FXAWDEMLSA-N 2 2 337.471 3.324 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000302817643 456409107 /nfs/dbraw/zinc/40/91/07/456409107.db2.gz IVIKZKNIVKRYEU-FXAWDEMLSA-N 2 2 337.471 3.324 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000298517037 456479265 /nfs/dbraw/zinc/47/92/65/456479265.db2.gz LAIGMQDYZQFKBJ-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000298517037 456479270 /nfs/dbraw/zinc/47/92/70/456479270.db2.gz LAIGMQDYZQFKBJ-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704392 456597679 /nfs/dbraw/zinc/59/76/79/456597679.db2.gz AJTPZHAMBIFRTE-DNVCBOLYSA-N 2 2 341.503 3.046 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704392 456597689 /nfs/dbraw/zinc/59/76/89/456597689.db2.gz AJTPZHAMBIFRTE-DNVCBOLYSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704392 456597694 /nfs/dbraw/zinc/59/76/94/456597694.db2.gz AJTPZHAMBIFRTE-DNVCBOLYSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704392 456597702 /nfs/dbraw/zinc/59/77/02/456597702.db2.gz AJTPZHAMBIFRTE-DNVCBOLYSA-N 2 2 341.503 3.046 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)nc1 ZINC000353288205 456612962 /nfs/dbraw/zinc/61/29/62/456612962.db2.gz GSSDEWSXZPXAOS-DUXKGJEZSA-N 2 2 343.515 3.231 10 0 EGAELP c1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000337986178 456639227 /nfs/dbraw/zinc/63/92/27/456639227.db2.gz BBLOOKYQAQTPGJ-SFTDATJTSA-N 2 2 344.499 3.066 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000348356136 456646683 /nfs/dbraw/zinc/64/66/83/456646683.db2.gz DWJUICJLIXPANP-IHWYPQMZSA-N 2 2 345.393 3.204 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174453 456662244 /nfs/dbraw/zinc/66/22/44/456662244.db2.gz GDYZPSOWJMGQQX-IRXDYDNUSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174453 456662248 /nfs/dbraw/zinc/66/22/48/456662248.db2.gz GDYZPSOWJMGQQX-IRXDYDNUSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CCCCC3)CC2)c[nH+]1 ZINC000353386269 456664856 /nfs/dbraw/zinc/66/48/56/456664856.db2.gz VUFFMWJOVKEZLK-UHFFFAOYSA-N 2 2 329.488 3.047 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645943 456670346 /nfs/dbraw/zinc/67/03/46/456670346.db2.gz VZRDAQYDGSWVPR-GDBMZVCRSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645943 456670352 /nfs/dbraw/zinc/67/03/52/456670352.db2.gz VZRDAQYDGSWVPR-GDBMZVCRSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655617 456671167 /nfs/dbraw/zinc/67/11/67/456671167.db2.gz YSVOHXBHSKHZEB-GOEBONIOSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655617 456671174 /nfs/dbraw/zinc/67/11/74/456671174.db2.gz YSVOHXBHSKHZEB-GOEBONIOSA-N 2 2 346.862 3.354 10 0 EGAELP Fc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000328653094 456729191 /nfs/dbraw/zinc/72/91/91/456729191.db2.gz WTDXETBBIDROLT-MRXNPFEDSA-N 2 2 333.838 3.486 10 0 EGAELP Fc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000328653094 456729195 /nfs/dbraw/zinc/72/91/95/456729195.db2.gz WTDXETBBIDROLT-MRXNPFEDSA-N 2 2 333.838 3.486 10 0 EGAELP Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000301130780 456803538 /nfs/dbraw/zinc/80/35/38/456803538.db2.gz UMOSDDQMLKAWNM-OAHLLOKOSA-N 2 2 325.460 3.381 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H]2CCC[C@H]21 ZINC000353615747 456804688 /nfs/dbraw/zinc/80/46/88/456804688.db2.gz AKWFEMDJFSNHSY-OWCLPIDISA-N 2 2 328.485 3.168 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H]2CCC[C@H]21 ZINC000353615747 456804693 /nfs/dbraw/zinc/80/46/93/456804693.db2.gz AKWFEMDJFSNHSY-OWCLPIDISA-N 2 2 328.485 3.168 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292152077 456869147 /nfs/dbraw/zinc/86/91/47/456869147.db2.gz NQCZRIVUJLSKOH-IERDGZPVSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292152077 456869150 /nfs/dbraw/zinc/86/91/50/456869150.db2.gz NQCZRIVUJLSKOH-IERDGZPVSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292152077 456869154 /nfs/dbraw/zinc/86/91/54/456869154.db2.gz NQCZRIVUJLSKOH-IERDGZPVSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292152077 456869156 /nfs/dbraw/zinc/86/91/56/456869156.db2.gz NQCZRIVUJLSKOH-IERDGZPVSA-N 2 2 343.515 3.339 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356749003 457148047 /nfs/dbraw/zinc/14/80/47/457148047.db2.gz XFXLNVJNYQBXJU-INIZCTEOSA-N 2 2 344.503 3.224 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356749003 457148051 /nfs/dbraw/zinc/14/80/51/457148051.db2.gz XFXLNVJNYQBXJU-INIZCTEOSA-N 2 2 344.503 3.224 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000363319860 457292192 /nfs/dbraw/zinc/29/21/92/457292192.db2.gz RAASYYIHYDVHLS-KRWDZBQOSA-N 2 2 349.523 3.055 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)CC(C)C ZINC000363319860 457292194 /nfs/dbraw/zinc/29/21/94/457292194.db2.gz RAASYYIHYDVHLS-KRWDZBQOSA-N 2 2 349.523 3.055 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000352105781 457337498 /nfs/dbraw/zinc/33/74/98/457337498.db2.gz VRXXWMNWDNJUMN-OALUTQOASA-N 2 2 337.458 3.032 10 0 EGAELP Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000373986100 457427271 /nfs/dbraw/zinc/42/72/71/457427271.db2.gz NLTILSNIOATHQI-UHFFFAOYSA-N 2 2 337.471 3.159 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000390848711 457447385 /nfs/dbraw/zinc/44/73/85/457447385.db2.gz HMKAKTOLCXOICI-FQEVSTJZSA-N 2 2 334.467 3.344 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000390848711 457447390 /nfs/dbraw/zinc/44/73/90/457447390.db2.gz HMKAKTOLCXOICI-FQEVSTJZSA-N 2 2 334.467 3.344 10 0 EGAELP C[S@@](=O)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000360972433 457478505 /nfs/dbraw/zinc/47/85/05/457478505.db2.gz ACJNBECKYUUEBH-GAJHUEQPSA-N 2 2 345.493 3.143 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008449 457493730 /nfs/dbraw/zinc/49/37/30/457493730.db2.gz BVPNCEQZZAPRFS-PXNSSMCTSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008449 457493736 /nfs/dbraw/zinc/49/37/36/457493736.db2.gz BVPNCEQZZAPRFS-PXNSSMCTSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374197507 457517310 /nfs/dbraw/zinc/51/73/10/457517310.db2.gz GJZHEOGLMDXOCI-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000425370567 457524521 /nfs/dbraw/zinc/52/45/21/457524521.db2.gz OOYGRTRBALFERY-RTBURBONSA-N 2 2 347.528 3.093 10 0 EGAELP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320161 457583218 /nfs/dbraw/zinc/58/32/18/457583218.db2.gz GCUIBDKWGPAFDC-JKSUJKDBSA-N 2 2 333.476 3.131 10 0 EGAELP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320161 457583223 /nfs/dbraw/zinc/58/32/23/457583223.db2.gz GCUIBDKWGPAFDC-JKSUJKDBSA-N 2 2 333.476 3.131 10 0 EGAELP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C(F)F)n1 ZINC000361179067 457631603 /nfs/dbraw/zinc/63/16/03/457631603.db2.gz OKMRWOHVUCQTDK-HNNXBMFYSA-N 2 2 340.462 3.446 10 0 EGAELP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C(F)F)n1 ZINC000361179067 457631606 /nfs/dbraw/zinc/63/16/06/457631606.db2.gz OKMRWOHVUCQTDK-HNNXBMFYSA-N 2 2 340.462 3.446 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CC4CCC3CC4)c2cc1C ZINC000433064710 457657340 /nfs/dbraw/zinc/65/73/40/457657340.db2.gz CBWGYTKVNBHKPQ-ZGUYJTEBSA-N 2 2 327.472 3.182 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000357708008 457664392 /nfs/dbraw/zinc/66/43/92/457664392.db2.gz KYOVQYWVCJOOAL-UHFFFAOYSA-N 2 2 332.536 3.390 10 0 EGAELP COC[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000361394836 457715914 /nfs/dbraw/zinc/71/59/14/457715914.db2.gz IRUHZKWKLQXECV-AEFFLSMTSA-N 2 2 345.487 3.251 10 0 EGAELP COC[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000361394836 457715919 /nfs/dbraw/zinc/71/59/19/457715919.db2.gz IRUHZKWKLQXECV-AEFFLSMTSA-N 2 2 345.487 3.251 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701733 457954729 /nfs/dbraw/zinc/95/47/29/457954729.db2.gz YHVFOQNOSUMKTI-TZIWHRDSSA-N 2 2 343.515 3.108 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701733 457954738 /nfs/dbraw/zinc/95/47/38/457954738.db2.gz YHVFOQNOSUMKTI-TZIWHRDSSA-N 2 2 343.515 3.108 10 0 EGAELP O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929765 458013646 /nfs/dbraw/zinc/01/36/46/458013646.db2.gz YCHVPHQUHVSWKM-SFTDATJTSA-N 2 2 333.435 3.239 10 0 EGAELP O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929765 458013649 /nfs/dbraw/zinc/01/36/49/458013649.db2.gz YCHVPHQUHVSWKM-SFTDATJTSA-N 2 2 333.435 3.239 10 0 EGAELP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513194 458042180 /nfs/dbraw/zinc/04/21/80/458042180.db2.gz BGQPLXLZMWQIEO-QUCCMNQESA-N 2 2 339.483 3.441 10 0 EGAELP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513194 458042185 /nfs/dbraw/zinc/04/21/85/458042185.db2.gz BGQPLXLZMWQIEO-QUCCMNQESA-N 2 2 339.483 3.441 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)N(C)Cc3cccs3)CC2)c[nH+]1 ZINC000371737043 458055071 /nfs/dbraw/zinc/05/50/71/458055071.db2.gz ZTSQUETWDUOJAS-UHFFFAOYSA-N 2 2 343.496 3.290 10 0 EGAELP Fc1ccccc1-n1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000376549633 458334742 /nfs/dbraw/zinc/33/47/42/458334742.db2.gz AJMLAJYWUZNLEK-QGZVFWFLSA-N 2 2 338.386 3.060 10 0 EGAELP Fc1ccccc1-n1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000376549633 458334744 /nfs/dbraw/zinc/33/47/44/458334744.db2.gz AJMLAJYWUZNLEK-QGZVFWFLSA-N 2 2 338.386 3.060 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000429726398 458364205 /nfs/dbraw/zinc/36/42/05/458364205.db2.gz REUMSKJTLUIOEV-UHFFFAOYSA-N 2 2 343.402 3.011 10 0 EGAELP COCc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000459430608 458368783 /nfs/dbraw/zinc/36/87/83/458368783.db2.gz LFHLXSDIGIIDCO-CXAGYDPISA-N 2 2 335.473 3.055 10 0 EGAELP COCc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459430608 458368785 /nfs/dbraw/zinc/36/87/85/458368785.db2.gz LFHLXSDIGIIDCO-CXAGYDPISA-N 2 2 335.473 3.055 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439469 458370791 /nfs/dbraw/zinc/37/07/91/458370791.db2.gz TZTXAXCOOOEXNW-HNAYVOBHSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439469 458370793 /nfs/dbraw/zinc/37/07/93/458370793.db2.gz TZTXAXCOOOEXNW-HNAYVOBHSA-N 3 2 333.545 3.347 10 0 EGAELP COCc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)no1 ZINC000459440916 458372209 /nfs/dbraw/zinc/37/22/09/458372209.db2.gz ASNVJXAGZKWZAM-IBGZPJMESA-N 2 2 340.427 3.165 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442694 458372285 /nfs/dbraw/zinc/37/22/85/458372285.db2.gz CSYLZKOHIDKQKT-OAQYLSRUSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442694 458372289 /nfs/dbraw/zinc/37/22/89/458372289.db2.gz CSYLZKOHIDKQKT-OAQYLSRUSA-N 2 2 338.499 3.458 10 0 EGAELP [NH3+]C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423518238 458450318 /nfs/dbraw/zinc/45/03/18/458450318.db2.gz CCYADRJISGWSGA-DLBNGFKZSA-N 2 2 336.483 3.242 10 0 EGAELP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373541759 458524754 /nfs/dbraw/zinc/52/47/54/458524754.db2.gz PHFGMTQOIGBUPO-MRXNPFEDSA-N 2 2 348.535 3.266 10 0 EGAELP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373541759 458524757 /nfs/dbraw/zinc/52/47/57/458524757.db2.gz PHFGMTQOIGBUPO-MRXNPFEDSA-N 2 2 348.535 3.266 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000377799639 458532779 /nfs/dbraw/zinc/53/27/79/458532779.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000377799639 458532783 /nfs/dbraw/zinc/53/27/83/458532783.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799639 458532790 /nfs/dbraw/zinc/53/27/90/458532790.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 3 2 336.483 3.052 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000377799639 458532794 /nfs/dbraw/zinc/53/27/94/458532794.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 3 2 336.483 3.052 10 0 EGAELP Cc1nc2ccc(C[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)cc2s1 ZINC000494322165 458657986 /nfs/dbraw/zinc/65/79/86/458657986.db2.gz FHASESBTZXGGCN-INIZCTEOSA-N 2 2 333.501 3.051 10 0 EGAELP Cc1nc2ccc(C[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)cc2s1 ZINC000494322165 458657990 /nfs/dbraw/zinc/65/79/90/458657990.db2.gz FHASESBTZXGGCN-INIZCTEOSA-N 2 2 333.501 3.051 10 0 EGAELP Cc1ccsc1[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463188906 458680020 /nfs/dbraw/zinc/68/00/20/458680020.db2.gz FUMZJUAMSUZXRG-IBGZPJMESA-N 2 2 344.524 3.387 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000547313129 458718841 /nfs/dbraw/zinc/71/88/41/458718841.db2.gz AKVKKKAXKSWXQZ-GOSISDBHSA-N 2 2 332.488 3.267 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000547313129 458718844 /nfs/dbraw/zinc/71/88/44/458718844.db2.gz AKVKKKAXKSWXQZ-GOSISDBHSA-N 2 2 332.488 3.267 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000474800941 458902618 /nfs/dbraw/zinc/90/26/18/458902618.db2.gz WADPVEUIFNPFEM-VQTJNVASSA-N 2 2 334.479 3.246 10 0 EGAELP COC[C@H](CC(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475343705 458938556 /nfs/dbraw/zinc/93/85/56/458938556.db2.gz ROSAQZYQBAOYOP-PCKAHOCUSA-N 2 2 336.442 3.442 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556840005 459019673 /nfs/dbraw/zinc/01/96/73/459019673.db2.gz KDRGVMRFQYFIFG-QAPCUYQASA-N 2 2 345.397 3.186 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556840005 459019676 /nfs/dbraw/zinc/01/96/76/459019676.db2.gz KDRGVMRFQYFIFG-QAPCUYQASA-N 2 2 345.397 3.186 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532239706 459051858 /nfs/dbraw/zinc/05/18/58/459051858.db2.gz WXAXSWQQZIIQHO-CHWSQXEVSA-N 2 2 343.284 3.451 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532239706 459051864 /nfs/dbraw/zinc/05/18/64/459051864.db2.gz WXAXSWQQZIIQHO-CHWSQXEVSA-N 2 2 343.284 3.451 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235624 459052165 /nfs/dbraw/zinc/05/21/65/459052165.db2.gz IBAHQGGKWIDKHL-JGGQBBKZSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235624 459052187 /nfs/dbraw/zinc/05/21/87/459052187.db2.gz IBAHQGGKWIDKHL-JGGQBBKZSA-N 2 2 330.394 3.403 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557481960 459076636 /nfs/dbraw/zinc/07/66/36/459076636.db2.gz VYOSEBLACHDHLT-AWEZNQCLSA-N 2 2 326.444 3.043 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557481960 459076641 /nfs/dbraw/zinc/07/66/41/459076641.db2.gz VYOSEBLACHDHLT-AWEZNQCLSA-N 2 2 326.444 3.043 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)C2 ZINC000520684204 459084482 /nfs/dbraw/zinc/08/44/82/459084482.db2.gz VFHDPDSMWSJOGV-CQSZACIVSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)CC2 ZINC000520684204 459084485 /nfs/dbraw/zinc/08/44/85/459084485.db2.gz VFHDPDSMWSJOGV-CQSZACIVSA-N 2 2 340.471 3.338 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476293 459094563 /nfs/dbraw/zinc/09/45/63/459094563.db2.gz STUVFPQKNSTSKH-DNVCBOLYSA-N 2 2 329.488 3.245 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476293 459094570 /nfs/dbraw/zinc/09/45/70/459094570.db2.gz STUVFPQKNSTSKH-DNVCBOLYSA-N 2 2 329.488 3.245 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476811 459095670 /nfs/dbraw/zinc/09/56/70/459095670.db2.gz PGCLWBXVLQCULL-XJKSGUPXSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812913 459098114 /nfs/dbraw/zinc/09/81/14/459098114.db2.gz AWNRUORZZJAXQN-FUHWJXTLSA-N 2 2 343.515 3.297 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503721 459102216 /nfs/dbraw/zinc/10/22/16/459102216.db2.gz CFNPGGYCXFCPMV-NHYWBVRUSA-N 2 2 329.257 3.061 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503721 459102220 /nfs/dbraw/zinc/10/22/20/459102220.db2.gz CFNPGGYCXFCPMV-NHYWBVRUSA-N 2 2 329.257 3.061 10 0 EGAELP Cc1ccc(C)c([C@H]2C[N@H+](CCCc3c[nH+]cn3C)[C@H](C)CO2)c1 ZINC000568527029 459303915 /nfs/dbraw/zinc/30/39/15/459303915.db2.gz OERNYWCFRHZZQJ-YLJYHZDGSA-N 2 2 327.472 3.432 10 0 EGAELP Cc1ccc(C)c([C@H]2C[N@@H+](CCCc3c[nH+]cn3C)[C@H](C)CO2)c1 ZINC000568527029 459303917 /nfs/dbraw/zinc/30/39/17/459303917.db2.gz OERNYWCFRHZZQJ-YLJYHZDGSA-N 2 2 327.472 3.432 10 0 EGAELP Cc1c[nH+]c(C)nc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000582132828 459314782 /nfs/dbraw/zinc/31/47/82/459314782.db2.gz ZPKRXYVAPDQIEE-UHFFFAOYSA-N 2 2 344.434 3.188 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000569434404 459449607 /nfs/dbraw/zinc/44/96/07/459449607.db2.gz JXRGTZDPTKHMSZ-UYAOXDASSA-N 3 2 329.532 3.013 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000569434404 459449612 /nfs/dbraw/zinc/44/96/12/459449612.db2.gz JXRGTZDPTKHMSZ-UYAOXDASSA-N 3 2 329.532 3.013 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591866820 459457839 /nfs/dbraw/zinc/45/78/39/459457839.db2.gz GRPKSCDFRUWNME-DLBZAZTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591866820 459457844 /nfs/dbraw/zinc/45/78/44/459457844.db2.gz GRPKSCDFRUWNME-DLBZAZTESA-N 2 2 326.444 3.164 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000596078119 459511074 /nfs/dbraw/zinc/51/10/74/459511074.db2.gz ZVNJWPPAOKWDFW-UHFFFAOYSA-N 2 2 341.455 3.249 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000596078119 459511077 /nfs/dbraw/zinc/51/10/77/459511077.db2.gz ZVNJWPPAOKWDFW-UHFFFAOYSA-N 2 2 341.455 3.249 10 0 EGAELP CC[NH+](CC)CCCC1CCN(c2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000596190571 459555033 /nfs/dbraw/zinc/55/50/33/459555033.db2.gz VGMDNSPGDJHPQP-UHFFFAOYSA-N 2 2 347.503 3.136 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)n1 ZINC000542670645 459581109 /nfs/dbraw/zinc/58/11/09/459581109.db2.gz MWJBDBFXDITGLY-KRWDZBQOSA-N 2 2 329.835 3.039 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000527620141 459672385 /nfs/dbraw/zinc/67/23/85/459672385.db2.gz QRSFHVRBGBISFV-UHFFFAOYSA-N 2 2 333.439 3.344 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000527620141 459672390 /nfs/dbraw/zinc/67/23/90/459672390.db2.gz QRSFHVRBGBISFV-UHFFFAOYSA-N 2 2 333.439 3.344 10 0 EGAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000527657087 459687286 /nfs/dbraw/zinc/68/72/86/459687286.db2.gz HYOBFJMRDCPMHF-SFHVURJKSA-N 2 2 343.902 3.342 10 0 EGAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000527657087 459687290 /nfs/dbraw/zinc/68/72/90/459687290.db2.gz HYOBFJMRDCPMHF-SFHVURJKSA-N 2 2 343.902 3.342 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120618 459717603 /nfs/dbraw/zinc/71/76/03/459717603.db2.gz AJENZUFOUJCFGL-YZGWKJHDSA-N 2 2 339.527 3.398 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CN1C1CC1 ZINC000563120618 459717608 /nfs/dbraw/zinc/71/76/08/459717608.db2.gz AJENZUFOUJCFGL-YZGWKJHDSA-N 2 2 339.527 3.398 10 0 EGAELP Cn1cc[nH+]c1CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527810127 459745320 /nfs/dbraw/zinc/74/53/20/459745320.db2.gz OFIIENXSUZVAMT-CQSZACIVSA-N 2 2 327.259 3.119 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000527812606 459747308 /nfs/dbraw/zinc/74/73/08/459747308.db2.gz VJLKUYSCCSAHRF-IBGZPJMESA-N 2 2 342.462 3.333 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000527812606 459747312 /nfs/dbraw/zinc/74/73/12/459747312.db2.gz VJLKUYSCCSAHRF-IBGZPJMESA-N 2 2 342.462 3.333 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Br)[C@@H]1c1ccccc1 ZINC000501968371 459753368 /nfs/dbraw/zinc/75/33/68/459753368.db2.gz BNJKQPXGYJJGIT-CVEARBPZSA-N 2 2 332.245 3.123 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000574156986 459785592 /nfs/dbraw/zinc/78/55/92/459785592.db2.gz NQGQDOQBORWDKY-DOTOQJQBSA-N 2 2 339.487 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003448 459793181 /nfs/dbraw/zinc/79/31/81/459793181.db2.gz SJSJNQUEBJLKAF-DNVCBOLYSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003448 459793185 /nfs/dbraw/zinc/79/31/85/459793185.db2.gz SJSJNQUEBJLKAF-DNVCBOLYSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006945 459794439 /nfs/dbraw/zinc/79/44/39/459794439.db2.gz ALINZTRHEOHUEV-OXJNMPFZSA-N 2 2 341.499 3.481 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006945 459794443 /nfs/dbraw/zinc/79/44/43/459794443.db2.gz ALINZTRHEOHUEV-OXJNMPFZSA-N 2 2 341.499 3.481 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000574268247 459798681 /nfs/dbraw/zinc/79/86/81/459798681.db2.gz UQHUXTSJSZSZJZ-IBGZPJMESA-N 3 2 340.515 3.349 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c1C ZINC000545868481 459864035 /nfs/dbraw/zinc/86/40/35/459864035.db2.gz NYWWAORGYOXJPG-QGZVFWFLSA-N 2 2 329.488 3.262 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c1C ZINC000545868481 459864042 /nfs/dbraw/zinc/86/40/42/459864042.db2.gz NYWWAORGYOXJPG-QGZVFWFLSA-N 2 2 329.488 3.262 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690838 459969480 /nfs/dbraw/zinc/96/94/80/459969480.db2.gz JINGKJVIDJHZIA-ICSRJNTNSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690838 459969484 /nfs/dbraw/zinc/96/94/84/459969484.db2.gz JINGKJVIDJHZIA-ICSRJNTNSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690838 459969492 /nfs/dbraw/zinc/96/94/92/459969492.db2.gz JINGKJVIDJHZIA-ICSRJNTNSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690838 459969498 /nfs/dbraw/zinc/96/94/98/459969498.db2.gz JINGKJVIDJHZIA-ICSRJNTNSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604327153 460408139 /nfs/dbraw/zinc/40/81/39/460408139.db2.gz QVURBLCRIKOTBQ-MRXNPFEDSA-N 2 2 325.412 3.006 10 0 EGAELP Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000604327153 460408147 /nfs/dbraw/zinc/40/81/47/460408147.db2.gz QVURBLCRIKOTBQ-MRXNPFEDSA-N 2 2 325.412 3.006 10 0 EGAELP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000634555786 460418493 /nfs/dbraw/zinc/41/84/93/460418493.db2.gz VDHPBLYORWKOAY-RYUDHWBXSA-N 2 2 328.338 3.182 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2nccc(Br)c2C1 ZINC000623286406 460476365 /nfs/dbraw/zinc/47/63/65/460476365.db2.gz RJTIFHFLJPRCLA-CYBMUJFWSA-N 2 2 338.293 3.077 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2nccc(Br)c2C1 ZINC000623286406 460476368 /nfs/dbraw/zinc/47/63/68/460476368.db2.gz RJTIFHFLJPRCLA-CYBMUJFWSA-N 2 2 338.293 3.077 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286406 460476372 /nfs/dbraw/zinc/47/63/72/460476372.db2.gz RJTIFHFLJPRCLA-CYBMUJFWSA-N 2 2 338.293 3.077 10 0 EGAELP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286406 460476375 /nfs/dbraw/zinc/47/63/75/460476375.db2.gz RJTIFHFLJPRCLA-CYBMUJFWSA-N 2 2 338.293 3.077 10 0 EGAELP C[C@@H](C[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885294 460494387 /nfs/dbraw/zinc/49/43/87/460494387.db2.gz ZZPHDZLHHPVNRT-UGKGYDQZSA-N 2 2 338.495 3.407 10 0 EGAELP C[C@@H](C[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000604885294 460494394 /nfs/dbraw/zinc/49/43/94/460494394.db2.gz ZZPHDZLHHPVNRT-UGKGYDQZSA-N 2 2 338.495 3.407 10 0 EGAELP OCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000631659903 460494964 /nfs/dbraw/zinc/49/49/64/460494964.db2.gz BWDVNQVWZFTOKW-GOSISDBHSA-N 2 2 340.870 3.367 10 0 EGAELP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435424 460547721 /nfs/dbraw/zinc/54/77/21/460547721.db2.gz DOSLMWMRBDIZGJ-ROUUACIJSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435424 460547726 /nfs/dbraw/zinc/54/77/26/460547726.db2.gz DOSLMWMRBDIZGJ-ROUUACIJSA-N 2 2 326.488 3.166 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000623853137 460745343 /nfs/dbraw/zinc/74/53/43/460745343.db2.gz NRMGJJHLKGVEQG-LLVKDONJSA-N 2 2 335.801 3.370 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629395285 460748146 /nfs/dbraw/zinc/74/81/46/460748146.db2.gz ORZFYWUOXNHIJO-BEFAXECRSA-N 2 2 326.488 3.087 10 0 EGAELP COc1ncc(Br)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629523615 460794010 /nfs/dbraw/zinc/79/40/10/460794010.db2.gz IWRJEVBIQRLEGI-GJZGRUSLSA-N 2 2 348.244 3.087 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000624077757 460848489 /nfs/dbraw/zinc/84/84/89/460848489.db2.gz AGWXAAIGYSWHNM-NVXWUHKLSA-N 2 2 342.405 3.385 10 0 EGAELP CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000635765570 460913502 /nfs/dbraw/zinc/91/35/02/460913502.db2.gz DVQOYYUJCKCFFK-QZTJIDSGSA-N 2 2 346.519 3.120 10 0 EGAELP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000635765570 460913508 /nfs/dbraw/zinc/91/35/08/460913508.db2.gz DVQOYYUJCKCFFK-QZTJIDSGSA-N 2 2 346.519 3.120 10 0 EGAELP CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)CC(C)C ZINC000635765570 460913512 /nfs/dbraw/zinc/91/35/12/460913512.db2.gz DVQOYYUJCKCFFK-QZTJIDSGSA-N 2 2 346.519 3.120 10 0 EGAELP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)CC(C)C ZINC000635765570 460913514 /nfs/dbraw/zinc/91/35/14/460913514.db2.gz DVQOYYUJCKCFFK-QZTJIDSGSA-N 2 2 346.519 3.120 10 0 EGAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000607876307 460924842 /nfs/dbraw/zinc/92/48/42/460924842.db2.gz COMJOOJMQXYVKY-UHFFFAOYSA-N 2 2 349.544 3.045 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621350996 461002512 /nfs/dbraw/zinc/00/25/12/461002512.db2.gz AWMBEFWLUUPHOS-INIZCTEOSA-N 2 2 344.421 3.375 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621350996 461002516 /nfs/dbraw/zinc/00/25/16/461002516.db2.gz AWMBEFWLUUPHOS-INIZCTEOSA-N 2 2 344.421 3.375 10 0 EGAELP Cc1cc(N2CC[NH+](C[C@]3(C)CCCS3)CC2)nc(C(C)C)[nH+]1 ZINC000628124393 461010027 /nfs/dbraw/zinc/01/00/27/461010027.db2.gz FSPDRBRVHOQMAX-SFHVURJKSA-N 2 2 334.533 3.316 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186516 461037000 /nfs/dbraw/zinc/03/70/00/461037000.db2.gz NCQRGIAKEDVATG-GOSISDBHSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186516 461037007 /nfs/dbraw/zinc/03/70/07/461037007.db2.gz NCQRGIAKEDVATG-GOSISDBHSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186516 461037012 /nfs/dbraw/zinc/03/70/12/461037012.db2.gz NCQRGIAKEDVATG-GOSISDBHSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186516 461037016 /nfs/dbraw/zinc/03/70/16/461037016.db2.gz NCQRGIAKEDVATG-GOSISDBHSA-N 2 2 344.499 3.400 10 0 EGAELP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662282207 461165195 /nfs/dbraw/zinc/16/51/95/461165195.db2.gz NUSJWJSWRCLKKT-IEBWSBKVSA-N 2 2 330.859 3.202 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CCO1 ZINC000662319564 461189545 /nfs/dbraw/zinc/18/95/45/461189545.db2.gz KKAWIWJNKZXSMX-AWEZNQCLSA-N 2 2 328.859 3.064 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CCO1 ZINC000662319564 461189550 /nfs/dbraw/zinc/18/95/50/461189550.db2.gz KKAWIWJNKZXSMX-AWEZNQCLSA-N 2 2 328.859 3.064 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662363062 461211697 /nfs/dbraw/zinc/21/16/97/461211697.db2.gz ZUEGDIYJCFYVMZ-KBXCAEBGSA-N 2 2 335.398 3.425 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662363062 461211701 /nfs/dbraw/zinc/21/17/01/461211701.db2.gz ZUEGDIYJCFYVMZ-KBXCAEBGSA-N 2 2 335.398 3.425 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649601615 461212440 /nfs/dbraw/zinc/21/24/40/461212440.db2.gz XAGDACQBHKCOPX-HXUWFJFHSA-N 2 2 338.499 3.220 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649601615 461212443 /nfs/dbraw/zinc/21/24/43/461212443.db2.gz XAGDACQBHKCOPX-HXUWFJFHSA-N 2 2 338.499 3.220 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662368451 461215422 /nfs/dbraw/zinc/21/54/22/461215422.db2.gz TXEWTNWZARUGPJ-IBGZPJMESA-N 2 2 348.450 3.086 10 0 EGAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000659287961 461275570 /nfs/dbraw/zinc/27/55/70/461275570.db2.gz OZFFQHOYIVYBDY-HNNXBMFYSA-N 2 2 344.459 3.301 10 0 EGAELP Cn1nc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000647248785 461589460 /nfs/dbraw/zinc/58/94/60/461589460.db2.gz DDMCMIGZYDDCPQ-MJGOQNOKSA-N 2 2 334.467 3.008 10 0 EGAELP Cn1nc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000647248785 461589465 /nfs/dbraw/zinc/58/94/65/461589465.db2.gz DDMCMIGZYDDCPQ-MJGOQNOKSA-N 2 2 334.467 3.008 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2n(n1)CCCC2 ZINC000647281715 461607741 /nfs/dbraw/zinc/60/77/41/461607741.db2.gz CSOVPYFWYJMQRL-MRXNPFEDSA-N 2 2 335.455 3.315 10 0 EGAELP COc1c(C)[nH+]cnc1NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000656126247 461608408 /nfs/dbraw/zinc/60/84/08/461608408.db2.gz CSSHHDWKNPOKKE-HNNXBMFYSA-N 2 2 326.444 3.431 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480476 461726232 /nfs/dbraw/zinc/72/62/32/461726232.db2.gz OWSNTNSFAIJLCM-CXAGYDPISA-N 2 2 346.425 3.319 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480476 461726242 /nfs/dbraw/zinc/72/62/42/461726242.db2.gz OWSNTNSFAIJLCM-CXAGYDPISA-N 2 2 346.425 3.319 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OCC(C)C ZINC000647553730 461764135 /nfs/dbraw/zinc/76/41/35/461764135.db2.gz IGLFAMTYUQOIRN-LJQANCHMSA-N 2 2 332.488 3.494 10 0 EGAELP CO[C@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)[C@@H]1CCOC1 ZINC000660451771 461786518 /nfs/dbraw/zinc/78/65/18/461786518.db2.gz GPANIOBTFFYNRF-OXQOHEQNSA-N 2 2 343.471 3.033 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCCC[NH2+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000666770519 461795809 /nfs/dbraw/zinc/79/58/09/461795809.db2.gz GFJCQIAOSQUPIH-QGZVFWFLSA-N 2 2 339.487 3.292 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899731 461873920 /nfs/dbraw/zinc/87/39/20/461873920.db2.gz UFIIZVAXPDKWON-KEYYUXOJSA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899731 461873925 /nfs/dbraw/zinc/87/39/25/461873925.db2.gz UFIIZVAXPDKWON-KEYYUXOJSA-N 2 2 335.879 3.131 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899702 461874039 /nfs/dbraw/zinc/87/40/39/461874039.db2.gz SVHDEBLWHQNDAQ-SJLPKXTDSA-N 2 2 343.515 3.387 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899702 461874043 /nfs/dbraw/zinc/87/40/43/461874043.db2.gz SVHDEBLWHQNDAQ-SJLPKXTDSA-N 2 2 343.515 3.387 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899435 461874377 /nfs/dbraw/zinc/87/43/77/461874377.db2.gz KJOWWDFYNBSZDQ-MOPGFXCFSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899435 461874385 /nfs/dbraw/zinc/87/43/85/461874385.db2.gz KJOWWDFYNBSZDQ-MOPGFXCFSA-N 2 2 343.515 3.214 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899700 461874710 /nfs/dbraw/zinc/87/47/10/461874710.db2.gz SVHDEBLWHQNDAQ-AEFFLSMTSA-N 2 2 343.515 3.387 10 0 EGAELP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899700 461874717 /nfs/dbraw/zinc/87/47/17/461874717.db2.gz SVHDEBLWHQNDAQ-AEFFLSMTSA-N 2 2 343.515 3.387 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903690 461878686 /nfs/dbraw/zinc/87/86/86/461878686.db2.gz OILWGKXZLGTXEB-HOTGVXAUSA-N 2 2 335.517 3.076 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903690 461878689 /nfs/dbraw/zinc/87/86/89/461878689.db2.gz OILWGKXZLGTXEB-HOTGVXAUSA-N 2 2 335.517 3.076 10 0 EGAELP c1c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[nH]nc1-c1ccccc1 ZINC000656789045 461899957 /nfs/dbraw/zinc/89/99/57/461899957.db2.gz OMUKEBQYIYJHLG-TZIWHRDSSA-N 2 2 332.451 3.312 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970155 461914574 /nfs/dbraw/zinc/91/45/74/461914574.db2.gz FPDXKEXUJOSGJE-OXQOHEQNSA-N 2 2 327.472 3.100 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970155 461914576 /nfs/dbraw/zinc/91/45/76/461914576.db2.gz FPDXKEXUJOSGJE-OXQOHEQNSA-N 2 2 327.472 3.100 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648010730 461938646 /nfs/dbraw/zinc/93/86/46/461938646.db2.gz QCFLGOSGFCXVAD-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648010730 461938652 /nfs/dbraw/zinc/93/86/52/461938652.db2.gz QCFLGOSGFCXVAD-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP c1cc(CNc2ccc(N3CCCCC3)c[nH+]2)n(-c2cc[nH+]cc2)n1 ZINC000657322142 462044172 /nfs/dbraw/zinc/04/41/72/462044172.db2.gz GZWUFFMNEDGYCY-UHFFFAOYSA-N 2 2 334.427 3.265 10 0 EGAELP Cc1cccc(C[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000644704783 462046771 /nfs/dbraw/zinc/04/67/71/462046771.db2.gz GRWSMVFARGXVGX-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000644704783 462046776 /nfs/dbraw/zinc/04/67/76/462046776.db2.gz GRWSMVFARGXVGX-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000644704783 462046780 /nfs/dbraw/zinc/04/67/80/462046780.db2.gz GRWSMVFARGXVGX-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cccc(C[N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000644704783 462046787 /nfs/dbraw/zinc/04/67/87/462046787.db2.gz GRWSMVFARGXVGX-OAQYLSRUSA-N 2 2 326.484 3.228 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccccc2)O1 ZINC000667557093 462141334 /nfs/dbraw/zinc/14/13/34/462141334.db2.gz NAUFMSOSIFLHCK-OXQOHEQNSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccccc2)O1 ZINC000667557093 462141337 /nfs/dbraw/zinc/14/13/37/462141337.db2.gz NAUFMSOSIFLHCK-OXQOHEQNSA-N 2 2 334.423 3.229 10 0 EGAELP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000664656868 462142008 /nfs/dbraw/zinc/14/20/08/462142008.db2.gz IJNUPSHQYVYNLT-AWEZNQCLSA-N 2 2 333.863 3.435 10 0 EGAELP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000664656496 462142258 /nfs/dbraw/zinc/14/22/58/462142258.db2.gz GYZRDNJUVDRQGL-HNNXBMFYSA-N 2 2 331.435 3.229 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525567 462168066 /nfs/dbraw/zinc/16/80/66/462168066.db2.gz YUBKDBQHMRVQTR-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525567 462168061 /nfs/dbraw/zinc/16/80/61/462168061.db2.gz YUBKDBQHMRVQTR-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657719392 462240962 /nfs/dbraw/zinc/24/09/62/462240962.db2.gz OXSRWGKOKGJMDZ-UHFFFAOYSA-N 2 2 344.425 3.194 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000657822125 462284158 /nfs/dbraw/zinc/28/41/58/462284158.db2.gz XNAOJBOKRSSDLA-GOSISDBHSA-N 2 2 345.487 3.156 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651644057 462287441 /nfs/dbraw/zinc/28/74/41/462287441.db2.gz ARLBFGHCLQPALU-LPHOPBHVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651644057 462287447 /nfs/dbraw/zinc/28/74/47/462287447.db2.gz ARLBFGHCLQPALU-LPHOPBHVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000651644057 462287451 /nfs/dbraw/zinc/28/74/51/462287451.db2.gz ARLBFGHCLQPALU-LPHOPBHVSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000651644057 462287456 /nfs/dbraw/zinc/28/74/56/462287456.db2.gz ARLBFGHCLQPALU-LPHOPBHVSA-N 2 2 326.488 3.404 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000657883392 462306541 /nfs/dbraw/zinc/30/65/41/462306541.db2.gz RQUFAJONBZPAHF-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000657883392 462306546 /nfs/dbraw/zinc/30/65/46/462306546.db2.gz RQUFAJONBZPAHF-LEWJYISDSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665164746 462335992 /nfs/dbraw/zinc/33/59/92/462335992.db2.gz YYVKMFBZYVAXSQ-UHFFFAOYSA-N 2 2 334.508 3.123 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665164746 462335996 /nfs/dbraw/zinc/33/59/96/462335996.db2.gz YYVKMFBZYVAXSQ-UHFFFAOYSA-N 2 2 334.508 3.123 10 0 EGAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244140 462366488 /nfs/dbraw/zinc/36/64/88/462366488.db2.gz HBECHVOECAEIEM-KBXCAEBGSA-N 2 2 328.431 3.415 10 0 EGAELP FCC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661690625 462367982 /nfs/dbraw/zinc/36/79/82/462367982.db2.gz SHVFWGLXFRWXSU-IBGZPJMESA-N 2 2 333.495 3.270 10 0 EGAELP FCC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661690625 462367987 /nfs/dbraw/zinc/36/79/87/462367987.db2.gz SHVFWGLXFRWXSU-IBGZPJMESA-N 2 2 333.495 3.270 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2[nH+]ccn2CC)cc1 ZINC000665255201 462372421 /nfs/dbraw/zinc/37/24/21/462372421.db2.gz LLIRQXCVUFGDLA-SNRMKQJTSA-N 2 2 342.487 3.098 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1F ZINC000658228473 462434589 /nfs/dbraw/zinc/43/45/89/462434589.db2.gz SLIGFNMAKDJLAJ-GOEBONIOSA-N 2 2 335.467 3.362 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203687 462470324 /nfs/dbraw/zinc/47/03/24/462470324.db2.gz UZABJTHNHVHFFQ-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203687 462470327 /nfs/dbraw/zinc/47/03/27/462470327.db2.gz UZABJTHNHVHFFQ-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP CSC1(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)CC[NH+](C)CC1 ZINC000601167033 468767865 /nfs/dbraw/zinc/76/78/65/468767865.db2.gz YBMGYBLNYCDTTI-UHFFFAOYSA-N 2 2 331.489 3.075 10 0 EGAELP Cc1ccc(-c2cc(C[NH+]3CCN(c4cc[nH+]c(C)n4)CC3)on2)cc1 ZINC000183795032 534183024 /nfs/dbraw/zinc/18/30/24/534183024.db2.gz KRFXAPQDZDNWGU-UHFFFAOYSA-N 2 2 349.438 3.071 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000185978502 535804529 /nfs/dbraw/zinc/80/45/29/535804529.db2.gz NWLJBNBGTDYSPL-CZUORRHYSA-N 2 2 328.859 3.367 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000678333689 549471040 /nfs/dbraw/zinc/47/10/40/549471040.db2.gz DEVWFJYQCMIRDG-UHFFFAOYSA-N 2 2 326.431 3.494 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000678333689 549471043 /nfs/dbraw/zinc/47/10/43/549471043.db2.gz DEVWFJYQCMIRDG-UHFFFAOYSA-N 2 2 326.431 3.494 10 0 EGAELP C[C@@H](Cc1ccsc1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044560 549625000 /nfs/dbraw/zinc/62/50/00/549625000.db2.gz PCUGISALRZQSDR-FXAWDEMLSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@@H](Cc1ccsc1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044560 549625005 /nfs/dbraw/zinc/62/50/05/549625005.db2.gz PCUGISALRZQSDR-FXAWDEMLSA-N 2 2 344.524 3.296 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)[nH+]c12 ZINC000682732063 550137645 /nfs/dbraw/zinc/13/76/45/550137645.db2.gz DHQFKTXPWNVCAB-NZSAHSFTSA-N 2 2 327.472 3.370 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000731032157 575047383 /nfs/dbraw/zinc/04/73/83/575047383.db2.gz VGNNNKLSHILUEI-MRXNPFEDSA-N 2 2 330.394 3.201 10 0 EGAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740811 576179615 /nfs/dbraw/zinc/17/96/15/576179615.db2.gz ATHXGSYXHOMIDY-XLIONFOSSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740811 576179616 /nfs/dbraw/zinc/17/96/16/576179616.db2.gz ATHXGSYXHOMIDY-XLIONFOSSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740812 576179635 /nfs/dbraw/zinc/17/96/35/576179635.db2.gz ATHXGSYXHOMIDY-YLJYHZDGSA-N 2 2 348.556 3.135 10 0 EGAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000681740812 576179636 /nfs/dbraw/zinc/17/96/36/576179636.db2.gz ATHXGSYXHOMIDY-YLJYHZDGSA-N 2 2 348.556 3.135 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872149864 1296768940 /nfs/dbraw/zinc/76/89/40/1296768940.db2.gz RMQSEZMHOILVMJ-PWSUYJOCSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872149864 1296768953 /nfs/dbraw/zinc/76/89/53/1296768953.db2.gz RMQSEZMHOILVMJ-PWSUYJOCSA-N 2 2 342.283 3.154 10 0 EGAELP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390541127 1297629614 /nfs/dbraw/zinc/62/96/14/1297629614.db2.gz RBSQAWPBFRBOJH-MHJFOBGBSA-N 2 2 344.499 3.363 10 0 EGAELP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390541127 1297629626 /nfs/dbraw/zinc/62/96/26/1297629626.db2.gz RBSQAWPBFRBOJH-MHJFOBGBSA-N 2 2 344.499 3.363 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877167679 1299191042 /nfs/dbraw/zinc/19/10/42/1299191042.db2.gz GPMGMMMASIPHNY-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000877167679 1299191044 /nfs/dbraw/zinc/19/10/44/1299191044.db2.gz GPMGMMMASIPHNY-DOTOQJQBSA-N 2 2 343.446 3.230 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](CNc3nccn4c[nH+]cc34)C2)c1 ZINC000892141875 1305265196 /nfs/dbraw/zinc/26/51/96/1305265196.db2.gz ANMVLUKLOPRGAM-AWEZNQCLSA-N 2 2 327.457 3.115 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](CNc3nccn4c[nH+]cc34)C2)c1 ZINC000892141875 1305265198 /nfs/dbraw/zinc/26/51/98/1305265198.db2.gz ANMVLUKLOPRGAM-AWEZNQCLSA-N 2 2 327.457 3.115 10 0 EGAELP C[C@H](CC(=O)O[C@@H](C[N@@H+](C)Cc1ccccc1)C1CC1)n1cc[nH+]c1 ZINC000893696353 1306033810 /nfs/dbraw/zinc/03/38/10/1306033810.db2.gz GWMSKLNGVGDBAI-APWZRJJASA-N 2 2 341.455 3.288 10 0 EGAELP COc1cc(C)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052211 1306192222 /nfs/dbraw/zinc/19/22/22/1306192222.db2.gz BICRWZANULAYOB-QGZVFWFLSA-N 2 2 332.488 3.320 10 0 EGAELP COc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052211 1306192226 /nfs/dbraw/zinc/19/22/26/1306192226.db2.gz BICRWZANULAYOB-QGZVFWFLSA-N 2 2 332.488 3.320 10 0 EGAELP COc1cccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895110226 1309195044 /nfs/dbraw/zinc/19/50/44/1309195044.db2.gz DWTGWFXKXILZLJ-BQFCYCMXSA-N 2 2 340.471 3.193 10 0 EGAELP CO[C@H](Cc1ccccc1)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111232 1309195403 /nfs/dbraw/zinc/19/54/03/1309195403.db2.gz CLBQNGMVNSMPSK-VAMGGRTRSA-N 2 2 339.483 3.416 10 0 EGAELP C[C@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556896 1309400701 /nfs/dbraw/zinc/40/07/01/1309400701.db2.gz MKGHFPXFULOWMN-YOEHRIQHSA-N 2 2 344.484 3.100 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556896 1309400704 /nfs/dbraw/zinc/40/07/04/1309400704.db2.gz MKGHFPXFULOWMN-YOEHRIQHSA-N 2 2 344.484 3.100 10 0 EGAELP C[N@H+](CCCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798860 1328704665 /nfs/dbraw/zinc/70/46/65/1328704665.db2.gz QZKOOKWJSRVPLE-UHFFFAOYSA-N 2 2 338.499 3.048 10 0 EGAELP C[N@@H+](CCCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798860 1328704667 /nfs/dbraw/zinc/70/46/67/1328704667.db2.gz QZKOOKWJSRVPLE-UHFFFAOYSA-N 2 2 338.499 3.048 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804073 1328704944 /nfs/dbraw/zinc/70/49/44/1328704944.db2.gz SIZGNPOFDHXSHZ-GDBMZVCRSA-N 2 2 348.491 3.092 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804018 1328705004 /nfs/dbraw/zinc/70/50/04/1328705004.db2.gz QWXWOYMLVLDVSX-HZPDHXFCSA-N 2 2 348.491 3.023 10 0 EGAELP Cc1nnsc1[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930265383 1328822825 /nfs/dbraw/zinc/82/28/25/1328822825.db2.gz DIHVPDLYWGYIHX-CYBMUJFWSA-N 2 2 331.489 3.320 10 0 EGAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2o1 ZINC000921471974 1322323134 /nfs/dbraw/zinc/32/31/34/1322323134.db2.gz SWHKMAIFMCEHHG-UHFFFAOYSA-N 2 2 337.423 3.288 10 0 EGAELP Cc1cnc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000921551739 1322350303 /nfs/dbraw/zinc/35/03/03/1322350303.db2.gz PHBACKTTWCMIHE-UHFFFAOYSA-N 2 2 345.874 3.165 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)ccc1F ZINC000921746292 1322390550 /nfs/dbraw/zinc/39/05/50/1322390550.db2.gz YTPVBJGAMRAGKY-UHFFFAOYSA-N 2 2 336.842 3.431 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921748812 1322391513 /nfs/dbraw/zinc/39/15/13/1322391513.db2.gz KOFWUYFCPTVUTB-INIZCTEOSA-N 2 2 338.499 3.224 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921921653 1322423713 /nfs/dbraw/zinc/42/37/13/1322423713.db2.gz IJTVYSXHNAMICP-BOFXEDATSA-N 2 2 343.515 3.402 10 0 EGAELP C[C@@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC000923493150 1322761476 /nfs/dbraw/zinc/76/14/76/1322761476.db2.gz DUKVGUHKJGYTEN-ZJUUUORDSA-N 2 2 333.220 3.144 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC000923493150 1322761481 /nfs/dbraw/zinc/76/14/81/1322761481.db2.gz DUKVGUHKJGYTEN-ZJUUUORDSA-N 2 2 333.220 3.144 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924555230 1323053821 /nfs/dbraw/zinc/05/38/21/1323053821.db2.gz YZLXQUPOYXNALP-MJGOQNOKSA-N 2 2 326.488 3.341 10 0 EGAELP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924555230 1323053825 /nfs/dbraw/zinc/05/38/25/1323053825.db2.gz YZLXQUPOYXNALP-MJGOQNOKSA-N 2 2 326.488 3.341 10 0 EGAELP Fc1ccc(SCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285897 1329085823 /nfs/dbraw/zinc/08/58/23/1329085823.db2.gz UPQBKMZCBLVDRR-UHFFFAOYSA-N 2 2 338.492 3.105 10 0 EGAELP Fc1ccc(SCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285897 1329085828 /nfs/dbraw/zinc/08/58/28/1329085828.db2.gz UPQBKMZCBLVDRR-UHFFFAOYSA-N 2 2 338.492 3.105 10 0 EGAELP CC(C)O[C@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931285631 1329086308 /nfs/dbraw/zinc/08/63/08/1329086308.db2.gz NNOZNTNKORZRLG-OAQYLSRUSA-N 2 2 346.515 3.339 10 0 EGAELP CC(C)O[C@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931285631 1329086311 /nfs/dbraw/zinc/08/63/11/1329086311.db2.gz NNOZNTNKORZRLG-OAQYLSRUSA-N 2 2 346.515 3.339 10 0 EGAELP Cc1[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)[nH+]1 ZINC000931268583 1329082160 /nfs/dbraw/zinc/08/21/60/1329082160.db2.gz CEYVMAMPCPWUOU-QGZVFWFLSA-N 2 2 326.444 3.342 10 0 EGAELP Cc1[nH]c(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)[nH+]1 ZINC000931268583 1329082162 /nfs/dbraw/zinc/08/21/62/1329082162.db2.gz CEYVMAMPCPWUOU-QGZVFWFLSA-N 2 2 326.444 3.342 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1 ZINC000925181816 1325074715 /nfs/dbraw/zinc/07/47/15/1325074715.db2.gz XXIBQHQUWRDHEP-WCIQWLHISA-N 2 2 339.483 3.499 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925619294 1325232507 /nfs/dbraw/zinc/23/25/07/1325232507.db2.gz MIIXQNWWUGPNDR-VZJVUDMVSA-N 2 2 329.271 3.290 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCOC[C@H]3C(C)C)cc2)CC1 ZINC000925728134 1325271625 /nfs/dbraw/zinc/27/16/25/1325271625.db2.gz BDKSAOLTJSWEQR-VQTJNVASSA-N 2 2 331.504 3.302 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000925728906 1325272240 /nfs/dbraw/zinc/27/22/40/1325272240.db2.gz FNJZMBSKTFERBG-WIYYLYMNSA-N 2 2 343.515 3.446 10 0 EGAELP CC1(C)[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925729685 1325273203 /nfs/dbraw/zinc/27/32/03/1325273203.db2.gz KXGFNQZLHSJNFZ-XOKHGSTOSA-N 2 2 328.485 3.071 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)CC1 ZINC000925731753 1325274561 /nfs/dbraw/zinc/27/45/61/1325274561.db2.gz VGMQLJHKXGOQCR-CMKODMSKSA-N 2 2 343.515 3.446 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925831668 1325319308 /nfs/dbraw/zinc/31/93/08/1325319308.db2.gz LHPUFRNIJDOUDC-XZDPQHSOSA-N 2 2 328.378 3.276 10 0 EGAELP COc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925831662 1325319734 /nfs/dbraw/zinc/31/97/34/1325319734.db2.gz LHPUFRNIJDOUDC-DRPJVOAASA-N 2 2 328.378 3.276 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217837 1325476575 /nfs/dbraw/zinc/47/65/75/1325476575.db2.gz WUEYMQMEHHZTCU-ZEXAPNKDSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217837 1325476578 /nfs/dbraw/zinc/47/65/78/1325476578.db2.gz WUEYMQMEHHZTCU-ZEXAPNKDSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCCCO1 ZINC000926961787 1327798666 /nfs/dbraw/zinc/79/86/66/1327798666.db2.gz YHPDWMMFSYSNIA-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCCCO1 ZINC000926961787 1327798669 /nfs/dbraw/zinc/79/86/69/1327798669.db2.gz YHPDWMMFSYSNIA-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP c1ccc(SC2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927102767 1327864075 /nfs/dbraw/zinc/86/40/75/1327864075.db2.gz LVQJBKBDKPDPRY-RMXPPQQLSA-N 2 2 332.513 3.153 10 0 EGAELP c1ccc(SC2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927102767 1327864080 /nfs/dbraw/zinc/86/40/80/1327864080.db2.gz LVQJBKBDKPDPRY-RMXPPQQLSA-N 2 2 332.513 3.153 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)c2ccc(F)cc2C)nc(C(C)C)[nH+]1 ZINC000863574773 1329564205 /nfs/dbraw/zinc/56/42/05/1329564205.db2.gz CMJLXQPSJZMGBN-KRWDZBQOSA-N 2 2 346.450 3.091 10 0 EGAELP c1cc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000865805216 1329740082 /nfs/dbraw/zinc/74/00/82/1329740082.db2.gz VDHYGBCXANXQRB-LJQANCHMSA-N 2 2 339.487 3.154 10 0 EGAELP c1cn(-c2ccc(C[NH2+]C3(c4ccc5c(c4)OCCO5)CC3)cc2)c[nH+]1 ZINC000933999742 1329939257 /nfs/dbraw/zinc/93/92/57/1329939257.db2.gz DRVLXWCXUCMWDR-UHFFFAOYSA-N 2 2 347.418 3.422 10 0 EGAELP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866231317 1330081329 /nfs/dbraw/zinc/08/13/29/1330081329.db2.gz WPNCHVUTXTVKJC-GFCCVEGCSA-N 2 2 325.840 3.100 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866231317 1330081330 /nfs/dbraw/zinc/08/13/30/1330081330.db2.gz WPNCHVUTXTVKJC-GFCCVEGCSA-N 2 2 325.840 3.100 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)cc1 ZINC000866705412 1330142923 /nfs/dbraw/zinc/14/29/23/1330142923.db2.gz ZIVJCIKACJVMKT-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)cc1 ZINC000866705412 1330142925 /nfs/dbraw/zinc/14/29/25/1330142925.db2.gz ZIVJCIKACJVMKT-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866705017 1330143164 /nfs/dbraw/zinc/14/31/64/1330143164.db2.gz ZIUMCLFBEAMKTJ-FQEVSTJZSA-N 2 2 331.504 3.247 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866705017 1330143166 /nfs/dbraw/zinc/14/31/66/1330143166.db2.gz ZIUMCLFBEAMKTJ-FQEVSTJZSA-N 2 2 331.504 3.247 10 0 EGAELP C[C@@H](CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001323080071 1387284772 /nfs/dbraw/zinc/28/47/72/1387284772.db2.gz FOKHPOMEXMXMGF-LPHOPBHVSA-N 2 2 346.519 3.289 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368602 1368799572 /nfs/dbraw/zinc/79/95/72/1368799572.db2.gz JKDLMDWOIQSCDD-SFHVURJKSA-N 3 2 347.466 3.286 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368602 1368799576 /nfs/dbraw/zinc/79/95/76/1368799576.db2.gz JKDLMDWOIQSCDD-SFHVURJKSA-N 3 2 347.466 3.286 10 0 EGAELP CC(C)CCOCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140757 1368967548 /nfs/dbraw/zinc/96/75/48/1368967548.db2.gz MJZKSEVOOBNKKH-UHFFFAOYSA-N 2 2 348.531 3.274 10 0 EGAELP CC(C)CCOCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140757 1368967551 /nfs/dbraw/zinc/96/75/51/1368967551.db2.gz MJZKSEVOOBNKKH-UHFFFAOYSA-N 2 2 348.531 3.274 10 0 EGAELP CC(C)CCOCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140757 1368967556 /nfs/dbraw/zinc/96/75/56/1368967556.db2.gz MJZKSEVOOBNKKH-UHFFFAOYSA-N 2 2 348.531 3.274 10 0 EGAELP CC(C)CCOCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140757 1368967559 /nfs/dbraw/zinc/96/75/59/1368967559.db2.gz MJZKSEVOOBNKKH-UHFFFAOYSA-N 2 2 348.531 3.274 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894347 1388067316 /nfs/dbraw/zinc/06/73/16/1388067316.db2.gz APSLISIGUVJDDV-WFRZBGSESA-N 2 2 344.503 3.085 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001325894347 1388067322 /nfs/dbraw/zinc/06/73/22/1388067322.db2.gz APSLISIGUVJDDV-WFRZBGSESA-N 2 2 344.503 3.085 10 0 EGAELP C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001119540912 1371364779 /nfs/dbraw/zinc/36/47/79/1371364779.db2.gz LMRJCAYXMMYESK-DLBZAZTESA-N 2 2 340.471 3.172 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001119771870 1371402133 /nfs/dbraw/zinc/40/21/33/1371402133.db2.gz SMBYDBCIOKPBBZ-KKUMJFAQSA-N 2 2 345.409 3.175 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001119771870 1371402135 /nfs/dbraw/zinc/40/21/35/1371402135.db2.gz SMBYDBCIOKPBBZ-KKUMJFAQSA-N 2 2 345.409 3.175 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156505 1388410513 /nfs/dbraw/zinc/41/05/13/1388410513.db2.gz MAZBWNOXEGHBRL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156505 1388410514 /nfs/dbraw/zinc/41/05/14/1388410514.db2.gz MAZBWNOXEGHBRL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157803 1388413254 /nfs/dbraw/zinc/41/32/54/1388413254.db2.gz VCBDGILIAKKGHJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157803 1388413258 /nfs/dbraw/zinc/41/32/58/1388413258.db2.gz VCBDGILIAKKGHJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327157803 1388413262 /nfs/dbraw/zinc/41/32/62/1388413262.db2.gz VCBDGILIAKKGHJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001327157803 1388413265 /nfs/dbraw/zinc/41/32/65/1388413265.db2.gz VCBDGILIAKKGHJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c[nH+]1 ZINC001135272589 1377014403 /nfs/dbraw/zinc/01/44/03/1377014403.db2.gz UXGDETAMTIGNGI-UHFFFAOYSA-N 2 2 346.519 3.232 10 0 EGAELP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccsc1 ZINC001267812712 1377471186 /nfs/dbraw/zinc/47/11/86/1377471186.db2.gz FGSKLZGCGWXGOA-MRXNPFEDSA-N 2 2 331.485 3.367 10 0 EGAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Cl ZINC001268227603 1377498418 /nfs/dbraw/zinc/49/84/18/1377498418.db2.gz MTECZAJZULIRPN-PBHICJAKSA-N 2 2 348.878 3.028 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283189420 1378757226 /nfs/dbraw/zinc/75/72/26/1378757226.db2.gz OVHGOTUQAPTIBW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283189420 1378757231 /nfs/dbraw/zinc/75/72/31/1378757231.db2.gz OVHGOTUQAPTIBW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284060164 1379413991 /nfs/dbraw/zinc/41/39/91/1379413991.db2.gz ZZYXNMPKNZOHSI-YLJYHZDGSA-N 2 2 346.519 3.046 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284060164 1379413992 /nfs/dbraw/zinc/41/39/92/1379413992.db2.gz ZZYXNMPKNZOHSI-YLJYHZDGSA-N 2 2 346.519 3.046 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001284799687 1380220544 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ZINC001733462570 1429690220 /nfs/dbraw/zinc/69/02/20/1429690220.db2.gz XXWBPEZYBMCUKA-QUCCMNQESA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)n1cc[nH+]c1 ZINC001733462570 1429690224 /nfs/dbraw/zinc/69/02/24/1429690224.db2.gz XXWBPEZYBMCUKA-QUCCMNQESA-N 2 2 346.519 3.099 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733525099 1429732863 /nfs/dbraw/zinc/73/28/63/1429732863.db2.gz CKZUHEPMFBHGNA-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733525099 1429732867 /nfs/dbraw/zinc/73/28/67/1429732867.db2.gz CKZUHEPMFBHGNA-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724160648 1424698073 /nfs/dbraw/zinc/69/80/73/1424698073.db2.gz DWKQMSKTWRXTQU-PVTFFILZSA-N 2 2 346.519 3.407 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724160648 1424698075 /nfs/dbraw/zinc/69/80/75/1424698075.db2.gz DWKQMSKTWRXTQU-PVTFFILZSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161877 1424698900 /nfs/dbraw/zinc/69/89/00/1424698900.db2.gz MDCWJDGHGADTMM-HKUYNNGSSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724161877 1424698906 /nfs/dbraw/zinc/69/89/06/1424698906.db2.gz MDCWJDGHGADTMM-HKUYNNGSSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001724249495 1424755291 /nfs/dbraw/zinc/75/52/91/1424755291.db2.gz JECULNWJVCVACB-QFBILLFUSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001733551007 1429751748 /nfs/dbraw/zinc/75/17/48/1429751748.db2.gz KYQRQMUWLSELEZ-YJBOKZPZSA-N 2 2 331.504 3.351 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724333011 1424828119 /nfs/dbraw/zinc/82/81/19/1424828119.db2.gz MHWGOXBFTLJOJL-WYTZPYIFSA-N 2 2 346.519 3.409 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724333011 1424828125 /nfs/dbraw/zinc/82/81/25/1424828125.db2.gz MHWGOXBFTLJOJL-WYTZPYIFSA-N 2 2 346.519 3.409 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001724743330 1425111278 /nfs/dbraw/zinc/11/12/78/1425111278.db2.gz IKMKMCRECHGUNE-IYARVYRRSA-N 2 2 346.519 3.187 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001724743330 1425111280 /nfs/dbraw/zinc/11/12/80/1425111280.db2.gz IKMKMCRECHGUNE-IYARVYRRSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001725095558 1425538903 /nfs/dbraw/zinc/53/89/03/1425538903.db2.gz MNMUMYDNNDAVOX-KBPBESRZSA-N 2 2 328.460 3.240 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001725363337 1426013532 /nfs/dbraw/zinc/01/35/32/1426013532.db2.gz FJMWFVUSBWJGPL-QLBHFUSHSA-N 2 2 346.519 3.145 10 0 EGAELP C[C@H](CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001725680029 1426367706 /nfs/dbraw/zinc/36/77/06/1426367706.db2.gz WBTPGBDLZVENMJ-SJORKVTESA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683531 1426371266 /nfs/dbraw/zinc/37/12/66/1426371266.db2.gz XGRUQEMCMCEYSM-WBVHZDCISA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683531 1426371268 /nfs/dbraw/zinc/37/12/68/1426371268.db2.gz XGRUQEMCMCEYSM-WBVHZDCISA-N 2 2 348.535 3.241 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001731488907 1427463272 /nfs/dbraw/zinc/46/32/72/1427463272.db2.gz VRLCOZXEKBEZLT-KANFNMMFSA-N 2 2 340.471 3.222 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CC3CCC(C)CC3)ccn12 ZINC001731591513 1427633566 /nfs/dbraw/zinc/63/35/66/1427633566.db2.gz GLXZYTQQSKIQLW-ISXOHVOVSA-N 2 2 342.487 3.177 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCCc2ccccc2)c(C)[nH+]1 ZINC001731605353 1427650260 /nfs/dbraw/zinc/65/02/60/1427650260.db2.gz CZUHTUQNUWDKLO-QGZVFWFLSA-N 2 2 339.483 3.348 10 0 EGAELP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720206 1427788276 /nfs/dbraw/zinc/78/82/76/1427788276.db2.gz MLBBKPMTCIJVTK-IWAYRVGRSA-N 2 2 346.519 3.357 10 0 EGAELP CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731720206 1427788286 /nfs/dbraw/zinc/78/82/86/1427788286.db2.gz MLBBKPMTCIJVTK-IWAYRVGRSA-N 2 2 346.519 3.357 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](C)CC(C)C ZINC001733598298 1429797748 /nfs/dbraw/zinc/79/77/48/1429797748.db2.gz GLQHATOQWJGLGG-KFKAGJAMSA-N 2 2 346.519 3.008 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CC(C)C ZINC001733598298 1429797753 /nfs/dbraw/zinc/79/77/53/1429797753.db2.gz GLQHATOQWJGLGG-KFKAGJAMSA-N 2 2 346.519 3.008 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001733974546 1437774381 /nfs/dbraw/zinc/77/43/81/1437774381.db2.gz VQQPVIOGDYCGQY-HZPDHXFCSA-N 2 2 342.487 3.319 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CC2CCCCCC2)CCCCC1 ZINC001734096069 1437880216 /nfs/dbraw/zinc/88/02/16/1437880216.db2.gz NTQCPHPKXJWDNZ-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001734241529 1437956104 /nfs/dbraw/zinc/95/61/04/1437956104.db2.gz FNXYIEXTVAWVKE-DLBZAZTESA-N 2 2 348.535 3.146 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001734244297 1437957960 /nfs/dbraw/zinc/95/79/60/1437957960.db2.gz DLMFFAUXYPNYOW-CYBMUJFWSA-N 2 2 346.500 3.152 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734393474 1438079927 /nfs/dbraw/zinc/07/99/27/1438079927.db2.gz WBFFXJFYRWCHJN-SJLPKXTDSA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001734596190 1438180768 /nfs/dbraw/zinc/18/07/68/1438180768.db2.gz IDSXQPGIRHLCJY-CTWPCTMYSA-N 2 2 346.519 3.240 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098604 168311011 /nfs/dbraw/zinc/31/10/11/168311011.db2.gz CANIYRKTCLTEDU-FZMZJTMJSA-N 2 2 339.468 3.445 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098604 168311014 /nfs/dbraw/zinc/31/10/14/168311014.db2.gz CANIYRKTCLTEDU-FZMZJTMJSA-N 2 2 339.468 3.445 10 0 EGAELP CC[N@H+](C[C@H](O)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368394281 168350141 /nfs/dbraw/zinc/35/01/41/168350141.db2.gz UJAHJQKLFKWRIJ-SFHVURJKSA-N 2 2 348.535 3.216 10 0 EGAELP CC[N@@H+](C[C@H](O)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368394281 168350145 /nfs/dbraw/zinc/35/01/45/168350145.db2.gz UJAHJQKLFKWRIJ-SFHVURJKSA-N 2 2 348.535 3.216 10 0 EGAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414965058 309111859 /nfs/dbraw/zinc/11/18/59/309111859.db2.gz YZUQHILLMBIYJS-BXKDBHETSA-N 2 2 349.219 3.281 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000034118496 202272173 /nfs/dbraw/zinc/27/21/73/202272173.db2.gz PSFCULPJDVAHSZ-MOPGFXCFSA-N 2 2 348.531 3.106 10 0 EGAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000034118496 202272178 /nfs/dbraw/zinc/27/21/78/202272178.db2.gz PSFCULPJDVAHSZ-MOPGFXCFSA-N 2 2 348.531 3.106 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000130601982 223164222 /nfs/dbraw/zinc/16/42/22/223164222.db2.gz NVDBNYNELBUROM-INIZCTEOSA-N 2 2 325.460 3.237 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000130601982 223164224 /nfs/dbraw/zinc/16/42/24/223164224.db2.gz NVDBNYNELBUROM-INIZCTEOSA-N 2 2 325.460 3.237 10 0 EGAELP COc1ccc2oc(C[NH2+][C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cc2c1 ZINC000275498247 201283838 /nfs/dbraw/zinc/28/38/38/201283838.db2.gz JMJKRAGJQOFCJT-KUHUBIRLSA-N 2 2 341.411 3.185 10 0 EGAELP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000289413875 201337507 /nfs/dbraw/zinc/33/75/07/201337507.db2.gz ANWNPNSHSBXTMI-LJQANCHMSA-N 2 2 341.503 3.251 10 0 EGAELP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000289413875 201337509 /nfs/dbraw/zinc/33/75/09/201337509.db2.gz ANWNPNSHSBXTMI-LJQANCHMSA-N 2 2 341.503 3.251 10 0 EGAELP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042615211 204116297 /nfs/dbraw/zinc/11/62/97/204116297.db2.gz ZIXNUELOXNXHSH-GFCCVEGCSA-N 2 2 333.270 3.179 10 0 EGAELP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042615211 204116301 /nfs/dbraw/zinc/11/63/01/204116301.db2.gz ZIXNUELOXNXHSH-GFCCVEGCSA-N 2 2 333.270 3.179 10 0 EGAELP CCC(CC)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042615209 204117154 /nfs/dbraw/zinc/11/71/54/204117154.db2.gz ZIXNUELOXNXHSH-LBPRGKRZSA-N 2 2 333.270 3.179 10 0 EGAELP CCC(CC)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042615209 204117157 /nfs/dbraw/zinc/11/71/57/204117157.db2.gz ZIXNUELOXNXHSH-LBPRGKRZSA-N 2 2 333.270 3.179 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000106214335 204187835 /nfs/dbraw/zinc/18/78/35/204187835.db2.gz FYJOMVPPRGTHIH-QGZVFWFLSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000106214335 204187839 /nfs/dbraw/zinc/18/78/39/204187839.db2.gz FYJOMVPPRGTHIH-QGZVFWFLSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000111229458 204343604 /nfs/dbraw/zinc/34/36/04/204343604.db2.gz ANARPWLNIDGKSJ-GOSISDBHSA-N 2 2 329.492 3.458 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000111229458 204343608 /nfs/dbraw/zinc/34/36/08/204343608.db2.gz ANARPWLNIDGKSJ-GOSISDBHSA-N 2 2 329.492 3.458 10 0 EGAELP c1cn(-c2cc(C[NH2+]Cc3ccc(OCC4CC4)cc3)ccn2)c[nH+]1 ZINC000377256549 169002715 /nfs/dbraw/zinc/00/27/15/169002715.db2.gz LIIXTHLGAWZCCX-UHFFFAOYSA-N 2 2 334.423 3.346 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)[nH+]1 ZINC000408462586 169178562 /nfs/dbraw/zinc/17/85/62/169178562.db2.gz DQPBFZLLXKUIMA-LRDDRELGSA-N 2 2 327.432 3.318 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057882 207290562 /nfs/dbraw/zinc/29/05/62/207290562.db2.gz SIPUTTMSXWGDHC-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057882 207290565 /nfs/dbraw/zinc/29/05/65/207290565.db2.gz SIPUTTMSXWGDHC-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057882 207290570 /nfs/dbraw/zinc/29/05/70/207290570.db2.gz SIPUTTMSXWGDHC-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057882 207290575 /nfs/dbraw/zinc/29/05/75/207290575.db2.gz SIPUTTMSXWGDHC-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177108016 207294727 /nfs/dbraw/zinc/29/47/27/207294727.db2.gz ADZQFMNDNRLJEW-QFBILLFUSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177108016 207294730 /nfs/dbraw/zinc/29/47/30/207294730.db2.gz ADZQFMNDNRLJEW-QFBILLFUSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107995 207295475 /nfs/dbraw/zinc/29/54/75/207295475.db2.gz ADZQFMNDNRLJEW-VQIMIIECSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107995 207295477 /nfs/dbraw/zinc/29/54/77/207295477.db2.gz ADZQFMNDNRLJEW-VQIMIIECSA-N 2 2 334.423 3.229 10 0 EGAELP C[N@H+](CCOc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328627239 258031596 /nfs/dbraw/zinc/03/15/96/258031596.db2.gz FXCCKRBXDFWPLD-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328627239 258031597 /nfs/dbraw/zinc/03/15/97/258031597.db2.gz FXCCKRBXDFWPLD-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[NH+](CCOc1ccccc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328627239 258031598 /nfs/dbraw/zinc/03/15/98/258031598.db2.gz FXCCKRBXDFWPLD-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[NH+](CCOc1ccccc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328627239 258031599 /nfs/dbraw/zinc/03/15/99/258031599.db2.gz FXCCKRBXDFWPLD-PXNSSMCTSA-N 2 2 343.446 3.224 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255778 141145021 /nfs/dbraw/zinc/14/50/21/141145021.db2.gz QZCLNQNUCNVBDC-WMLDXEAASA-N 2 2 347.409 3.293 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341255778 141145022 /nfs/dbraw/zinc/14/50/22/141145022.db2.gz QZCLNQNUCNVBDC-WMLDXEAASA-N 2 2 347.409 3.293 10 0 EGAELP C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347941848 141222172 /nfs/dbraw/zinc/22/21/72/141222172.db2.gz AKOVUXXSDIWSNF-HUUCEWRRSA-N 2 2 348.560 3.484 10 0 EGAELP C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347941848 141222173 /nfs/dbraw/zinc/22/21/73/141222173.db2.gz AKOVUXXSDIWSNF-HUUCEWRRSA-N 2 2 348.560 3.484 10 0 EGAELP C[C@@H](CCC(C)(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000348026835 141234136 /nfs/dbraw/zinc/23/41/36/141234136.db2.gz SVPLJVCUMKOHQB-HTUJPFKRSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@@H](CCC(C)(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000348026835 141234137 /nfs/dbraw/zinc/23/41/37/141234137.db2.gz SVPLJVCUMKOHQB-HTUJPFKRSA-N 2 2 349.563 3.218 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000178287840 144068545 /nfs/dbraw/zinc/06/85/45/144068545.db2.gz VEHVQJQWQQBWDA-QGZVFWFLSA-N 2 2 340.471 3.418 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000178287840 144068546 /nfs/dbraw/zinc/06/85/46/144068546.db2.gz VEHVQJQWQQBWDA-QGZVFWFLSA-N 2 2 340.471 3.418 10 0 EGAELP Cc1nocc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351508361 144271235 /nfs/dbraw/zinc/27/12/35/144271235.db2.gz HFMHHUXFUSOUAH-HXUWFJFHSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351508361 144271236 /nfs/dbraw/zinc/27/12/36/144271236.db2.gz HFMHHUXFUSOUAH-HXUWFJFHSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351508361 144271238 /nfs/dbraw/zinc/27/12/38/144271238.db2.gz HFMHHUXFUSOUAH-HXUWFJFHSA-N 2 2 325.456 3.471 10 0 EGAELP Cc1nocc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351508361 144271240 /nfs/dbraw/zinc/27/12/40/144271240.db2.gz HFMHHUXFUSOUAH-HXUWFJFHSA-N 2 2 325.456 3.471 10 0 EGAELP Fc1cccc(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341473278 155312160 /nfs/dbraw/zinc/31/21/60/155312160.db2.gz ITMWMDKUFZKVIX-UHFFFAOYSA-N 2 2 327.447 3.408 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CCc3ccc4ccccc4n3)CC2)nc1 ZINC000341476065 155312435 /nfs/dbraw/zinc/31/24/35/155312435.db2.gz CFRYBQMBCRILKA-UHFFFAOYSA-N 2 2 346.478 3.427 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(Cl)ccc2F)nc[nH+]1 ZINC000119116078 152175080 /nfs/dbraw/zinc/17/50/80/152175080.db2.gz ICKHGYQBSOQOQU-AWEZNQCLSA-N 2 2 349.841 3.069 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154820990 152600733 /nfs/dbraw/zinc/60/07/33/152600733.db2.gz DOOOENRUJVXSCM-QGZVFWFLSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188657175 153026388 /nfs/dbraw/zinc/02/63/88/153026388.db2.gz FZIZUELQILMXRK-QMMLZNLJSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188657175 153026391 /nfs/dbraw/zinc/02/63/91/153026391.db2.gz FZIZUELQILMXRK-QMMLZNLJSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000188754293 153032002 /nfs/dbraw/zinc/03/20/02/153032002.db2.gz DUHCKVYSQQNFEZ-INIZCTEOSA-N 2 2 346.523 3.047 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191304506 153186330 /nfs/dbraw/zinc/18/63/30/153186330.db2.gz SXTDIACWEQNHSJ-CQSZACIVSA-N 2 2 338.459 3.378 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000194734992 153355546 /nfs/dbraw/zinc/35/55/46/153355546.db2.gz MZHYQCXYAZDGNW-MRXNPFEDSA-N 2 2 347.478 3.269 10 0 EGAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504536 154386859 /nfs/dbraw/zinc/38/68/59/154386859.db2.gz YBJZBTVWSZPDMW-RDJZCZTQSA-N 2 2 333.476 3.131 10 0 EGAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504536 154386861 /nfs/dbraw/zinc/38/68/61/154386861.db2.gz YBJZBTVWSZPDMW-RDJZCZTQSA-N 2 2 333.476 3.131 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]1c1ccccc1 ZINC000340108326 155100514 /nfs/dbraw/zinc/10/05/14/155100514.db2.gz HJKIDYVGRYHUSQ-RTWAWAEBSA-N 2 2 332.451 3.407 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]1c1ccccc1 ZINC000340108326 155100520 /nfs/dbraw/zinc/10/05/20/155100520.db2.gz HJKIDYVGRYHUSQ-RTWAWAEBSA-N 2 2 332.451 3.407 10 0 EGAELP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126973 156361389 /nfs/dbraw/zinc/36/13/89/156361389.db2.gz HDEKRYMITKFXFD-HOCLYGCPSA-N 2 2 331.435 3.236 10 0 EGAELP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000349126973 156361394 /nfs/dbraw/zinc/36/13/94/156361394.db2.gz HDEKRYMITKFXFD-HOCLYGCPSA-N 2 2 331.435 3.236 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000248397614 163000682 /nfs/dbraw/zinc/00/06/82/163000682.db2.gz IERBOOIMOAPRGC-SUMWQHHRSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000248397614 163000684 /nfs/dbraw/zinc/00/06/84/163000684.db2.gz IERBOOIMOAPRGC-SUMWQHHRSA-N 2 2 347.846 3.406 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248806722 163035187 /nfs/dbraw/zinc/03/51/87/163035187.db2.gz BPWMJFYAVJYHPT-ICSRJNTNSA-N 2 2 325.456 3.308 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248806722 163035190 /nfs/dbraw/zinc/03/51/90/163035190.db2.gz BPWMJFYAVJYHPT-ICSRJNTNSA-N 2 2 325.456 3.308 10 0 EGAELP COc1cccc([C@@H]2[C@@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000338634753 163298342 /nfs/dbraw/zinc/29/83/42/163298342.db2.gz ZPJURDOILAMSQQ-LEWJYISDSA-N 2 2 343.515 3.049 10 0 EGAELP COc1cccc([C@@H]2[C@@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000338634753 163298345 /nfs/dbraw/zinc/29/83/45/163298345.db2.gz ZPJURDOILAMSQQ-LEWJYISDSA-N 2 2 343.515 3.049 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346159801 164352874 /nfs/dbraw/zinc/35/28/74/164352874.db2.gz DCOFQKXUOFCUJN-HNNXBMFYSA-N 2 2 333.457 3.240 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346159801 164352877 /nfs/dbraw/zinc/35/28/77/164352877.db2.gz DCOFQKXUOFCUJN-HNNXBMFYSA-N 2 2 333.457 3.240 10 0 EGAELP C[C@H](N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)C(F)(F)F ZINC000346163204 164354360 /nfs/dbraw/zinc/35/43/60/164354360.db2.gz FSZUPMFDEFQKHJ-LBPRGKRZSA-N 2 2 344.406 3.002 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CCO)c1ccccc1 ZINC000346192203 164359896 /nfs/dbraw/zinc/35/98/96/164359896.db2.gz DKIRPKYFQHQBPF-GOSISDBHSA-N 2 2 327.453 3.489 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CCO)c1ccccc1 ZINC000346192203 164359897 /nfs/dbraw/zinc/35/98/97/164359897.db2.gz DKIRPKYFQHQBPF-GOSISDBHSA-N 2 2 327.453 3.489 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346278005 164364202 /nfs/dbraw/zinc/36/42/02/164364202.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 2 2 326.488 3.349 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346278005 164364204 /nfs/dbraw/zinc/36/42/04/164364204.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000346278005 164364206 /nfs/dbraw/zinc/36/42/06/164364206.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000346278005 164364208 /nfs/dbraw/zinc/36/42/08/164364208.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351332643 165098046 /nfs/dbraw/zinc/09/80/46/165098046.db2.gz UEJQUGHEILADIE-UHFFFAOYSA-N 2 2 343.515 3.484 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccn2CCC(C)C)CC1 ZINC000355655499 166274640 /nfs/dbraw/zinc/27/46/40/166274640.db2.gz UEHGQYIHVVPDLQ-UHFFFAOYSA-N 2 2 342.487 3.260 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000360329943 167304207 /nfs/dbraw/zinc/30/42/07/167304207.db2.gz QDUWMXZETSJXSZ-SEPFQZFQSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000360329943 167304211 /nfs/dbraw/zinc/30/42/11/167304211.db2.gz QDUWMXZETSJXSZ-SEPFQZFQSA-N 2 2 336.479 3.145 10 0 EGAELP Cc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174145985 265027509 /nfs/dbraw/zinc/02/75/09/265027509.db2.gz KUTFFKRAKILOQL-UHFFFAOYSA-N 2 2 344.503 3.067 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000174776098 265071238 /nfs/dbraw/zinc/07/12/38/265071238.db2.gz KQMIGJZGFBLYFS-AOIWGVFYSA-N 2 2 343.515 3.016 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000174776098 265071243 /nfs/dbraw/zinc/07/12/43/265071243.db2.gz KQMIGJZGFBLYFS-AOIWGVFYSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000174776098 265071244 /nfs/dbraw/zinc/07/12/44/265071244.db2.gz KQMIGJZGFBLYFS-AOIWGVFYSA-N 2 2 343.515 3.016 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000174776098 265071250 /nfs/dbraw/zinc/07/12/50/265071250.db2.gz KQMIGJZGFBLYFS-AOIWGVFYSA-N 2 2 343.515 3.016 10 0 EGAELP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000358985979 275073149 /nfs/dbraw/zinc/07/31/49/275073149.db2.gz KYZHFRFXKVGTIJ-MAUKXSAKSA-N 2 2 333.439 3.051 10 0 EGAELP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278893063 275285187 /nfs/dbraw/zinc/28/51/87/275285187.db2.gz DXUMBMBGLBFFTP-JGGQBBKZSA-N 2 2 332.473 3.072 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687817 275349987 /nfs/dbraw/zinc/34/99/87/275349987.db2.gz BJBILYXMTASUIU-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687817 275349989 /nfs/dbraw/zinc/34/99/89/275349989.db2.gz BJBILYXMTASUIU-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687817 275349990 /nfs/dbraw/zinc/34/99/90/275349990.db2.gz BJBILYXMTASUIU-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687817 275349992 /nfs/dbraw/zinc/34/99/92/275349992.db2.gz BJBILYXMTASUIU-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H]1C ZINC000280398608 275446280 /nfs/dbraw/zinc/44/62/80/275446280.db2.gz VLEWNBGOMHJRAS-HRCADAONSA-N 2 2 343.471 3.073 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482723 276216744 /nfs/dbraw/zinc/21/67/44/276216744.db2.gz HGXVBNTWAUGRRR-YJNKEBTESA-N 3 2 347.469 3.112 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482723 276216745 /nfs/dbraw/zinc/21/67/45/276216745.db2.gz HGXVBNTWAUGRRR-YJNKEBTESA-N 3 2 347.469 3.112 10 0 EGAELP COc1cncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000289504569 276349241 /nfs/dbraw/zinc/34/92/41/276349241.db2.gz ULNGZNCXXFJWBQ-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP COc1cncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000289504569 276349242 /nfs/dbraw/zinc/34/92/42/276349242.db2.gz ULNGZNCXXFJWBQ-MRXNPFEDSA-N 2 2 326.444 3.003 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2n1C ZINC000366379049 282058433 /nfs/dbraw/zinc/05/84/33/282058433.db2.gz UBVZDNDFZGBBIM-QUCCMNQESA-N 2 2 348.450 3.057 10 0 EGAELP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2n1C ZINC000366379049 282058434 /nfs/dbraw/zinc/05/84/34/282058434.db2.gz UBVZDNDFZGBBIM-QUCCMNQESA-N 2 2 348.450 3.057 10 0 EGAELP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075262531 307398531 /nfs/dbraw/zinc/39/85/31/307398531.db2.gz WOUYNCNNHONGPJ-SJORKVTESA-N 2 2 340.471 3.314 10 0 EGAELP Fc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1Br ZINC000127415906 307584873 /nfs/dbraw/zinc/58/48/73/307584873.db2.gz PRCYUZUAXACTER-UHFFFAOYSA-N 2 2 326.213 3.355 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000414334593 309073465 /nfs/dbraw/zinc/07/34/65/309073465.db2.gz XLFCSOMLQVNGII-CYBMUJFWSA-N 2 2 346.500 3.207 10 0 EGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853981 308264433 /nfs/dbraw/zinc/26/44/33/308264433.db2.gz BJZOPGWFPQEVSZ-CZUORRHYSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853981 308264435 /nfs/dbraw/zinc/26/44/35/308264435.db2.gz BJZOPGWFPQEVSZ-CZUORRHYSA-N 2 2 347.846 3.406 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000295179217 308300129 /nfs/dbraw/zinc/30/01/29/308300129.db2.gz MNEVMJYGTQXUNH-UHFFFAOYSA-N 2 2 340.471 3.151 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295854210 308367440 /nfs/dbraw/zinc/36/74/40/308367440.db2.gz BDZDQVCTWNVSOK-VAMGGRTRSA-N 2 2 338.499 3.293 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295854210 308367442 /nfs/dbraw/zinc/36/74/42/308367442.db2.gz BDZDQVCTWNVSOK-VAMGGRTRSA-N 2 2 338.499 3.293 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000414733455 309097894 /nfs/dbraw/zinc/09/78/94/309097894.db2.gz BBGIOKITKGTBKD-CRAIPNDOSA-N 2 2 349.906 3.461 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414826523 309104062 /nfs/dbraw/zinc/10/40/62/309104062.db2.gz FPMNMYZUYARVID-FUHWJXTLSA-N 2 2 325.456 3.310 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Br)cc2Cl)c1 ZINC000313250535 308765003 /nfs/dbraw/zinc/76/50/03/308765003.db2.gz JLHNZSWMIRSFDU-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP COc1cccc(C[NH2+]CC2([NH3+])CCCCCC2)c1OC(F)F ZINC000414861271 309106128 /nfs/dbraw/zinc/10/61/28/309106128.db2.gz RUAQXBYPOXNNJJ-UHFFFAOYSA-N 2 2 328.403 3.438 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414921124 309109544 /nfs/dbraw/zinc/10/95/44/309109544.db2.gz DEJLYDIAYBNXPA-YWPYICTPSA-N 2 2 343.393 3.010 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414939131 309110277 /nfs/dbraw/zinc/11/02/77/309110277.db2.gz WRNUVRPVYAZHCN-WFASDCNBSA-N 2 2 326.868 3.225 10 0 EGAELP Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000415039148 309115854 /nfs/dbraw/zinc/11/58/54/309115854.db2.gz IXNZDSAVEGSVRI-JSGCOSHPSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000415039148 309115855 /nfs/dbraw/zinc/11/58/55/309115855.db2.gz IXNZDSAVEGSVRI-JSGCOSHPSA-N 2 2 339.277 3.119 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357621 309283943 /nfs/dbraw/zinc/28/39/43/309283943.db2.gz DRFZEWIROHSGET-OXQOHEQNSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357621 309283944 /nfs/dbraw/zinc/28/39/44/309283944.db2.gz DRFZEWIROHSGET-OXQOHEQNSA-N 2 2 329.488 3.213 10 0 EGAELP c1cncc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420953459 309303932 /nfs/dbraw/zinc/30/39/32/309303932.db2.gz VEBWOKIVPRQTKQ-NRFANRHFSA-N 2 2 337.467 3.155 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)nc1 ZINC000421392626 309322584 /nfs/dbraw/zinc/32/25/84/309322584.db2.gz XVFJMGAEEPYJNQ-MRXNPFEDSA-N 2 2 331.529 3.169 10 0 EGAELP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000422725215 309365096 /nfs/dbraw/zinc/36/50/96/309365096.db2.gz AVWJSJQURIOCBU-IAGOWNOFSA-N 2 2 340.870 3.113 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N)O[C@H](C)C2 ZINC000422778016 309367861 /nfs/dbraw/zinc/36/78/61/309367861.db2.gz GUOTVECSERPHOX-OLZOCXBDSA-N 2 2 327.428 3.067 10 0 EGAELP COc1cccc(-c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)cc2)c1 ZINC000422794303 309368679 /nfs/dbraw/zinc/36/86/79/309368679.db2.gz UBXBJJKNXMWKTM-UZLBHIALSA-N 2 2 340.467 3.219 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2csc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000422819955 309370152 /nfs/dbraw/zinc/37/01/52/309370152.db2.gz ONRRIBOYZAXHDT-QZTJIDSGSA-N 2 2 331.485 3.086 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833447 309370833 /nfs/dbraw/zinc/37/08/33/309370833.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 3 2 330.501 3.118 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833447 309370834 /nfs/dbraw/zinc/37/08/34/309370834.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 3 2 330.501 3.118 10 0 EGAELP c1sc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1C1CCCCC1 ZINC000422909375 309375612 /nfs/dbraw/zinc/37/56/12/309375612.db2.gz FSOBSROEQMNGDA-PKOBYXMFSA-N 2 2 349.544 3.090 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCSCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423016394 309381115 /nfs/dbraw/zinc/38/11/15/309381115.db2.gz MOQGBLNIJCXBNJ-HUUCEWRRSA-N 2 2 348.434 3.373 10 0 EGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000423062538 309383686 /nfs/dbraw/zinc/38/36/86/309383686.db2.gz UMYFAGSVQAXXQP-CSMYWGQOSA-N 2 2 342.405 3.166 10 0 EGAELP Clc1ccc(CCCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000423105107 309386188 /nfs/dbraw/zinc/38/61/88/309386188.db2.gz NCTHPMCUSALYQN-HOCLYGCPSA-N 2 2 328.909 3.081 10 0 EGAELP COCC1(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000423140114 309387952 /nfs/dbraw/zinc/38/79/52/309387952.db2.gz XJLFOJCBYGZYFV-MOPGFXCFSA-N 2 2 332.488 3.285 10 0 EGAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC)cc1 ZINC000423224027 309391195 /nfs/dbraw/zinc/39/11/95/309391195.db2.gz BIHBYGYKMXTCJO-SFHVURJKSA-N 2 2 326.444 3.063 10 0 EGAELP Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230400 309391315 /nfs/dbraw/zinc/39/13/15/309391315.db2.gz JELJVPFBGBFPOZ-GOSISDBHSA-N 2 2 326.419 3.120 10 0 EGAELP Fc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCC2 ZINC000423233060 309391577 /nfs/dbraw/zinc/39/15/77/309391577.db2.gz NSIAEGXLAQRQRU-SFHVURJKSA-N 2 2 326.419 3.120 10 0 EGAELP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423272089 309393461 /nfs/dbraw/zinc/39/34/61/309393461.db2.gz YJTIMFXELUHASZ-ACJLOTCBSA-N 2 2 347.894 3.479 10 0 EGAELP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281245 309393833 /nfs/dbraw/zinc/39/38/33/309393833.db2.gz BAPJCBGPTVKNPV-FPOVZHCZSA-N 3 2 343.515 3.144 10 0 EGAELP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423578719 309406479 /nfs/dbraw/zinc/40/64/79/309406479.db2.gz UVRDBGVIPJSYTO-AQNXPRMDSA-N 3 2 327.516 3.148 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]c3ccc(N4CC[NH+](C)CC4)cc3C)C[C@H]2C1 ZINC000424278087 309436043 /nfs/dbraw/zinc/43/60/43/309436043.db2.gz DKFSOTRVWXURNN-XGPVDZAGSA-N 2 2 343.515 3.362 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000449492883 310066718 /nfs/dbraw/zinc/06/67/18/310066718.db2.gz KIBGYMBTIBTBIM-QUCCMNQESA-N 2 2 331.504 3.087 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449515239 310068585 /nfs/dbraw/zinc/06/85/85/310068585.db2.gz YOWHEJXDCOHBST-AITUJVMLSA-N 2 2 330.472 3.143 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449515239 310068586 /nfs/dbraw/zinc/06/85/86/310068586.db2.gz YOWHEJXDCOHBST-AITUJVMLSA-N 2 2 330.472 3.143 10 0 EGAELP C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H]1C ZINC000449967328 310096480 /nfs/dbraw/zinc/09/64/80/310096480.db2.gz UDRAXAORHHAGHY-QRVBRYPASA-N 2 2 349.563 3.125 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@H](C)C2(OC)CCOCC2)[NH+](C)C)cc1 ZINC000453064498 310255543 /nfs/dbraw/zinc/25/55/43/310255543.db2.gz WOTOSOFYOZRJOW-VQIMIIECSA-N 2 2 334.504 3.025 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccccc12 ZINC000453253673 310267084 /nfs/dbraw/zinc/26/70/84/310267084.db2.gz CWHRLECPAVFSRV-SJORKVTESA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccccc12 ZINC000453253673 310267085 /nfs/dbraw/zinc/26/70/85/310267085.db2.gz CWHRLECPAVFSRV-SJORKVTESA-N 2 2 342.483 3.346 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000482451621 310932397 /nfs/dbraw/zinc/93/23/97/310932397.db2.gz JYGRKQVHSAZKTD-UHFFFAOYSA-N 2 2 336.863 3.233 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510994196 312152725 /nfs/dbraw/zinc/15/27/25/312152725.db2.gz AGRFRZUHPXOYRD-JRGCBEDISA-N 2 2 341.543 3.359 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510994196 312152726 /nfs/dbraw/zinc/15/27/26/312152726.db2.gz AGRFRZUHPXOYRD-JRGCBEDISA-N 2 2 341.543 3.359 10 0 EGAELP C[C@H]1C[C@@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000511648090 312165532 /nfs/dbraw/zinc/16/55/32/312165532.db2.gz RXXREPMZBNIBHU-FUHWJXTLSA-N 2 2 336.483 3.489 10 0 EGAELP C[C@H]1C[C@@H](CCNc2cc[nH+]c(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000511648090 312165536 /nfs/dbraw/zinc/16/55/36/312165536.db2.gz RXXREPMZBNIBHU-FUHWJXTLSA-N 2 2 336.483 3.489 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527907 313344631 /nfs/dbraw/zinc/34/46/31/313344631.db2.gz GRCGXBSQCRPTBE-YOEHRIQHSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527907 313344636 /nfs/dbraw/zinc/34/46/36/313344636.db2.gz GRCGXBSQCRPTBE-YOEHRIQHSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527907 313344640 /nfs/dbraw/zinc/34/46/40/313344640.db2.gz GRCGXBSQCRPTBE-YOEHRIQHSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527907 313344645 /nfs/dbraw/zinc/34/46/45/313344645.db2.gz GRCGXBSQCRPTBE-YOEHRIQHSA-N 2 2 338.467 3.395 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC000090172231 454289839 /nfs/dbraw/zinc/28/98/39/454289839.db2.gz XBXGLZIIHYEJJI-ZDUSSCGKSA-N 2 2 338.224 3.198 10 0 EGAELP Cc1nc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc2ccccc12 ZINC000535575271 314053624 /nfs/dbraw/zinc/05/36/24/314053624.db2.gz LJSAUPUZQLNJNK-UHFFFAOYSA-N 2 2 333.439 3.410 10 0 EGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H](C)C1CCCCC1 ZINC000543086286 314603270 /nfs/dbraw/zinc/60/32/70/314603270.db2.gz AZUUCXLWVPIZRR-RYRKJORJSA-N 2 2 346.519 3.106 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000563777514 316066944 /nfs/dbraw/zinc/06/69/44/316066944.db2.gz VFMXABTWVJKNNX-WFASDCNBSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000563777514 316066948 /nfs/dbraw/zinc/06/69/48/316066948.db2.gz VFMXABTWVJKNNX-WFASDCNBSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000563777514 316066952 /nfs/dbraw/zinc/06/69/52/316066952.db2.gz VFMXABTWVJKNNX-WFASDCNBSA-N 2 2 341.293 3.230 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000563777514 316066955 /nfs/dbraw/zinc/06/69/55/316066955.db2.gz VFMXABTWVJKNNX-WFASDCNBSA-N 2 2 341.293 3.230 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564961041 316237798 /nfs/dbraw/zinc/23/77/98/316237798.db2.gz LAOOZQCWLOVBRR-QGZVFWFLSA-N 2 2 339.487 3.215 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564961041 316237799 /nfs/dbraw/zinc/23/77/99/316237799.db2.gz LAOOZQCWLOVBRR-QGZVFWFLSA-N 2 2 339.487 3.215 10 0 EGAELP COC(=O)[C@@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000570217199 317023756 /nfs/dbraw/zinc/02/37/56/317023756.db2.gz JFLHWBBIDVMBTC-SFHVURJKSA-N 2 2 331.460 3.302 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792644 317108009 /nfs/dbraw/zinc/10/80/09/317108009.db2.gz ZHJIKDGKUKXGNZ-IHPCNDPISA-N 3 2 329.532 3.265 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792644 317108011 /nfs/dbraw/zinc/10/80/11/317108011.db2.gz ZHJIKDGKUKXGNZ-IHPCNDPISA-N 3 2 329.532 3.265 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000389813082 324280346 /nfs/dbraw/zinc/28/03/46/324280346.db2.gz HENMFSUMLZHSET-JXFKEZNVSA-N 2 2 338.451 3.083 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000389813082 324280351 /nfs/dbraw/zinc/28/03/51/324280351.db2.gz HENMFSUMLZHSET-JXFKEZNVSA-N 2 2 338.451 3.083 10 0 EGAELP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000391082091 324286445 /nfs/dbraw/zinc/28/64/45/324286445.db2.gz URXMOHXQJDLIQP-GOSISDBHSA-N 2 2 345.531 3.182 10 0 EGAELP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000391082091 324286449 /nfs/dbraw/zinc/28/64/49/324286449.db2.gz URXMOHXQJDLIQP-GOSISDBHSA-N 2 2 345.531 3.182 10 0 EGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000576221435 324570853 /nfs/dbraw/zinc/57/08/53/324570853.db2.gz JDCWLDHNHBBWGP-QFUCXCTJSA-N 2 2 342.483 3.016 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445979 325252296 /nfs/dbraw/zinc/25/22/96/325252296.db2.gz QHQPVSHNJYJJRO-SLYNCCJLSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445979 325252300 /nfs/dbraw/zinc/25/23/00/325252300.db2.gz QHQPVSHNJYJJRO-SLYNCCJLSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000583563581 325534393 /nfs/dbraw/zinc/53/43/93/325534393.db2.gz JUEKYGKOYUPJCN-AWEZNQCLSA-N 2 2 336.439 3.071 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[NH+](C2CC2)CC1 ZINC000173168896 455242356 /nfs/dbraw/zinc/24/23/56/455242356.db2.gz CTDSTOYCEXSJNG-UHFFFAOYSA-N 2 2 338.411 3.186 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000183292497 455271573 /nfs/dbraw/zinc/27/15/73/455271573.db2.gz ALORNMLDGLOVKL-QWHCGFSZSA-N 2 2 347.413 3.116 10 0 EGAELP CCCc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000183672714 455318686 /nfs/dbraw/zinc/31/86/86/455318686.db2.gz ZNWJMXIEMFQKHM-ZDUSSCGKSA-N 2 2 325.416 3.367 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@@H+]1C1CC1 ZINC000119290363 454184972 /nfs/dbraw/zinc/18/49/72/454184972.db2.gz DSNHWQKWTKDJHF-SUMWQHHRSA-N 2 2 329.419 3.238 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@H+]1C1CC1 ZINC000119290363 454184977 /nfs/dbraw/zinc/18/49/77/454184977.db2.gz DSNHWQKWTKDJHF-SUMWQHHRSA-N 2 2 329.419 3.238 10 0 EGAELP COc1ccc2c(c1)OC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420151 454207743 /nfs/dbraw/zinc/20/77/43/454207743.db2.gz RIYVUJRCOGYSCF-IBGZPJMESA-N 2 2 335.407 3.163 10 0 EGAELP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cn1 ZINC000095421524 454208280 /nfs/dbraw/zinc/20/82/80/454208280.db2.gz PVZCRUXEGHRWAH-KRWDZBQOSA-N 2 2 341.503 3.217 10 0 EGAELP Cc1cc(-c2[nH+]c(C)nc(N(C)C3CC[NH+](C)CC3)c2N)ccc1F ZINC000096282125 454316248 /nfs/dbraw/zinc/31/62/48/454316248.db2.gz ADYNTKMJLZHJFR-UHFFFAOYSA-N 2 2 343.450 3.012 10 0 EGAELP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000097022796 454389024 /nfs/dbraw/zinc/38/90/24/454389024.db2.gz GSPVQKGGWVOZNC-HNAYVOBHSA-N 2 2 343.446 3.291 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623615430 460642236 /nfs/dbraw/zinc/64/22/36/460642236.db2.gz CROJGJHTFYAHTO-LJIGWXMPSA-N 2 2 340.389 3.137 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623615430 460642242 /nfs/dbraw/zinc/64/22/42/460642242.db2.gz CROJGJHTFYAHTO-LJIGWXMPSA-N 2 2 340.389 3.137 10 0 EGAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1[nH]c2ccccc2[nH+]1 ZINC000134956983 454616598 /nfs/dbraw/zinc/61/65/98/454616598.db2.gz QSCFOHBBDCHBCW-MRXNPFEDSA-N 2 2 342.468 3.134 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000105896247 454667344 /nfs/dbraw/zinc/66/73/44/454667344.db2.gz OOSIUWSCXFOBBK-QGZVFWFLSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000105896247 454667351 /nfs/dbraw/zinc/66/73/51/454667351.db2.gz OOSIUWSCXFOBBK-QGZVFWFLSA-N 2 2 340.471 3.284 10 0 EGAELP COc1ccc(-c2nc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)co2)cc1 ZINC000123745312 454672097 /nfs/dbraw/zinc/67/20/97/454672097.db2.gz UYZDWMFNQREOKA-YOEHRIQHSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)co2)cc1 ZINC000123745312 454672099 /nfs/dbraw/zinc/67/20/99/454672099.db2.gz UYZDWMFNQREOKA-YOEHRIQHSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000123745312 454672102 /nfs/dbraw/zinc/67/21/02/454672102.db2.gz UYZDWMFNQREOKA-YOEHRIQHSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000123745312 454672108 /nfs/dbraw/zinc/67/21/08/454672108.db2.gz UYZDWMFNQREOKA-YOEHRIQHSA-N 2 2 329.444 3.265 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095717 454685605 /nfs/dbraw/zinc/68/56/05/454685605.db2.gz HUBRWWLGMPPVDI-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095717 454685608 /nfs/dbraw/zinc/68/56/08/454685608.db2.gz HUBRWWLGMPPVDI-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095717 454685611 /nfs/dbraw/zinc/68/56/11/454685611.db2.gz HUBRWWLGMPPVDI-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000081095717 454685614 /nfs/dbraw/zinc/68/56/14/454685614.db2.gz HUBRWWLGMPPVDI-PBHICJAKSA-N 2 2 337.895 3.249 10 0 EGAELP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1CC(F)F ZINC000153580557 454809368 /nfs/dbraw/zinc/80/93/68/454809368.db2.gz JRPUBVZEWZWTED-INIZCTEOSA-N 2 2 334.414 3.034 10 0 EGAELP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1CC(F)F ZINC000153580557 454809373 /nfs/dbraw/zinc/80/93/73/454809373.db2.gz JRPUBVZEWZWTED-INIZCTEOSA-N 2 2 334.414 3.034 10 0 EGAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000141187053 454827571 /nfs/dbraw/zinc/82/75/71/454827571.db2.gz JORFOQFEPOWZMD-DLBZAZTESA-N 2 2 331.257 3.376 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000141187053 454827572 /nfs/dbraw/zinc/82/75/72/454827572.db2.gz JORFOQFEPOWZMD-DLBZAZTESA-N 2 2 331.257 3.376 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000163348667 454841173 /nfs/dbraw/zinc/84/11/73/454841173.db2.gz JYSRVPMJSKZSJA-KBPBESRZSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000163348667 454841175 /nfs/dbraw/zinc/84/11/75/454841175.db2.gz JYSRVPMJSKZSJA-KBPBESRZSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437347 454847620 /nfs/dbraw/zinc/84/76/20/454847620.db2.gz IPAPABQIJAOBNH-OCCSQVGLSA-N 2 2 346.393 3.189 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437347 454847623 /nfs/dbraw/zinc/84/76/23/454847623.db2.gz IPAPABQIJAOBNH-OCCSQVGLSA-N 2 2 346.393 3.189 10 0 EGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000246305454 455467473 /nfs/dbraw/zinc/46/74/73/455467473.db2.gz DJWIHJDPBOUCFO-XTSFFQGUSA-N 2 2 341.499 3.137 10 0 EGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000246305454 455467477 /nfs/dbraw/zinc/46/74/77/455467477.db2.gz DJWIHJDPBOUCFO-XTSFFQGUSA-N 2 2 341.499 3.137 10 0 EGAELP C[C@@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064188 454932190 /nfs/dbraw/zinc/93/21/90/454932190.db2.gz GVDLBYZZILMSAL-MOPGFXCFSA-N 2 2 332.536 3.496 10 0 EGAELP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064188 454932193 /nfs/dbraw/zinc/93/21/93/454932193.db2.gz GVDLBYZZILMSAL-MOPGFXCFSA-N 2 2 332.536 3.496 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000113934935 454939494 /nfs/dbraw/zinc/93/94/94/454939494.db2.gz XBYLSIFIPWYOEW-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000113934935 454939499 /nfs/dbraw/zinc/93/94/99/454939499.db2.gz XBYLSIFIPWYOEW-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000113934935 454939503 /nfs/dbraw/zinc/93/95/03/454939503.db2.gz XBYLSIFIPWYOEW-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000113934935 454939506 /nfs/dbraw/zinc/93/95/06/454939506.db2.gz XBYLSIFIPWYOEW-QZTJIDSGSA-N 2 2 335.536 3.022 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000178308677 454947340 /nfs/dbraw/zinc/94/73/40/454947340.db2.gz JVHUEQTXCNSGLC-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000178308677 454947342 /nfs/dbraw/zinc/94/73/42/454947342.db2.gz JVHUEQTXCNSGLC-INIZCTEOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1 ZINC000178310215 454947585 /nfs/dbraw/zinc/94/75/85/454947585.db2.gz QWMLRHUNSVRQOW-OAHLLOKOSA-N 2 2 335.249 3.014 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cncc(Br)c1 ZINC000178310215 454947589 /nfs/dbraw/zinc/94/75/89/454947589.db2.gz QWMLRHUNSVRQOW-OAHLLOKOSA-N 2 2 335.249 3.014 10 0 EGAELP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000151510417 454994938 /nfs/dbraw/zinc/99/49/38/454994938.db2.gz OXBHRYQPAGOZEF-AWEZNQCLSA-N 2 2 339.468 3.453 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(OC)c1 ZINC000151531951 454998407 /nfs/dbraw/zinc/99/84/07/454998407.db2.gz FYXLGFHBDMBIIR-CQSZACIVSA-N 2 2 338.411 3.135 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000155512852 455010538 /nfs/dbraw/zinc/01/05/38/455010538.db2.gz BFJSAQDARREXDO-UHFFFAOYSA-N 2 2 346.446 3.283 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000155512852 455010539 /nfs/dbraw/zinc/01/05/39/455010539.db2.gz BFJSAQDARREXDO-UHFFFAOYSA-N 2 2 346.446 3.283 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000171521302 455075987 /nfs/dbraw/zinc/07/59/87/455075987.db2.gz SIVUMWYWGOHWNM-INIZCTEOSA-N 2 2 327.428 3.054 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000171521302 455075988 /nfs/dbraw/zinc/07/59/88/455075988.db2.gz SIVUMWYWGOHWNM-INIZCTEOSA-N 2 2 327.428 3.054 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171652520 455083345 /nfs/dbraw/zinc/08/33/45/455083345.db2.gz HIXPOZKZSLSOEQ-IRXDYDNUSA-N 2 2 338.455 3.151 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171652520 455083352 /nfs/dbraw/zinc/08/33/52/455083352.db2.gz HIXPOZKZSLSOEQ-IRXDYDNUSA-N 2 2 338.455 3.151 10 0 EGAELP CC[N@@H+](Cc1cnn2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179835012 455086781 /nfs/dbraw/zinc/08/67/81/455086781.db2.gz CRZZQFFZDMYONR-UHFFFAOYSA-N 2 2 349.482 3.468 10 0 EGAELP CC[N@H+](Cc1cnn2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179835012 455086785 /nfs/dbraw/zinc/08/67/85/455086785.db2.gz CRZZQFFZDMYONR-UHFFFAOYSA-N 2 2 349.482 3.468 10 0 EGAELP Cc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1Cl ZINC000180431485 455169335 /nfs/dbraw/zinc/16/93/35/455169335.db2.gz JTSVSRAYLATBCW-UHFFFAOYSA-N 2 2 346.906 3.441 10 0 EGAELP Cc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1Cl ZINC000180431485 455169337 /nfs/dbraw/zinc/16/93/37/455169337.db2.gz JTSVSRAYLATBCW-UHFFFAOYSA-N 2 2 346.906 3.441 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648286 455217244 /nfs/dbraw/zinc/21/72/44/455217244.db2.gz ZMTGBQLMVBHYOJ-INIZCTEOSA-N 2 2 346.434 3.112 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422222 455293641 /nfs/dbraw/zinc/29/36/41/455293641.db2.gz IPEBGVHWYMTLED-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422222 455293647 /nfs/dbraw/zinc/29/36/47/455293647.db2.gz IPEBGVHWYMTLED-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422222 455293653 /nfs/dbraw/zinc/29/36/53/455293653.db2.gz IPEBGVHWYMTLED-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422222 455293656 /nfs/dbraw/zinc/29/36/56/455293656.db2.gz IPEBGVHWYMTLED-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)o2)cc1 ZINC000158558202 455312728 /nfs/dbraw/zinc/31/27/28/455312728.db2.gz HUNGMBUNWZDZLI-AEFFLSMTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)o2)cc1 ZINC000158558202 455312733 /nfs/dbraw/zinc/31/27/33/455312733.db2.gz HUNGMBUNWZDZLI-AEFFLSMTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000158558202 455312739 /nfs/dbraw/zinc/31/27/39/455312739.db2.gz HUNGMBUNWZDZLI-AEFFLSMTSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)o2)cc1 ZINC000158558202 455312741 /nfs/dbraw/zinc/31/27/41/455312741.db2.gz HUNGMBUNWZDZLI-AEFFLSMTSA-N 2 2 341.455 3.266 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000190464132 455324392 /nfs/dbraw/zinc/32/43/92/455324392.db2.gz HWAZRBRHAISMFQ-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC000190464132 455324397 /nfs/dbraw/zinc/32/43/97/455324397.db2.gz HWAZRBRHAISMFQ-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000190464132 455324401 /nfs/dbraw/zinc/32/44/01/455324401.db2.gz HWAZRBRHAISMFQ-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000190464132 455324404 /nfs/dbraw/zinc/32/44/04/455324404.db2.gz HWAZRBRHAISMFQ-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181675555 455370528 /nfs/dbraw/zinc/37/05/28/455370528.db2.gz QDMKGIDUJDICFH-ZBFHGGJFSA-N 2 2 332.444 3.203 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181675555 455370533 /nfs/dbraw/zinc/37/05/33/455370533.db2.gz QDMKGIDUJDICFH-ZBFHGGJFSA-N 2 2 332.444 3.203 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000182018404 455417312 /nfs/dbraw/zinc/41/73/12/455417312.db2.gz IERBOOIMOAPRGC-GUYCJALGSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000182018404 455417314 /nfs/dbraw/zinc/41/73/14/455417314.db2.gz IERBOOIMOAPRGC-GUYCJALGSA-N 2 2 347.846 3.406 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266732734 455444560 /nfs/dbraw/zinc/44/45/60/455444560.db2.gz JYHQRZPKRHGXKF-UHFFFAOYSA-N 2 2 340.471 3.026 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000246230712 455453520 /nfs/dbraw/zinc/45/35/20/455453520.db2.gz MQAZMBDIYCNECE-MAUKXSAKSA-N 2 2 326.440 3.011 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000246230712 455453523 /nfs/dbraw/zinc/45/35/23/455453523.db2.gz MQAZMBDIYCNECE-MAUKXSAKSA-N 2 2 326.440 3.011 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246877648 455532068 /nfs/dbraw/zinc/53/20/68/455532068.db2.gz CXJMTFKPQMPZLJ-ARFHVFGLSA-N 2 2 347.528 3.489 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246877648 455532071 /nfs/dbraw/zinc/53/20/71/455532071.db2.gz CXJMTFKPQMPZLJ-ARFHVFGLSA-N 2 2 347.528 3.489 10 0 EGAELP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182562887 455541895 /nfs/dbraw/zinc/54/18/95/455541895.db2.gz AEXGEMIEMAQCGE-LATSOQNDSA-N 2 2 331.479 3.130 10 0 EGAELP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182562887 455541898 /nfs/dbraw/zinc/54/18/98/455541898.db2.gz AEXGEMIEMAQCGE-LATSOQNDSA-N 2 2 331.479 3.130 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247026116 455546656 /nfs/dbraw/zinc/54/66/56/455546656.db2.gz LYJBGKOAYYADSN-DYESRHJHSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247026116 455546661 /nfs/dbraw/zinc/54/66/61/455546661.db2.gz LYJBGKOAYYADSN-DYESRHJHSA-N 2 2 339.483 3.133 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247120720 455562520 /nfs/dbraw/zinc/56/25/20/455562520.db2.gz MNIJSVWBLIGTNG-QAPCUYQASA-N 2 2 340.471 3.276 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247120720 455562523 /nfs/dbraw/zinc/56/25/23/455562523.db2.gz MNIJSVWBLIGTNG-QAPCUYQASA-N 2 2 340.471 3.276 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000248160567 455691303 /nfs/dbraw/zinc/69/13/03/455691303.db2.gz SAFYQNBDWMDMGG-UONOGXRCSA-N 2 2 349.504 3.480 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000248160567 455691309 /nfs/dbraw/zinc/69/13/09/455691309.db2.gz SAFYQNBDWMDMGG-UONOGXRCSA-N 2 2 349.504 3.480 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248184125 455694853 /nfs/dbraw/zinc/69/48/53/455694853.db2.gz WYZNBEWGOXNMKH-KGLIPLIRSA-N 2 2 347.488 3.213 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248184125 455694858 /nfs/dbraw/zinc/69/48/58/455694858.db2.gz WYZNBEWGOXNMKH-KGLIPLIRSA-N 2 2 347.488 3.213 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000249016345 455741887 /nfs/dbraw/zinc/74/18/87/455741887.db2.gz PQDYOELGQWNSNU-YZGWKJHDSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000249016345 455741889 /nfs/dbraw/zinc/74/18/89/455741889.db2.gz PQDYOELGQWNSNU-YZGWKJHDSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249391040 455752392 /nfs/dbraw/zinc/75/23/92/455752392.db2.gz FZIZUELQILMXRK-JRGCBEDISA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249391040 455752398 /nfs/dbraw/zinc/75/23/98/455752398.db2.gz FZIZUELQILMXRK-JRGCBEDISA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000249399882 455753982 /nfs/dbraw/zinc/75/39/82/455753982.db2.gz UTJKNIKCCOLVML-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000249399882 455753988 /nfs/dbraw/zinc/75/39/88/455753988.db2.gz UTJKNIKCCOLVML-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000250208571 455786657 /nfs/dbraw/zinc/78/66/57/455786657.db2.gz LTZJTKFNHQFXRL-ZBFHGGJFSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000250208571 455786662 /nfs/dbraw/zinc/78/66/62/455786662.db2.gz LTZJTKFNHQFXRL-ZBFHGGJFSA-N 2 2 325.460 3.379 10 0 EGAELP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253416032 455841554 /nfs/dbraw/zinc/84/15/54/455841554.db2.gz NSBLRDUUYODXFV-LEWJYISDSA-N 2 2 340.515 3.204 10 0 EGAELP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000253416032 455841559 /nfs/dbraw/zinc/84/15/59/455841559.db2.gz NSBLRDUUYODXFV-LEWJYISDSA-N 2 2 340.515 3.204 10 0 EGAELP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000285481740 455855289 /nfs/dbraw/zinc/85/52/89/455855289.db2.gz CSWHZSCHGIZKFB-CRAIPNDOSA-N 2 2 327.428 3.048 10 0 EGAELP COc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000285481740 455855290 /nfs/dbraw/zinc/85/52/90/455855290.db2.gz CSWHZSCHGIZKFB-CRAIPNDOSA-N 2 2 327.428 3.048 10 0 EGAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702117 455940526 /nfs/dbraw/zinc/94/05/26/455940526.db2.gz TXPUBCWFXMVTTH-UZLBHIALSA-N 2 2 326.488 3.434 10 0 EGAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702117 455940529 /nfs/dbraw/zinc/94/05/29/455940529.db2.gz TXPUBCWFXMVTTH-UZLBHIALSA-N 2 2 326.488 3.434 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261989322 455983079 /nfs/dbraw/zinc/98/30/79/455983079.db2.gz KDNKZIGHVJJPGL-MOPGFXCFSA-N 2 2 337.458 3.033 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261989322 455983083 /nfs/dbraw/zinc/98/30/83/455983083.db2.gz KDNKZIGHVJJPGL-MOPGFXCFSA-N 2 2 337.458 3.033 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000272843557 456087650 /nfs/dbraw/zinc/08/76/50/456087650.db2.gz JDVDWDSDZKWBAN-OAHLLOKOSA-N 2 2 325.460 3.264 10 0 EGAELP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741056 456201958 /nfs/dbraw/zinc/20/19/58/456201958.db2.gz XVTAVBSQTQYWHM-CVEARBPZSA-N 2 2 345.874 3.314 10 0 EGAELP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741056 456201967 /nfs/dbraw/zinc/20/19/67/456201967.db2.gz XVTAVBSQTQYWHM-CVEARBPZSA-N 2 2 345.874 3.314 10 0 EGAELP Fc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000290140373 456250655 /nfs/dbraw/zinc/25/06/55/456250655.db2.gz CDECKHNYIGTFCQ-HNNXBMFYSA-N 2 2 346.368 3.136 10 0 EGAELP Cc1cc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)on1 ZINC000623812335 460726704 /nfs/dbraw/zinc/72/67/04/460726704.db2.gz SDFGSGLMWJUNDS-UHFFFAOYSA-N 2 2 344.440 3.026 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352813052 456329399 /nfs/dbraw/zinc/32/93/99/456329399.db2.gz IUHAFGICOZETRP-INIZCTEOSA-N 2 2 338.377 3.075 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352813052 456329401 /nfs/dbraw/zinc/32/94/01/456329401.db2.gz IUHAFGICOZETRP-INIZCTEOSA-N 2 2 338.377 3.075 10 0 EGAELP Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(-n3cc[nH+]c3)cs1)n2C ZINC000347757664 456353442 /nfs/dbraw/zinc/35/34/42/456353442.db2.gz RQUXNBRTBZNHSI-UHFFFAOYSA-N 2 2 337.452 3.419 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048557 456400115 /nfs/dbraw/zinc/40/01/15/456400115.db2.gz LXWNAMCKJFBBGO-VQIMIIECSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048557 456400120 /nfs/dbraw/zinc/40/01/20/456400120.db2.gz LXWNAMCKJFBBGO-VQIMIIECSA-N 2 2 343.446 3.272 10 0 EGAELP c1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)oc1C1CC1 ZINC000282201398 456440986 /nfs/dbraw/zinc/44/09/86/456440986.db2.gz XFKPJDHJGBCLCM-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP c1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)oc1C1CC1 ZINC000282201398 456440995 /nfs/dbraw/zinc/44/09/95/456440995.db2.gz XFKPJDHJGBCLCM-OAHLLOKOSA-N 2 2 326.444 3.464 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777251 462263441 /nfs/dbraw/zinc/26/34/41/462263441.db2.gz OCUPSPKPSAEXKW-WBVHZDCISA-N 2 2 338.442 3.037 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777251 462263445 /nfs/dbraw/zinc/26/34/45/462263445.db2.gz OCUPSPKPSAEXKW-WBVHZDCISA-N 2 2 338.442 3.037 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000340586339 456548508 /nfs/dbraw/zinc/54/85/08/456548508.db2.gz SDBNLJHFYXZYIZ-HUUCEWRRSA-N 2 2 327.819 3.469 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(Cl)cc1 ZINC000340586339 456548510 /nfs/dbraw/zinc/54/85/10/456548510.db2.gz SDBNLJHFYXZYIZ-HUUCEWRRSA-N 2 2 327.819 3.469 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000348352682 456643532 /nfs/dbraw/zinc/64/35/32/456643532.db2.gz KRXMMWIKKLTWSR-XLIONFOSSA-N 2 2 337.467 3.102 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107534 456645241 /nfs/dbraw/zinc/64/52/41/456645241.db2.gz NSVQTMVDCMDWPR-GOEBONIOSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107534 456645246 /nfs/dbraw/zinc/64/52/46/456645246.db2.gz NSVQTMVDCMDWPR-GOEBONIOSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(c3nnc4ccccn43)CC2)c[nH+]1 ZINC000353386333 456665157 /nfs/dbraw/zinc/66/51/57/456665157.db2.gz XIWYEOIKEGKEHS-UHFFFAOYSA-N 2 2 335.455 3.245 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000353425102 456691444 /nfs/dbraw/zinc/69/14/44/456691444.db2.gz IOAYQKQXLXRWLN-UXHICEINSA-N 2 2 341.503 3.120 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000353522526 456733447 /nfs/dbraw/zinc/73/34/47/456733447.db2.gz RVOWEVHWJVDZCD-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000353522526 456733455 /nfs/dbraw/zinc/73/34/55/456733455.db2.gz RVOWEVHWJVDZCD-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000353522526 456733461 /nfs/dbraw/zinc/73/34/61/456733461.db2.gz RVOWEVHWJVDZCD-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000353522526 456733467 /nfs/dbraw/zinc/73/34/67/456733467.db2.gz RVOWEVHWJVDZCD-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000341077891 456813861 /nfs/dbraw/zinc/81/38/61/456813861.db2.gz ZCBFAAYRAOXMRZ-QGZVFWFLSA-N 2 2 347.466 3.201 10 0 EGAELP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000341077891 456813868 /nfs/dbraw/zinc/81/38/68/456813868.db2.gz ZCBFAAYRAOXMRZ-QGZVFWFLSA-N 2 2 347.466 3.201 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000341274620 456829869 /nfs/dbraw/zinc/82/98/69/456829869.db2.gz RCZSWFNTAJKZJN-PBHICJAKSA-N 2 2 347.409 3.436 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000341274620 456829875 /nfs/dbraw/zinc/82/98/75/456829875.db2.gz RCZSWFNTAJKZJN-PBHICJAKSA-N 2 2 347.409 3.436 10 0 EGAELP Cc1occc1C(=O)NC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353662416 456840992 /nfs/dbraw/zinc/84/09/92/456840992.db2.gz YXZPVZZQGNRRLS-UHFFFAOYSA-N 2 2 341.455 3.118 10 0 EGAELP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccnn2C)c1 ZINC000338948114 456868515 /nfs/dbraw/zinc/86/85/15/456868515.db2.gz LGGPJOMITCGSOL-UHFFFAOYSA-N 2 2 335.455 3.498 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349407045 456963622 /nfs/dbraw/zinc/96/36/22/456963622.db2.gz MOUSPLMCRXJXCU-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349407045 456963623 /nfs/dbraw/zinc/96/36/23/456963623.db2.gz MOUSPLMCRXJXCU-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349407045 456963625 /nfs/dbraw/zinc/96/36/25/456963625.db2.gz MOUSPLMCRXJXCU-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP Cc1cc(Cl)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349407045 456963626 /nfs/dbraw/zinc/96/36/26/456963626.db2.gz MOUSPLMCRXJXCU-YOFSQIOKSA-N 2 2 347.934 3.391 10 0 EGAELP c1nn2ccccc2c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000353916076 456963990 /nfs/dbraw/zinc/96/39/90/456963990.db2.gz HXMMJOIGGXVVCW-UHFFFAOYSA-N 2 2 334.467 3.131 10 0 EGAELP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1Cl ZINC000339173268 456976431 /nfs/dbraw/zinc/97/64/31/456976431.db2.gz YMKUNGDCJIUPNP-UHFFFAOYSA-N 2 2 346.858 3.168 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980484 456987937 /nfs/dbraw/zinc/98/79/37/456987937.db2.gz AYRJJAIRYAJDRB-UKRRQHHQSA-N 2 2 327.394 3.224 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980484 456987938 /nfs/dbraw/zinc/98/79/38/456987938.db2.gz AYRJJAIRYAJDRB-UKRRQHHQSA-N 2 2 327.394 3.224 10 0 EGAELP Cc1cn2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH+]1 ZINC000339273236 457033144 /nfs/dbraw/zinc/03/31/44/457033144.db2.gz HUYNLTPWWBAWPB-UHFFFAOYSA-N 2 2 331.379 3.140 10 0 EGAELP CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[nH]1 ZINC000362996945 457189550 /nfs/dbraw/zinc/18/95/50/457189550.db2.gz NEDJGDDVJTYGBD-RYUDHWBXSA-N 2 2 330.461 3.416 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c[nH+]1 ZINC000354429474 457217658 /nfs/dbraw/zinc/21/76/58/457217658.db2.gz XBZOKWSOXOTPSS-MRXNPFEDSA-N 2 2 330.863 3.240 10 0 EGAELP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607700 457398751 /nfs/dbraw/zinc/39/87/51/457398751.db2.gz RMOWLKQHRFFDMH-CQSZACIVSA-N 2 2 326.444 3.179 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896447 457418619 /nfs/dbraw/zinc/41/86/19/457418619.db2.gz GZIXLTGHRLTQFD-OALUTQOASA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896447 457418628 /nfs/dbraw/zinc/41/86/28/457418628.db2.gz GZIXLTGHRLTQFD-OALUTQOASA-N 2 2 337.552 3.268 10 0 EGAELP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374200012 457519119 /nfs/dbraw/zinc/51/91/19/457519119.db2.gz MZRSWFISYWXDIX-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209280 457523226 /nfs/dbraw/zinc/52/32/26/457523226.db2.gz PKQQEGFKAILKLK-CQSZACIVSA-N 2 2 342.443 3.015 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787730 457528972 /nfs/dbraw/zinc/52/89/72/457528972.db2.gz VMWDJNWXEKURIW-IBGZPJMESA-N 2 2 341.434 3.224 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037708 457532517 /nfs/dbraw/zinc/53/25/17/457532517.db2.gz NPCUKKLJAVNFCC-HKUYNNGSSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037708 457532524 /nfs/dbraw/zinc/53/25/24/457532524.db2.gz NPCUKKLJAVNFCC-HKUYNNGSSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)[C@@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361300500 457684683 /nfs/dbraw/zinc/68/46/83/457684683.db2.gz QUPGTSKFOQOIGZ-MRXNPFEDSA-N 2 2 329.444 3.010 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361300500 457684686 /nfs/dbraw/zinc/68/46/86/457684686.db2.gz QUPGTSKFOQOIGZ-MRXNPFEDSA-N 2 2 329.444 3.010 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000361328502 457695030 /nfs/dbraw/zinc/69/50/30/457695030.db2.gz MRLOGTRBWMTIGF-IQMFZBJNSA-N 2 2 335.517 3.214 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000361328502 457695033 /nfs/dbraw/zinc/69/50/33/457695033.db2.gz MRLOGTRBWMTIGF-IQMFZBJNSA-N 2 2 335.517 3.214 10 0 EGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846913 457704494 /nfs/dbraw/zinc/70/44/94/457704494.db2.gz KZFVPRAEXLDTBX-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846913 457704497 /nfs/dbraw/zinc/70/44/97/457704497.db2.gz KZFVPRAEXLDTBX-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP COC(=O)[C@@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000361395101 457716571 /nfs/dbraw/zinc/71/65/71/457716571.db2.gz LJSQKLGKILYYLT-SFHVURJKSA-N 2 2 329.444 3.056 10 0 EGAELP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000361457691 457738283 /nfs/dbraw/zinc/73/82/83/457738283.db2.gz UNUNZSDTQYUGDM-LJQANCHMSA-N 2 2 330.497 3.078 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000361531860 457774347 /nfs/dbraw/zinc/77/43/47/457774347.db2.gz URGGRJCRBCOING-CQSZACIVSA-N 2 2 338.411 3.115 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)cc2)c[nH+]1 ZINC000375399558 457915729 /nfs/dbraw/zinc/91/57/29/457915729.db2.gz CDLFXMDCRGBXGK-MRXNPFEDSA-N 2 2 335.411 3.122 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)cc2)c[nH+]1 ZINC000375399558 457915735 /nfs/dbraw/zinc/91/57/35/457915735.db2.gz CDLFXMDCRGBXGK-MRXNPFEDSA-N 2 2 335.411 3.122 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343354 457946843 /nfs/dbraw/zinc/94/68/43/457946843.db2.gz GYGMNAAYEFJSFR-GGPKGHCWSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343354 457946852 /nfs/dbraw/zinc/94/68/52/457946852.db2.gz GYGMNAAYEFJSFR-GGPKGHCWSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343354 457946859 /nfs/dbraw/zinc/94/68/59/457946859.db2.gz GYGMNAAYEFJSFR-GGPKGHCWSA-N 2 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000358343354 457946864 /nfs/dbraw/zinc/94/68/64/457946864.db2.gz GYGMNAAYEFJSFR-GGPKGHCWSA-N 2 2 326.488 3.314 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000375801484 458071886 /nfs/dbraw/zinc/07/18/86/458071886.db2.gz KUWHZOWAJGDVCN-LJQANCHMSA-N 2 2 339.487 3.112 10 0 EGAELP COC1(C[C@@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000429511452 458339551 /nfs/dbraw/zinc/33/95/51/458339551.db2.gz LDRVUGGCHKMPLC-MRXNPFEDSA-N 2 2 326.550 3.285 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531304 458340001 /nfs/dbraw/zinc/34/00/01/458340001.db2.gz VFYQSJAWYCNXMC-UYAOXDASSA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531304 458340006 /nfs/dbraw/zinc/34/00/06/458340006.db2.gz VFYQSJAWYCNXMC-UYAOXDASSA-N 2 2 345.531 3.228 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439470 458371359 /nfs/dbraw/zinc/37/13/59/458371359.db2.gz TZTXAXCOOOEXNW-KXBFYZLASA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439470 458371361 /nfs/dbraw/zinc/37/13/61/458371361.db2.gz TZTXAXCOOOEXNW-KXBFYZLASA-N 3 2 333.545 3.347 10 0 EGAELP Cc1c[nH+]cn1C1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000376743869 458381379 /nfs/dbraw/zinc/38/13/79/458381379.db2.gz YZTLZSLAUZAQAD-UHFFFAOYSA-N 2 2 334.427 3.193 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000459507613 458394783 /nfs/dbraw/zinc/39/47/83/458394783.db2.gz WIBWHTMSOMBQCR-OAQYLSRUSA-N 2 2 336.483 3.498 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000459507613 458394786 /nfs/dbraw/zinc/39/47/86/458394786.db2.gz WIBWHTMSOMBQCR-OAQYLSRUSA-N 2 2 336.483 3.498 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273253 458522715 /nfs/dbraw/zinc/52/27/15/458522715.db2.gz VNKNMABJPJXLLU-BBRMVZONSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273253 458522718 /nfs/dbraw/zinc/52/27/18/458522718.db2.gz VNKNMABJPJXLLU-BBRMVZONSA-N 2 2 340.920 3.313 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546243 458525461 /nfs/dbraw/zinc/52/54/61/458525461.db2.gz BMFLIKUJNRBYDJ-QXAKKESOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546243 458525466 /nfs/dbraw/zinc/52/54/66/458525466.db2.gz BMFLIKUJNRBYDJ-QXAKKESOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546243 458525470 /nfs/dbraw/zinc/52/54/70/458525470.db2.gz BMFLIKUJNRBYDJ-QXAKKESOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546243 458525475 /nfs/dbraw/zinc/52/54/75/458525475.db2.gz BMFLIKUJNRBYDJ-QXAKKESOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000468546241 458525806 /nfs/dbraw/zinc/52/58/06/458525806.db2.gz BMFLIKUJNRBYDJ-BHIYHBOVSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000468546241 458525807 /nfs/dbraw/zinc/52/58/07/458525807.db2.gz BMFLIKUJNRBYDJ-BHIYHBOVSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000468546241 458525812 /nfs/dbraw/zinc/52/58/12/458525812.db2.gz BMFLIKUJNRBYDJ-BHIYHBOVSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000468546241 458525813 /nfs/dbraw/zinc/52/58/13/458525813.db2.gz BMFLIKUJNRBYDJ-BHIYHBOVSA-N 2 2 330.472 3.067 10 0 EGAELP CCC(CC)(C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083500 458549741 /nfs/dbraw/zinc/54/97/41/458549741.db2.gz DTVSCVNTONWHFU-WBVHZDCISA-N 2 2 334.504 3.301 10 0 EGAELP CCC(CC)(C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083500 458549745 /nfs/dbraw/zinc/54/97/45/458549745.db2.gz DTVSCVNTONWHFU-WBVHZDCISA-N 2 2 334.504 3.301 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761460 458558851 /nfs/dbraw/zinc/55/88/51/458558851.db2.gz FNCYJGUBMFPUAY-KBXCAEBGSA-N 2 2 330.472 3.214 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761460 458558854 /nfs/dbraw/zinc/55/88/54/458558854.db2.gz FNCYJGUBMFPUAY-KBXCAEBGSA-N 2 2 330.472 3.214 10 0 EGAELP CCCC(C)(C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469490386 458576213 /nfs/dbraw/zinc/57/62/13/458576213.db2.gz ROQFGPRFSGLZSP-UHFFFAOYSA-N 2 2 337.552 3.269 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424281105 458602919 /nfs/dbraw/zinc/60/29/19/458602919.db2.gz MUHIIFGBDZWMHS-RTJUMIHMSA-N 2 2 328.500 3.300 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424281105 458602924 /nfs/dbraw/zinc/60/29/24/458602924.db2.gz MUHIIFGBDZWMHS-RTJUMIHMSA-N 2 2 328.500 3.300 10 0 EGAELP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530212450 458718644 /nfs/dbraw/zinc/71/86/44/458718644.db2.gz SDAIPYFCBYEBES-UHFFFAOYSA-N 2 2 333.220 3.159 10 0 EGAELP CC(C)C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258881 458871900 /nfs/dbraw/zinc/87/19/00/458871900.db2.gz MGSCXSBKMHFCNS-TZIWHRDSSA-N 2 2 330.516 3.470 10 0 EGAELP CC(C)C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474258881 458871904 /nfs/dbraw/zinc/87/19/04/458871904.db2.gz MGSCXSBKMHFCNS-TZIWHRDSSA-N 2 2 330.516 3.470 10 0 EGAELP CC[C@@H]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476118061 458979915 /nfs/dbraw/zinc/97/99/15/458979915.db2.gz AMVIJFCRXQCAEZ-MOPGFXCFSA-N 2 2 349.563 3.269 10 0 EGAELP COc1ccc(C2(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000531967770 459009865 /nfs/dbraw/zinc/00/98/65/459009865.db2.gz KZKJDAUADWOOBP-AEFFLSMTSA-N 2 2 346.515 3.445 10 0 EGAELP COc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000531967770 459009870 /nfs/dbraw/zinc/00/98/70/459009870.db2.gz KZKJDAUADWOOBP-AEFFLSMTSA-N 2 2 346.515 3.445 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920975 459032483 /nfs/dbraw/zinc/03/24/83/459032483.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920975 459032488 /nfs/dbraw/zinc/03/24/88/459032488.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000556920975 459032494 /nfs/dbraw/zinc/03/24/94/459032494.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000556920975 459032504 /nfs/dbraw/zinc/03/25/04/459032504.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000577607366 459060412 /nfs/dbraw/zinc/06/04/12/459060412.db2.gz MDQYVNHSVLNCEU-ZDUSSCGKSA-N 2 2 344.484 3.137 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000557365653 459067129 /nfs/dbraw/zinc/06/71/29/459067129.db2.gz AEIPQQWRZHYDFX-LLUDDFSJSA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000557365653 459067135 /nfs/dbraw/zinc/06/71/35/459067135.db2.gz AEIPQQWRZHYDFX-LLUDDFSJSA-N 2 2 346.515 3.134 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448112 459090061 /nfs/dbraw/zinc/09/00/61/459090061.db2.gz MQQOAPMAQIYDAF-UWJYYQICSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448112 459090075 /nfs/dbraw/zinc/09/00/75/459090075.db2.gz MQQOAPMAQIYDAF-UWJYYQICSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448112 459090078 /nfs/dbraw/zinc/09/00/78/459090078.db2.gz MQQOAPMAQIYDAF-UWJYYQICSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000532448112 459090081 /nfs/dbraw/zinc/09/00/81/459090081.db2.gz MQQOAPMAQIYDAF-UWJYYQICSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812912 459097764 /nfs/dbraw/zinc/09/77/64/459097764.db2.gz AWNRUORZZJAXQN-AEFFLSMTSA-N 2 2 343.515 3.297 10 0 EGAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000594600178 459104504 /nfs/dbraw/zinc/10/45/04/459104504.db2.gz KVOZSOOEHDWVTG-UHFFFAOYSA-N 2 2 342.439 3.129 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000595018752 459218424 /nfs/dbraw/zinc/21/84/24/459218424.db2.gz FYWSAUHXIWLMRQ-OAHLLOKOSA-N 2 2 345.487 3.463 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(CO)o2)c(C)c1 ZINC000533528473 459249032 /nfs/dbraw/zinc/24/90/32/459249032.db2.gz KDYYRHWVWHSIQZ-LJQANCHMSA-N 2 2 325.412 3.116 10 0 EGAELP c1nc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc2[nH]1 ZINC000523107086 459279867 /nfs/dbraw/zinc/27/98/67/459279867.db2.gz GYAMGHQUELIVON-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP c1nc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2[nH]1 ZINC000523107086 459279877 /nfs/dbraw/zinc/27/98/77/459279877.db2.gz GYAMGHQUELIVON-UHFFFAOYSA-N 2 2 334.467 3.360 10 0 EGAELP CN(CCC(=O)Nc1c[nH+]ccc1OC(C)(C)C)c1cc[nH+]cc1 ZINC000540927066 459406044 /nfs/dbraw/zinc/40/60/44/459406044.db2.gz YXDZWARQEFIYHC-UHFFFAOYSA-N 2 2 328.416 3.119 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000484288538 459411035 /nfs/dbraw/zinc/41/10/35/459411035.db2.gz AVSZNOLGHQFXAE-FPOVZHCZSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000484288538 459411043 /nfs/dbraw/zinc/41/10/43/459411043.db2.gz AVSZNOLGHQFXAE-FPOVZHCZSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000484288538 459411048 /nfs/dbraw/zinc/41/10/48/459411048.db2.gz AVSZNOLGHQFXAE-FPOVZHCZSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000484288538 459411051 /nfs/dbraw/zinc/41/10/51/459411051.db2.gz AVSZNOLGHQFXAE-FPOVZHCZSA-N 2 2 344.499 3.111 10 0 EGAELP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000498654467 459600121 /nfs/dbraw/zinc/60/01/21/459600121.db2.gz FDJZCPMCIYKJQT-SFHVURJKSA-N 2 2 325.456 3.439 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000498654467 459600126 /nfs/dbraw/zinc/60/01/26/459600126.db2.gz FDJZCPMCIYKJQT-SFHVURJKSA-N 2 2 325.456 3.439 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000584050011 459641798 /nfs/dbraw/zinc/64/17/98/459641798.db2.gz FDTYPYYUODTBIU-MOPGFXCFSA-N 2 2 331.410 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698724 459705333 /nfs/dbraw/zinc/70/53/33/459705333.db2.gz CKTJHAQCGCFHRV-DBOLQNLKSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698724 459705335 /nfs/dbraw/zinc/70/53/35/459705335.db2.gz CKTJHAQCGCFHRV-DBOLQNLKSA-N 2 2 328.500 3.302 10 0 EGAELP COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000596650834 459714387 /nfs/dbraw/zinc/71/43/87/459714387.db2.gz RORBDKRJALKZBK-KBRIMQKVSA-N 2 2 344.480 3.331 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000573724164 459724694 /nfs/dbraw/zinc/72/46/94/459724694.db2.gz UJCRDGFLQFAELW-FQEVSTJZSA-N 2 2 340.471 3.436 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000573724164 459724698 /nfs/dbraw/zinc/72/46/98/459724698.db2.gz UJCRDGFLQFAELW-FQEVSTJZSA-N 2 2 340.471 3.436 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409321 459730337 /nfs/dbraw/zinc/73/03/37/459730337.db2.gz BRSHGXKKXBRVBF-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409321 459730342 /nfs/dbraw/zinc/73/03/42/459730342.db2.gz BRSHGXKKXBRVBF-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409321 459730350 /nfs/dbraw/zinc/73/03/50/459730350.db2.gz BRSHGXKKXBRVBF-VQTJNVASSA-N 3 2 327.516 3.115 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811534 459746673 /nfs/dbraw/zinc/74/66/73/459746673.db2.gz KCMKIMGNRIWTAT-MJGOQNOKSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811534 459746681 /nfs/dbraw/zinc/74/66/81/459746681.db2.gz KCMKIMGNRIWTAT-MJGOQNOKSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946701 459778376 /nfs/dbraw/zinc/77/83/76/459778376.db2.gz ILPNRBGDYDTNFD-OXQOHEQNSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000527946701 459778378 /nfs/dbraw/zinc/77/83/78/459778378.db2.gz ILPNRBGDYDTNFD-OXQOHEQNSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000527951932 459781473 /nfs/dbraw/zinc/78/14/73/459781473.db2.gz RUXPURKSWSFCQK-TUVUNVSASA-N 2 2 334.529 3.482 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000527951932 459781477 /nfs/dbraw/zinc/78/14/77/459781477.db2.gz RUXPURKSWSFCQK-TUVUNVSASA-N 2 2 334.529 3.482 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007066 459794744 /nfs/dbraw/zinc/79/47/44/459794744.db2.gz BEOIICFLJWYLNE-LAUBAEHRSA-N 2 2 343.515 3.191 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007066 459794747 /nfs/dbraw/zinc/79/47/47/459794747.db2.gz BEOIICFLJWYLNE-LAUBAEHRSA-N 2 2 343.515 3.191 10 0 EGAELP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cn1 ZINC000622573811 460280624 /nfs/dbraw/zinc/28/06/24/460280624.db2.gz XOSAMLLZJCOARL-UHFFFAOYSA-N 2 2 346.862 3.111 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCC[C@H]21 ZINC000599654135 460299798 /nfs/dbraw/zinc/29/97/98/460299798.db2.gz LWEWAAZNJDPIIB-IPMKNSEASA-N 2 2 339.439 3.036 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342478 460499171 /nfs/dbraw/zinc/49/91/71/460499171.db2.gz BPFWKMMZCZFMSJ-WMLDXEAASA-N 2 2 332.488 3.371 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342478 460499180 /nfs/dbraw/zinc/49/91/80/460499180.db2.gz BPFWKMMZCZFMSJ-WMLDXEAASA-N 2 2 332.488 3.371 10 0 EGAELP C[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628773039 460538850 /nfs/dbraw/zinc/53/88/50/460538850.db2.gz JNYLRZZYZMURBH-UMPJEAMMSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628773039 460538857 /nfs/dbraw/zinc/53/88/57/460538857.db2.gz JNYLRZZYZMURBH-UMPJEAMMSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCCCO1 ZINC000623898088 460766970 /nfs/dbraw/zinc/76/69/70/460766970.db2.gz ZDKSAFREETXKPQ-NLWGTHIKSA-N 2 2 346.515 3.434 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000629528156 460796098 /nfs/dbraw/zinc/79/60/98/460796098.db2.gz QURYYWBPDAPYTF-BFHYXJOUSA-N 2 2 327.241 3.306 10 0 EGAELP COC(=O)C1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000617304713 460802634 /nfs/dbraw/zinc/80/26/34/460802634.db2.gz UUQFZPIMTVVOET-ABHNRTSZSA-N 2 2 341.455 3.025 10 0 EGAELP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629558765 460807674 /nfs/dbraw/zinc/80/76/74/460807674.db2.gz NFESRTOIIYLMLE-WFASDCNBSA-N 2 2 339.277 3.204 10 0 EGAELP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629558765 460807679 /nfs/dbraw/zinc/80/76/79/460807679.db2.gz NFESRTOIIYLMLE-WFASDCNBSA-N 2 2 339.277 3.204 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000624256188 460933213 /nfs/dbraw/zinc/93/32/13/460933213.db2.gz FPVAQQACWYJUFK-KRWDZBQOSA-N 2 2 332.488 3.333 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000608069580 460976406 /nfs/dbraw/zinc/97/64/06/460976406.db2.gz COFVGYPRFYOULJ-GOSISDBHSA-N 2 2 331.423 3.370 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000608070754 460976858 /nfs/dbraw/zinc/97/68/58/460976858.db2.gz HPHPPLZECIEHMC-GOSISDBHSA-N 2 2 349.434 3.265 10 0 EGAELP c1cc(C[NH2+]CCCNc2cccc[nH+]2)n(CCc2ccccc2)n1 ZINC000621340064 460997450 /nfs/dbraw/zinc/99/74/50/460997450.db2.gz VKULKZKPENAKHA-UHFFFAOYSA-N 2 2 335.455 3.113 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022457 460998770 /nfs/dbraw/zinc/99/87/70/460998770.db2.gz HEOYOFBXDZSWFB-WMZOPIPTSA-N 2 2 344.434 3.019 10 0 EGAELP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022457 460998775 /nfs/dbraw/zinc/99/87/75/460998775.db2.gz HEOYOFBXDZSWFB-WMZOPIPTSA-N 2 2 344.434 3.019 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668161975 461148263 /nfs/dbraw/zinc/14/82/63/461148263.db2.gz KXQOYJSOIQXNAR-PKOBYXMFSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668161975 461148269 /nfs/dbraw/zinc/14/82/69/461148269.db2.gz KXQOYJSOIQXNAR-PKOBYXMFSA-N 2 2 349.438 3.210 10 0 EGAELP CCC[N@H+](Cc1ncc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000662266099 461153022 /nfs/dbraw/zinc/15/30/22/461153022.db2.gz XKSADMJJXNDKJK-UHFFFAOYSA-N 2 2 346.700 3.462 10 0 EGAELP CCC[N@@H+](Cc1ncc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000662266099 461153027 /nfs/dbraw/zinc/15/30/27/461153027.db2.gz XKSADMJJXNDKJK-UHFFFAOYSA-N 2 2 346.700 3.462 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(Br)cc3Cl)C[C@@H]21 ZINC000662267213 461153504 /nfs/dbraw/zinc/15/35/04/461153504.db2.gz SWFDCMXSKISFSO-SUZMYJTESA-N 2 2 344.684 3.057 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(Br)cc3Cl)C[C@@H]21 ZINC000662267213 461153512 /nfs/dbraw/zinc/15/35/12/461153512.db2.gz SWFDCMXSKISFSO-SUZMYJTESA-N 2 2 344.684 3.057 10 0 EGAELP C[N@@H+](Cc1cc2n(n1)CCCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545823 461164210 /nfs/dbraw/zinc/16/42/10/461164210.db2.gz UWVWBNKFDUOJCE-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP C[N@H+](Cc1cc2n(n1)CCCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545823 461164219 /nfs/dbraw/zinc/16/42/19/461164219.db2.gz UWVWBNKFDUOJCE-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP C[NH+](Cc1cc2n(n1)CCCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545823 461164225 /nfs/dbraw/zinc/16/42/25/461164225.db2.gz UWVWBNKFDUOJCE-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP C[NH+](Cc1cc2n(n1)CCCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545823 461164231 /nfs/dbraw/zinc/16/42/31/461164231.db2.gz UWVWBNKFDUOJCE-LJQANCHMSA-N 2 2 338.499 3.173 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319326 461190096 /nfs/dbraw/zinc/19/00/96/461190096.db2.gz HKMIBNNHPTVDMJ-CRAIPNDOSA-N 2 2 326.431 3.459 10 0 EGAELP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319326 461190103 /nfs/dbraw/zinc/19/01/03/461190103.db2.gz HKMIBNNHPTVDMJ-CRAIPNDOSA-N 2 2 326.431 3.459 10 0 EGAELP CC(C)COc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321436 461192606 /nfs/dbraw/zinc/19/26/06/461192606.db2.gz IGLJLUPLNUEPIH-LJQANCHMSA-N 2 2 334.504 3.264 10 0 EGAELP CC(C)COc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321436 461192610 /nfs/dbraw/zinc/19/26/10/461192610.db2.gz IGLJLUPLNUEPIH-LJQANCHMSA-N 2 2 334.504 3.264 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCCC2)O1 ZINC000668298822 461234417 /nfs/dbraw/zinc/23/44/17/461234417.db2.gz LISSFVFFRDNPQP-MRXNPFEDSA-N 2 2 326.444 3.191 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCCC2)O1 ZINC000668298822 461234426 /nfs/dbraw/zinc/23/44/26/461234426.db2.gz LISSFVFFRDNPQP-MRXNPFEDSA-N 2 2 326.444 3.191 10 0 EGAELP [NH3+]C1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC2(CCC2)C1 ZINC000659317957 461291429 /nfs/dbraw/zinc/29/14/29/461291429.db2.gz VOJHWJXRZZIKIB-UHFFFAOYSA-N 2 2 348.450 3.202 10 0 EGAELP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655769035 461432900 /nfs/dbraw/zinc/43/29/00/461432900.db2.gz BQIFSQMEMFPQCC-IBGZPJMESA-N 2 2 332.463 3.436 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906693 461444294 /nfs/dbraw/zinc/44/42/94/461444294.db2.gz AMVMVWPGEXMOAY-SJKOYZFVSA-N 2 2 346.381 3.135 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906693 461444300 /nfs/dbraw/zinc/44/43/00/461444300.db2.gz AMVMVWPGEXMOAY-SJKOYZFVSA-N 2 2 346.381 3.135 10 0 EGAELP FC1(F)C[C@]12CC[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908654 461446429 /nfs/dbraw/zinc/44/64/29/461446429.db2.gz UDGDCUGBIIGCEQ-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000649908654 461446432 /nfs/dbraw/zinc/44/64/32/461446432.db2.gz UDGDCUGBIIGCEQ-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908654 461446438 /nfs/dbraw/zinc/44/64/38/461446438.db2.gz UDGDCUGBIIGCEQ-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@]12CC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000649908654 461446443 /nfs/dbraw/zinc/44/64/43/461446443.db2.gz UDGDCUGBIIGCEQ-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)onc1C1CC1 ZINC000638521576 461466012 /nfs/dbraw/zinc/46/60/12/461466012.db2.gz LKDWUYHXWCZFON-KRWDZBQOSA-N 2 2 325.456 3.206 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)onc1C1CC1 ZINC000638521576 461466020 /nfs/dbraw/zinc/46/60/20/461466020.db2.gz LKDWUYHXWCZFON-KRWDZBQOSA-N 2 2 325.456 3.206 10 0 EGAELP COc1cncc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000631029446 461483640 /nfs/dbraw/zinc/48/36/40/461483640.db2.gz BQAGZZKMYHHBIZ-IBGZPJMESA-N 2 2 325.456 3.325 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660127407 461599838 /nfs/dbraw/zinc/59/98/38/461599838.db2.gz MWYYKXRXKOLMRW-WMLDXEAASA-N 2 2 335.398 3.233 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660127407 461599846 /nfs/dbraw/zinc/59/98/46/461599846.db2.gz MWYYKXRXKOLMRW-WMLDXEAASA-N 2 2 335.398 3.233 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647289454 461614326 /nfs/dbraw/zinc/61/43/26/461614326.db2.gz VRTYWKBNMQBFND-AWEZNQCLSA-N 2 2 330.451 3.271 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000656139852 461618520 /nfs/dbraw/zinc/61/85/20/461618520.db2.gz IYPWFEKMRGDBNR-WMLDXEAASA-N 2 2 326.444 3.259 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000656139852 461618533 /nfs/dbraw/zinc/61/85/33/461618533.db2.gz IYPWFEKMRGDBNR-WMLDXEAASA-N 2 2 326.444 3.259 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000656141598 461620337 /nfs/dbraw/zinc/62/03/37/461620337.db2.gz XCMVBXORFHKJEO-PBHICJAKSA-N 2 2 326.444 3.116 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000656141598 461620345 /nfs/dbraw/zinc/62/03/45/461620345.db2.gz XCMVBXORFHKJEO-PBHICJAKSA-N 2 2 326.444 3.116 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195312 461635134 /nfs/dbraw/zinc/63/51/34/461635134.db2.gz FANJGTORMWWECJ-LPHOPBHVSA-N 2 2 339.483 3.256 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195312 461635145 /nfs/dbraw/zinc/63/51/45/461635145.db2.gz FANJGTORMWWECJ-LPHOPBHVSA-N 2 2 339.483 3.256 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480991 461730946 /nfs/dbraw/zinc/73/09/46/461730946.db2.gz MWSCPXVFWAXGTE-ZFWWWQNUSA-N 2 2 340.414 3.261 10 0 EGAELP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000647480991 461730954 /nfs/dbraw/zinc/73/09/54/461730954.db2.gz MWSCPXVFWAXGTE-ZFWWWQNUSA-N 2 2 340.414 3.261 10 0 EGAELP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554305 461764772 /nfs/dbraw/zinc/76/47/72/461764772.db2.gz WHPIGUQGSMUDFR-AWEZNQCLSA-N 2 2 339.277 3.222 10 0 EGAELP COc1cc2cc[nH+]c(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000663704969 461765034 /nfs/dbraw/zinc/76/50/34/461765034.db2.gz RGNYGBCEYNGISC-TZMCWYRMSA-N 2 2 327.428 3.289 10 0 EGAELP COc1cc2cc[nH+]c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000663704969 461765041 /nfs/dbraw/zinc/76/50/41/461765041.db2.gz RGNYGBCEYNGISC-TZMCWYRMSA-N 2 2 327.428 3.289 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3[nH]nc4ccccc43)C2)n2c1CCCC2 ZINC000669714395 461776273 /nfs/dbraw/zinc/77/62/73/461776273.db2.gz FBBQVANQTHZPAD-OAHLLOKOSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3[nH]nc4ccccc43)C2)n2c1CCCC2 ZINC000669714395 461776277 /nfs/dbraw/zinc/77/62/77/461776277.db2.gz FBBQVANQTHZPAD-OAHLLOKOSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3n[nH]c4ccccc43)C2)n2c1CCCC2 ZINC000669714395 461776284 /nfs/dbraw/zinc/77/62/84/461776284.db2.gz FBBQVANQTHZPAD-OAHLLOKOSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3n[nH]c4ccccc43)C2)n2c1CCCC2 ZINC000669714395 461776289 /nfs/dbraw/zinc/77/62/89/461776289.db2.gz FBBQVANQTHZPAD-OAHLLOKOSA-N 2 2 335.455 3.475 10 0 EGAELP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000669714407 461776362 /nfs/dbraw/zinc/77/63/62/461776362.db2.gz JFOBVFGFZCPUNX-KRWDZBQOSA-N 2 2 339.487 3.060 10 0 EGAELP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000669714407 461776369 /nfs/dbraw/zinc/77/63/69/461776369.db2.gz JFOBVFGFZCPUNX-KRWDZBQOSA-N 2 2 339.487 3.060 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647793376 461838356 /nfs/dbraw/zinc/83/83/56/461838356.db2.gz VYSGHYIVBVCILY-XCJLJZCSSA-N 3 2 338.499 3.219 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902050 461876534 /nfs/dbraw/zinc/87/65/34/461876534.db2.gz ZGBSTPVTSFFAQY-ZOBUZTSGSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902050 461876541 /nfs/dbraw/zinc/87/65/41/461876541.db2.gz ZGBSTPVTSFFAQY-ZOBUZTSGSA-N 2 2 349.906 3.439 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901341 461876860 /nfs/dbraw/zinc/87/68/60/461876860.db2.gz MQOKBYFMYBYFQC-MPGHIAIKSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901341 461876864 /nfs/dbraw/zinc/87/68/64/461876864.db2.gz MQOKBYFMYBYFQC-MPGHIAIKSA-N 2 2 347.528 3.200 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901371 461876980 /nfs/dbraw/zinc/87/69/80/461876980.db2.gz NGZRDXMNSFQSHZ-AABGKKOBSA-N 2 2 343.515 3.060 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901371 461876987 /nfs/dbraw/zinc/87/69/87/461876987.db2.gz NGZRDXMNSFQSHZ-AABGKKOBSA-N 2 2 343.515 3.060 10 0 EGAELP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903603 461878709 /nfs/dbraw/zinc/87/87/09/461878709.db2.gz MQXUUABGFOAOHJ-XJKSGUPXSA-N 2 2 326.843 3.322 10 0 EGAELP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647903603 461878714 /nfs/dbraw/zinc/87/87/14/461878714.db2.gz MQXUUABGFOAOHJ-XJKSGUPXSA-N 2 2 326.843 3.322 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902744 461878871 /nfs/dbraw/zinc/87/88/71/461878871.db2.gz BPQXYLKPZVVRHK-WMZOPIPTSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902744 461878876 /nfs/dbraw/zinc/87/88/76/461878876.db2.gz BPQXYLKPZVVRHK-WMZOPIPTSA-N 2 2 341.455 3.314 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2scnc2C)cc1 ZINC000656790491 461901027 /nfs/dbraw/zinc/90/10/27/461901027.db2.gz VQQZYGSKDJYGCJ-IRXDYDNUSA-N 2 2 331.485 3.086 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)cc1 ZINC000656791145 461901513 /nfs/dbraw/zinc/90/15/13/461901513.db2.gz UMRKPLHPJLWIIN-IEBWSBKVSA-N 2 2 344.430 3.078 10 0 EGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650763598 461942144 /nfs/dbraw/zinc/94/21/44/461942144.db2.gz FDCUYWQMJMHZGW-WFASDCNBSA-N 2 2 328.378 3.051 10 0 EGAELP Fc1ccc(/C=C\C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000648045128 461956815 /nfs/dbraw/zinc/95/68/15/461956815.db2.gz ANACYJUMLVUTBS-GHMGLMHVSA-N 2 2 325.431 3.346 10 0 EGAELP Fc1ccc(/C=C\C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000648045128 461956818 /nfs/dbraw/zinc/95/68/18/461956818.db2.gz ANACYJUMLVUTBS-GHMGLMHVSA-N 2 2 325.431 3.346 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000664237344 461993699 /nfs/dbraw/zinc/99/36/99/461993699.db2.gz RXNKKUSZZHVDPO-INIZCTEOSA-N 2 2 331.847 3.222 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000664237344 461993705 /nfs/dbraw/zinc/99/37/05/461993705.db2.gz RXNKKUSZZHVDPO-INIZCTEOSA-N 2 2 331.847 3.222 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347976 462062183 /nfs/dbraw/zinc/06/21/83/462062183.db2.gz INOALSOEDIDRFV-HKUYNNGSSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347976 462062185 /nfs/dbraw/zinc/06/21/85/462062185.db2.gz INOALSOEDIDRFV-HKUYNNGSSA-N 2 2 347.466 3.192 10 0 EGAELP c1cc(CNC[C@H]2CCC[N@@H+]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362103 462071583 /nfs/dbraw/zinc/07/15/83/462071583.db2.gz OUHQCDYVEDWUNO-HXUWFJFHSA-N 2 2 347.466 3.022 10 0 EGAELP c1cc(CNC[C@H]2CCC[N@H+]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362103 462071589 /nfs/dbraw/zinc/07/15/89/462071589.db2.gz OUHQCDYVEDWUNO-HXUWFJFHSA-N 2 2 347.466 3.022 10 0 EGAELP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657395711 462095822 /nfs/dbraw/zinc/09/58/22/462095822.db2.gz JFXUHAITTNXEOA-UHFFFAOYSA-N 2 2 335.455 3.428 10 0 EGAELP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1ccccc1 ZINC000667520083 462123091 /nfs/dbraw/zinc/12/30/91/462123091.db2.gz PVIAJRJFGJJZAW-KRWDZBQOSA-N 2 2 336.439 3.477 10 0 EGAELP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1ccccc1 ZINC000667520083 462123097 /nfs/dbraw/zinc/12/30/97/462123097.db2.gz PVIAJRJFGJJZAW-KRWDZBQOSA-N 2 2 336.439 3.477 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526192 462166633 /nfs/dbraw/zinc/16/66/33/462166633.db2.gz CCRQPIZIKVJUAC-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526192 462166637 /nfs/dbraw/zinc/16/66/37/462166637.db2.gz CCRQPIZIKVJUAC-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP Cc1cc[nH+]cc1Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000664791165 462186845 /nfs/dbraw/zinc/18/68/45/462186845.db2.gz WBEDRYCMWWSGJC-UHFFFAOYSA-N 2 2 326.375 3.232 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC3 ZINC000658055395 462359709 /nfs/dbraw/zinc/35/97/09/462359709.db2.gz IFKBENGOWZNCRM-HUUCEWRRSA-N 2 2 341.499 3.496 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC3 ZINC000658055395 462359713 /nfs/dbraw/zinc/35/97/13/462359713.db2.gz IFKBENGOWZNCRM-HUUCEWRRSA-N 2 2 341.499 3.496 10 0 EGAELP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665251239 462369153 /nfs/dbraw/zinc/36/91/53/462369153.db2.gz KSQAVNWVVAUPPE-IPHXSNPTSA-N 2 2 337.467 3.441 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000665252730 462370625 /nfs/dbraw/zinc/37/06/25/462370625.db2.gz XQNXWFHLHVSRBD-ZLGUVYLKSA-N 2 2 347.466 3.064 10 0 EGAELP Fc1cc(Br)ccc1[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665279382 462381952 /nfs/dbraw/zinc/38/19/52/462381952.db2.gz BJUHAGFCPKMAOG-KRSWERPXSA-N 2 2 339.252 3.381 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1F ZINC000658226500 462435627 /nfs/dbraw/zinc/43/56/27/462435627.db2.gz CASVEKCOBYFAAG-RHSMWYFYSA-N 2 2 335.467 3.362 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203686 462470424 /nfs/dbraw/zinc/47/04/24/462470424.db2.gz UZABJTHNHVHFFQ-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203686 462470428 /nfs/dbraw/zinc/47/04/28/462470428.db2.gz UZABJTHNHVHFFQ-PMACEKPBSA-N 2 2 331.504 3.139 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345311 462484139 /nfs/dbraw/zinc/48/41/39/462484139.db2.gz XXWBKTPIXXPKAW-WMZOPIPTSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345311 462484142 /nfs/dbraw/zinc/48/41/42/462484142.db2.gz XXWBKTPIXXPKAW-WMZOPIPTSA-N 2 2 329.513 3.215 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000649414992 462503509 /nfs/dbraw/zinc/50/35/09/462503509.db2.gz CXCDMYWCKKHUJZ-WMLDXEAASA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000649414992 462503511 /nfs/dbraw/zinc/50/35/11/462503511.db2.gz CXCDMYWCKKHUJZ-WMLDXEAASA-N 2 2 329.419 3.445 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952812 535128082 /nfs/dbraw/zinc/12/80/82/535128082.db2.gz UQTPKRYRKKEHQX-YQQAZPJKSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952812 535128089 /nfs/dbraw/zinc/12/80/89/535128089.db2.gz UQTPKRYRKKEHQX-YQQAZPJKSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246952812 535128095 /nfs/dbraw/zinc/12/80/95/535128095.db2.gz UQTPKRYRKKEHQX-YQQAZPJKSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246952812 535128103 /nfs/dbraw/zinc/12/81/03/535128103.db2.gz UQTPKRYRKKEHQX-YQQAZPJKSA-N 2 2 332.492 3.422 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1Br ZINC000122341681 546732120 /nfs/dbraw/zinc/73/21/20/546732120.db2.gz BBHPJMFWAWPFFA-ZDUSSCGKSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1Br ZINC000122341681 546732124 /nfs/dbraw/zinc/73/21/24/546732124.db2.gz BBHPJMFWAWPFFA-ZDUSSCGKSA-N 2 2 338.224 3.449 10 0 EGAELP Cc1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C1CC1 ZINC000158921651 546932409 /nfs/dbraw/zinc/93/24/09/546932409.db2.gz XPSASMCERKKKGD-INIZCTEOSA-N 2 2 345.535 3.398 10 0 EGAELP Cc1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C1CC1 ZINC000158921651 546932415 /nfs/dbraw/zinc/93/24/15/546932415.db2.gz XPSASMCERKKKGD-INIZCTEOSA-N 2 2 345.535 3.398 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)CC1 ZINC000167161190 546990933 /nfs/dbraw/zinc/99/09/33/546990933.db2.gz SHLLRZWKTSVYEL-GOSISDBHSA-N 2 2 346.515 3.374 10 0 EGAELP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCCC3)oc21 ZINC000181559663 547069610 /nfs/dbraw/zinc/06/96/10/547069610.db2.gz RLYBKMRBOZKPLM-RDJZCZTQSA-N 2 2 346.471 3.329 10 0 EGAELP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCCC3)oc21 ZINC000181559683 547069815 /nfs/dbraw/zinc/06/98/15/547069815.db2.gz RLYBKMRBOZKPLM-NVXWUHKLSA-N 2 2 346.471 3.329 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000383697663 547821434 /nfs/dbraw/zinc/82/14/34/547821434.db2.gz RSJYZTDJYBVLNH-RRFJBIMHSA-N 2 2 343.862 3.035 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000383697663 547821436 /nfs/dbraw/zinc/82/14/36/547821436.db2.gz RSJYZTDJYBVLNH-RRFJBIMHSA-N 2 2 343.862 3.035 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000459507606 547943299 /nfs/dbraw/zinc/94/32/99/547943299.db2.gz WIBWHTMSOMBQCR-NRFANRHFSA-N 2 2 336.483 3.498 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000459507606 547943301 /nfs/dbraw/zinc/94/33/01/547943301.db2.gz WIBWHTMSOMBQCR-NRFANRHFSA-N 2 2 336.483 3.498 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675768465 548976936 /nfs/dbraw/zinc/97/69/36/548976936.db2.gz YEQCDYMTNNHOAI-QAPCUYQASA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768465 548976939 /nfs/dbraw/zinc/97/69/39/548976939.db2.gz YEQCDYMTNNHOAI-QAPCUYQASA-N 2 2 332.492 3.305 10 0 EGAELP Cc1cc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c(C)o1 ZINC000677688412 549311213 /nfs/dbraw/zinc/31/12/13/549311213.db2.gz LYEOURJLJDQZSE-UHFFFAOYSA-N 2 2 327.388 3.049 10 0 EGAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000682030655 550064139 /nfs/dbraw/zinc/06/41/39/550064139.db2.gz HJMRYXRJMJTVOY-OAQYLSRUSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000682030655 550064140 /nfs/dbraw/zinc/06/41/40/550064140.db2.gz HJMRYXRJMJTVOY-OAQYLSRUSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000682030655 550064142 /nfs/dbraw/zinc/06/41/42/550064142.db2.gz HJMRYXRJMJTVOY-OAQYLSRUSA-N 2 2 338.495 3.143 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000682030655 550064143 /nfs/dbraw/zinc/06/41/43/550064143.db2.gz HJMRYXRJMJTVOY-OAQYLSRUSA-N 2 2 338.495 3.143 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000683726594 550255349 /nfs/dbraw/zinc/25/53/49/550255349.db2.gz GOJAYJDRMKQGDP-UHFFFAOYSA-N 2 2 340.402 3.220 10 0 EGAELP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)[NH+]2CCCC2)cc1 ZINC000684368139 550320753 /nfs/dbraw/zinc/32/07/53/550320753.db2.gz DZGPCDPIGTWLOV-RLLQIKCJSA-N 2 2 332.488 3.379 10 0 EGAELP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684554250 550342116 /nfs/dbraw/zinc/34/21/16/550342116.db2.gz SRMUTLPKOZIQAG-HKUYNNGSSA-N 2 2 335.455 3.105 10 0 EGAELP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000732204848 575244685 /nfs/dbraw/zinc/24/46/85/575244685.db2.gz TVBZLCRIJSWTGS-MRXNPFEDSA-N 2 2 339.361 3.272 10 0 EGAELP O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000743366662 576807161 /nfs/dbraw/zinc/80/71/61/576807161.db2.gz ZLLOAZIIAJBWCP-QGZVFWFLSA-N 2 2 344.846 3.105 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000087789344 1292746653 /nfs/dbraw/zinc/74/66/53/1292746653.db2.gz RMNBVGMCYJNXFX-RYUDHWBXSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000087789344 1292746660 /nfs/dbraw/zinc/74/66/60/1292746660.db2.gz RMNBVGMCYJNXFX-RYUDHWBXSA-N 2 2 327.266 3.017 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2Br)C1 ZINC000127163056 1293554237 /nfs/dbraw/zinc/55/42/37/1293554237.db2.gz DZKUUGUXOBUAMY-CYBMUJFWSA-N 2 2 341.293 3.279 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2Br)C1 ZINC000127163056 1293554243 /nfs/dbraw/zinc/55/42/43/1293554243.db2.gz DZKUUGUXOBUAMY-CYBMUJFWSA-N 2 2 341.293 3.279 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000169788032 1294372857 /nfs/dbraw/zinc/37/28/57/1294372857.db2.gz IEMLHMAPPALTAV-INIZCTEOSA-N 2 2 349.425 3.496 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000169788032 1294372860 /nfs/dbraw/zinc/37/28/60/1294372860.db2.gz IEMLHMAPPALTAV-INIZCTEOSA-N 2 2 349.425 3.496 10 0 EGAELP C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783576 1296076704 /nfs/dbraw/zinc/07/67/04/1296076704.db2.gz AUDXTGUPQNVIIH-VQIMIIECSA-N 2 2 341.455 3.351 10 0 EGAELP C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783576 1296076714 /nfs/dbraw/zinc/07/67/14/1296076714.db2.gz AUDXTGUPQNVIIH-VQIMIIECSA-N 2 2 341.455 3.351 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000877056149 1299136390 /nfs/dbraw/zinc/13/63/90/1299136390.db2.gz ZQOAXYLLDMCCEA-SUMWQHHRSA-N 2 2 349.475 3.464 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000877056149 1299136394 /nfs/dbraw/zinc/13/63/94/1299136394.db2.gz ZQOAXYLLDMCCEA-SUMWQHHRSA-N 2 2 349.475 3.464 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345836 1299932129 /nfs/dbraw/zinc/93/21/29/1299932129.db2.gz YAZVMHZDJURCHC-LPHOPBHVSA-N 2 2 341.455 3.251 10 0 EGAELP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3Br)C[C@]2(C)C1 ZINC000933737276 1329918456 /nfs/dbraw/zinc/91/84/56/1329918456.db2.gz PLWAMKUQGGOSBX-WBVHZDCISA-N 2 2 337.305 3.265 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886004748 1303316398 /nfs/dbraw/zinc/31/63/98/1303316398.db2.gz ZWXPQFQSOLBWDO-FUHWJXTLSA-N 2 2 341.455 3.251 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017663 1306175955 /nfs/dbraw/zinc/17/59/55/1306175955.db2.gz RCBYHNJNDFZZRU-PKOBYXMFSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017663 1306175959 /nfs/dbraw/zinc/17/59/59/1306175959.db2.gz RCBYHNJNDFZZRU-PKOBYXMFSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017663 1306175964 /nfs/dbraw/zinc/17/59/64/1306175964.db2.gz RCBYHNJNDFZZRU-PKOBYXMFSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000894017663 1306175966 /nfs/dbraw/zinc/17/59/66/1306175966.db2.gz RCBYHNJNDFZZRU-PKOBYXMFSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894017661 1306176321 /nfs/dbraw/zinc/17/63/21/1306176321.db2.gz RCBYHNJNDFZZRU-IEBWSBKVSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894017661 1306176330 /nfs/dbraw/zinc/17/63/30/1306176330.db2.gz RCBYHNJNDFZZRU-IEBWSBKVSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000894017661 1306176333 /nfs/dbraw/zinc/17/63/33/1306176333.db2.gz RCBYHNJNDFZZRU-IEBWSBKVSA-N 2 2 338.499 3.457 10 0 EGAELP Cc1ccnc(N)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000894017661 1306176337 /nfs/dbraw/zinc/17/63/37/1306176337.db2.gz RCBYHNJNDFZZRU-IEBWSBKVSA-N 2 2 338.499 3.457 10 0 EGAELP COc1cc(C)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1OC ZINC000894086398 1306209154 /nfs/dbraw/zinc/20/91/54/1306209154.db2.gz FJVYUWXPHOCILR-QGZVFWFLSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1OC ZINC000894086398 1306209159 /nfs/dbraw/zinc/20/91/59/1306209159.db2.gz FJVYUWXPHOCILR-QGZVFWFLSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1OC ZINC000894086398 1306209165 /nfs/dbraw/zinc/20/91/65/1306209165.db2.gz FJVYUWXPHOCILR-QGZVFWFLSA-N 2 2 332.488 3.176 10 0 EGAELP COc1cc(C)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1OC ZINC000894086398 1306209171 /nfs/dbraw/zinc/20/91/71/1306209171.db2.gz FJVYUWXPHOCILR-QGZVFWFLSA-N 2 2 332.488 3.176 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2cc3c(cc[nH]c3=O)o2)c2cccc[nH+]2)CC1 ZINC000895116151 1309197731 /nfs/dbraw/zinc/19/77/31/1309197731.db2.gz SETNWJFQNAOICP-HDJSIYSDSA-N 2 2 338.411 3.205 10 0 EGAELP COCCCOc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895672303 1309459689 /nfs/dbraw/zinc/45/96/89/1309459689.db2.gz WIZQXFQKAKDDLV-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000896148827 1309720354 /nfs/dbraw/zinc/72/03/54/1309720354.db2.gz HLLIABXTKONZAM-GOSISDBHSA-N 2 2 346.519 3.041 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c[nH+]1 ZINC000897692051 1310436062 /nfs/dbraw/zinc/43/60/62/1310436062.db2.gz SMDRMVKZQTYQQC-FUHWJXTLSA-N 2 2 342.487 3.043 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685460 1328668687 /nfs/dbraw/zinc/66/86/87/1328668687.db2.gz BGIZEVIMBOLZSP-PMPSAXMXSA-N 2 2 334.426 3.437 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685460 1328668688 /nfs/dbraw/zinc/66/86/88/1328668688.db2.gz BGIZEVIMBOLZSP-PMPSAXMXSA-N 2 2 334.426 3.437 10 0 EGAELP CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000930022217 1328766462 /nfs/dbraw/zinc/76/64/62/1328766462.db2.gz UNDCFSIYUIRREO-IBGZPJMESA-N 2 2 341.455 3.154 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000922693386 1322592931 /nfs/dbraw/zinc/59/29/31/1322592931.db2.gz GUXKBQVVWGUVIB-HOTGVXAUSA-N 2 2 339.361 3.462 10 0 EGAELP CC[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743237 1322607966 /nfs/dbraw/zinc/60/79/66/1322607966.db2.gz OZDCRVRZNKWJGS-VQTJNVASSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743237 1322607970 /nfs/dbraw/zinc/60/79/70/1322607970.db2.gz OZDCRVRZNKWJGS-VQTJNVASSA-N 2 2 346.515 3.215 10 0 EGAELP COC1(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCCC1 ZINC000922747278 1322608602 /nfs/dbraw/zinc/60/86/02/1322608602.db2.gz XJMWCHATYOOVHF-UHFFFAOYSA-N 2 2 346.515 3.216 10 0 EGAELP COC1(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCCC1 ZINC000922747278 1322608610 /nfs/dbraw/zinc/60/86/10/1322608610.db2.gz XJMWCHATYOOVHF-UHFFFAOYSA-N 2 2 346.515 3.216 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C)n1 ZINC000924767525 1323152805 /nfs/dbraw/zinc/15/28/05/1323152805.db2.gz BFRMTPZXNVYJRO-FXAWDEMLSA-N 2 2 349.482 3.415 10 0 EGAELP CC(C)COc1cccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931285487 1329085616 /nfs/dbraw/zinc/08/56/16/1329085616.db2.gz MBEMUCXDILPIRF-UHFFFAOYSA-N 2 2 346.515 3.408 10 0 EGAELP CC(C)COc1cccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931285487 1329085622 /nfs/dbraw/zinc/08/56/22/1329085622.db2.gz MBEMUCXDILPIRF-UHFFFAOYSA-N 2 2 346.515 3.408 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1 ZINC000925157088 1325068827 /nfs/dbraw/zinc/06/88/27/1325068827.db2.gz NMGQGGAJCFIUFI-PMACEKPBSA-N 2 2 342.462 3.160 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)n2)cc1 ZINC000925157088 1325068832 /nfs/dbraw/zinc/06/88/32/1325068832.db2.gz NMGQGGAJCFIUFI-PMACEKPBSA-N 2 2 342.462 3.160 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925449518 1325153688 /nfs/dbraw/zinc/15/36/88/1325153688.db2.gz JVDFQBDWXHSSMU-ROUUACIJSA-N 2 2 331.460 3.014 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925449518 1325153691 /nfs/dbraw/zinc/15/36/91/1325153691.db2.gz JVDFQBDWXHSSMU-ROUUACIJSA-N 2 2 331.460 3.014 10 0 EGAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000925501523 1325179270 /nfs/dbraw/zinc/17/92/70/1325179270.db2.gz CUPAZUIHSSSGMQ-CABCVRRESA-N 2 2 329.271 3.291 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518208 1325187291 /nfs/dbraw/zinc/18/72/91/1325187291.db2.gz QEHFGABXSUFSOB-AEFFLSMTSA-N 3 2 344.547 3.217 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000925728902 1325272092 /nfs/dbraw/zinc/27/20/92/1325272092.db2.gz FNJZMBSKTFERBG-NQIIRXRSSA-N 2 2 343.515 3.446 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774940 1325296153 /nfs/dbraw/zinc/29/61/53/1325296153.db2.gz APADKILXBXMRIZ-BBRMVZONSA-N 3 2 334.414 3.076 10 0 EGAELP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774940 1325296161 /nfs/dbraw/zinc/29/61/61/1325296161.db2.gz APADKILXBXMRIZ-BBRMVZONSA-N 2 2 334.414 3.076 10 0 EGAELP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785725 1325301698 /nfs/dbraw/zinc/30/16/98/1325301698.db2.gz VGRUKJLCZFNEII-MKXGPGLRSA-N 3 2 349.469 3.016 10 0 EGAELP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925785725 1325301706 /nfs/dbraw/zinc/30/17/06/1325301706.db2.gz VGRUKJLCZFNEII-MKXGPGLRSA-N 3 2 349.469 3.016 10 0 EGAELP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC)cc1 ZINC000925793109 1325305116 /nfs/dbraw/zinc/30/51/16/1325305116.db2.gz HSIOTUCEAZDBLH-IEBWSBKVSA-N 2 2 332.488 3.285 10 0 EGAELP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000925796965 1325306573 /nfs/dbraw/zinc/30/65/73/1325306573.db2.gz NLAOUPGRTFFBMG-HKUYNNGSSA-N 2 2 344.499 3.265 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332389 1325518657 /nfs/dbraw/zinc/51/86/57/1325518657.db2.gz XMZAUDSNSJDQAC-SJJHQCBESA-N 2 2 348.453 3.442 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926402090 1325540778 /nfs/dbraw/zinc/54/07/78/1325540778.db2.gz RZBPJIYWSKGWFE-VQTJNVASSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926402090 1325540784 /nfs/dbraw/zinc/54/07/84/1325540784.db2.gz RZBPJIYWSKGWFE-VQTJNVASSA-N 2 2 332.488 3.208 10 0 EGAELP CC(C)CC[NH+]1CCC([NH2+]Cc2ccnc(-c3ccccn3)n2)CC1 ZINC000926854252 1327741224 /nfs/dbraw/zinc/74/12/24/1327741224.db2.gz NJRMLAFUGNFHEA-UHFFFAOYSA-N 2 2 339.487 3.139 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000926958904 1327798057 /nfs/dbraw/zinc/79/80/57/1327798057.db2.gz IGMXSQIIGCOFDL-XJKSGUPXSA-N 2 2 345.409 3.034 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)C[NH+](C)C ZINC000926962414 1327799981 /nfs/dbraw/zinc/79/99/81/1327799981.db2.gz LWJKLVGUUKEBAL-SWLSCSKDSA-N 2 2 329.282 3.066 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)(F)F ZINC000865416547 1329694277 /nfs/dbraw/zinc/69/42/77/1329694277.db2.gz BZSVZLISBFMTME-STQMWFEESA-N 2 2 332.341 3.441 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)(F)F ZINC000865416547 1329694279 /nfs/dbraw/zinc/69/42/79/1329694279.db2.gz BZSVZLISBFMTME-STQMWFEESA-N 2 2 332.341 3.441 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865492753 1329704888 /nfs/dbraw/zinc/70/48/88/1329704888.db2.gz VDYWDAFIRBSLKF-IRXDYDNUSA-N 2 2 338.499 3.464 10 0 EGAELP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1Br ZINC000865532443 1329710023 /nfs/dbraw/zinc/71/00/23/1329710023.db2.gz CLTBAUGCUVBQPA-AWEZNQCLSA-N 2 2 334.261 3.367 10 0 EGAELP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3Br)C[C@]2(C)C1 ZINC000933737276 1329918455 /nfs/dbraw/zinc/91/84/55/1329918455.db2.gz PLWAMKUQGGOSBX-WBVHZDCISA-N 2 2 337.305 3.265 10 0 EGAELP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Br)C[C@]2(C)C1 ZINC000933737276 1329918453 /nfs/dbraw/zinc/91/84/53/1329918453.db2.gz PLWAMKUQGGOSBX-WBVHZDCISA-N 2 2 337.305 3.265 10 0 EGAELP C[N@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Br)C[C@]2(C)C1 ZINC000933737276 1329918454 /nfs/dbraw/zinc/91/84/54/1329918454.db2.gz PLWAMKUQGGOSBX-WBVHZDCISA-N 2 2 337.305 3.265 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611775 1330132890 /nfs/dbraw/zinc/13/28/90/1330132890.db2.gz WUIDMKGTAVZXLD-PBHICJAKSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611775 1330132891 /nfs/dbraw/zinc/13/28/91/1330132891.db2.gz WUIDMKGTAVZXLD-PBHICJAKSA-N 2 2 349.450 3.194 10 0 EGAELP CC/C=C(\F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866958739 1330160874 /nfs/dbraw/zinc/16/08/74/1330160874.db2.gz WHNRMWMBGUPUMV-GANRSZTLSA-N 2 2 339.499 3.045 10 0 EGAELP CC/C=C(\F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866958739 1330160879 /nfs/dbraw/zinc/16/08/79/1330160879.db2.gz WHNRMWMBGUPUMV-GANRSZTLSA-N 2 2 339.499 3.045 10 0 EGAELP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001323734041 1387436010 /nfs/dbraw/zinc/43/60/10/1387436010.db2.gz SQLOIZMZAPQUEE-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001323734041 1387436012 /nfs/dbraw/zinc/43/60/12/1387436012.db2.gz SQLOIZMZAPQUEE-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001323992378 1387505788 /nfs/dbraw/zinc/50/57/88/1387505788.db2.gz BEIXXIGIYYBMJU-APWZRJJASA-N 2 2 340.471 3.128 10 0 EGAELP COc1ccc(Cl)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197378369 1368801252 /nfs/dbraw/zinc/80/12/52/1368801252.db2.gz XYIROUZXKYDXHC-AWEZNQCLSA-N 2 2 331.847 3.454 10 0 EGAELP COc1ccc(Cl)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197378369 1368801255 /nfs/dbraw/zinc/80/12/55/1368801255.db2.gz XYIROUZXKYDXHC-AWEZNQCLSA-N 2 2 331.847 3.454 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC001116761321 1370969213 /nfs/dbraw/zinc/96/92/13/1370969213.db2.gz WYGQPNQVLKSGIK-UHFFFAOYSA-N 2 2 342.443 3.498 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC001326525571 1388229901 /nfs/dbraw/zinc/22/99/01/1388229901.db2.gz PWVTYUPNZOBAGZ-GUDVDZBRSA-N 2 2 346.519 3.145 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001326773750 1388306146 /nfs/dbraw/zinc/30/61/46/1388306146.db2.gz IVOCPFQHQOTOEK-MOPGFXCFSA-N 2 2 340.471 3.005 10 0 EGAELP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)c1c[nH+]c[nH]1 ZINC001265687973 1377159518 /nfs/dbraw/zinc/15/95/18/1377159518.db2.gz KIAIIDZFUJLOIF-QGZVFWFLSA-N 2 2 346.519 3.238 10 0 EGAELP CCCC[NH+]1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001266185274 1377220277 /nfs/dbraw/zinc/22/02/77/1377220277.db2.gz DFJZUCBREZFFIL-SFHVURJKSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266468339 1377315067 /nfs/dbraw/zinc/31/50/67/1377315067.db2.gz OFFAIRLGMUSEAG-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266468339 1377315068 /nfs/dbraw/zinc/31/50/68/1377315068.db2.gz OFFAIRLGMUSEAG-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268276294 1377505515 /nfs/dbraw/zinc/50/55/15/1377505515.db2.gz DDPNTEMNYXWALV-LUNNPTDRSA-N 2 2 346.519 3.157 10 0 EGAELP CCC1([NH2+]CCCC(C)C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001327456269 1388524441 /nfs/dbraw/zinc/52/44/41/1388524441.db2.gz ZDKRKPZTPCBJHQ-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CCC1([NH2+]CCCC(C)C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001327456269 1388524443 /nfs/dbraw/zinc/52/44/43/1388524443.db2.gz ZDKRKPZTPCBJHQ-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001327456114 1388524589 /nfs/dbraw/zinc/52/45/89/1388524589.db2.gz VPILKOODDBPESM-UHFFFAOYSA-N 2 2 346.519 3.139 10 0 EGAELP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001327456114 1388524595 /nfs/dbraw/zinc/52/45/95/1388524595.db2.gz VPILKOODDBPESM-UHFFFAOYSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001282714206 1378572494 /nfs/dbraw/zinc/57/24/94/1378572494.db2.gz FVGPFFQHXWYSHN-INIZCTEOSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001283267276 1378777041 /nfs/dbraw/zinc/77/70/41/1378777041.db2.gz ASLYXBZQXSXEGG-HNNXBMFYSA-N 2 2 346.519 3.106 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058510 1379411377 /nfs/dbraw/zinc/41/13/77/1379411377.db2.gz QQYNKBDSHVBBEO-SRXMEYSWSA-N 2 2 344.503 3.133 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058510 1379411378 /nfs/dbraw/zinc/41/13/78/1379411378.db2.gz QQYNKBDSHVBBEO-SRXMEYSWSA-N 2 2 344.503 3.133 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C[NH2+]CCC(C)C)C3)ccn12 ZINC001284172114 1379562291 /nfs/dbraw/zinc/56/22/91/1379562291.db2.gz CTNACCQBOJZILM-FUHWJXTLSA-N 2 2 342.487 3.177 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001284199287 1379593053 /nfs/dbraw/zinc/59/30/53/1379593053.db2.gz VSIBXGPDCLGIRL-ROUUACIJSA-N 2 2 329.488 3.295 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc2cccnc2c1 ZINC001293587680 1382308165 /nfs/dbraw/zinc/30/81/65/1382308165.db2.gz AOKNIKSDWRSBNZ-UHFFFAOYSA-N 2 2 343.390 3.305 10 0 EGAELP CC(C)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC001300614345 1383673598 /nfs/dbraw/zinc/67/35/98/1383673598.db2.gz YUWSEIKCZLGAPN-UHFFFAOYSA-N 2 2 339.911 3.077 10 0 EGAELP CC(C)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC001300614345 1383673601 /nfs/dbraw/zinc/67/36/01/1383673601.db2.gz YUWSEIKCZLGAPN-UHFFFAOYSA-N 2 2 339.911 3.077 10 0 EGAELP Cc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001308154286 1384101678 /nfs/dbraw/zinc/10/16/78/1384101678.db2.gz PMGHMGRQJBFARG-KRWDZBQOSA-N 2 2 325.456 3.073 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316775093 1384574212 /nfs/dbraw/zinc/57/42/12/1384574212.db2.gz WYRBSFXARGUSDS-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316775093 1384574216 /nfs/dbraw/zinc/57/42/16/1384574216.db2.gz WYRBSFXARGUSDS-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839706 1384630565 /nfs/dbraw/zinc/63/05/65/1384630565.db2.gz QPLLFUKQWDSOHX-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839706 1384630567 /nfs/dbraw/zinc/63/05/67/1384630567.db2.gz QPLLFUKQWDSOHX-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899900 1384674360 /nfs/dbraw/zinc/67/43/60/1384674360.db2.gz DDPQWBZFDRMPAD-IEBWSBKVSA-N 2 2 336.907 3.192 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899900 1384674364 /nfs/dbraw/zinc/67/43/64/1384674364.db2.gz DDPQWBZFDRMPAD-IEBWSBKVSA-N 2 2 336.907 3.192 10 0 EGAELP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899900 1384674366 /nfs/dbraw/zinc/67/43/66/1384674366.db2.gz DDPQWBZFDRMPAD-IEBWSBKVSA-N 2 2 336.907 3.192 10 0 EGAELP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899900 1384674368 /nfs/dbraw/zinc/67/43/68/1384674368.db2.gz DDPQWBZFDRMPAD-IEBWSBKVSA-N 2 2 336.907 3.192 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317358880 1385103245 /nfs/dbraw/zinc/10/32/45/1385103245.db2.gz NVNQUBIVFONISV-ROUUACIJSA-N 2 2 348.535 3.380 10 0 EGAELP CCc1ccc2c(C[NH+]3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)cc(=O)oc2c1 ZINC001175070437 1385189193 /nfs/dbraw/zinc/18/91/93/1385189193.db2.gz UIRRDRFYLWMJKT-SFTDATJTSA-N 2 2 340.467 3.129 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001318807233 1385858751 /nfs/dbraw/zinc/85/87/51/1385858751.db2.gz XCDFUQWUZBHQOO-INIZCTEOSA-N 2 2 340.471 3.195 10 0 EGAELP CC[C@@H](C)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001698625947 1406267451 /nfs/dbraw/zinc/26/74/51/1406267451.db2.gz GJYYQPVLHRQBJF-OAHLLOKOSA-N 2 2 342.487 3.321 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319459577 1386130607 /nfs/dbraw/zinc/13/06/07/1386130607.db2.gz ALNKIBJRDJOUQG-PTZVLDCSSA-N 2 2 342.487 3.439 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001319475586 1386137561 /nfs/dbraw/zinc/13/75/61/1386137561.db2.gz JIAOXMZAULLQQS-IEBWSBKVSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806649 1386305920 /nfs/dbraw/zinc/30/59/20/1386305920.db2.gz GJKDTTWDGIMTQR-ROUUACIJSA-N 2 2 346.519 3.110 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CCC2CCCC2)C(C)C)c[nH+]1 ZINC001319921020 1386392733 /nfs/dbraw/zinc/39/27/33/1386392733.db2.gz AVMMHPTUGMRYDV-GOSISDBHSA-N 2 2 348.535 3.237 10 0 EGAELP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320148201 1386535358 /nfs/dbraw/zinc/53/53/58/1386535358.db2.gz AVXNEANOAJGJEC-MJGOQNOKSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001698665619 1406316587 /nfs/dbraw/zinc/31/65/87/1406316587.db2.gz VVVJYWBJHKXHQO-FOIQADDNSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001698670676 1406320474 /nfs/dbraw/zinc/32/04/74/1406320474.db2.gz APIZJZASIZNHHR-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698671907 1406321128 /nfs/dbraw/zinc/32/11/28/1406321128.db2.gz GCFRXLZZWSMBLP-HZPDHXFCSA-N 2 2 342.487 3.441 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210910 1387104553 /nfs/dbraw/zinc/10/45/53/1387104553.db2.gz QHSKSTUNMVTHIP-KEGWNNHHSA-N 2 2 340.471 3.279 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210910 1387104555 /nfs/dbraw/zinc/10/45/55/1387104555.db2.gz QHSKSTUNMVTHIP-KEGWNNHHSA-N 2 2 340.471 3.279 10 0 EGAELP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322571773 1387207347 /nfs/dbraw/zinc/20/73/47/1387207347.db2.gz ZICZPVLSPINWBS-UHFFFAOYSA-N 2 2 330.476 3.441 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001698709075 1406350744 /nfs/dbraw/zinc/35/07/44/1406350744.db2.gz AGJRJNATMFUIJB-FVQBIDKESA-N 2 2 328.460 3.240 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001329256235 1389037158 /nfs/dbraw/zinc/03/71/58/1389037158.db2.gz ZZHBSJPTFXLBGO-WWDZGPRUSA-N 2 2 332.492 3.160 10 0 EGAELP CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001329557687 1389155060 /nfs/dbraw/zinc/15/50/60/1389155060.db2.gz DMOXEVTYAFIZED-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001329557687 1389155061 /nfs/dbraw/zinc/15/50/61/1389155061.db2.gz DMOXEVTYAFIZED-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329924545 1389261393 /nfs/dbraw/zinc/26/13/93/1389261393.db2.gz WWMWFKVGRRNRKD-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329924545 1389261397 /nfs/dbraw/zinc/26/13/97/1389261397.db2.gz WWMWFKVGRRNRKD-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329924545 1389261401 /nfs/dbraw/zinc/26/14/01/1389261401.db2.gz WWMWFKVGRRNRKD-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329924545 1389261405 /nfs/dbraw/zinc/26/14/05/1389261405.db2.gz WWMWFKVGRRNRKD-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001329940629 1389269211 /nfs/dbraw/zinc/26/92/11/1389269211.db2.gz ZMTIXKJHXJCYFX-SJLPKXTDSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001329940629 1389269212 /nfs/dbraw/zinc/26/92/12/1389269212.db2.gz ZMTIXKJHXJCYFX-SJLPKXTDSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001329940629 1389269218 /nfs/dbraw/zinc/26/92/18/1389269218.db2.gz ZMTIXKJHXJCYFX-SJLPKXTDSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001329940629 1389269219 /nfs/dbraw/zinc/26/92/19/1389269219.db2.gz ZMTIXKJHXJCYFX-SJLPKXTDSA-N 2 2 334.508 3.139 10 0 EGAELP C[C@@H](CC(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001698725482 1406374883 /nfs/dbraw/zinc/37/48/83/1406374883.db2.gz FYIDMFCDDDWTJV-KRWDZBQOSA-N 2 2 348.535 3.489 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+][C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001331224545 1389659894 /nfs/dbraw/zinc/65/98/94/1389659894.db2.gz VRHUGPSLSNOABZ-SJLPKXTDSA-N 2 2 342.487 3.142 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001332859781 1390203632 /nfs/dbraw/zinc/20/36/32/1390203632.db2.gz JYRDLPNGUJOEFM-CFYWKSFZSA-N 2 2 346.519 3.000 10 0 EGAELP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001333314714 1390282483 /nfs/dbraw/zinc/28/24/83/1390282483.db2.gz SWDSBXSGZBIBMK-QWHCGFSZSA-N 2 2 344.425 3.182 10 0 EGAELP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001333314714 1390282486 /nfs/dbraw/zinc/28/24/86/1390282486.db2.gz SWDSBXSGZBIBMK-QWHCGFSZSA-N 2 2 344.425 3.182 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)ccn12 ZINC001698825845 1406518827 /nfs/dbraw/zinc/51/88/27/1406518827.db2.gz WBBPKASKRZWBGN-AWEZNQCLSA-N 2 2 330.476 3.129 10 0 EGAELP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001698839365 1406536334 /nfs/dbraw/zinc/53/63/34/1406536334.db2.gz PQNDRKSDBSKQDZ-HNNXBMFYSA-N 2 2 330.476 3.211 10 0 EGAELP CC[NH+](CC)CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001353307402 1391986768 /nfs/dbraw/zinc/98/67/68/1391986768.db2.gz SUNXAMVBNYTPBV-HKUYNNGSSA-N 2 2 342.487 3.424 10 0 EGAELP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479688526 1392320367 /nfs/dbraw/zinc/32/03/67/1392320367.db2.gz JOYUDYWHFQVZGN-WMZOPIPTSA-N 2 2 347.503 3.016 10 0 EGAELP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479692114 1392323542 /nfs/dbraw/zinc/32/35/42/1392323542.db2.gz OJTTVVDEZHZHRD-BDUNBXCCSA-N 2 2 332.492 3.059 10 0 EGAELP CC1CCC(C[NH+]2CCC(N(C)C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001479888410 1392459848 /nfs/dbraw/zinc/45/98/48/1392459848.db2.gz FVNXJEWNOLHZLT-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC1CCC(C[NH+]2CCC(N(C)C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001479888410 1392459849 /nfs/dbraw/zinc/45/98/49/1392459849.db2.gz FVNXJEWNOLHZLT-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905822 1392473043 /nfs/dbraw/zinc/47/30/43/1392473043.db2.gz XDOCAWGKCKCMCP-MSOLQXFVSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905822 1392473046 /nfs/dbraw/zinc/47/30/46/1392473046.db2.gz XDOCAWGKCKCMCP-MSOLQXFVSA-N 2 2 332.492 3.017 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480077516 1392567566 /nfs/dbraw/zinc/56/75/66/1392567566.db2.gz FWLLEIGBSGOSQB-GVDBMIGSSA-N 2 2 346.519 3.120 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480077516 1392567568 /nfs/dbraw/zinc/56/75/68/1392567568.db2.gz FWLLEIGBSGOSQB-GVDBMIGSSA-N 2 2 346.519 3.120 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480077516 1392567570 /nfs/dbraw/zinc/56/75/70/1392567570.db2.gz FWLLEIGBSGOSQB-GVDBMIGSSA-N 2 2 346.519 3.120 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480077516 1392567573 /nfs/dbraw/zinc/56/75/73/1392567573.db2.gz FWLLEIGBSGOSQB-GVDBMIGSSA-N 2 2 346.519 3.120 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480264353 1392648643 /nfs/dbraw/zinc/64/86/43/1392648643.db2.gz YOSXPVSRUBZROQ-ZWKOTPCHSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480264353 1392648648 /nfs/dbraw/zinc/64/86/48/1392648648.db2.gz YOSXPVSRUBZROQ-ZWKOTPCHSA-N 2 2 334.508 3.099 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480288883 1392661015 /nfs/dbraw/zinc/66/10/15/1392661015.db2.gz YVIGOHNCNCKXQQ-HPFMTEOYSA-N 2 2 346.519 3.111 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001480409629 1392746047 /nfs/dbraw/zinc/74/60/47/1392746047.db2.gz QODXYUXNXWPADZ-FAEJEUNOSA-N 2 2 346.519 3.186 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001480409629 1392746051 /nfs/dbraw/zinc/74/60/51/1392746051.db2.gz QODXYUXNXWPADZ-FAEJEUNOSA-N 2 2 346.519 3.186 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001698871461 1406591276 /nfs/dbraw/zinc/59/12/76/1406591276.db2.gz SZABCZHTALOKDS-SJORKVTESA-N 2 2 348.535 3.002 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH2+]CCC(C)C)C3)ccn12 ZINC001480692754 1392857171 /nfs/dbraw/zinc/85/71/71/1392857171.db2.gz HPJWXWQJENIOPF-QZTJIDSGSA-N 2 2 342.487 3.319 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)c(C)[nH+]1 ZINC001480825469 1392963532 /nfs/dbraw/zinc/96/35/32/1392963532.db2.gz AOIHNVSJXPHTCI-KRWDZBQOSA-N 2 2 335.467 3.341 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@H+]2CCCF)c(C)[nH+]1 ZINC001480825469 1392963536 /nfs/dbraw/zinc/96/35/36/1392963536.db2.gz AOIHNVSJXPHTCI-KRWDZBQOSA-N 2 2 335.467 3.341 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001481044846 1393104688 /nfs/dbraw/zinc/10/46/88/1393104688.db2.gz DUTXVRFODQMDTB-LKGOPFMKSA-N 2 2 346.519 3.254 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001481044846 1393104689 /nfs/dbraw/zinc/10/46/89/1393104689.db2.gz DUTXVRFODQMDTB-LKGOPFMKSA-N 2 2 346.519 3.254 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113302 1393123068 /nfs/dbraw/zinc/12/30/68/1393123068.db2.gz RVKKEVOQJJUPRL-HKUYNNGSSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481113302 1393123069 /nfs/dbraw/zinc/12/30/69/1393123069.db2.gz RVKKEVOQJJUPRL-HKUYNNGSSA-N 2 2 344.503 3.163 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481339735 1393167389 /nfs/dbraw/zinc/16/73/89/1393167389.db2.gz KWDHFFMSWOSNES-SJORKVTESA-N 2 2 348.535 3.487 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001698883450 1406615506 /nfs/dbraw/zinc/61/55/06/1406615506.db2.gz XQKUGVBAVQEIGC-IBGZPJMESA-N 2 2 344.503 3.107 10 0 EGAELP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCCCCF ZINC001698899038 1406632010 /nfs/dbraw/zinc/63/20/10/1406632010.db2.gz NVHHOBUYHMWEFD-GDBMZVCRSA-N 2 2 346.450 3.143 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001491110225 1394431110 /nfs/dbraw/zinc/43/11/10/1394431110.db2.gz FNVJQPVBRUFJFP-GOSISDBHSA-N 2 2 348.535 3.335 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001491110225 1394431112 /nfs/dbraw/zinc/43/11/12/1394431112.db2.gz FNVJQPVBRUFJFP-GOSISDBHSA-N 2 2 348.535 3.335 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481981552 1394642444 /nfs/dbraw/zinc/64/24/44/1394642444.db2.gz SMDRVZFCCAKHMB-GOSISDBHSA-N 2 2 346.519 3.111 10 0 EGAELP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482018055 1394674415 /nfs/dbraw/zinc/67/44/15/1394674415.db2.gz KHEKMKBKFVADRG-BZSNNMDCSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001482063475 1394724368 /nfs/dbraw/zinc/72/43/68/1394724368.db2.gz DSNDZDHDIVQONP-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001482469234 1395024129 /nfs/dbraw/zinc/02/41/29/1395024129.db2.gz BJNCVMBSTCMJHP-DLBZAZTESA-N 2 2 348.535 3.006 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001482478007 1395032553 /nfs/dbraw/zinc/03/25/53/1395032553.db2.gz JLNKBVXKQDEYPL-KGVXHEBISA-N 2 2 346.519 3.260 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001483917346 1395144594 /nfs/dbraw/zinc/14/45/94/1395144594.db2.gz KJXULJCTAFFNIP-QZTJIDSGSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+](CC2=CCCCC2)C1 ZINC001484161191 1395295490 /nfs/dbraw/zinc/29/54/90/1395295490.db2.gz SUDVLRYXMPWBRR-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+](CC2=CCCCC2)C1 ZINC001484161191 1395295493 /nfs/dbraw/zinc/29/54/93/1395295493.db2.gz SUDVLRYXMPWBRR-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+](CC2=CCCCC2)C1 ZINC001484161191 1395295499 /nfs/dbraw/zinc/29/54/99/1395295499.db2.gz SUDVLRYXMPWBRR-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+](CC2=CCCCC2)C1 ZINC001484161191 1395295500 /nfs/dbraw/zinc/29/55/00/1395295500.db2.gz SUDVLRYXMPWBRR-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484819445 1395553813 /nfs/dbraw/zinc/55/38/13/1395553813.db2.gz PPCKKHRFWSKBKX-UHFFFAOYSA-N 2 2 348.535 3.484 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001485176242 1395685775 /nfs/dbraw/zinc/68/57/75/1395685775.db2.gz VDRIREKFDAZNIJ-CVEARBPZSA-N 2 2 325.456 3.303 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001485176245 1395685787 /nfs/dbraw/zinc/68/57/87/1395685787.db2.gz VDRIREKFDAZNIJ-JKSUJKDBSA-N 2 2 325.456 3.303 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1CCC([NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001485239198 1395732151 /nfs/dbraw/zinc/73/21/51/1395732151.db2.gz DVVOOVMOJXAWIY-DAWZGUTISA-N 2 2 334.508 3.238 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570114 1396036237 /nfs/dbraw/zinc/03/62/37/1396036237.db2.gz RNBLUWXPWAVVKV-OOFWQKGWSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570114 1396036245 /nfs/dbraw/zinc/03/62/45/1396036245.db2.gz RNBLUWXPWAVVKV-OOFWQKGWSA-N 2 2 340.471 3.359 10 0 EGAELP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485723025 1396117826 /nfs/dbraw/zinc/11/78/26/1396117826.db2.gz VLXGIZNQGWHXFP-OAHLLOKOSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001485728370 1396120300 /nfs/dbraw/zinc/12/03/00/1396120300.db2.gz YLRIAOJAYWAWAU-INIZCTEOSA-N 2 2 346.519 3.302 10 0 EGAELP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001492090290 1396303580 /nfs/dbraw/zinc/30/35/80/1396303580.db2.gz QZHJCNRQBVYPAN-QZTJIDSGSA-N 2 2 342.487 3.136 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001492178540 1396312970 /nfs/dbraw/zinc/31/29/70/1396312970.db2.gz PEBWPZGKCAWMLK-QGZVFWFLSA-N 2 2 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ZINC001713858220 1418654755 /nfs/dbraw/zinc/65/47/55/1418654755.db2.gz LZAMHNDGEJMTFO-QGZVFWFLSA-N 2 2 346.519 3.258 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC=C(C)C)CC1 ZINC001713858220 1418654756 /nfs/dbraw/zinc/65/47/56/1418654756.db2.gz LZAMHNDGEJMTFO-QGZVFWFLSA-N 2 2 346.519 3.258 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714006097 1418786152 /nfs/dbraw/zinc/78/61/52/1418786152.db2.gz LZSRSQGUFZRGKS-QGZVFWFLSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714006097 1418786155 /nfs/dbraw/zinc/78/61/55/1418786155.db2.gz LZSRSQGUFZRGKS-QGZVFWFLSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153663 1418961896 /nfs/dbraw/zinc/96/18/96/1418961896.db2.gz KQNRNEJPFMFKTM-DLBZAZTESA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153663 1418961900 /nfs/dbraw/zinc/96/19/00/1418961900.db2.gz KQNRNEJPFMFKTM-DLBZAZTESA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153664 1418962086 /nfs/dbraw/zinc/96/20/86/1418962086.db2.gz KQNRNEJPFMFKTM-IAGOWNOFSA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714153664 1418962090 /nfs/dbraw/zinc/96/20/90/1418962090.db2.gz KQNRNEJPFMFKTM-IAGOWNOFSA-N 2 2 342.487 3.355 10 0 EGAELP CCCCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001714191178 1418998008 /nfs/dbraw/zinc/99/80/08/1418998008.db2.gz AKXDYUNCPIKEGJ-UHFFFAOYSA-N 2 2 328.460 3.155 10 0 EGAELP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714215003 1419012705 /nfs/dbraw/zinc/01/27/05/1419012705.db2.gz VNQYDOSKZTZFCQ-HUUCEWRRSA-N 2 2 346.450 3.143 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001733204264 1429310802 /nfs/dbraw/zinc/31/08/02/1429310802.db2.gz ZXFMSVGGMFPMJN-BTFXCVNISA-N 2 2 346.519 3.224 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402264 1419145189 /nfs/dbraw/zinc/14/51/89/1419145189.db2.gz VCSUCRZOTZHRFK-ZWKOTPCHSA-N 2 2 344.503 3.250 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402264 1419145191 /nfs/dbraw/zinc/14/51/91/1419145191.db2.gz VCSUCRZOTZHRFK-ZWKOTPCHSA-N 2 2 344.503 3.250 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714613213 1419373328 /nfs/dbraw/zinc/37/33/28/1419373328.db2.gz GRZFEFHDFLJRGZ-ROUUACIJSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714613213 1419373332 /nfs/dbraw/zinc/37/33/32/1419373332.db2.gz GRZFEFHDFLJRGZ-ROUUACIJSA-N 2 2 332.492 3.017 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+](CCCC(C)C)C3)ccn12 ZINC001714631656 1419402008 /nfs/dbraw/zinc/40/20/08/1419402008.db2.gz HKSQOBCRELJULY-QGZVFWFLSA-N 2 2 342.487 3.131 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+](CCCC(C)C)C3)ccn12 ZINC001714631656 1419402012 /nfs/dbraw/zinc/40/20/12/1419402012.db2.gz HKSQOBCRELJULY-QGZVFWFLSA-N 2 2 342.487 3.131 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](CC2CCCC2)C(C)C)c[nH+]1 ZINC001714823070 1419533911 /nfs/dbraw/zinc/53/39/11/1419533911.db2.gz AIFCUDRQMNIBAN-UHFFFAOYSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](CC2CCCC2)C(C)C)c[nH+]1 ZINC001714823070 1419533914 /nfs/dbraw/zinc/53/39/14/1419533914.db2.gz AIFCUDRQMNIBAN-UHFFFAOYSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001715027913 1419760345 /nfs/dbraw/zinc/76/03/45/1419760345.db2.gz OYCRLJUMKYTBLR-SJLPKXTDSA-N 2 2 348.535 3.334 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001715493225 1420174870 /nfs/dbraw/zinc/17/48/70/1420174870.db2.gz JVLHZNDUCCNGFC-RHSMWYFYSA-N 2 2 330.476 3.033 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001715665276 1420285701 /nfs/dbraw/zinc/28/57/01/1420285701.db2.gz QTFZGZIRCXHOEM-HOTGVXAUSA-N 2 2 330.476 3.115 10 0 EGAELP CCc1ccccc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715835530 1420361444 /nfs/dbraw/zinc/36/14/44/1420361444.db2.gz POUWERZIPNKAND-AATRIKPKSA-N 2 2 348.450 3.201 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001716062301 1420522303 /nfs/dbraw/zinc/52/23/03/1420522303.db2.gz FDYWNENCZAWTKY-IAGOWNOFSA-N 2 2 348.535 3.237 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001716868638 1420997031 /nfs/dbraw/zinc/99/70/31/1420997031.db2.gz XJTMOQBFKCRDJM-IFXJQAMLSA-N 2 2 335.467 3.197 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001717038717 1421093265 /nfs/dbraw/zinc/09/32/65/1421093265.db2.gz QTJGFCBOVGWCBQ-ROUUACIJSA-N 2 2 346.519 3.152 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC001717038717 1421093266 /nfs/dbraw/zinc/09/32/66/1421093266.db2.gz QTJGFCBOVGWCBQ-ROUUACIJSA-N 2 2 346.519 3.152 10 0 EGAELP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357039 1421292755 /nfs/dbraw/zinc/29/27/55/1421292755.db2.gz VOKFQLQYJCDJMU-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357039 1421292756 /nfs/dbraw/zinc/29/27/56/1421292756.db2.gz VOKFQLQYJCDJMU-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357039 1421292759 /nfs/dbraw/zinc/29/27/59/1421292759.db2.gz VOKFQLQYJCDJMU-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357039 1421292760 /nfs/dbraw/zinc/29/27/60/1421292760.db2.gz VOKFQLQYJCDJMU-IRXDYDNUSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001717368749 1421305953 /nfs/dbraw/zinc/30/59/53/1421305953.db2.gz FDJLGDVISUPLDN-QGZVFWFLSA-N 2 2 342.487 3.307 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001717368749 1421305957 /nfs/dbraw/zinc/30/59/57/1421305957.db2.gz FDJLGDVISUPLDN-QGZVFWFLSA-N 2 2 342.487 3.307 10 0 EGAELP Cc1cccn2cc(CC(=O)NC[C@H](C)[N@@H+](C)CCCC(C)C)[nH+]c12 ZINC001717493299 1421432583 /nfs/dbraw/zinc/43/25/83/1421432583.db2.gz VMMIGCPGVGDBPW-KRWDZBQOSA-N 2 2 344.503 3.058 10 0 EGAELP Cc1cccn2cc(CC(=O)NC[C@H](C)[N@H+](C)CCCC(C)C)[nH+]c12 ZINC001717493299 1421432585 /nfs/dbraw/zinc/43/25/85/1421432585.db2.gz VMMIGCPGVGDBPW-KRWDZBQOSA-N 2 2 344.503 3.058 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001733379468 1429563851 /nfs/dbraw/zinc/56/38/51/1429563851.db2.gz GDFOHFWFWHIXJK-YJBOKZPZSA-N 2 2 348.535 3.237 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733429963 1429637499 /nfs/dbraw/zinc/63/74/99/1429637499.db2.gz RCUYGIVRERJHFP-XOBRGWDASA-N 2 2 331.504 3.495 10 0 EGAELP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001723814860 1424574514 /nfs/dbraw/zinc/57/45/14/1424574514.db2.gz QDFFIKXAYIOZTQ-UHFFFAOYSA-N 2 2 345.531 3.185 10 0 EGAELP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001723814860 1424574516 /nfs/dbraw/zinc/57/45/16/1424574516.db2.gz QDFFIKXAYIOZTQ-UHFFFAOYSA-N 2 2 345.531 3.185 10 0 EGAELP C[C@@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001724254507 1424758426 /nfs/dbraw/zinc/75/84/26/1424758426.db2.gz KBPJSEXUFAQRDU-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724335416 1424829802 /nfs/dbraw/zinc/82/98/02/1424829802.db2.gz ZFZDHKZORACOGK-PKOBYXMFSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724335416 1424829814 /nfs/dbraw/zinc/82/98/14/1424829814.db2.gz ZFZDHKZORACOGK-PKOBYXMFSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724530758 1424896618 /nfs/dbraw/zinc/89/66/18/1424896618.db2.gz IZLXZKBUMKBBDI-AEFFLSMTSA-N 2 2 340.471 3.049 10 0 EGAELP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733565257 1429766128 /nfs/dbraw/zinc/76/61/28/1429766128.db2.gz DXWPNBHSSSWFCI-ITKOMUTFSA-N 2 2 344.503 3.058 10 0 EGAELP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733565257 1429766132 /nfs/dbraw/zinc/76/61/32/1429766132.db2.gz DXWPNBHSSSWFCI-ITKOMUTFSA-N 2 2 344.503 3.058 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001724728207 1425080253 /nfs/dbraw/zinc/08/02/53/1425080253.db2.gz KSRTUCUWCDTPCC-DLBZAZTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001724728207 1425080257 /nfs/dbraw/zinc/08/02/57/1425080257.db2.gz KSRTUCUWCDTPCC-DLBZAZTESA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)(C)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001724790121 1425156608 /nfs/dbraw/zinc/15/66/08/1425156608.db2.gz TXSDMHSGXDFINQ-UHFFFAOYSA-N 2 2 328.460 3.013 10 0 EGAELP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001724890812 1425277348 /nfs/dbraw/zinc/27/73/48/1425277348.db2.gz GUUNJADZLVRZDB-BQYQJAHWSA-N 2 2 346.519 3.368 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001724997435 1425403775 /nfs/dbraw/zinc/40/37/75/1425403775.db2.gz SHYMHJPQIQDKIR-FUHWJXTLSA-N 2 2 347.503 3.182 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001724997435 1425403781 /nfs/dbraw/zinc/40/37/81/1425403781.db2.gz SHYMHJPQIQDKIR-FUHWJXTLSA-N 2 2 347.503 3.182 10 0 EGAELP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001725514330 1426203904 /nfs/dbraw/zinc/20/39/04/1426203904.db2.gz ITNNVLPJAXIWJQ-NVXWUHKLSA-N 2 2 342.487 3.275 10 0 EGAELP C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)n1cc[nH+]c1 ZINC001725680026 1426368017 /nfs/dbraw/zinc/36/80/17/1426368017.db2.gz WBTPGBDLZVENMJ-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)N(CC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730216 1426398376 /nfs/dbraw/zinc/39/83/76/1426398376.db2.gz QKGOCSOBOXFIIS-MSOLQXFVSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730216 1426398381 /nfs/dbraw/zinc/39/83/81/1426398381.db2.gz QKGOCSOBOXFIIS-MSOLQXFVSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544329 1427559463 /nfs/dbraw/zinc/55/94/63/1427559463.db2.gz UMDGWMXXQVWWCQ-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001731544329 1427559470 /nfs/dbraw/zinc/55/94/70/1427559470.db2.gz UMDGWMXXQVWWCQ-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP CCOCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001731701544 1427753430 /nfs/dbraw/zinc/75/34/30/1427753430.db2.gz TXCSGGVCXIDYPS-MSOLQXFVSA-N 2 2 347.503 3.064 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1)n1cc[nH+]c1 ZINC001733724247 1429948692 /nfs/dbraw/zinc/94/86/92/1429948692.db2.gz GVUFRQNORZAKAA-INIZCTEOSA-N 2 2 334.508 3.289 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001733980208 1437778042 /nfs/dbraw/zinc/77/80/42/1437778042.db2.gz UMIMKVZOMLHFQA-HOTGVXAUSA-N 2 2 347.503 3.086 10 0 EGAELP CCC(CC)C[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001734629312 1438192281 /nfs/dbraw/zinc/19/22/81/1438192281.db2.gz NOZGFHVTCOQOEX-UHFFFAOYSA-N 2 2 346.519 3.111 10 0 EGAELP CCC(CC)C[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001734629312 1438192283 /nfs/dbraw/zinc/19/22/83/1438192283.db2.gz NOZGFHVTCOQOEX-UHFFFAOYSA-N 2 2 346.519 3.111 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368098960 168311062 /nfs/dbraw/zinc/31/10/62/168311062.db2.gz DHWMGVLWYUSGFW-YLJYHZDGSA-N 2 2 348.450 3.244 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368098960 168311063 /nfs/dbraw/zinc/31/10/63/168311063.db2.gz DHWMGVLWYUSGFW-YLJYHZDGSA-N 2 2 348.450 3.244 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cs1 ZINC000368104795 168311736 /nfs/dbraw/zinc/31/17/36/168311736.db2.gz JRIIVGDSGSDXLK-PSASIEDQSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cs1 ZINC000368104795 168311737 /nfs/dbraw/zinc/31/17/37/168311737.db2.gz JRIIVGDSGSDXLK-PSASIEDQSA-N 2 2 326.263 3.442 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097907401 219059716 /nfs/dbraw/zinc/05/97/16/219059716.db2.gz YFHIPMRGCRIHNG-UHFFFAOYSA-N 2 2 349.482 3.354 10 0 EGAELP COc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187032256 236099919 /nfs/dbraw/zinc/09/99/19/236099919.db2.gz SCRUYWMDPJWEAI-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187032256 236099921 /nfs/dbraw/zinc/09/99/21/236099921.db2.gz SCRUYWMDPJWEAI-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187032256 236099923 /nfs/dbraw/zinc/09/99/23/236099923.db2.gz SCRUYWMDPJWEAI-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187032256 236099926 /nfs/dbraw/zinc/09/99/26/236099926.db2.gz SCRUYWMDPJWEAI-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000035500525 213032228 /nfs/dbraw/zinc/03/22/28/213032228.db2.gz PSFCULPJDVAHSZ-OALUTQOASA-N 2 2 348.531 3.106 10 0 EGAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000035500525 213032232 /nfs/dbraw/zinc/03/22/32/213032232.db2.gz PSFCULPJDVAHSZ-OALUTQOASA-N 2 2 348.531 3.106 10 0 EGAELP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897839 237373388 /nfs/dbraw/zinc/37/33/88/237373388.db2.gz XZUFCIXVIAMJKG-GFCCVEGCSA-N 2 2 345.340 3.440 10 0 EGAELP CC1(C)Cc2cc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)ccc2O1 ZINC000020598668 212151010 /nfs/dbraw/zinc/15/10/10/212151010.db2.gz FLZLGGYHRATEPM-UHFFFAOYSA-N 2 2 334.423 3.271 10 0 EGAELP C[N@H+](CCc1ccccn1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019843899 212075741 /nfs/dbraw/zinc/07/57/41/212075741.db2.gz CKASSMSXVNZDAF-INIZCTEOSA-N 2 2 334.261 3.018 10 0 EGAELP C[N@@H+](CCc1ccccn1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019843899 212075742 /nfs/dbraw/zinc/07/57/42/212075742.db2.gz CKASSMSXVNZDAF-INIZCTEOSA-N 2 2 334.261 3.018 10 0 EGAELP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000378408003 169116188 /nfs/dbraw/zinc/11/61/88/169116188.db2.gz ZDAFGLVLXHRJGL-RTBURBONSA-N 2 2 331.504 3.229 10 0 EGAELP Cc1ncsc1C[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000092936701 218181598 /nfs/dbraw/zinc/18/15/98/218181598.db2.gz ZKPDCMZUTORCBT-UHFFFAOYSA-N 2 2 327.457 3.040 10 0 EGAELP Cc1ncsc1C[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000092936701 218181600 /nfs/dbraw/zinc/18/16/00/218181600.db2.gz ZKPDCMZUTORCBT-UHFFFAOYSA-N 2 2 327.457 3.040 10 0 EGAELP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644872 218237966 /nfs/dbraw/zinc/23/79/66/218237966.db2.gz SLWVFPQCAQDYQJ-ZBFHGGJFSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644872 218237969 /nfs/dbraw/zinc/23/79/69/218237969.db2.gz SLWVFPQCAQDYQJ-ZBFHGGJFSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644872 218237972 /nfs/dbraw/zinc/23/79/72/218237972.db2.gz SLWVFPQCAQDYQJ-ZBFHGGJFSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644872 218237974 /nfs/dbraw/zinc/23/79/74/218237974.db2.gz SLWVFPQCAQDYQJ-ZBFHGGJFSA-N 2 2 336.476 3.017 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c(C)nc2s1 ZINC000093866173 218254828 /nfs/dbraw/zinc/25/48/28/218254828.db2.gz FOZGOOKAESDLCS-HNNXBMFYSA-N 2 2 328.441 3.061 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c(C)nc2s1 ZINC000093866173 218254831 /nfs/dbraw/zinc/25/48/31/218254831.db2.gz FOZGOOKAESDLCS-HNNXBMFYSA-N 2 2 328.441 3.061 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c(C)nc2s1 ZINC000093866174 218254060 /nfs/dbraw/zinc/25/40/60/218254060.db2.gz FOZGOOKAESDLCS-OAHLLOKOSA-N 2 2 328.441 3.061 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c(C)nc2s1 ZINC000093866174 218254063 /nfs/dbraw/zinc/25/40/63/218254063.db2.gz FOZGOOKAESDLCS-OAHLLOKOSA-N 2 2 328.441 3.061 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736095 252185732 /nfs/dbraw/zinc/18/57/32/252185732.db2.gz VRFWNWLFYRLUMC-FXAWDEMLSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736095 252185736 /nfs/dbraw/zinc/18/57/36/252185736.db2.gz VRFWNWLFYRLUMC-FXAWDEMLSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268746463 252197408 /nfs/dbraw/zinc/19/74/08/252197408.db2.gz HUBNJVKMOBLGEZ-LAUBAEHRSA-N 3 2 327.516 3.113 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2[nH+]1 ZINC000268865229 252313547 /nfs/dbraw/zinc/31/35/47/252313547.db2.gz FDNPWHDCBMTBEN-UHFFFAOYSA-N 2 2 341.459 3.125 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c(C4CC4)n3)c2)CCO1 ZINC000112553650 220349232 /nfs/dbraw/zinc/34/92/32/220349232.db2.gz PUFGTEVZIUDDMG-OAHLLOKOSA-N 2 2 338.455 3.187 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c(C4CC4)n3)c2)CCO1 ZINC000112553650 220349235 /nfs/dbraw/zinc/34/92/35/220349235.db2.gz PUFGTEVZIUDDMG-OAHLLOKOSA-N 2 2 338.455 3.187 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000246652454 141022783 /nfs/dbraw/zinc/02/27/83/141022783.db2.gz QZDDELOYMQYNIT-ZBFHGGJFSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000246652454 141022785 /nfs/dbraw/zinc/02/27/85/141022785.db2.gz QZDDELOYMQYNIT-ZBFHGGJFSA-N 2 2 325.460 3.379 10 0 EGAELP C[C@H](CCC(C)(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000348026842 141234027 /nfs/dbraw/zinc/23/40/27/141234027.db2.gz SVPLJVCUMKOHQB-KAKFPZCNSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@H](CCC(C)(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000348026842 141234030 /nfs/dbraw/zinc/23/40/30/141234030.db2.gz SVPLJVCUMKOHQB-KAKFPZCNSA-N 2 2 349.563 3.218 10 0 EGAELP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350738660 141264233 /nfs/dbraw/zinc/26/42/33/141264233.db2.gz YNUFIZCBVSTRLC-HNNXBMFYSA-N 2 2 339.487 3.191 10 0 EGAELP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350738660 141264236 /nfs/dbraw/zinc/26/42/36/141264236.db2.gz YNUFIZCBVSTRLC-HNNXBMFYSA-N 2 2 339.487 3.191 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356342982 141344817 /nfs/dbraw/zinc/34/48/17/141344817.db2.gz RETOEUYKDAALLV-LBPRGKRZSA-N 2 2 325.334 3.134 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356342982 141344819 /nfs/dbraw/zinc/34/48/19/141344819.db2.gz RETOEUYKDAALLV-LBPRGKRZSA-N 2 2 325.334 3.134 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172001447 144014591 /nfs/dbraw/zinc/01/45/91/144014591.db2.gz VCSRRPPCKDOIIZ-UHFFFAOYSA-N 2 2 337.423 3.184 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172001447 144014593 /nfs/dbraw/zinc/01/45/93/144014593.db2.gz VCSRRPPCKDOIIZ-UHFFFAOYSA-N 2 2 337.423 3.184 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000173370668 144040433 /nfs/dbraw/zinc/04/04/33/144040433.db2.gz DCXRNDCSWZDFMR-UHFFFAOYSA-N 2 2 325.391 3.045 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083738 144151699 /nfs/dbraw/zinc/15/16/99/144151699.db2.gz FDENRCAMVPPBJO-OAHLLOKOSA-N 2 2 336.426 3.345 10 0 EGAELP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083738 144151701 /nfs/dbraw/zinc/15/17/01/144151701.db2.gz FDENRCAMVPPBJO-OAHLLOKOSA-N 2 2 336.426 3.345 10 0 EGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187892012 144166177 /nfs/dbraw/zinc/16/61/77/144166177.db2.gz JANFSWHITRFNQT-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187892012 144166179 /nfs/dbraw/zinc/16/61/79/144166179.db2.gz JANFSWHITRFNQT-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000119005338 152165135 /nfs/dbraw/zinc/16/51/35/152165135.db2.gz BZAOOGBQEFFYOO-ZKIDJSGLSA-N 2 2 343.515 3.085 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000119005338 152165136 /nfs/dbraw/zinc/16/51/36/152165136.db2.gz BZAOOGBQEFFYOO-ZKIDJSGLSA-N 2 2 343.515 3.085 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000189721122 153092623 /nfs/dbraw/zinc/09/26/23/153092623.db2.gz MHKBNIOQAQXKSM-MRXNPFEDSA-N 2 2 339.886 3.081 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378543 154320152 /nfs/dbraw/zinc/32/01/52/154320152.db2.gz BVFCCSKJIDMCRY-QFBILLFUSA-N 2 2 334.508 3.006 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378543 154320155 /nfs/dbraw/zinc/32/01/55/154320155.db2.gz BVFCCSKJIDMCRY-QFBILLFUSA-N 2 2 334.508 3.006 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453712 154361592 /nfs/dbraw/zinc/36/15/92/154361592.db2.gz VPCKWFKRXDUUNC-MJGOQNOKSA-N 2 2 331.504 3.340 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453712 154361596 /nfs/dbraw/zinc/36/15/96/154361596.db2.gz VPCKWFKRXDUUNC-MJGOQNOKSA-N 2 2 331.504 3.340 10 0 EGAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504537 154386907 /nfs/dbraw/zinc/38/69/07/154386907.db2.gz YBJZBTVWSZPDMW-WBVHZDCISA-N 2 2 333.476 3.131 10 0 EGAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504537 154386908 /nfs/dbraw/zinc/38/69/08/154386908.db2.gz YBJZBTVWSZPDMW-WBVHZDCISA-N 2 2 333.476 3.131 10 0 EGAELP CO[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000345483837 156125195 /nfs/dbraw/zinc/12/51/95/156125195.db2.gz MFICCNSQHPBLKG-SWLSCSKDSA-N 2 2 327.350 3.490 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643657 162020108 /nfs/dbraw/zinc/02/01/08/162020108.db2.gz OWIZEMZZENZDEB-UZLBHIALSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643657 162020110 /nfs/dbraw/zinc/02/01/10/162020110.db2.gz OWIZEMZZENZDEB-UZLBHIALSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643657 162020111 /nfs/dbraw/zinc/02/01/11/162020111.db2.gz OWIZEMZZENZDEB-UZLBHIALSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643657 162020113 /nfs/dbraw/zinc/02/01/13/162020113.db2.gz OWIZEMZZENZDEB-UZLBHIALSA-N 2 2 340.515 3.463 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000109005792 162090743 /nfs/dbraw/zinc/09/07/43/162090743.db2.gz YMILTSZWKZJQSU-GOSISDBHSA-N 2 2 346.519 3.169 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000109005792 162090747 /nfs/dbraw/zinc/09/07/47/162090747.db2.gz YMILTSZWKZJQSU-GOSISDBHSA-N 2 2 346.519 3.169 10 0 EGAELP Cc1ccccc1-c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)no1 ZINC000126808309 162313863 /nfs/dbraw/zinc/31/38/63/162313863.db2.gz QSKKBYOXPPOIDZ-UHFFFAOYSA-N 2 2 340.471 3.353 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892195 163088295 /nfs/dbraw/zinc/08/82/95/163088295.db2.gz JJVNDKDOHXUBHP-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892195 163088298 /nfs/dbraw/zinc/08/82/98/163088298.db2.gz JJVNDKDOHXUBHP-YPMHNXCESA-N 2 2 327.266 3.203 10 0 EGAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354806548 166036976 /nfs/dbraw/zinc/03/69/76/166036976.db2.gz LTPHTGLNGPYKCV-JKSUJKDBSA-N 2 2 348.535 3.265 10 0 EGAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354806548 166036979 /nfs/dbraw/zinc/03/69/79/166036979.db2.gz LTPHTGLNGPYKCV-JKSUJKDBSA-N 2 2 348.535 3.265 10 0 EGAELP Cc1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc[nH+]1 ZINC000345645116 164233760 /nfs/dbraw/zinc/23/37/60/164233760.db2.gz TWXBJMKHIGRLQR-UHFFFAOYSA-N 2 2 345.446 3.453 10 0 EGAELP C[NH+](C)CCCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346165667 164354327 /nfs/dbraw/zinc/35/43/27/164354327.db2.gz ILWOGYRWLCOTBT-UHFFFAOYSA-N 3 2 332.517 3.488 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346307240 164366859 /nfs/dbraw/zinc/36/68/59/164366859.db2.gz DJEAPGNBWGCIQS-NRFANRHFSA-N 2 2 348.450 3.019 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000346307240 164366860 /nfs/dbraw/zinc/36/68/60/164366860.db2.gz DJEAPGNBWGCIQS-NRFANRHFSA-N 2 2 348.450 3.019 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000355646291 166270957 /nfs/dbraw/zinc/27/09/57/166270957.db2.gz FQVXOHBOCVWBMK-IHWYPQMZSA-N 2 2 345.393 3.204 10 0 EGAELP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229818 167102393 /nfs/dbraw/zinc/10/23/93/167102393.db2.gz RNMQUKZXDFLNIW-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000359229818 167102395 /nfs/dbraw/zinc/10/23/95/167102395.db2.gz RNMQUKZXDFLNIW-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000359229818 167102396 /nfs/dbraw/zinc/10/23/96/167102396.db2.gz RNMQUKZXDFLNIW-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000359229818 167102400 /nfs/dbraw/zinc/10/24/00/167102400.db2.gz RNMQUKZXDFLNIW-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP c1ccc(CC[NH+]2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000366280227 168102025 /nfs/dbraw/zinc/10/20/25/168102025.db2.gz IMPUVAFGJYOEOX-UHFFFAOYSA-N 3 2 341.543 3.300 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366923301 168157641 /nfs/dbraw/zinc/15/76/41/168157641.db2.gz RZCNRPXNVPQENL-BLLLJJGKSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366923301 168157643 /nfs/dbraw/zinc/15/76/43/168157643.db2.gz RZCNRPXNVPQENL-BLLLJJGKSA-N 2 2 338.908 3.308 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000367356807 168213409 /nfs/dbraw/zinc/21/34/09/168213409.db2.gz QDNFZSAAZVUNBX-UHFFFAOYSA-N 2 2 343.515 3.484 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000122900470 222179537 /nfs/dbraw/zinc/17/95/37/222179537.db2.gz QOWDEDWLQSHJRG-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000122900470 222179541 /nfs/dbraw/zinc/17/95/41/222179541.db2.gz QOWDEDWLQSHJRG-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123091082 222214271 /nfs/dbraw/zinc/21/42/71/222214271.db2.gz IYMSCJSQOFFCII-YJBOKZPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123091082 222214276 /nfs/dbraw/zinc/21/42/76/222214276.db2.gz IYMSCJSQOFFCII-YJBOKZPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123091082 222214280 /nfs/dbraw/zinc/21/42/80/222214280.db2.gz IYMSCJSQOFFCII-YJBOKZPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000123091082 222214286 /nfs/dbraw/zinc/21/42/86/222214286.db2.gz IYMSCJSQOFFCII-YJBOKZPZSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000123929832 222354161 /nfs/dbraw/zinc/35/41/61/222354161.db2.gz XRBUSNXWSUYIAL-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000123929832 222354166 /nfs/dbraw/zinc/35/41/66/222354166.db2.gz XRBUSNXWSUYIAL-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929832 222354167 /nfs/dbraw/zinc/35/41/67/222354167.db2.gz XRBUSNXWSUYIAL-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929832 222354171 /nfs/dbraw/zinc/35/41/71/222354171.db2.gz XRBUSNXWSUYIAL-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C ZINC000124047990 222368673 /nfs/dbraw/zinc/36/86/73/222368673.db2.gz LIWRPAWRBDSQGJ-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000124047990 222368677 /nfs/dbraw/zinc/36/86/77/222368677.db2.gz LIWRPAWRBDSQGJ-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047990 222368678 /nfs/dbraw/zinc/36/86/78/222368678.db2.gz LIWRPAWRBDSQGJ-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH+]1C ZINC000124047990 222368680 /nfs/dbraw/zinc/36/86/80/222368680.db2.gz LIWRPAWRBDSQGJ-BBRMVZONSA-N 2 2 348.878 3.347 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719952 265132449 /nfs/dbraw/zinc/13/24/49/265132449.db2.gz CIXMGQZWIATCRR-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719952 265132451 /nfs/dbraw/zinc/13/24/51/265132451.db2.gz CIXMGQZWIATCRR-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719952 265132452 /nfs/dbraw/zinc/13/24/52/265132452.db2.gz CIXMGQZWIATCRR-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719952 265132454 /nfs/dbraw/zinc/13/24/54/265132454.db2.gz CIXMGQZWIATCRR-VQIMIIECSA-N 2 2 331.504 3.411 10 0 EGAELP O[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000177244981 265243760 /nfs/dbraw/zinc/24/37/60/265243760.db2.gz MJDNCOZAKLVLNK-NHCUHLMSSA-N 2 2 342.458 3.352 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000274819055 267291395 /nfs/dbraw/zinc/29/13/95/267291395.db2.gz JKVCRQSCKNUBIY-GDBMZVCRSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000274819055 267291398 /nfs/dbraw/zinc/29/13/98/267291398.db2.gz JKVCRQSCKNUBIY-GDBMZVCRSA-N 2 2 330.501 3.101 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180906314 275204000 /nfs/dbraw/zinc/20/40/00/275204000.db2.gz YZVXLTMBEINSAZ-LSDHHAIUSA-N 2 2 339.277 3.174 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000180906314 275204003 /nfs/dbraw/zinc/20/40/03/275204003.db2.gz YZVXLTMBEINSAZ-LSDHHAIUSA-N 2 2 339.277 3.174 10 0 EGAELP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-n2cncn2)c1 ZINC000279725538 275353530 /nfs/dbraw/zinc/35/35/30/275353530.db2.gz VJPGPJFEHSNIEQ-UHFFFAOYSA-N 2 2 342.834 3.023 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767501 276225477 /nfs/dbraw/zinc/22/54/77/276225477.db2.gz LQIYBTRXEQSZEH-ZFWWWQNUSA-N 2 2 349.548 3.385 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767501 276225478 /nfs/dbraw/zinc/22/54/78/276225478.db2.gz LQIYBTRXEQSZEH-ZFWWWQNUSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767501 276225479 /nfs/dbraw/zinc/22/54/79/276225479.db2.gz LQIYBTRXEQSZEH-ZFWWWQNUSA-N 2 2 349.548 3.385 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000353767501 276225480 /nfs/dbraw/zinc/22/54/80/276225480.db2.gz LQIYBTRXEQSZEH-ZFWWWQNUSA-N 2 2 349.548 3.385 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1F ZINC000292067191 276728885 /nfs/dbraw/zinc/72/88/85/276728885.db2.gz HCQZQZSQKOKPOR-GOSISDBHSA-N 2 2 345.466 3.417 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000361336917 293479023 /nfs/dbraw/zinc/47/90/23/293479023.db2.gz SOSKYCJWWGEANC-DLBZAZTESA-N 2 2 342.487 3.149 10 0 EGAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263910447 304545986 /nfs/dbraw/zinc/54/59/86/304545986.db2.gz BREBZDMIWFUWAI-GOSISDBHSA-N 2 2 338.455 3.025 10 0 EGAELP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000414065709 309058664 /nfs/dbraw/zinc/05/86/64/309058664.db2.gz OVWPIWRNCJWZKE-MRXNPFEDSA-N 2 2 336.439 3.056 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000414157109 309063856 /nfs/dbraw/zinc/06/38/56/309063856.db2.gz XLVZKYDIHJJWFH-STXHMFSFSA-N 2 2 329.488 3.244 10 0 EGAELP COCCN(C)c1ccc(CNc2ccc(C3CCC3)c[nH+]2)c[nH+]1 ZINC000292859066 308073249 /nfs/dbraw/zinc/07/32/49/308073249.db2.gz AOLBDVTWRXHJIN-UHFFFAOYSA-N 2 2 326.444 3.439 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918197 308079750 /nfs/dbraw/zinc/07/97/50/308079750.db2.gz HYFIZZHQOCOULP-HKUYNNGSSA-N 2 2 347.890 3.251 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918197 308079751 /nfs/dbraw/zinc/07/97/51/308079751.db2.gz HYFIZZHQOCOULP-HKUYNNGSSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918197 308079752 /nfs/dbraw/zinc/07/97/52/308079752.db2.gz HYFIZZHQOCOULP-HKUYNNGSSA-N 2 2 347.890 3.251 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1 ZINC000292918197 308079753 /nfs/dbraw/zinc/07/97/53/308079753.db2.gz HYFIZZHQOCOULP-HKUYNNGSSA-N 2 2 347.890 3.251 10 0 EGAELP Cc1nnsc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000293249185 308113563 /nfs/dbraw/zinc/11/35/63/308113563.db2.gz BMIRYNGZWRBDPT-OSYLJGHBSA-N 2 2 328.485 3.132 10 0 EGAELP Cc1nnsc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000293249185 308113565 /nfs/dbraw/zinc/11/35/65/308113565.db2.gz BMIRYNGZWRBDPT-OSYLJGHBSA-N 2 2 328.485 3.132 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827827 309104094 /nfs/dbraw/zinc/10/40/94/309104094.db2.gz HWHJAKCCGQUQAO-QZTJIDSGSA-N 2 2 328.456 3.315 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040027 309115947 /nfs/dbraw/zinc/11/59/47/309115947.db2.gz JOZFACAOUDAMRQ-BLLLJJGKSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040027 309115948 /nfs/dbraw/zinc/11/59/48/309115948.db2.gz JOZFACAOUDAMRQ-BLLLJJGKSA-N 2 2 339.277 3.119 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415064676 309117990 /nfs/dbraw/zinc/11/79/90/309117990.db2.gz DKOHIPFWZHJZAR-CQSZACIVSA-N 2 2 346.393 3.258 10 0 EGAELP CC[N@@H+]1CC[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108864 309120798 /nfs/dbraw/zinc/12/07/98/309120798.db2.gz PHSBTRSJHXSTGK-WBVHZDCISA-N 2 2 343.437 3.217 10 0 EGAELP CC[N@H+]1CC[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108864 309120799 /nfs/dbraw/zinc/12/07/99/309120799.db2.gz PHSBTRSJHXSTGK-WBVHZDCISA-N 2 2 343.437 3.217 10 0 EGAELP Fc1ccccc1NCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000419688272 309271162 /nfs/dbraw/zinc/27/11/62/309271162.db2.gz RDDWDJUMTXRYSB-UHFFFAOYSA-N 2 2 342.462 3.277 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000420346880 309283580 /nfs/dbraw/zinc/28/35/80/309283580.db2.gz DXENOYZAMMPILW-OAQYLSRUSA-N 2 2 337.467 3.236 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000420346880 309283581 /nfs/dbraw/zinc/28/35/81/309283581.db2.gz DXENOYZAMMPILW-OAQYLSRUSA-N 2 2 337.467 3.236 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977203 309305314 /nfs/dbraw/zinc/30/53/14/309305314.db2.gz RWFGWXQXYKGJPC-HNNXBMFYSA-N 2 2 348.288 3.432 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977203 309305315 /nfs/dbraw/zinc/30/53/15/309305315.db2.gz RWFGWXQXYKGJPC-HNNXBMFYSA-N 2 2 348.288 3.432 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422705143 309364090 /nfs/dbraw/zinc/36/40/90/309364090.db2.gz QYQCHCZYESQRNT-UFYCRDLUSA-N 2 2 332.488 3.019 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422812907 309369675 /nfs/dbraw/zinc/36/96/75/309369675.db2.gz YIDUGYMEOPKLQF-LLVKDONJSA-N 2 2 325.334 3.286 10 0 EGAELP C[C@@H]1C[C@@H]1[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000422923419 309376257 /nfs/dbraw/zinc/37/62/57/309376257.db2.gz RYETTXDNHCSDCE-QKPHTXKDSA-N 2 2 334.891 3.394 10 0 EGAELP CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422990943 309379826 /nfs/dbraw/zinc/37/98/26/309379826.db2.gz OUEBETWNVZYNQD-RKDVLTNBSA-N 2 2 328.500 3.244 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000422998601 309380111 /nfs/dbraw/zinc/38/01/11/309380111.db2.gz QWSNOTKIXROILP-WOJBJXKFSA-N 2 2 325.456 3.106 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2nccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423032305 309382091 /nfs/dbraw/zinc/38/20/91/309382091.db2.gz FGAUAVWOIJHIMC-COXVUDFISA-N 2 2 331.485 3.338 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423045224 309382810 /nfs/dbraw/zinc/38/28/10/309382810.db2.gz CPILCEMDVJTKDB-HZUJVAHNSA-N 3 2 338.499 3.020 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423045224 309382811 /nfs/dbraw/zinc/38/28/11/309382811.db2.gz CPILCEMDVJTKDB-HZUJVAHNSA-N 3 2 338.499 3.020 10 0 EGAELP CCn1cc[nH+]c1[C@H](C)N[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423146362 309388373 /nfs/dbraw/zinc/38/83/73/309388373.db2.gz AIRMDFFFUGKCQU-BMGDILEWSA-N 2 2 328.460 3.056 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000423237545 309391789 /nfs/dbraw/zinc/39/17/89/309391789.db2.gz UJKNLKWMHYTLKT-ZDUSSCGKSA-N 2 2 348.397 3.266 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423242518 309392056 /nfs/dbraw/zinc/39/20/56/309392056.db2.gz MCQJCYYELJCCJH-WOJBJXKFSA-N 2 2 335.455 3.008 10 0 EGAELP Cn1ccc([C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423345199 309396345 /nfs/dbraw/zinc/39/63/45/309396345.db2.gz OURHUGIZVYTDHF-ROUUACIJSA-N 2 2 332.879 3.142 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423353977 309396803 /nfs/dbraw/zinc/39/68/03/309396803.db2.gz CISAZSFVAPETSN-ZWZTZDBGSA-N 2 2 327.241 3.163 10 0 EGAELP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423365609 309397244 /nfs/dbraw/zinc/39/72/44/309397244.db2.gz KOUDLTRMFWPSKY-YUMQZZPRSA-N 2 2 336.071 3.209 10 0 EGAELP CC(C)n1cncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000425337394 309474006 /nfs/dbraw/zinc/47/40/06/309474006.db2.gz MTYVAISHYBUEEC-UHFFFAOYSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000425376718 309477350 /nfs/dbraw/zinc/47/73/50/309477350.db2.gz FPZSAOKCDDUGBD-UHFFFAOYSA-N 2 2 336.430 3.306 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448330469 310002066 /nfs/dbraw/zinc/00/20/66/310002066.db2.gz DHCPRLRTKSBLOS-PGRDOPGGSA-N 2 2 346.478 3.482 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000449190003 310043429 /nfs/dbraw/zinc/04/34/29/310043429.db2.gz IHNKFMXERCWRRS-INIZCTEOSA-N 2 2 327.447 3.406 10 0 EGAELP Cc1nnsc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449339833 310054701 /nfs/dbraw/zinc/05/47/01/310054701.db2.gz ZJRXBBAVSXCCRZ-AWEZNQCLSA-N 2 2 330.501 3.032 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388848 310058229 /nfs/dbraw/zinc/05/82/29/310058229.db2.gz QNGSOARCGBBIAR-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388848 310058230 /nfs/dbraw/zinc/05/82/30/310058230.db2.gz QNGSOARCGBBIAR-KGLIPLIRSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395957 310058597 /nfs/dbraw/zinc/05/85/97/310058597.db2.gz KJVJFTOCXUBIBZ-RHSMWYFYSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395957 310058598 /nfs/dbraw/zinc/05/85/98/310058598.db2.gz KJVJFTOCXUBIBZ-RHSMWYFYSA-N 2 2 344.421 3.073 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451593134 310188322 /nfs/dbraw/zinc/18/83/22/310188322.db2.gz CRTFKKLFHFINOM-PMACEKPBSA-N 2 2 325.456 3.067 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)C[NH+]1CCCC1 ZINC000453061972 310255317 /nfs/dbraw/zinc/25/53/17/310255317.db2.gz OHVOFVIEVZQMTO-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2sccc21 ZINC000453080541 310256720 /nfs/dbraw/zinc/25/67/20/310256720.db2.gz BEEAQINNPVEDLQ-DJIMGWMZSA-N 2 2 349.544 3.219 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2sccc21 ZINC000453080541 310256721 /nfs/dbraw/zinc/25/67/21/310256721.db2.gz BEEAQINNPVEDLQ-DJIMGWMZSA-N 2 2 349.544 3.219 10 0 EGAELP COc1cc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)cc(OC)c1 ZINC000459604961 310564020 /nfs/dbraw/zinc/56/40/20/310564020.db2.gz KZQWENLQBNHJIP-UHFFFAOYSA-N 2 2 337.423 3.026 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490559626 311145015 /nfs/dbraw/zinc/14/50/15/311145015.db2.gz WBOLFNWYFQIVMC-UHFFFAOYSA-N 2 2 340.471 3.116 10 0 EGAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057134 311162306 /nfs/dbraw/zinc/16/23/06/311162306.db2.gz DCNLELUQLCZPDG-PMACEKPBSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057134 311162308 /nfs/dbraw/zinc/16/23/08/311162308.db2.gz DCNLELUQLCZPDG-PMACEKPBSA-N 2 2 349.563 3.366 10 0 EGAELP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000491056293 311162465 /nfs/dbraw/zinc/16/24/65/311162465.db2.gz IVNFDTZICHFCKZ-LJQANCHMSA-N 2 2 349.563 3.366 10 0 EGAELP CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000491056293 311162466 /nfs/dbraw/zinc/16/24/66/311162466.db2.gz IVNFDTZICHFCKZ-LJQANCHMSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059149 311162664 /nfs/dbraw/zinc/16/26/64/311162664.db2.gz IDHSBZGJHYIKCH-HSALFYBXSA-N 2 2 349.563 3.079 10 0 EGAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059149 311162665 /nfs/dbraw/zinc/16/26/65/311162665.db2.gz IDHSBZGJHYIKCH-HSALFYBXSA-N 2 2 349.563 3.079 10 0 EGAELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1Cl ZINC000507793749 312082711 /nfs/dbraw/zinc/08/27/11/312082711.db2.gz KLOLSDIMWVLTNT-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1Cl ZINC000507793749 312082714 /nfs/dbraw/zinc/08/27/14/312082714.db2.gz KLOLSDIMWVLTNT-GOSISDBHSA-N 2 2 335.923 3.250 10 0 EGAELP Clc1ccc(OCC2CC2)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000515021275 312260563 /nfs/dbraw/zinc/26/05/63/312260563.db2.gz VJBHBWRUNWXKLX-OAHLLOKOSA-N 2 2 331.847 3.499 10 0 EGAELP Clc1ccc(OCC2CC2)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000515021275 312260565 /nfs/dbraw/zinc/26/05/65/312260565.db2.gz VJBHBWRUNWXKLX-OAHLLOKOSA-N 2 2 331.847 3.499 10 0 EGAELP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1F ZINC000527633083 312893372 /nfs/dbraw/zinc/89/33/72/312893372.db2.gz MBCJLRUXOCXXSR-UHFFFAOYSA-N 2 2 345.231 3.444 10 0 EGAELP OCc1ccc(F)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000528372674 313077237 /nfs/dbraw/zinc/07/72/37/313077237.db2.gz PXSJFTNZZRUCAU-GOSISDBHSA-N 2 2 334.479 3.406 10 0 EGAELP OCc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000528372674 313077239 /nfs/dbraw/zinc/07/72/39/313077239.db2.gz PXSJFTNZZRUCAU-GOSISDBHSA-N 2 2 334.479 3.406 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)cc1OC ZINC000529525638 313342873 /nfs/dbraw/zinc/34/28/73/313342873.db2.gz ZBDMHROOEJSHAE-CYBMUJFWSA-N 2 2 333.407 3.336 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)cc1OC ZINC000529525638 313342878 /nfs/dbraw/zinc/34/28/78/313342878.db2.gz ZBDMHROOEJSHAE-CYBMUJFWSA-N 2 2 333.407 3.336 10 0 EGAELP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)cc1OC ZINC000529525085 313343162 /nfs/dbraw/zinc/34/31/62/313343162.db2.gz CZQGUGDUCXUKER-UHFFFAOYSA-N 2 2 333.407 3.267 10 0 EGAELP COc1cccc(CCC[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000536162587 314097034 /nfs/dbraw/zinc/09/70/34/314097034.db2.gz IHYCKTQTDUCFOG-UHFFFAOYSA-N 2 2 325.456 3.153 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912237 314154036 /nfs/dbraw/zinc/15/40/36/314154036.db2.gz ZJEUENOREIKAPG-GUTXKFCHSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536912237 314154039 /nfs/dbraw/zinc/15/40/39/314154039.db2.gz ZJEUENOREIKAPG-GUTXKFCHSA-N 2 2 330.394 3.403 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049849 314291903 /nfs/dbraw/zinc/29/19/03/314291903.db2.gz SMNNBMFQMFNJRQ-YGRLFVJLSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049849 314291907 /nfs/dbraw/zinc/29/19/07/314291907.db2.gz SMNNBMFQMFNJRQ-YGRLFVJLSA-N 2 2 331.685 3.185 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)CCN(C)c3cc[nH+]cc3)ccc21 ZINC000556402224 315433218 /nfs/dbraw/zinc/43/32/18/315433218.db2.gz UROTVIOQHYGJJM-UHFFFAOYSA-N 2 2 349.438 3.161 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821359 316075330 /nfs/dbraw/zinc/07/53/30/316075330.db2.gz SKXMYAPHMGSKOT-RTUIKWQQSA-N 2 2 343.515 3.018 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000563821359 316075333 /nfs/dbraw/zinc/07/53/33/316075333.db2.gz SKXMYAPHMGSKOT-RTUIKWQQSA-N 2 2 343.515 3.018 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000574807805 317638193 /nfs/dbraw/zinc/63/81/93/317638193.db2.gz AJXZIRPYUSVDAQ-MRXNPFEDSA-N 2 2 335.245 3.018 10 0 EGAELP Brc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000252486321 455811231 /nfs/dbraw/zinc/81/12/31/455811231.db2.gz ILJLHSHKVOBISG-BNOWGMLFSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000252486321 455811233 /nfs/dbraw/zinc/81/12/33/455811233.db2.gz ILJLHSHKVOBISG-BNOWGMLFSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000252486321 455811238 /nfs/dbraw/zinc/81/12/38/455811238.db2.gz ILJLHSHKVOBISG-BNOWGMLFSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000252486321 455811244 /nfs/dbraw/zinc/81/12/44/455811244.db2.gz ILJLHSHKVOBISG-BNOWGMLFSA-N 2 2 341.318 3.427 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177287548 323338488 /nfs/dbraw/zinc/33/84/88/323338488.db2.gz XLALITNNKMHYQR-CZUORRHYSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177287548 323338494 /nfs/dbraw/zinc/33/84/94/323338494.db2.gz XLALITNNKMHYQR-CZUORRHYSA-N 2 2 341.293 3.211 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000580533733 325263830 /nfs/dbraw/zinc/26/38/30/325263830.db2.gz LIZYIBIGMSQDJO-KBUPBQIOSA-N 2 2 326.444 3.380 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000580533733 325263832 /nfs/dbraw/zinc/26/38/32/325263832.db2.gz LIZYIBIGMSQDJO-KBUPBQIOSA-N 2 2 326.444 3.380 10 0 EGAELP Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180665831 455222505 /nfs/dbraw/zinc/22/25/05/455222505.db2.gz LLKUYNLYYKQCKC-QGZVFWFLSA-N 2 2 348.450 3.148 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1 ZINC000180673128 455223679 /nfs/dbraw/zinc/22/36/79/455223679.db2.gz WBQLUXCMMJSFKD-IAGOWNOFSA-N 2 2 348.450 3.228 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC000631890043 460589303 /nfs/dbraw/zinc/58/93/03/460589303.db2.gz LXEIYDQOMDBMDO-TZIWHRDSSA-N 2 2 337.467 3.235 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC000631890043 460589306 /nfs/dbraw/zinc/58/93/06/460589306.db2.gz LXEIYDQOMDBMDO-TZIWHRDSSA-N 2 2 337.467 3.235 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511866 460590212 /nfs/dbraw/zinc/59/02/12/460590212.db2.gz JPMGDYNBYFPVTG-JSGCOSHPSA-N 2 2 346.393 3.081 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511866 460590217 /nfs/dbraw/zinc/59/02/17/460590217.db2.gz JPMGDYNBYFPVTG-JSGCOSHPSA-N 2 2 346.393 3.081 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679784 455354227 /nfs/dbraw/zinc/35/42/27/455354227.db2.gz IQBNEOWUVRWBKG-QYWQTSRKSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679784 455354229 /nfs/dbraw/zinc/35/42/29/455354229.db2.gz IQBNEOWUVRWBKG-QYWQTSRKSA-N 2 2 339.527 3.397 10 0 EGAELP Cc1cc(C)c(C(N)=O)c(NC[C@H](c2cccs2)[NH+]2CCCC2)[nH+]1 ZINC000012769018 453401279 /nfs/dbraw/zinc/40/12/79/453401279.db2.gz LKHMMWYTWLLJMY-CQSZACIVSA-N 2 2 344.484 3.108 10 0 EGAELP CCOC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000612399131 460618093 /nfs/dbraw/zinc/61/80/93/460618093.db2.gz NSOPPJIGQOLMAR-UHFFFAOYSA-N 2 2 333.457 3.099 10 0 EGAELP CCOC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000612399131 460618101 /nfs/dbraw/zinc/61/81/01/460618101.db2.gz NSOPPJIGQOLMAR-UHFFFAOYSA-N 2 2 333.457 3.099 10 0 EGAELP Cc1cccn2cc(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000605742857 460620288 /nfs/dbraw/zinc/62/02/88/460620288.db2.gz HQUUMEXKPZRGOC-SFHVURJKSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1cccn2cc(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000605742857 460620294 /nfs/dbraw/zinc/62/02/94/460620294.db2.gz HQUUMEXKPZRGOC-SFHVURJKSA-N 2 2 334.467 3.349 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000040672949 453954017 /nfs/dbraw/zinc/95/40/17/453954017.db2.gz SMRUJWXOVCPGCE-SMDDNHRTSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000040672949 453954019 /nfs/dbraw/zinc/95/40/19/453954019.db2.gz SMRUJWXOVCPGCE-SMDDNHRTSA-N 2 2 344.240 3.036 10 0 EGAELP COc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1 ZINC000042228210 454002415 /nfs/dbraw/zinc/00/24/15/454002415.db2.gz QZHBDJCOBAIEND-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000068388915 454022664 /nfs/dbraw/zinc/02/26/64/454022664.db2.gz HBWARQGPZBGRCM-QGZVFWFLSA-N 2 2 340.471 3.063 10 0 EGAELP Cc1cc(NCC[N@@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000057828112 454149277 /nfs/dbraw/zinc/14/92/77/454149277.db2.gz XIGAOFTUERGVOL-UHFFFAOYSA-N 2 2 333.439 3.391 10 0 EGAELP Cc1cc(NCC[N@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000057828112 454149281 /nfs/dbraw/zinc/14/92/81/454149281.db2.gz XIGAOFTUERGVOL-UHFFFAOYSA-N 2 2 333.439 3.391 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000090533266 454316979 /nfs/dbraw/zinc/31/69/79/454316979.db2.gz GRDHIWOFTLXPQG-KVSKMBFKSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000090533266 454316983 /nfs/dbraw/zinc/31/69/83/454316983.db2.gz GRDHIWOFTLXPQG-KVSKMBFKSA-N 2 2 326.488 3.292 10 0 EGAELP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143671 454461568 /nfs/dbraw/zinc/46/15/68/454461568.db2.gz FGNSSIXSSLGENU-GOSISDBHSA-N 2 2 335.451 3.018 10 0 EGAELP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143671 454461571 /nfs/dbraw/zinc/46/15/71/454461571.db2.gz FGNSSIXSSLGENU-GOSISDBHSA-N 2 2 335.451 3.018 10 0 EGAELP CN(C)c1cc[nH+]cc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121791330 454478108 /nfs/dbraw/zinc/47/81/08/454478108.db2.gz NJNNGFBRXAFIQV-OAQYLSRUSA-N 2 2 338.499 3.292 10 0 EGAELP CN(C)c1cc[nH+]cc1CNC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121791330 454478116 /nfs/dbraw/zinc/47/81/16/454478116.db2.gz NJNNGFBRXAFIQV-OAQYLSRUSA-N 2 2 338.499 3.292 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)[nH]1 ZINC000092073924 454517672 /nfs/dbraw/zinc/51/76/72/454517672.db2.gz MGBRNJSWNHWRMN-ZDUSSCGKSA-N 2 2 325.441 3.308 10 0 EGAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)[nH]1 ZINC000092073924 454517677 /nfs/dbraw/zinc/51/76/77/454517677.db2.gz MGBRNJSWNHWRMN-ZDUSSCGKSA-N 2 2 325.441 3.308 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134909258 454608144 /nfs/dbraw/zinc/60/81/44/454608144.db2.gz GSENMKABIWREDE-DNVCBOLYSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134909258 454608147 /nfs/dbraw/zinc/60/81/47/454608147.db2.gz GSENMKABIWREDE-DNVCBOLYSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134909258 454608153 /nfs/dbraw/zinc/60/81/53/454608153.db2.gz GSENMKABIWREDE-DNVCBOLYSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(OC)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134909258 454608158 /nfs/dbraw/zinc/60/81/58/454608158.db2.gz GSENMKABIWREDE-DNVCBOLYSA-N 2 2 330.472 3.153 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961116 454659615 /nfs/dbraw/zinc/65/96/15/454659615.db2.gz XLWOJKIEQZOAKI-MRXNPFEDSA-N 2 2 326.444 3.351 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961116 454659617 /nfs/dbraw/zinc/65/96/17/454659617.db2.gz XLWOJKIEQZOAKI-MRXNPFEDSA-N 2 2 326.444 3.351 10 0 EGAELP C[C@H](c1ccccc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863502 454661214 /nfs/dbraw/zinc/66/12/14/454661214.db2.gz WYNLYNWXWLNBCC-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@H](c1ccccc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863502 454661218 /nfs/dbraw/zinc/66/12/18/454661218.db2.gz WYNLYNWXWLNBCC-MRXNPFEDSA-N 2 2 330.451 3.180 10 0 EGAELP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875499 454661680 /nfs/dbraw/zinc/66/16/80/454661680.db2.gz HYPHCVVGSGCKAK-INIZCTEOSA-N 2 2 340.471 3.010 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863550 454662589 /nfs/dbraw/zinc/66/25/89/454662589.db2.gz OXSYEIPEEHFGHR-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863550 454662593 /nfs/dbraw/zinc/66/25/93/454662593.db2.gz OXSYEIPEEHFGHR-HNNXBMFYSA-N 2 2 348.441 3.319 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000080979960 454664823 /nfs/dbraw/zinc/66/48/23/454664823.db2.gz RSISSEZBCVMXKI-INIZCTEOSA-N 2 2 327.476 3.359 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000106216982 454687073 /nfs/dbraw/zinc/68/70/73/454687073.db2.gz BEAMNBDSGWUVNW-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000106216982 454687075 /nfs/dbraw/zinc/68/70/75/454687075.db2.gz BEAMNBDSGWUVNW-INIZCTEOSA-N 2 2 329.444 3.170 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000136090076 454719400 /nfs/dbraw/zinc/71/94/00/454719400.db2.gz IUPBWFKWFMTWNB-DYVFJYSZSA-N 2 2 347.846 3.486 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000136090076 454719404 /nfs/dbraw/zinc/71/94/04/454719404.db2.gz IUPBWFKWFMTWNB-DYVFJYSZSA-N 2 2 347.846 3.486 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000163353382 454842075 /nfs/dbraw/zinc/84/20/75/454842075.db2.gz HIUIAYHRDGKMDM-DZGCQCFKSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000163353382 454842077 /nfs/dbraw/zinc/84/20/77/454842077.db2.gz HIUIAYHRDGKMDM-DZGCQCFKSA-N 2 2 328.403 3.049 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154655909 454916196 /nfs/dbraw/zinc/91/61/96/454916196.db2.gz GKVMOPAUPYMRDC-AAEUAGOBSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154655909 454916199 /nfs/dbraw/zinc/91/61/99/454916199.db2.gz GKVMOPAUPYMRDC-AAEUAGOBSA-N 2 2 329.257 3.203 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1O ZINC000178010693 454926148 /nfs/dbraw/zinc/92/61/48/454926148.db2.gz XPEWUQWJOBRTRT-YJBOKZPZSA-N 2 2 326.440 3.153 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000178010693 454926153 /nfs/dbraw/zinc/92/61/53/454926153.db2.gz XPEWUQWJOBRTRT-YJBOKZPZSA-N 2 2 326.440 3.153 10 0 EGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000154932314 454944417 /nfs/dbraw/zinc/94/44/17/454944417.db2.gz KAHQDZZXWMRFRG-IRXDYDNUSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000154932314 454944418 /nfs/dbraw/zinc/94/44/18/454944418.db2.gz KAHQDZZXWMRFRG-IRXDYDNUSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000154932314 454944419 /nfs/dbraw/zinc/94/44/19/454944419.db2.gz KAHQDZZXWMRFRG-IRXDYDNUSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000154932314 454944420 /nfs/dbraw/zinc/94/44/20/454944420.db2.gz KAHQDZZXWMRFRG-IRXDYDNUSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000151343605 454972440 /nfs/dbraw/zinc/97/24/40/454972440.db2.gz HAQREFXFTAHPNQ-ZFWWWQNUSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000178754590 454972811 /nfs/dbraw/zinc/97/28/11/454972811.db2.gz GIUUUTVZOVLYRK-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000178754590 454972813 /nfs/dbraw/zinc/97/28/13/454972813.db2.gz GIUUUTVZOVLYRK-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152437959 455119334 /nfs/dbraw/zinc/11/93/34/455119334.db2.gz DFOOBDVBCXADJF-KZNAEPCWSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152437959 455119335 /nfs/dbraw/zinc/11/93/35/455119335.db2.gz DFOOBDVBCXADJF-KZNAEPCWSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152437959 455119339 /nfs/dbraw/zinc/11/93/39/455119339.db2.gz DFOOBDVBCXADJF-KZNAEPCWSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152437959 455119341 /nfs/dbraw/zinc/11/93/41/455119341.db2.gz DFOOBDVBCXADJF-KZNAEPCWSA-N 2 2 343.515 3.016 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000180102695 455133112 /nfs/dbraw/zinc/13/31/12/455133112.db2.gz NTAZQTCKVYRAGA-PMACEKPBSA-N 2 2 346.434 3.048 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000180102695 455133114 /nfs/dbraw/zinc/13/31/14/455133114.db2.gz NTAZQTCKVYRAGA-PMACEKPBSA-N 2 2 346.434 3.048 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156557680 455133145 /nfs/dbraw/zinc/13/31/45/455133145.db2.gz GWGURZXQQAPCDB-HKUYNNGSSA-N 2 2 340.471 3.208 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156557680 455133146 /nfs/dbraw/zinc/13/31/46/455133146.db2.gz GWGURZXQQAPCDB-HKUYNNGSSA-N 2 2 340.471 3.208 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415210 455165423 /nfs/dbraw/zinc/16/54/23/455165423.db2.gz RFCXGZNWEKWERE-UKRRQHHQSA-N 2 2 332.517 3.435 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415210 455165425 /nfs/dbraw/zinc/16/54/25/455165425.db2.gz RFCXGZNWEKWERE-UKRRQHHQSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415210 455165427 /nfs/dbraw/zinc/16/54/27/455165427.db2.gz RFCXGZNWEKWERE-UKRRQHHQSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415210 455165429 /nfs/dbraw/zinc/16/54/29/455165429.db2.gz RFCXGZNWEKWERE-UKRRQHHQSA-N 2 2 332.517 3.435 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000245415291 455291678 /nfs/dbraw/zinc/29/16/78/455291678.db2.gz DDFMTYWTWMXVBB-LMNJBCLMSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000245415291 455291683 /nfs/dbraw/zinc/29/16/83/455291683.db2.gz DDFMTYWTWMXVBB-LMNJBCLMSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000245415291 455291687 /nfs/dbraw/zinc/29/16/87/455291687.db2.gz DDFMTYWTWMXVBB-LMNJBCLMSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000245415291 455291690 /nfs/dbraw/zinc/29/16/90/455291690.db2.gz DDFMTYWTWMXVBB-LMNJBCLMSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429410 455297179 /nfs/dbraw/zinc/29/71/79/455297179.db2.gz NCMLIWAIOZLXLG-KSSFIOAISA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429410 455297181 /nfs/dbraw/zinc/29/71/81/455297181.db2.gz NCMLIWAIOZLXLG-KSSFIOAISA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@@H](C)C1 ZINC000245429410 455297182 /nfs/dbraw/zinc/29/71/82/455297182.db2.gz NCMLIWAIOZLXLG-KSSFIOAISA-N 2 2 327.472 3.321 10 0 EGAELP O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000245856499 455385837 /nfs/dbraw/zinc/38/58/37/455385837.db2.gz NOYUNUBOSUCAOD-GDBMZVCRSA-N 2 2 327.453 3.484 10 0 EGAELP O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000245856499 455385841 /nfs/dbraw/zinc/38/58/41/455385841.db2.gz NOYUNUBOSUCAOD-GDBMZVCRSA-N 2 2 327.453 3.484 10 0 EGAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000181948407 455402799 /nfs/dbraw/zinc/40/27/99/455402799.db2.gz NHPOSPYAWFULOQ-OAHLLOKOSA-N 2 2 338.455 3.360 10 0 EGAELP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068107 455436446 /nfs/dbraw/zinc/43/64/46/455436446.db2.gz QDJDGJMUERACSO-QUCCMNQESA-N 2 2 330.520 3.272 10 0 EGAELP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068107 455436451 /nfs/dbraw/zinc/43/64/51/455436451.db2.gz QDJDGJMUERACSO-QUCCMNQESA-N 2 2 330.520 3.272 10 0 EGAELP COc1c(C)cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246573695 455509628 /nfs/dbraw/zinc/50/96/28/455509628.db2.gz LLUPODXJSQCLCY-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246573695 455509631 /nfs/dbraw/zinc/50/96/31/455509631.db2.gz LLUPODXJSQCLCY-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246573695 455509636 /nfs/dbraw/zinc/50/96/36/455509636.db2.gz LLUPODXJSQCLCY-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246573695 455509639 /nfs/dbraw/zinc/50/96/39/455509639.db2.gz LLUPODXJSQCLCY-LPHOPBHVSA-N 2 2 329.488 3.156 10 0 EGAELP c1n[nH]cc1[C@@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246881375 455533882 /nfs/dbraw/zinc/53/38/82/455533882.db2.gz FYMIWAUPCLKFKX-OALUTQOASA-N 2 2 342.491 3.277 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000192055547 455549666 /nfs/dbraw/zinc/54/96/66/455549666.db2.gz DDTIDNFCNHQUEP-OAHLLOKOSA-N 2 2 329.444 3.343 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000192055547 455549671 /nfs/dbraw/zinc/54/96/71/455549671.db2.gz DDTIDNFCNHQUEP-OAHLLOKOSA-N 2 2 329.444 3.343 10 0 EGAELP C[C@H](c1ccccc1Cl)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182669593 455564562 /nfs/dbraw/zinc/56/45/62/455564562.db2.gz WSMOCSDESGLSFS-MRXNPFEDSA-N 2 2 332.879 3.305 10 0 EGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247210879 455573655 /nfs/dbraw/zinc/57/36/55/455573655.db2.gz WXWWYHNGQAESDE-DOTOQJQBSA-N 2 2 341.459 3.143 10 0 EGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247210879 455573659 /nfs/dbraw/zinc/57/36/59/455573659.db2.gz WXWWYHNGQAESDE-DOTOQJQBSA-N 2 2 341.459 3.143 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185596598 455583414 /nfs/dbraw/zinc/58/34/14/455583414.db2.gz VXGUTBPRMFCFSZ-LWYYNNOASA-N 2 2 349.563 3.074 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185596598 455583416 /nfs/dbraw/zinc/58/34/16/455583416.db2.gz VXGUTBPRMFCFSZ-LWYYNNOASA-N 2 2 349.563 3.074 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301620 455585268 /nfs/dbraw/zinc/58/52/68/455585268.db2.gz ZRVPNHQSROQERQ-MAUKXSAKSA-N 2 2 328.435 3.132 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301620 455585269 /nfs/dbraw/zinc/58/52/69/455585269.db2.gz ZRVPNHQSROQERQ-MAUKXSAKSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301620 455585270 /nfs/dbraw/zinc/58/52/70/455585270.db2.gz ZRVPNHQSROQERQ-MAUKXSAKSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301620 455585271 /nfs/dbraw/zinc/58/52/71/455585271.db2.gz ZRVPNHQSROQERQ-MAUKXSAKSA-N 2 2 328.435 3.132 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245453 455607163 /nfs/dbraw/zinc/60/71/63/455607163.db2.gz XFFMZIATKDLWRR-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)ccc1F ZINC000292245453 455607166 /nfs/dbraw/zinc/60/71/66/455607166.db2.gz XFFMZIATKDLWRR-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245453 455607170 /nfs/dbraw/zinc/60/71/70/455607170.db2.gz XFFMZIATKDLWRR-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)ccc1F ZINC000292245453 455607172 /nfs/dbraw/zinc/60/71/72/455607172.db2.gz XFFMZIATKDLWRR-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247637287 455631519 /nfs/dbraw/zinc/63/15/19/455631519.db2.gz OFKYYHBCIYKHCY-QWHCGFSZSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247637287 455631523 /nfs/dbraw/zinc/63/15/23/455631523.db2.gz OFKYYHBCIYKHCY-QWHCGFSZSA-N 2 2 329.429 3.078 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434474 455662509 /nfs/dbraw/zinc/66/25/09/455662509.db2.gz MMKVYDHOGCQOHV-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434474 455662511 /nfs/dbraw/zinc/66/25/11/455662511.db2.gz MMKVYDHOGCQOHV-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434474 455662515 /nfs/dbraw/zinc/66/25/15/455662515.db2.gz MMKVYDHOGCQOHV-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434474 455662520 /nfs/dbraw/zinc/66/25/20/455662520.db2.gz MMKVYDHOGCQOHV-FPOVZHCZSA-N 2 2 336.483 3.272 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCOCC2 ZINC000186280341 455733534 /nfs/dbraw/zinc/73/35/34/455733534.db2.gz KMOWCZVQMBAGLR-QZTJIDSGSA-N 2 2 343.471 3.059 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1F ZINC000249458598 455757152 /nfs/dbraw/zinc/75/71/52/455757152.db2.gz YTRHUSUVBXNOQN-MAUKXSAKSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1F ZINC000249458598 455757154 /nfs/dbraw/zinc/75/71/54/455757154.db2.gz YTRHUSUVBXNOQN-MAUKXSAKSA-N 2 2 343.446 3.230 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581163 460700125 /nfs/dbraw/zinc/70/01/25/460700125.db2.gz SNJJHXCRGOCPJM-YJBOKZPZSA-N 2 2 349.438 3.291 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581163 460700129 /nfs/dbraw/zinc/70/01/29/460700129.db2.gz SNJJHXCRGOCPJM-YJBOKZPZSA-N 2 2 349.438 3.291 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000195516145 455976357 /nfs/dbraw/zinc/97/63/57/455976357.db2.gz GAKWRQYJMSIDHU-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000195516145 455976363 /nfs/dbraw/zinc/97/63/63/455976363.db2.gz GAKWRQYJMSIDHU-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP C[C@@H]1CCCN(c2cc(N3CCC(C[NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000301388320 456106273 /nfs/dbraw/zinc/10/62/73/456106273.db2.gz YKSZCIUIICIQPW-QGZVFWFLSA-N 2 2 343.519 3.025 10 0 EGAELP C[C@@H]1CCCN(c2cc(N3CCC(C[NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000301388320 456106277 /nfs/dbraw/zinc/10/62/77/456106277.db2.gz YKSZCIUIICIQPW-QGZVFWFLSA-N 2 2 343.519 3.025 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)[nH]1 ZINC000271134576 456137234 /nfs/dbraw/zinc/13/72/34/456137234.db2.gz BVECUHJZRGQOBZ-UHFFFAOYSA-N 2 2 335.411 3.372 10 0 EGAELP CCOc1c(OC)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000271211890 456175170 /nfs/dbraw/zinc/17/51/70/456175170.db2.gz VMNMDAUBZFXKJO-UHFFFAOYSA-N 2 2 345.443 3.205 10 0 EGAELP CCOc1cc(C[N@@H+](C)CCc2c[nH+]cn2C)ccc1OC(F)F ZINC000290141092 456250394 /nfs/dbraw/zinc/25/03/94/456250394.db2.gz VUCBARUCNPNJMW-UHFFFAOYSA-N 2 2 339.386 3.095 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000290216715 456268818 /nfs/dbraw/zinc/26/88/18/456268818.db2.gz QMAXHIJBMLCFOJ-YESZJQIVSA-N 2 2 342.512 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000290216715 456268821 /nfs/dbraw/zinc/26/88/21/456268821.db2.gz QMAXHIJBMLCFOJ-YESZJQIVSA-N 2 2 342.512 3.101 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CCC1)CC3 ZINC000275673571 456282479 /nfs/dbraw/zinc/28/24/79/456282479.db2.gz HJSMYXFDPOFQOK-CQSZACIVSA-N 2 2 327.472 3.108 10 0 EGAELP Cc1nc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302089292 456285213 /nfs/dbraw/zinc/28/52/13/456285213.db2.gz LMCQFMTYPPPLPO-SFHVURJKSA-N 2 2 336.483 3.422 10 0 EGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281754335 456311059 /nfs/dbraw/zinc/31/10/59/456311059.db2.gz CDLGWPPXVDYIAS-HNNXBMFYSA-N 2 2 335.455 3.490 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933154 456367120 /nfs/dbraw/zinc/36/71/20/456367120.db2.gz BBQRAMCHIYSHCW-SJLPKXTDSA-N 2 2 341.503 3.033 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933154 456367127 /nfs/dbraw/zinc/36/71/27/456367127.db2.gz BBQRAMCHIYSHCW-SJLPKXTDSA-N 2 2 341.503 3.033 10 0 EGAELP CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956909 456372148 /nfs/dbraw/zinc/37/21/48/456372148.db2.gz FWBNCTVDBIBQND-ZIAGYGMSSA-N 2 2 329.448 3.105 10 0 EGAELP CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956909 456372153 /nfs/dbraw/zinc/37/21/53/456372153.db2.gz FWBNCTVDBIBQND-ZIAGYGMSSA-N 2 2 329.448 3.105 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n2c1CCCC2 ZINC000282111915 456416567 /nfs/dbraw/zinc/41/65/67/456416567.db2.gz PZWFZKZLNCEDNF-QGZVFWFLSA-N 2 2 325.456 3.478 10 0 EGAELP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000348074552 456458254 /nfs/dbraw/zinc/45/82/54/456458254.db2.gz MCRRHZJBZPHQIS-JKSUJKDBSA-N 2 2 339.361 3.131 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000353106210 456491794 /nfs/dbraw/zinc/49/17/94/456491794.db2.gz BKDWCRCYWNVKON-LJQANCHMSA-N 2 2 337.423 3.040 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)ccc2[nH+]1 ZINC000276476320 456493404 /nfs/dbraw/zinc/49/34/04/456493404.db2.gz ZNOZGEWENBYOPD-PKOBYXMFSA-N 2 2 349.438 3.210 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777248 462262684 /nfs/dbraw/zinc/26/26/84/462262684.db2.gz OCUPSPKPSAEXKW-DOTOQJQBSA-N 2 2 338.442 3.037 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777248 462262689 /nfs/dbraw/zinc/26/26/89/462262689.db2.gz OCUPSPKPSAEXKW-DOTOQJQBSA-N 2 2 338.442 3.037 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000353236982 456577576 /nfs/dbraw/zinc/57/75/76/456577576.db2.gz DWJRWWHTLZYBJG-OAHLLOKOSA-N 2 2 337.423 3.496 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032871 456578343 /nfs/dbraw/zinc/57/83/43/456578343.db2.gz YRDFYWNKJBCMFL-CVEARBPZSA-N 2 2 327.513 3.144 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032871 456578348 /nfs/dbraw/zinc/57/83/48/456578348.db2.gz YRDFYWNKJBCMFL-CVEARBPZSA-N 2 2 327.513 3.144 10 0 EGAELP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660103 456837131 /nfs/dbraw/zinc/83/71/31/456837131.db2.gz LIMAISLKRYXVLO-ROUUACIJSA-N 2 2 349.910 3.383 10 0 EGAELP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](CC)Cn1cncn1)c1ccc(Cl)cc1 ZINC000353660103 456837135 /nfs/dbraw/zinc/83/71/35/456837135.db2.gz LIMAISLKRYXVLO-ROUUACIJSA-N 2 2 349.910 3.383 10 0 EGAELP Cc1ccc(SCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000353672530 456845387 /nfs/dbraw/zinc/84/53/87/456845387.db2.gz WXFMPONFGGVAIU-UHFFFAOYSA-N 2 2 342.512 3.316 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C2 ZINC000353674124 456846863 /nfs/dbraw/zinc/84/68/63/456846863.db2.gz HPDYTHFUXCFSAS-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C2 ZINC000353674124 456846870 /nfs/dbraw/zinc/84/68/70/456846870.db2.gz HPDYTHFUXCFSAS-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000353674124 456846875 /nfs/dbraw/zinc/84/68/75/456846875.db2.gz HPDYTHFUXCFSAS-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000353674124 456846881 /nfs/dbraw/zinc/84/68/81/456846881.db2.gz HPDYTHFUXCFSAS-HZPDHXFCSA-N 2 2 346.519 3.019 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000344960827 456879334 /nfs/dbraw/zinc/87/93/34/456879334.db2.gz FIPGIOVVRYYIMD-LPHOPBHVSA-N 2 2 325.456 3.058 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000344960827 456879339 /nfs/dbraw/zinc/87/93/39/456879339.db2.gz FIPGIOVVRYYIMD-LPHOPBHVSA-N 2 2 325.456 3.058 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H](C)c2ncc(Br)cn2)c[nH+]1 ZINC000353902540 456959454 /nfs/dbraw/zinc/95/94/54/456959454.db2.gz TZXDAUNANFCCLI-LBPRGKRZSA-N 2 2 335.249 3.226 10 0 EGAELP Cc1cn2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2[nH+]1 ZINC000339277069 457036444 /nfs/dbraw/zinc/03/64/44/457036444.db2.gz WZLIQBLKHINZKG-UHFFFAOYSA-N 2 2 331.379 3.140 10 0 EGAELP CC(C)n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000342116108 457116963 /nfs/dbraw/zinc/11/69/63/457116963.db2.gz FPLAYBKVBNKRRN-UHFFFAOYSA-N 2 2 327.476 3.135 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c[nH+]1 ZINC000354502619 457260499 /nfs/dbraw/zinc/26/04/99/457260499.db2.gz NLEAYSBKQCPNLC-MRXNPFEDSA-N 2 2 331.410 3.469 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000363319861 457292172 /nfs/dbraw/zinc/29/21/72/457292172.db2.gz RAASYYIHYDVHLS-QGZVFWFLSA-N 2 2 349.523 3.055 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)CC(C)C ZINC000363319861 457292175 /nfs/dbraw/zinc/29/21/75/457292175.db2.gz RAASYYIHYDVHLS-QGZVFWFLSA-N 2 2 349.523 3.055 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214316 457524979 /nfs/dbraw/zinc/52/49/79/457524979.db2.gz XHMMZVVTFZQTKR-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000374230423 457533845 /nfs/dbraw/zinc/53/38/45/457533845.db2.gz NBYAYNXSHOQCPQ-SFHVURJKSA-N 2 2 341.430 3.475 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000342803128 457535271 /nfs/dbraw/zinc/53/52/71/457535271.db2.gz UZIWSYUFWKNTOA-OAHLLOKOSA-N 2 2 336.451 3.202 10 0 EGAELP CCC(=O)N1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000425508516 457581888 /nfs/dbraw/zinc/58/18/88/457581888.db2.gz GZGYKRVQPPJFIF-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP CCC(=O)N1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000425508516 457581894 /nfs/dbraw/zinc/58/18/94/457581894.db2.gz GZGYKRVQPPJFIF-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP CCOC(=O)CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374319966 457583548 /nfs/dbraw/zinc/58/35/48/457583548.db2.gz DGVCOHAPLTVDCX-MRXNPFEDSA-N 2 2 333.476 3.132 10 0 EGAELP CCOC(=O)CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374319966 457583552 /nfs/dbraw/zinc/58/35/52/457583552.db2.gz DGVCOHAPLTVDCX-MRXNPFEDSA-N 2 2 333.476 3.132 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000370308709 457614692 /nfs/dbraw/zinc/61/46/92/457614692.db2.gz OYINIBUOLOVDAZ-FXAWDEMLSA-N 2 2 344.478 3.464 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000370308709 457614696 /nfs/dbraw/zinc/61/46/96/457614696.db2.gz OYINIBUOLOVDAZ-FXAWDEMLSA-N 2 2 344.478 3.464 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000370308709 457614701 /nfs/dbraw/zinc/61/47/01/457614701.db2.gz OYINIBUOLOVDAZ-FXAWDEMLSA-N 2 2 344.478 3.464 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000370308709 457614706 /nfs/dbraw/zinc/61/47/06/457614706.db2.gz OYINIBUOLOVDAZ-FXAWDEMLSA-N 2 2 344.478 3.464 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000361286358 457679276 /nfs/dbraw/zinc/67/92/76/457679276.db2.gz GSIPIZHZRIGIDR-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000361286358 457679277 /nfs/dbraw/zinc/67/92/77/457679277.db2.gz GSIPIZHZRIGIDR-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)cn2)c[nH+]1 ZINC000364720725 457680735 /nfs/dbraw/zinc/68/07/35/457680735.db2.gz IALBSBDMCSRGGW-GOSISDBHSA-N 2 2 326.444 3.048 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)cn2)c[nH+]1 ZINC000364720725 457680736 /nfs/dbraw/zinc/68/07/36/457680736.db2.gz IALBSBDMCSRGGW-GOSISDBHSA-N 2 2 326.444 3.048 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000361319567 457691596 /nfs/dbraw/zinc/69/15/96/457691596.db2.gz WHKBONYFYGFGQO-DXMSMQRWSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000361319567 457691598 /nfs/dbraw/zinc/69/15/98/457691598.db2.gz WHKBONYFYGFGQO-DXMSMQRWSA-N 2 2 347.528 3.356 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000358088887 457779006 /nfs/dbraw/zinc/77/90/06/457779006.db2.gz REJMGMJNNNSHJO-QFBILLFUSA-N 2 2 340.467 3.314 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000358088887 457779016 /nfs/dbraw/zinc/77/90/16/457779016.db2.gz REJMGMJNNNSHJO-QFBILLFUSA-N 2 2 340.467 3.314 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](=O)C(C)(C)C ZINC000371211970 457828750 /nfs/dbraw/zinc/82/87/50/457828750.db2.gz FSROEQJFPBAQQQ-QSAZIKIQSA-N 2 2 336.545 3.034 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](=O)C(C)(C)C ZINC000371211970 457828756 /nfs/dbraw/zinc/82/87/56/457828756.db2.gz FSROEQJFPBAQQQ-QSAZIKIQSA-N 2 2 336.545 3.034 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372729 457961479 /nfs/dbraw/zinc/96/14/79/457961479.db2.gz XAMRMSZOPLRPDU-AKHDSKFASA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372729 457961488 /nfs/dbraw/zinc/96/14/88/457961488.db2.gz XAMRMSZOPLRPDU-AKHDSKFASA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372729 457961493 /nfs/dbraw/zinc/96/14/93/457961493.db2.gz XAMRMSZOPLRPDU-AKHDSKFASA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372729 457961501 /nfs/dbraw/zinc/96/15/01/457961501.db2.gz XAMRMSZOPLRPDU-AKHDSKFASA-N 2 2 333.907 3.302 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103467 458009506 /nfs/dbraw/zinc/00/95/06/458009506.db2.gz VXTZWWUMKQIMDS-GJZGRUSLSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103467 458009511 /nfs/dbraw/zinc/00/95/11/458009511.db2.gz VXTZWWUMKQIMDS-GJZGRUSLSA-N 2 2 340.471 3.397 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398498 458152228 /nfs/dbraw/zinc/15/22/28/458152228.db2.gz RMADXKPISPANLY-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398498 458152229 /nfs/dbraw/zinc/15/22/29/458152229.db2.gz RMADXKPISPANLY-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398498 458152233 /nfs/dbraw/zinc/15/22/33/458152233.db2.gz RMADXKPISPANLY-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398498 458152236 /nfs/dbraw/zinc/15/22/36/458152236.db2.gz RMADXKPISPANLY-QUCCMNQESA-N 2 2 345.531 3.086 10 0 EGAELP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OC(F)F ZINC000369535675 458253100 /nfs/dbraw/zinc/25/31/00/458253100.db2.gz BTUJXKGVPNALRY-UHFFFAOYSA-N 2 2 340.414 3.403 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814370 458374263 /nfs/dbraw/zinc/37/42/63/458374263.db2.gz ZORHJIUYXZZIPO-PAQOUXTFSA-N 2 2 349.563 3.218 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814370 458374268 /nfs/dbraw/zinc/37/42/68/458374268.db2.gz ZORHJIUYXZZIPO-PAQOUXTFSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814370 458374270 /nfs/dbraw/zinc/37/42/70/458374270.db2.gz ZORHJIUYXZZIPO-PAQOUXTFSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814370 458374273 /nfs/dbraw/zinc/37/42/73/458374273.db2.gz ZORHJIUYXZZIPO-PAQOUXTFSA-N 2 2 349.563 3.218 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423465726 458436812 /nfs/dbraw/zinc/43/68/12/458436812.db2.gz NBFFEHYLVDFHKK-FIXISWKDSA-N 2 2 329.282 3.480 10 0 EGAELP Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000424164921 458575444 /nfs/dbraw/zinc/57/54/44/458575444.db2.gz FGGDPTNPZKRNNS-UHFFFAOYSA-N 2 2 343.475 3.275 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030345 458664567 /nfs/dbraw/zinc/66/45/67/458664567.db2.gz SVXSXQXQPNXXLS-ZWKOTPCHSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC000530030345 458664571 /nfs/dbraw/zinc/66/45/71/458664571.db2.gz SVXSXQXQPNXXLS-ZWKOTPCHSA-N 2 2 349.906 3.076 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000471219924 458684851 /nfs/dbraw/zinc/68/48/51/458684851.db2.gz UNVSXOVTASZIAW-ZWKOTPCHSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000471219924 458684855 /nfs/dbraw/zinc/68/48/55/458684855.db2.gz UNVSXOVTASZIAW-ZWKOTPCHSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000471219924 458684861 /nfs/dbraw/zinc/68/48/61/458684861.db2.gz UNVSXOVTASZIAW-ZWKOTPCHSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000471219924 458684865 /nfs/dbraw/zinc/68/48/65/458684865.db2.gz UNVSXOVTASZIAW-ZWKOTPCHSA-N 2 2 325.541 3.077 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(-c3ccccc3)n2)CCCO1 ZINC000432344208 458720270 /nfs/dbraw/zinc/72/02/70/458720270.db2.gz CGNMIROSCMNBHE-MRXNPFEDSA-N 2 2 345.512 3.401 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(-c3ccccc3)n2)CCCO1 ZINC000432344208 458720277 /nfs/dbraw/zinc/72/02/77/458720277.db2.gz CGNMIROSCMNBHE-MRXNPFEDSA-N 2 2 345.512 3.401 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000530221035 458721705 /nfs/dbraw/zinc/72/17/05/458721705.db2.gz WCGSJBZRVVEJRM-IRUJWGPZSA-N 2 2 345.231 3.287 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000530221035 458721708 /nfs/dbraw/zinc/72/17/08/458721708.db2.gz WCGSJBZRVVEJRM-IRUJWGPZSA-N 2 2 345.231 3.287 10 0 EGAELP C[N@H+](Cc1ccc(Br)c(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000530219749 458722297 /nfs/dbraw/zinc/72/22/97/458722297.db2.gz QFXOYDSZDVLOTG-LLVKDONJSA-N 2 2 333.220 3.301 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000530219749 458722300 /nfs/dbraw/zinc/72/23/00/458722300.db2.gz QFXOYDSZDVLOTG-LLVKDONJSA-N 2 2 333.220 3.301 10 0 EGAELP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)c2cccs2)CC1 ZINC000494872866 458759733 /nfs/dbraw/zinc/75/97/33/458759733.db2.gz HZMUSAVUCDAOGH-DOTOQJQBSA-N 2 2 349.544 3.168 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000494926070 458765958 /nfs/dbraw/zinc/76/59/58/458765958.db2.gz WCQIEVHBKZZSSF-SFHLNBCPSA-N 2 2 329.532 3.219 10 0 EGAELP C[NH+](C)Cc1ccsc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531523965 458929476 /nfs/dbraw/zinc/92/94/76/458929476.db2.gz KYFWBCNTAHYBCO-UHFFFAOYSA-N 2 2 348.859 3.041 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609606 459060559 /nfs/dbraw/zinc/06/05/59/459060559.db2.gz DUOHKAZSFGMXNK-MSOLQXFVSA-N 3 2 336.483 3.054 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609606 459060564 /nfs/dbraw/zinc/06/05/64/459060564.db2.gz DUOHKAZSFGMXNK-MSOLQXFVSA-N 3 2 336.483 3.054 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000594505334 459066749 /nfs/dbraw/zinc/06/67/49/459066749.db2.gz RMKHRLKTLXKVII-GOSISDBHSA-N 2 2 327.428 3.117 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996529 459072645 /nfs/dbraw/zinc/07/26/45/459072645.db2.gz HLAXUIWLPMKZPQ-XHDPSFHLSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996529 459072650 /nfs/dbraw/zinc/07/26/50/459072650.db2.gz HLAXUIWLPMKZPQ-XHDPSFHLSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205679 459080604 /nfs/dbraw/zinc/08/06/04/459080604.db2.gz LELXVUHRQVBRQE-XHBSWPGZSA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205679 459080612 /nfs/dbraw/zinc/08/06/12/459080612.db2.gz LELXVUHRQVBRQE-XHBSWPGZSA-N 2 2 328.287 3.112 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000567381834 459097553 /nfs/dbraw/zinc/09/75/53/459097553.db2.gz NBBPYDXCWTUHKZ-BLWBWXFKSA-N 2 2 326.444 3.273 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000567381834 459097556 /nfs/dbraw/zinc/09/75/56/459097556.db2.gz NBBPYDXCWTUHKZ-BLWBWXFKSA-N 2 2 326.444 3.273 10 0 EGAELP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000568238180 459255121 /nfs/dbraw/zinc/25/51/21/459255121.db2.gz OYTDNWMTLFLVME-KRWDZBQOSA-N 2 2 338.411 3.236 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255979 459299918 /nfs/dbraw/zinc/29/99/18/459299918.db2.gz GHNWIIBBROTUBP-IEBWSBKVSA-N 2 2 334.504 3.483 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255979 459299921 /nfs/dbraw/zinc/29/99/21/459299921.db2.gz GHNWIIBBROTUBP-IEBWSBKVSA-N 2 2 334.504 3.483 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)o1 ZINC000524155873 459347670 /nfs/dbraw/zinc/34/76/70/459347670.db2.gz BNPICACMSMDCSP-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)o1 ZINC000524155873 459347674 /nfs/dbraw/zinc/34/76/74/459347674.db2.gz BNPICACMSMDCSP-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595610535 459365102 /nfs/dbraw/zinc/36/51/02/459365102.db2.gz DTBSKXONDVTVAG-GOSISDBHSA-N 2 2 341.455 3.133 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595610535 459365107 /nfs/dbraw/zinc/36/51/07/459365107.db2.gz DTBSKXONDVTVAG-GOSISDBHSA-N 2 2 341.455 3.133 10 0 EGAELP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569254740 459422520 /nfs/dbraw/zinc/42/25/20/459422520.db2.gz FOGVGPORHGZJPQ-GXTWGEPZSA-N 2 2 342.424 3.407 10 0 EGAELP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569254740 459422523 /nfs/dbraw/zinc/42/25/23/459422523.db2.gz FOGVGPORHGZJPQ-GXTWGEPZSA-N 2 2 342.424 3.407 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccncc23)[C@H]1c1ccc(F)c(F)c1 ZINC000485976380 459483350 /nfs/dbraw/zinc/48/33/50/459483350.db2.gz JGUNIWTZVTYJMY-RTBURBONSA-N 2 2 340.377 3.187 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc[nH+]c3ccncc23)[C@H]1c1ccc(F)c(F)c1 ZINC000485976380 459483356 /nfs/dbraw/zinc/48/33/56/459483356.db2.gz JGUNIWTZVTYJMY-RTBURBONSA-N 2 2 340.377 3.187 10 0 EGAELP C[C@@H]([C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000543086291 459623951 /nfs/dbraw/zinc/62/39/51/459623951.db2.gz AZUUCXLWVPIZRR-XYJFISCASA-N 2 2 346.519 3.106 10 0 EGAELP C[C@@H](O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000543397479 459653257 /nfs/dbraw/zinc/65/32/57/459653257.db2.gz PBPDBQWCCKJFMA-OAHLLOKOSA-N 2 2 327.453 3.317 10 0 EGAELP C[C@@H](O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000543397479 459653263 /nfs/dbraw/zinc/65/32/63/459653263.db2.gz PBPDBQWCCKJFMA-OAHLLOKOSA-N 2 2 327.453 3.317 10 0 EGAELP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000527792460 459737201 /nfs/dbraw/zinc/73/72/01/459737201.db2.gz AHZZYIJZUKGGST-LPHOPBHVSA-N 2 2 325.456 3.058 10 0 EGAELP COc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000527792460 459737204 /nfs/dbraw/zinc/73/72/04/459737204.db2.gz AHZZYIJZUKGGST-LPHOPBHVSA-N 2 2 325.456 3.058 10 0 EGAELP c1cnc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC000527808109 459743005 /nfs/dbraw/zinc/74/30/05/459743005.db2.gz QEZBNOGXIRTRJS-SFHVURJKSA-N 2 2 338.455 3.375 10 0 EGAELP c1cnc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC000527808109 459743013 /nfs/dbraw/zinc/74/30/13/459743013.db2.gz QEZBNOGXIRTRJS-SFHVURJKSA-N 2 2 338.455 3.375 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000544352725 459750505 /nfs/dbraw/zinc/75/05/05/459750505.db2.gz JWVIHYKNIUZFJC-OAQYLSRUSA-N 2 2 348.450 3.458 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000544352725 459750511 /nfs/dbraw/zinc/75/05/11/459750511.db2.gz JWVIHYKNIUZFJC-OAQYLSRUSA-N 2 2 348.450 3.458 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008406 459794595 /nfs/dbraw/zinc/79/45/95/459794595.db2.gz DNGMTLHZSQZKOC-KBXCAEBGSA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008406 459794599 /nfs/dbraw/zinc/79/45/99/459794599.db2.gz DNGMTLHZSQZKOC-KBXCAEBGSA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008409 459794706 /nfs/dbraw/zinc/79/47/06/459794706.db2.gz DNGMTLHZSQZKOC-RDTXWAMCSA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008409 459794710 /nfs/dbraw/zinc/79/47/10/459794710.db2.gz DNGMTLHZSQZKOC-RDTXWAMCSA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528010114 459795757 /nfs/dbraw/zinc/79/57/57/459795757.db2.gz IJALSSNXIVCUKA-MAUKXSAKSA-N 2 2 332.488 3.241 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000528010114 459795762 /nfs/dbraw/zinc/79/57/62/459795762.db2.gz IJALSSNXIVCUKA-MAUKXSAKSA-N 2 2 332.488 3.241 10 0 EGAELP c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n(CCc2ccccc2)n1 ZINC000621716706 460022240 /nfs/dbraw/zinc/02/22/40/460022240.db2.gz KAKSUDPYXYJETR-UHFFFAOYSA-N 2 2 335.455 3.229 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000625260980 460096297 /nfs/dbraw/zinc/09/62/97/460096297.db2.gz FWPGETDXUZIBJE-DOMZBBRYSA-N 2 2 335.249 3.124 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000625260980 460096302 /nfs/dbraw/zinc/09/63/02/460096302.db2.gz FWPGETDXUZIBJE-DOMZBBRYSA-N 2 2 335.249 3.124 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000598997603 460121281 /nfs/dbraw/zinc/12/12/81/460121281.db2.gz FWSKAHVEFJRHLS-LNLFQRSKSA-N 2 2 336.520 3.495 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000598997603 460121285 /nfs/dbraw/zinc/12/12/85/460121285.db2.gz FWSKAHVEFJRHLS-LNLFQRSKSA-N 2 2 336.520 3.495 10 0 EGAELP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611524530 460387719 /nfs/dbraw/zinc/38/77/19/460387719.db2.gz PEZWZJPNVVHJKA-DOTOQJQBSA-N 2 2 343.471 3.414 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000623089376 460408158 /nfs/dbraw/zinc/40/81/58/460408158.db2.gz FHBTXAKJMSHEQP-IXDOHACOSA-N 2 2 330.463 3.148 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000628476067 460431574 /nfs/dbraw/zinc/43/15/74/460431574.db2.gz AINJLGPYUCZTTI-UHFFFAOYSA-N 2 2 332.488 3.086 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771073 460439169 /nfs/dbraw/zinc/43/91/69/460439169.db2.gz MFHFCXDWSWPTLK-DOMZBBRYSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771073 460439174 /nfs/dbraw/zinc/43/91/74/460439174.db2.gz MFHFCXDWSWPTLK-DOMZBBRYSA-N 2 2 343.393 3.106 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000619770983 460439237 /nfs/dbraw/zinc/43/92/37/460439237.db2.gz FWJDDIZZKCXWRE-AWEZNQCLSA-N 2 2 338.377 3.075 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000619770983 460439242 /nfs/dbraw/zinc/43/92/42/460439242.db2.gz FWJDDIZZKCXWRE-AWEZNQCLSA-N 2 2 338.377 3.075 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771078 460439481 /nfs/dbraw/zinc/43/94/81/460439481.db2.gz MJQDQICMVGZKIS-OLZOCXBDSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771078 460439486 /nfs/dbraw/zinc/43/94/86/460439486.db2.gz MJQDQICMVGZKIS-OLZOCXBDSA-N 2 2 343.393 3.106 10 0 EGAELP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623340915 460497687 /nfs/dbraw/zinc/49/76/87/460497687.db2.gz FTBMTFZTIJBWEN-UHFFFAOYSA-N 2 2 334.357 3.341 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623381499 460517843 /nfs/dbraw/zinc/51/78/43/460517843.db2.gz WRTQJJQKKFMMDV-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623381499 460517848 /nfs/dbraw/zinc/51/78/48/460517848.db2.gz WRTQJJQKKFMMDV-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1(C)C ZINC000623415329 460536740 /nfs/dbraw/zinc/53/67/40/460536740.db2.gz HQERVMREGXQRCG-QGZVFWFLSA-N 3 2 339.593 3.201 10 0 EGAELP Cn1ccnc1C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435425 460547962 /nfs/dbraw/zinc/54/79/62/460547962.db2.gz DOSLMWMRBDIZGJ-ZWKOTPCHSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435425 460547968 /nfs/dbraw/zinc/54/79/68/460547968.db2.gz DOSLMWMRBDIZGJ-ZWKOTPCHSA-N 2 2 326.488 3.166 10 0 EGAELP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000623853435 460745078 /nfs/dbraw/zinc/74/50/78/460745078.db2.gz YGDSHVPJZOOTKU-QGZVFWFLSA-N 2 2 343.496 3.143 10 0 EGAELP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)C1 ZINC000635348561 460751643 /nfs/dbraw/zinc/75/16/43/460751643.db2.gz HXXNDRBILWUCCJ-ZTFGCOKTSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)C1 ZINC000635348561 460751648 /nfs/dbraw/zinc/75/16/48/460751648.db2.gz HXXNDRBILWUCCJ-ZTFGCOKTSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)C1 ZINC000635348561 460751652 /nfs/dbraw/zinc/75/16/52/460751652.db2.gz HXXNDRBILWUCCJ-ZTFGCOKTSA-N 2 2 338.455 3.384 10 0 EGAELP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)C1 ZINC000635348561 460751655 /nfs/dbraw/zinc/75/16/55/460751655.db2.gz HXXNDRBILWUCCJ-ZTFGCOKTSA-N 2 2 338.455 3.384 10 0 EGAELP c1[nH+]cn2c1c(N1CCCC[C@@H]([NH+]3CCCC3)C1)nc1ccccc12 ZINC000623954858 460795488 /nfs/dbraw/zinc/79/54/88/460795488.db2.gz BVSYTAIWCIOWOI-MRXNPFEDSA-N 2 2 335.455 3.337 10 0 EGAELP [NH3+]Cc1cccc2c1N(Cc1cn3cc(Cl)ccc3[nH+]1)CCC2 ZINC000629559441 460806811 /nfs/dbraw/zinc/80/68/11/460806811.db2.gz DGSLPCVVUZYVBZ-UHFFFAOYSA-N 2 2 326.831 3.399 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000629601700 460824532 /nfs/dbraw/zinc/82/45/32/460824532.db2.gz MBTYDQOXCUPIDQ-KRWDZBQOSA-N 2 2 335.879 3.275 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000629601700 460824540 /nfs/dbraw/zinc/82/45/40/460824540.db2.gz MBTYDQOXCUPIDQ-KRWDZBQOSA-N 2 2 335.879 3.275 10 0 EGAELP C[C@@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C[C@H]1n1cc[nH+]c1 ZINC000624035306 460831730 /nfs/dbraw/zinc/83/17/30/460831730.db2.gz UEMJKVFUYHKUKR-RDTXWAMCSA-N 2 2 332.411 3.167 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056013 460839580 /nfs/dbraw/zinc/83/95/80/460839580.db2.gz VAUHXEHRCLCHSY-QAPCUYQASA-N 2 2 347.466 3.336 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)nc1ccccc12 ZINC000624056013 460839584 /nfs/dbraw/zinc/83/95/84/460839584.db2.gz VAUHXEHRCLCHSY-QAPCUYQASA-N 2 2 347.466 3.336 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[NH2+]1 ZINC000629660178 460853425 /nfs/dbraw/zinc/85/34/25/460853425.db2.gz PJNJLBYGFLFMOL-VQIMIIECSA-N 2 2 347.466 3.164 10 0 EGAELP COc1ccc(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000607739284 460895224 /nfs/dbraw/zinc/89/52/24/460895224.db2.gz ZEBPMAOWFPBKRZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000607739284 460895230 /nfs/dbraw/zinc/89/52/30/460895230.db2.gz ZEBPMAOWFPBKRZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000607739284 460895236 /nfs/dbraw/zinc/89/52/36/460895236.db2.gz ZEBPMAOWFPBKRZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000607739284 460895242 /nfs/dbraw/zinc/89/52/42/460895242.db2.gz ZEBPMAOWFPBKRZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189100 460903120 /nfs/dbraw/zinc/90/31/20/460903120.db2.gz 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O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000633523595 461102905 /nfs/dbraw/zinc/10/29/05/461102905.db2.gz ONKSKBYDTNBYNX-LJQANCHMSA-N 2 2 338.455 3.100 10 0 EGAELP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000633523594 461103268 /nfs/dbraw/zinc/10/32/68/461103268.db2.gz ONKSKBYDTNBYNX-IBGZPJMESA-N 2 2 338.455 3.100 10 0 EGAELP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000633523594 461103272 /nfs/dbraw/zinc/10/32/72/461103272.db2.gz ONKSKBYDTNBYNX-IBGZPJMESA-N 2 2 338.455 3.100 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000649483462 461117918 /nfs/dbraw/zinc/11/79/18/461117918.db2.gz MONNHLIFFSEQLZ-UHFFFAOYSA-N 2 2 331.485 3.248 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000649484125 461118075 /nfs/dbraw/zinc/11/80/75/461118075.db2.gz MDVJSIDULGDWQR-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662256070 461144075 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CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357377 462069213 /nfs/dbraw/zinc/06/92/13/462069213.db2.gz NAPRXCUSTVXRHE-KRWDZBQOSA-N 2 2 341.503 3.258 10 0 EGAELP Clc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)cc1 ZINC000657375091 462081397 /nfs/dbraw/zinc/08/13/97/462081397.db2.gz CXSDUJGRDCPTQY-UHFFFAOYSA-N 2 2 331.847 3.278 10 0 EGAELP C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000657380711 462085324 /nfs/dbraw/zinc/08/53/24/462085324.db2.gz LVNLAZDNJUGUMJ-LBPRGKRZSA-N 2 2 349.360 3.475 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657523657 462165772 /nfs/dbraw/zinc/16/57/72/462165772.db2.gz HPQCGPFZZREXCU-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657523657 462165776 /nfs/dbraw/zinc/16/57/76/462165776.db2.gz HPQCGPFZZREXCU-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc(Cl)c1OC ZINC000657523417 462166198 /nfs/dbraw/zinc/16/61/98/462166198.db2.gz HZNKQWPEGXKIOH-CYBMUJFWSA-N 2 2 326.868 3.320 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc(Cl)c1OC ZINC000657523417 462166204 /nfs/dbraw/zinc/16/62/04/462166204.db2.gz HZNKQWPEGXKIOH-CYBMUJFWSA-N 2 2 326.868 3.320 10 0 EGAELP CCOc1c(OC)cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657525800 462167380 /nfs/dbraw/zinc/16/73/80/462167380.db2.gz WBNRGNSTJXCPQH-HNNXBMFYSA-N 2 2 336.476 3.065 10 0 EGAELP CCOc1c(OC)cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657525800 462167383 /nfs/dbraw/zinc/16/73/83/462167383.db2.gz WBNRGNSTJXCPQH-HNNXBMFYSA-N 2 2 336.476 3.065 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667673173 462206126 /nfs/dbraw/zinc/20/61/26/462206126.db2.gz UJERTPPJDMPKQG-GOSISDBHSA-N 2 2 333.439 3.344 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667673173 462206132 /nfs/dbraw/zinc/20/61/32/462206132.db2.gz UJERTPPJDMPKQG-GOSISDBHSA-N 2 2 333.439 3.344 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000657833725 462288118 /nfs/dbraw/zinc/28/81/18/462288118.db2.gz OPLGYWJEPMRDAY-PMACEKPBSA-N 2 2 340.552 3.308 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCSCC3)[nH+]c2)CC1 ZINC000657949753 462327457 /nfs/dbraw/zinc/32/74/57/462327457.db2.gz LQCSHJHIZKZLPT-OAHLLOKOSA-N 2 2 334.533 3.310 10 0 EGAELP Cc1nn2c(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C(C)C)nc2s1 ZINC000651866105 462359840 /nfs/dbraw/zinc/35/98/40/462359840.db2.gz UVOYTVBQRLKICI-UHFFFAOYSA-N 2 2 337.537 3.290 10 0 EGAELP Cc1nn2c(C[NH2+]CCC[N@H+](C)CC(C)C)c(C(C)C)nc2s1 ZINC000651866105 462359846 /nfs/dbraw/zinc/35/98/46/462359846.db2.gz UVOYTVBQRLKICI-UHFFFAOYSA-N 2 2 337.537 3.290 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2[nH+]ccn2CC)cc1 ZINC000665255200 462372345 /nfs/dbraw/zinc/37/23/45/462372345.db2.gz LLIRQXCVUFGDLA-MNEFBYGVSA-N 2 2 342.487 3.098 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2ccco2)cc1F ZINC000665259100 462374149 /nfs/dbraw/zinc/37/41/49/462374149.db2.gz UYEZGQPMMXQLDN-FNHZYXHNSA-N 2 2 346.446 3.484 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2ccco2)cc1F ZINC000665259101 462374472 /nfs/dbraw/zinc/37/44/72/462374472.db2.gz UYEZGQPMMXQLDN-LJHODMEESA-N 2 2 346.446 3.484 10 0 EGAELP Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000651961992 462393477 /nfs/dbraw/zinc/39/34/77/462393477.db2.gz PRQCYYPYHRWKQK-FQEVSTJZSA-N 2 2 338.499 3.168 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341173 462481975 /nfs/dbraw/zinc/48/19/75/462481975.db2.gz HDDRAZVQFJJGLJ-DOTOQJQBSA-N 2 2 339.474 3.072 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341173 462481980 /nfs/dbraw/zinc/48/19/80/462481980.db2.gz HDDRAZVQFJJGLJ-DOTOQJQBSA-N 2 2 339.474 3.072 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344993 462482934 /nfs/dbraw/zinc/48/29/34/462482934.db2.gz XVIPUSGWZQZMLZ-APWZRJJASA-N 2 2 329.513 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344993 462482941 /nfs/dbraw/zinc/48/29/41/462482941.db2.gz XVIPUSGWZQZMLZ-APWZRJJASA-N 2 2 329.513 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662140450 462530801 /nfs/dbraw/zinc/53/08/01/462530801.db2.gz DQVIYCXQKKBDOO-OXJNMPFZSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662140450 462530803 /nfs/dbraw/zinc/53/08/03/462530803.db2.gz DQVIYCXQKKBDOO-OXJNMPFZSA-N 2 2 329.488 3.465 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000191304765 526641501 /nfs/dbraw/zinc/64/15/01/526641501.db2.gz ROVCDCKGBLEZBD-GFCCVEGCSA-N 2 2 336.233 3.371 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000191304765 526641507 /nfs/dbraw/zinc/64/15/07/526641507.db2.gz ROVCDCKGBLEZBD-GFCCVEGCSA-N 2 2 336.233 3.371 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178322920 529155412 /nfs/dbraw/zinc/15/54/12/529155412.db2.gz RJFUNGZBMWWDAR-SFHVURJKSA-N 2 2 340.471 3.165 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178322920 529155414 /nfs/dbraw/zinc/15/54/14/529155414.db2.gz RJFUNGZBMWWDAR-SFHVURJKSA-N 2 2 340.471 3.165 10 0 EGAELP COCCCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000246903037 536626032 /nfs/dbraw/zinc/62/60/32/536626032.db2.gz ULFZOTHGCCZZRY-FXAWDEMLSA-N 2 2 343.471 3.382 10 0 EGAELP COCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000246903037 536626034 /nfs/dbraw/zinc/62/60/34/536626034.db2.gz ULFZOTHGCCZZRY-FXAWDEMLSA-N 2 2 343.471 3.382 10 0 EGAELP COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730111 536911409 /nfs/dbraw/zinc/91/14/09/536911409.db2.gz RCLSWYVQTTZTBG-PZJWPPBQSA-N 2 2 349.434 3.189 10 0 EGAELP COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730111 536911411 /nfs/dbraw/zinc/91/14/11/536911411.db2.gz RCLSWYVQTTZTBG-PZJWPPBQSA-N 2 2 349.434 3.189 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000086247937 546632169 /nfs/dbraw/zinc/63/21/69/546632169.db2.gz IKUUMQUDADSLKX-HNNXBMFYSA-N 2 2 337.427 3.035 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189503 546654799 /nfs/dbraw/zinc/65/47/99/546654799.db2.gz PIQCLEODXVGDRU-DNVCBOLYSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189503 546654802 /nfs/dbraw/zinc/65/48/02/546654802.db2.gz PIQCLEODXVGDRU-DNVCBOLYSA-N 2 2 326.488 3.292 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693989 546708159 /nfs/dbraw/zinc/70/81/59/546708159.db2.gz UIZGWMDSBNLVLG-GHTZIAJQSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693989 546708162 /nfs/dbraw/zinc/70/81/62/546708162.db2.gz UIZGWMDSBNLVLG-GHTZIAJQSA-N 3 2 329.532 3.361 10 0 EGAELP COc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398085565 547835975 /nfs/dbraw/zinc/83/59/75/547835975.db2.gz IAANCDKKLPYYJV-RHSMWYFYSA-N 2 2 331.485 3.152 10 0 EGAELP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398085565 547835977 /nfs/dbraw/zinc/83/59/77/547835977.db2.gz IAANCDKKLPYYJV-RHSMWYFYSA-N 2 2 331.485 3.152 10 0 EGAELP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000414840688 547860377 /nfs/dbraw/zinc/86/03/77/547860377.db2.gz GYPMBRKQVYEHAX-INIZCTEOSA-N 2 2 340.393 3.358 10 0 EGAELP Cc1ccc2nc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)cn2c1 ZINC000671190671 548258037 /nfs/dbraw/zinc/25/80/37/548258037.db2.gz AGBVPPHWMBFHOE-LJQANCHMSA-N 2 2 345.450 3.450 10 0 EGAELP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000671626549 548319799 /nfs/dbraw/zinc/31/97/99/548319799.db2.gz VUGDUZVUQUTLRM-GJZGRUSLSA-N 2 2 349.438 3.458 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000672225271 548410886 /nfs/dbraw/zinc/41/08/86/548410886.db2.gz HXEYZDQSYMCWDS-QGZVFWFLSA-N 2 2 348.454 3.206 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000672225271 548410890 /nfs/dbraw/zinc/41/08/90/548410890.db2.gz HXEYZDQSYMCWDS-QGZVFWFLSA-N 2 2 348.454 3.206 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675922999 549005457 /nfs/dbraw/zinc/00/54/57/549005457.db2.gz QYKJNMJLNORVRY-IBGZPJMESA-N 3 2 326.488 3.168 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675922999 549005461 /nfs/dbraw/zinc/00/54/61/549005461.db2.gz QYKJNMJLNORVRY-IBGZPJMESA-N 2 2 326.488 3.168 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000676704237 549131859 /nfs/dbraw/zinc/13/18/59/549131859.db2.gz CHMUMBIUNCBEQY-KRWDZBQOSA-N 2 2 343.471 3.152 10 0 EGAELP Cc1noc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000676722040 549136774 /nfs/dbraw/zinc/13/67/74/549136774.db2.gz WHDFYTNSOFBWLY-YOEHRIQHSA-N 2 2 325.416 3.283 10 0 EGAELP CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677306637 549246081 /nfs/dbraw/zinc/24/60/81/549246081.db2.gz ONBOYRHWRDTYKL-MJGOQNOKSA-N 2 2 349.563 3.220 10 0 EGAELP CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677306637 549246084 /nfs/dbraw/zinc/24/60/84/549246084.db2.gz ONBOYRHWRDTYKL-MJGOQNOKSA-N 2 2 349.563 3.220 10 0 EGAELP C[C@H](Cc1ccsc1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044563 549624662 /nfs/dbraw/zinc/62/46/62/549624662.db2.gz PCUGISALRZQSDR-YLJYHZDGSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@H](Cc1ccsc1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044563 549624664 /nfs/dbraw/zinc/62/46/64/549624664.db2.gz PCUGISALRZQSDR-YLJYHZDGSA-N 2 2 344.524 3.296 10 0 EGAELP CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680327124 549849031 /nfs/dbraw/zinc/84/90/31/549849031.db2.gz LZIKAVWFHCGODU-UHFFFAOYSA-N 2 2 346.500 3.014 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919930 550273275 /nfs/dbraw/zinc/27/32/75/550273275.db2.gz QGWDOOKNFWWRFP-INIZCTEOSA-N 2 2 346.519 3.190 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919930 550273277 /nfs/dbraw/zinc/27/32/77/550273277.db2.gz QGWDOOKNFWWRFP-INIZCTEOSA-N 2 2 346.519 3.190 10 0 EGAELP CC[NH+](CC)CCC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000685042989 550396510 /nfs/dbraw/zinc/39/65/10/550396510.db2.gz GFNVGTOHGQFRIE-SFHVURJKSA-N 2 2 329.488 3.143 10 0 EGAELP CC[NH+](CC)CCC[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000685042989 550396513 /nfs/dbraw/zinc/39/65/13/550396513.db2.gz GFNVGTOHGQFRIE-SFHVURJKSA-N 2 2 329.488 3.143 10 0 EGAELP Cc1cc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)ccc1F ZINC000685662157 550437340 /nfs/dbraw/zinc/43/73/40/550437340.db2.gz MNUHSGFYMMNMRG-UZLBHIALSA-N 2 2 336.414 3.489 10 0 EGAELP Cc1cc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)ccc1F ZINC000685662157 550437343 /nfs/dbraw/zinc/43/73/43/550437343.db2.gz MNUHSGFYMMNMRG-UZLBHIALSA-N 2 2 336.414 3.489 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cn2nc(C(C)C)n(C)c2=S)CC1 ZINC000738070904 574635683 /nfs/dbraw/zinc/63/56/83/574635683.db2.gz MNCVBQHFNLYLTD-UHFFFAOYSA-N 2 2 339.553 3.086 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000728685961 574766198 /nfs/dbraw/zinc/76/61/98/574766198.db2.gz JSSKFRCWYHDYPJ-FXAWDEMLSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000728685961 574766200 /nfs/dbraw/zinc/76/62/00/574766200.db2.gz JSSKFRCWYHDYPJ-FXAWDEMLSA-N 2 2 334.479 3.447 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000731032156 575047377 /nfs/dbraw/zinc/04/73/77/575047377.db2.gz VGNNNKLSHILUEI-INIZCTEOSA-N 2 2 330.394 3.201 10 0 EGAELP Cn1cc[nH+]c1C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000742424587 576782736 /nfs/dbraw/zinc/78/27/36/576782736.db2.gz MJNRJWXLRNYBAU-QGZVFWFLSA-N 2 2 348.454 3.206 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1Cl ZINC000069751995 1292250683 /nfs/dbraw/zinc/25/06/83/1292250683.db2.gz HMORURODWQNBQN-CQSZACIVSA-N 2 2 326.916 3.467 10 0 EGAELP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872072562 1296717949 /nfs/dbraw/zinc/71/79/49/1296717949.db2.gz HHQRDODSYRZBOY-IRXDYDNUSA-N 2 2 331.435 3.032 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C(F)(F)F ZINC000872150400 1296770063 /nfs/dbraw/zinc/77/00/63/1296770063.db2.gz DZTLJWKKADAAEQ-YPMHNXCESA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C(F)(F)F ZINC000872150400 1296770079 /nfs/dbraw/zinc/77/00/79/1296770079.db2.gz DZTLJWKKADAAEQ-YPMHNXCESA-N 2 2 343.780 3.457 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398079059 1297714367 /nfs/dbraw/zinc/71/43/67/1297714367.db2.gz GKGCCIAICJAQGG-WIYYLYMNSA-N 3 2 329.532 3.359 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398079059 1297714377 /nfs/dbraw/zinc/71/43/77/1297714377.db2.gz GKGCCIAICJAQGG-WIYYLYMNSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000893028253 1305668465 /nfs/dbraw/zinc/66/84/65/1305668465.db2.gz ZSUQHEGBCXJSBD-VQIMIIECSA-N 2 2 340.471 3.207 10 0 EGAELP COc1ccc(OC)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110958 1309195321 /nfs/dbraw/zinc/19/53/21/1309195321.db2.gz FMMORZHHJJGGOO-QAQDUYKDSA-N 2 2 341.455 3.375 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000895827197 1309540968 /nfs/dbraw/zinc/54/09/68/1309540968.db2.gz HIXDARHHIYMTLA-UHFFFAOYSA-N 2 2 341.499 3.029 10 0 EGAELP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859244595 1328954201 /nfs/dbraw/zinc/95/42/01/1328954201.db2.gz RABFZYMAKYVILY-UHFFFAOYSA-N 2 2 326.916 3.408 10 0 EGAELP Cc1c(Cl)ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1Cl ZINC000922215110 1322480035 /nfs/dbraw/zinc/48/00/35/1322480035.db2.gz YADZGLBWNRPNGA-UHFFFAOYSA-N 2 2 331.287 3.238 10 0 EGAELP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923328239 1322734819 /nfs/dbraw/zinc/73/48/19/1322734819.db2.gz UVSKRCUJLMZLLR-HNNXBMFYSA-N 2 2 344.528 3.117 10 0 EGAELP COC(=O)[C@H](c1ccsc1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508363 1322765346 /nfs/dbraw/zinc/76/53/46/1322765346.db2.gz UXWMNGCSRXLELI-PBHICJAKSA-N 2 2 336.501 3.064 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924647625 1323091714 /nfs/dbraw/zinc/09/17/14/1323091714.db2.gz GDVATKWJAOWLHT-ABAIWWIYSA-N 2 2 335.249 3.096 10 0 EGAELP c1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924652253 1323094268 /nfs/dbraw/zinc/09/42/68/1323094268.db2.gz FGBZOMHFFIZPJP-WOJBJXKFSA-N 2 2 328.500 3.341 10 0 EGAELP c1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000924652253 1323094273 /nfs/dbraw/zinc/09/42/73/1323094273.db2.gz FGBZOMHFFIZPJP-WOJBJXKFSA-N 2 2 328.500 3.341 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000925731765 1325275037 /nfs/dbraw/zinc/27/50/37/1325275037.db2.gz VGMQLJHKXGOQCR-WSTZPKSXSA-N 2 2 343.515 3.446 10 0 EGAELP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925779412 1325297094 /nfs/dbraw/zinc/29/70/94/1325297094.db2.gz NBJRMCAYBQYNIE-QWRGUYRKSA-N 2 2 348.821 3.253 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926402089 1325541152 /nfs/dbraw/zinc/54/11/52/1325541152.db2.gz RZBPJIYWSKGWFE-UXHICEINSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926402089 1325541158 /nfs/dbraw/zinc/54/11/58/1325541158.db2.gz RZBPJIYWSKGWFE-UXHICEINSA-N 2 2 332.488 3.208 10 0 EGAELP C[C@@H]1COC[C@@H](C)C1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926861366 1327743609 /nfs/dbraw/zinc/74/36/09/1327743609.db2.gz YSJRLKBRGHOCLO-GPMSIDNRSA-N 2 2 329.488 3.054 10 0 EGAELP C[C@@H]1COC[C@@H](C)C1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926861366 1327743616 /nfs/dbraw/zinc/74/36/16/1327743616.db2.gz YSJRLKBRGHOCLO-GPMSIDNRSA-N 2 2 329.488 3.054 10 0 EGAELP COC(C)(C)[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957037 1327796021 /nfs/dbraw/zinc/79/60/21/1327796021.db2.gz FSCFRRUDYNFURT-QGZVFWFLSA-N 2 2 334.504 3.071 10 0 EGAELP COC(C)(C)[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957037 1327796028 /nfs/dbraw/zinc/79/60/28/1327796028.db2.gz FSCFRRUDYNFURT-QGZVFWFLSA-N 2 2 334.504 3.071 10 0 EGAELP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000926956958 1327796407 /nfs/dbraw/zinc/79/64/07/1327796407.db2.gz DUBDZFWYFXPBFM-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000926956958 1327796415 /nfs/dbraw/zinc/79/64/15/1327796415.db2.gz DUBDZFWYFXPBFM-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)C[NH+](C)C ZINC000926960921 1327799482 /nfs/dbraw/zinc/79/94/82/1327799482.db2.gz HPZVRCPUIXPIJB-WFASDCNBSA-N 2 2 329.282 3.066 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060860 1327834851 /nfs/dbraw/zinc/83/48/51/1327834851.db2.gz DIRZASILMBFKTH-VDGAXYAQSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060860 1327834855 /nfs/dbraw/zinc/83/48/55/1327834855.db2.gz DIRZASILMBFKTH-VDGAXYAQSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927101470 1327862204 /nfs/dbraw/zinc/86/22/04/1327862204.db2.gz DEXXMVRVKIWBEI-LPHOPBHVSA-N 2 2 341.499 3.332 10 0 EGAELP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927101470 1327862209 /nfs/dbraw/zinc/86/22/09/1327862209.db2.gz DEXXMVRVKIWBEI-LPHOPBHVSA-N 2 2 341.499 3.332 10 0 EGAELP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103914 1327864954 /nfs/dbraw/zinc/86/49/54/1327864954.db2.gz GUQCYJICRBKHOC-QAPCUYQASA-N 2 2 334.529 3.182 10 0 EGAELP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927103914 1327864963 /nfs/dbraw/zinc/86/49/63/1327864963.db2.gz GUQCYJICRBKHOC-QAPCUYQASA-N 2 2 334.529 3.182 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc(Cl)c(F)c3)[nH+]c2)C1 ZINC000865290248 1329683719 /nfs/dbraw/zinc/68/37/19/1329683719.db2.gz CFGNBFPTSCHKHP-CQSZACIVSA-N 2 2 349.841 3.022 10 0 EGAELP CSc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000866341202 1330098761 /nfs/dbraw/zinc/09/87/61/1330098761.db2.gz XARQAAUXXPUMOC-PMACEKPBSA-N 2 2 342.508 3.154 10 0 EGAELP CSc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000866341202 1330098763 /nfs/dbraw/zinc/09/87/63/1330098763.db2.gz XARQAAUXXPUMOC-PMACEKPBSA-N 2 2 342.508 3.154 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)[C@H](C)C1 ZINC000866511775 1330119943 /nfs/dbraw/zinc/11/99/43/1330119943.db2.gz SXQBKPQWBOXCBX-RHSMWYFYSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)[C@H](C)C1 ZINC000866511775 1330119945 /nfs/dbraw/zinc/11/99/45/1330119945.db2.gz SXQBKPQWBOXCBX-RHSMWYFYSA-N 2 2 349.450 3.194 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705181 1330142792 /nfs/dbraw/zinc/14/27/92/1330142792.db2.gz VEAUHZGYSDHYOQ-MGPUTAFESA-N 2 2 347.503 3.109 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705181 1330142794 /nfs/dbraw/zinc/14/27/94/1330142794.db2.gz VEAUHZGYSDHYOQ-MGPUTAFESA-N 2 2 347.503 3.109 10 0 EGAELP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302482 1387328527 /nfs/dbraw/zinc/32/85/27/1387328527.db2.gz OLFZXSYDMGSPKU-VQTJNVASSA-N 2 2 345.531 3.114 10 0 EGAELP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302482 1387328529 /nfs/dbraw/zinc/32/85/29/1387328529.db2.gz OLFZXSYDMGSPKU-VQTJNVASSA-N 2 2 345.531 3.114 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001323813917 1387465951 /nfs/dbraw/zinc/46/59/51/1387465951.db2.gz VJGRPPGHAATGCT-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001323813917 1387465955 /nfs/dbraw/zinc/46/59/55/1387465955.db2.gz VJGRPPGHAATGCT-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001323856724 1387476711 /nfs/dbraw/zinc/47/67/11/1387476711.db2.gz DAGWBUMRUVGVRC-MBOZVWFJSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001323856724 1387476717 /nfs/dbraw/zinc/47/67/17/1387476717.db2.gz DAGWBUMRUVGVRC-MBOZVWFJSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001323856724 1387476723 /nfs/dbraw/zinc/47/67/23/1387476723.db2.gz DAGWBUMRUVGVRC-MBOZVWFJSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001323856724 1387476727 /nfs/dbraw/zinc/47/67/27/1387476727.db2.gz DAGWBUMRUVGVRC-MBOZVWFJSA-N 2 2 344.503 3.018 10 0 EGAELP C[C@@]1(C[NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324738219 1387757537 /nfs/dbraw/zinc/75/75/37/1387757537.db2.gz STNGXXYXOVAZGN-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@@]1(C[NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324738219 1387757539 /nfs/dbraw/zinc/75/75/39/1387757539.db2.gz STNGXXYXOVAZGN-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP CC(C)(C)CC[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001324903833 1387811715 /nfs/dbraw/zinc/81/17/15/1387811715.db2.gz DCMDAXCNUZHRQA-UHFFFAOYSA-N 2 2 348.535 3.318 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC001196217339 1368569707 /nfs/dbraw/zinc/56/97/07/1368569707.db2.gz JRWOKDSVXUGHQW-NVXWUHKLSA-N 2 2 342.405 3.387 10 0 EGAELP FC1(C2CC2)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001198385600 1369020286 /nfs/dbraw/zinc/02/02/86/1369020286.db2.gz BTNACXCOOAGQBR-UHFFFAOYSA-N 2 2 345.506 3.413 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326559468 1388239951 /nfs/dbraw/zinc/23/99/51/1388239951.db2.gz WZEHRLQJEUTUOR-BRWVUGGUSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326559468 1388239955 /nfs/dbraw/zinc/23/99/55/1388239955.db2.gz WZEHRLQJEUTUOR-BRWVUGGUSA-N 2 2 348.535 3.289 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2)n1cc[nH+]c1 ZINC001326586524 1388249487 /nfs/dbraw/zinc/24/94/87/1388249487.db2.gz WPCFLXAISSCPLT-GOSISDBHSA-N 2 2 346.519 3.051 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]CCCC(C)C)ccn12 ZINC001266143109 1377205315 /nfs/dbraw/zinc/20/53/15/1377205315.db2.gz CHYHUBTVMHKQSU-HNNXBMFYSA-N 2 2 330.476 3.177 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1nc(C2CC2)cs1 ZINC001136818552 1377425636 /nfs/dbraw/zinc/42/56/36/1377425636.db2.gz CDMHORCKIXPCNN-UHFFFAOYSA-N 2 2 339.424 3.091 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735922 1377519428 /nfs/dbraw/zinc/51/94/28/1377519428.db2.gz PAYVEJVMDRBSGJ-MJGOQNOKSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735922 1377519431 /nfs/dbraw/zinc/51/94/31/1377519431.db2.gz PAYVEJVMDRBSGJ-MJGOQNOKSA-N 2 2 346.519 3.407 10 0 EGAELP CC[N@H+](CC1CCC(O)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001327513549 1388544121 /nfs/dbraw/zinc/54/41/21/1388544121.db2.gz XLLCKFPHWXBQDF-UHFFFAOYSA-N 2 2 331.504 3.171 10 0 EGAELP CC[N@@H+](CC1CCC(O)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001327513549 1388544123 /nfs/dbraw/zinc/54/41/23/1388544123.db2.gz XLLCKFPHWXBQDF-UHFFFAOYSA-N 2 2 331.504 3.171 10 0 EGAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001283704783 1379131109 /nfs/dbraw/zinc/13/11/09/1379131109.db2.gz XVPIWVBJGQHKQN-LBPRGKRZSA-N 2 2 348.516 3.002 10 0 EGAELP Cc1ccc(C[N@@H+](C)CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)C)cc1 ZINC001284535829 1379942255 /nfs/dbraw/zinc/94/22/55/1379942255.db2.gz AADYDZHNENYWBN-UHFFFAOYSA-N 2 2 342.487 3.020 10 0 EGAELP Cc1ccc(C[N@H+](C)CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)C)cc1 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ZINC001699860324 1413293638 /nfs/dbraw/zinc/29/36/38/1413293638.db2.gz AYOXSDRSLNNKEA-UHFFFAOYSA-N 2 2 340.471 3.361 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001700123934 1413539691 /nfs/dbraw/zinc/53/96/91/1413539691.db2.gz QHVUMMLLGTTXNS-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700177419 1413587394 /nfs/dbraw/zinc/58/73/94/1413587394.db2.gz CBZZZAKKOJDCJN-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700177419 1413587396 /nfs/dbraw/zinc/58/73/96/1413587396.db2.gz CBZZZAKKOJDCJN-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001700437173 1414005715 /nfs/dbraw/zinc/00/57/15/1414005715.db2.gz FZYFQVVMSQNDLX-WAYWQWQTSA-N 2 2 346.519 3.068 10 0 EGAELP C[C@H](F)CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001700512956 1414162912 /nfs/dbraw/zinc/16/29/12/1414162912.db2.gz XSSBAGAMCHGEEK-AWEZNQCLSA-N 2 2 346.450 3.333 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC001732584426 1428795109 /nfs/dbraw/zinc/79/51/09/1428795109.db2.gz JTIPODFECRAOKU-LJQANCHMSA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC001732584426 1428795111 /nfs/dbraw/zinc/79/51/11/1428795111.db2.gz JTIPODFECRAOKU-LJQANCHMSA-N 2 2 348.535 3.441 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001700632969 1414301305 /nfs/dbraw/zinc/30/13/05/1414301305.db2.gz DVUSGXITAQSNQU-KBAYOESNSA-N 2 2 348.535 3.093 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCC[NH2+]CC3CC(C)C3)ccn12 ZINC001700659923 1414319495 /nfs/dbraw/zinc/31/94/95/1414319495.db2.gz YFGNYGNYUKTFIU-CKDBGZEDSA-N 2 2 342.487 3.177 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001700863015 1414512189 /nfs/dbraw/zinc/51/21/89/1414512189.db2.gz LTNJISTVBAFCPQ-OVWIBMNISA-N 2 2 344.503 3.304 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001700863015 1414512193 /nfs/dbraw/zinc/51/21/93/1414512193.db2.gz LTNJISTVBAFCPQ-OVWIBMNISA-N 2 2 344.503 3.304 10 0 EGAELP C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C)n1cc[nH+]c1 ZINC001700992942 1414638639 /nfs/dbraw/zinc/63/86/39/1414638639.db2.gz NUTJUSVJPSIGRU-SJLPKXTDSA-N 2 2 342.487 3.155 10 0 EGAELP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732799925 1428979439 /nfs/dbraw/zinc/97/94/39/1428979439.db2.gz SLSRHZBWOSEIJB-KRWDZBQOSA-N 2 2 346.519 3.243 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCOC(C)C)C2)c(C)[nH+]1 ZINC001713376731 1417986752 /nfs/dbraw/zinc/98/67/52/1417986752.db2.gz IUDXEQXROWSCAS-MSOLQXFVSA-N 2 2 347.503 3.062 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]Cc3ccsc3)ccn12 ZINC001713408082 1418030913 /nfs/dbraw/zinc/03/09/13/1418030913.db2.gz YRQPZDIOUMHOJK-CYBMUJFWSA-N 2 2 342.468 3.002 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001713430102 1418058587 /nfs/dbraw/zinc/05/85/87/1418058587.db2.gz ASRATSIDLWNIBL-QGZVFWFLSA-N 2 2 328.460 3.027 10 0 EGAELP CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001713430102 1418058591 /nfs/dbraw/zinc/05/85/91/1418058591.db2.gz ASRATSIDLWNIBL-QGZVFWFLSA-N 2 2 328.460 3.027 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001713438615 1418071128 /nfs/dbraw/zinc/07/11/28/1418071128.db2.gz GJNDDDFPCHETKO-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001713438615 1418071131 /nfs/dbraw/zinc/07/11/31/1418071131.db2.gz GJNDDDFPCHETKO-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713752518 1418554804 /nfs/dbraw/zinc/55/48/04/1418554804.db2.gz QNPVWUIJYYDFIG-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713752518 1418554806 /nfs/dbraw/zinc/55/48/06/1418554806.db2.gz QNPVWUIJYYDFIG-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713752518 1418554810 /nfs/dbraw/zinc/55/48/10/1418554810.db2.gz QNPVWUIJYYDFIG-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713752518 1418554813 /nfs/dbraw/zinc/55/48/13/1418554813.db2.gz QNPVWUIJYYDFIG-GOSISDBHSA-N 2 2 346.519 3.093 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714044732 1418837708 /nfs/dbraw/zinc/83/77/08/1418837708.db2.gz UNUPZGUVDKAAKX-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714044732 1418837710 /nfs/dbraw/zinc/83/77/10/1418837710.db2.gz UNUPZGUVDKAAKX-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714129778 1418933430 /nfs/dbraw/zinc/93/34/30/1418933430.db2.gz RPGVYAVTMPBHIC-MOPGFXCFSA-N 2 2 348.535 3.487 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001714135864 1418939055 /nfs/dbraw/zinc/93/90/55/1418939055.db2.gz DXDKVVNPJZCRRF-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001714135864 1418939057 /nfs/dbraw/zinc/93/90/57/1418939057.db2.gz DXDKVVNPJZCRRF-UHFFFAOYSA-N 2 2 346.519 3.331 10 0 EGAELP C[C@@H](CC(=O)NC1CCC([NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001714196766 1419001811 /nfs/dbraw/zinc/00/18/11/1419001811.db2.gz MCYLUVYENIKWHI-IVMQYODDSA-N 2 2 346.519 3.432 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001714312136 1419093069 /nfs/dbraw/zinc/09/30/69/1419093069.db2.gz YZOFANFBRPHXHV-XIRDDKMYSA-N 2 2 346.519 3.042 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001714312136 1419093073 /nfs/dbraw/zinc/09/30/73/1419093073.db2.gz YZOFANFBRPHXHV-XIRDDKMYSA-N 2 2 346.519 3.042 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714400782 1419144221 /nfs/dbraw/zinc/14/42/21/1419144221.db2.gz DVAHTOYGMBMBSH-HOTGVXAUSA-N 2 2 334.508 3.186 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714400782 1419144224 /nfs/dbraw/zinc/14/42/24/1419144224.db2.gz DVAHTOYGMBMBSH-HOTGVXAUSA-N 2 2 334.508 3.186 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402262 1419145052 /nfs/dbraw/zinc/14/50/52/1419145052.db2.gz VCSUCRZOTZHRFK-QZTJIDSGSA-N 2 2 344.503 3.250 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402262 1419145054 /nfs/dbraw/zinc/14/50/54/1419145054.db2.gz VCSUCRZOTZHRFK-QZTJIDSGSA-N 2 2 344.503 3.250 10 0 EGAELP CC(C)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001714497933 1419222706 /nfs/dbraw/zinc/22/27/06/1419222706.db2.gz XHUGTQGIITWUHV-UHFFFAOYSA-N 2 2 342.487 3.403 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001714622020 1419389955 /nfs/dbraw/zinc/38/99/55/1419389955.db2.gz PWFWOLSQKHYXDY-MJGOQNOKSA-N 2 2 344.503 3.305 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001714622020 1419389959 /nfs/dbraw/zinc/38/99/59/1419389959.db2.gz PWFWOLSQKHYXDY-MJGOQNOKSA-N 2 2 344.503 3.305 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714863094 1419586993 /nfs/dbraw/zinc/58/69/93/1419586993.db2.gz AJSCQXCDSGLJBS-OAHLLOKOSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714863094 1419586996 /nfs/dbraw/zinc/58/69/96/1419586996.db2.gz AJSCQXCDSGLJBS-OAHLLOKOSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001714921749 1419674366 /nfs/dbraw/zinc/67/43/66/1419674366.db2.gz YCFZULNEIKHOSE-INIZCTEOSA-N 2 2 328.460 3.035 10 0 EGAELP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714987879 1419720571 /nfs/dbraw/zinc/72/05/71/1419720571.db2.gz OJASHIGTJLUXRO-FHWLQOOXSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714987879 1419720574 /nfs/dbraw/zinc/72/05/74/1419720574.db2.gz OJASHIGTJLUXRO-FHWLQOOXSA-N 2 2 346.519 3.192 10 0 EGAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)cccc1C ZINC001715076378 1419811466 /nfs/dbraw/zinc/81/14/66/1419811466.db2.gz NWGYWYLFMCBYDV-QZTJIDSGSA-N 2 2 342.487 3.136 10 0 EGAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715136301 1419885489 /nfs/dbraw/zinc/88/54/89/1419885489.db2.gz CDHIVSXDVOIBGO-UZLBHIALSA-N 2 2 346.519 3.187 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001715253260 1419977523 /nfs/dbraw/zinc/97/75/23/1419977523.db2.gz FZFKIJKHAWNLBF-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001715427988 1420117786 /nfs/dbraw/zinc/11/77/86/1420117786.db2.gz YRJFZDXOORASFJ-JKSUJKDBSA-N 2 2 348.535 3.340 10 0 EGAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001715854168 1420368746 /nfs/dbraw/zinc/36/87/46/1420368746.db2.gz VWEMUNUGCHVJIC-BQYQJAHWSA-N 2 2 327.472 3.383 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001716030177 1420487912 /nfs/dbraw/zinc/48/79/12/1420487912.db2.gz DRMFIVILFHGLRB-HIFRSBDPSA-N 2 2 348.878 3.043 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001716030177 1420487915 /nfs/dbraw/zinc/48/79/15/1420487915.db2.gz DRMFIVILFHGLRB-HIFRSBDPSA-N 2 2 348.878 3.043 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001716159306 1420545831 /nfs/dbraw/zinc/54/58/31/1420545831.db2.gz VGNJFMKVNQAFFF-AWEZNQCLSA-N 2 2 345.512 3.409 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)C)ccn12 ZINC001716478219 1420693829 /nfs/dbraw/zinc/69/38/29/1420693829.db2.gz OVSVALLMDOJTRJ-HNNXBMFYSA-N 2 2 330.476 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)C)ccn12 ZINC001716478219 1420693832 /nfs/dbraw/zinc/69/38/32/1420693832.db2.gz OVSVALLMDOJTRJ-HNNXBMFYSA-N 2 2 330.476 3.129 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001716724330 1420882499 /nfs/dbraw/zinc/88/24/99/1420882499.db2.gz ZUVXRRKKQNHHGD-UYAOXDASSA-N 2 2 346.519 3.024 10 0 EGAELP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001716724330 1420882503 /nfs/dbraw/zinc/88/25/03/1420882503.db2.gz ZUVXRRKKQNHHGD-UYAOXDASSA-N 2 2 346.519 3.024 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001716741896 1420897718 /nfs/dbraw/zinc/89/77/18/1420897718.db2.gz PJRRURZLQJFOHM-INIZCTEOSA-N 2 2 348.535 3.366 10 0 EGAELP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733277614 1429443432 /nfs/dbraw/zinc/44/34/32/1429443432.db2.gz NJFKTKOIHXBRDS-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733277614 1429443435 /nfs/dbraw/zinc/44/34/35/1429443435.db2.gz NJFKTKOIHXBRDS-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733277614 1429443438 /nfs/dbraw/zinc/44/34/38/1429443438.db2.gz NJFKTKOIHXBRDS-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733277614 1429443440 /nfs/dbraw/zinc/44/34/40/1429443440.db2.gz NJFKTKOIHXBRDS-UHFFFAOYSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](c1ccc(F)cc1)[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001716752549 1420904001 /nfs/dbraw/zinc/90/40/01/1420904001.db2.gz XWOIKTNHTYANEA-IBGZPJMESA-N 2 2 349.494 3.151 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001716763420 1420910114 /nfs/dbraw/zinc/91/01/14/1420910114.db2.gz HFMGIIUIEVMCEZ-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001717121917 1421124991 /nfs/dbraw/zinc/12/49/91/1421124991.db2.gz RHZXZDPPVRAXBO-BZSNNMDCSA-N 2 2 334.508 3.143 10 0 EGAELP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717202855 1421171606 /nfs/dbraw/zinc/17/16/06/1421171606.db2.gz CEOXFMWSJQHYMP-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717202855 1421171607 /nfs/dbraw/zinc/17/16/07/1421171607.db2.gz CEOXFMWSJQHYMP-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001717525173 1421460557 /nfs/dbraw/zinc/46/05/57/1421460557.db2.gz GWSVJNFUDHPNHC-UHFFFAOYSA-N 2 2 344.503 3.182 10 0 EGAELP C[C@@H](CCC[NH2+]CCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001717669387 1421559163 /nfs/dbraw/zinc/55/91/63/1421559163.db2.gz UNYUCTHXMVQYQH-INIZCTEOSA-N 2 2 348.535 3.073 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001717903824 1421700195 /nfs/dbraw/zinc/70/01/95/1421700195.db2.gz ABGXLVXFOLVZSW-ROUUACIJSA-N 2 2 348.535 3.172 10 0 EGAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001733315282 1429500573 /nfs/dbraw/zinc/50/05/73/1429500573.db2.gz KFQOWDDXCKWHMJ-QGZVFWFLSA-N 2 2 345.531 3.355 10 0 EGAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001733315282 1429500577 /nfs/dbraw/zinc/50/05/77/1429500577.db2.gz KFQOWDDXCKWHMJ-QGZVFWFLSA-N 2 2 345.531 3.355 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001733324737 1429509587 /nfs/dbraw/zinc/50/95/87/1429509587.db2.gz FBQCRFZNCNSIAN-HOTGVXAUSA-N 2 2 328.460 3.107 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001733551005 1429751506 /nfs/dbraw/zinc/75/15/06/1429751506.db2.gz KYQRQMUWLSELEZ-MAUKXSAKSA-N 2 2 331.504 3.351 10 0 EGAELP CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001724882464 1425263851 /nfs/dbraw/zinc/26/38/51/1425263851.db2.gz CUYSXHCREGIHMB-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001724882464 1425263855 /nfs/dbraw/zinc/26/38/55/1425263855.db2.gz CUYSXHCREGIHMB-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001724899755 1425293577 /nfs/dbraw/zinc/29/35/77/1425293577.db2.gz OYGDTINTYXDUDP-QUCCMNQESA-N 2 2 346.519 3.024 10 0 EGAELP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001724899755 1425293579 /nfs/dbraw/zinc/29/35/79/1425293579.db2.gz OYGDTINTYXDUDP-QUCCMNQESA-N 2 2 346.519 3.024 10 0 EGAELP CN(CC(C)(C)C[NH2+]CCC1CCCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725147238 1425630010 /nfs/dbraw/zinc/63/00/10/1425630010.db2.gz OOYAVAPPCJRJQP-UHFFFAOYSA-N 2 2 348.535 3.387 10 0 EGAELP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001725396830 1426041955 /nfs/dbraw/zinc/04/19/55/1426041955.db2.gz VHUVIWARWHJPFQ-IAGOWNOFSA-N 2 2 348.535 3.146 10 0 EGAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCC(C)(C)C ZINC001725444085 1426105776 /nfs/dbraw/zinc/10/57/76/1426105776.db2.gz RULGSYOEUGFNCA-SJLPKXTDSA-N 2 2 348.535 3.002 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC001725446920 1426110754 /nfs/dbraw/zinc/11/07/54/1426110754.db2.gz KWELTIIBVKIAHD-CRAIPNDOSA-N 2 2 342.487 3.142 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001725612000 1426271665 /nfs/dbraw/zinc/27/16/65/1426271665.db2.gz ZYNHJVXIRRHGKR-PKOBYXMFSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001725612000 1426271666 /nfs/dbraw/zinc/27/16/66/1426271666.db2.gz ZYNHJVXIRRHGKR-PKOBYXMFSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001725612000 1426271668 /nfs/dbraw/zinc/27/16/68/1426271668.db2.gz ZYNHJVXIRRHGKR-PKOBYXMFSA-N 2 2 332.492 3.036 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001725612000 1426271673 /nfs/dbraw/zinc/27/16/73/1426271673.db2.gz ZYNHJVXIRRHGKR-PKOBYXMFSA-N 2 2 332.492 3.036 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001725667589 1426350756 /nfs/dbraw/zinc/35/07/56/1426350756.db2.gz YSVWRMXTUILSAH-OALUTQOASA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730218 1426398460 /nfs/dbraw/zinc/39/84/60/1426398460.db2.gz QKGOCSOBOXFIIS-QZTJIDSGSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730218 1426398466 /nfs/dbraw/zinc/39/84/66/1426398466.db2.gz QKGOCSOBOXFIIS-QZTJIDSGSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C(C)(C)C)n1cc[nH+]c1 ZINC001725749275 1426427579 /nfs/dbraw/zinc/42/75/79/1426427579.db2.gz DUCZHUARTCACJJ-ZBFHGGJFSA-N 2 2 348.516 3.216 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001725770529 1426454591 /nfs/dbraw/zinc/45/45/91/1426454591.db2.gz DAYXFUCADOGMGT-HNNXBMFYSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001731399390 1427359152 /nfs/dbraw/zinc/35/91/52/1427359152.db2.gz LVGRQVNWLBSVQW-INIZCTEOSA-N 2 2 342.487 3.259 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535198 1427530568 /nfs/dbraw/zinc/53/05/68/1427530568.db2.gz BGDXJLWNSZSPJY-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535198 1427530575 /nfs/dbraw/zinc/53/05/75/1427530575.db2.gz BGDXJLWNSZSPJY-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731543402 1427556627 /nfs/dbraw/zinc/55/66/27/1427556627.db2.gz LHIFQUHLXSINFZ-JTDRTSHGSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731543402 1427556631 /nfs/dbraw/zinc/55/66/31/1427556631.db2.gz LHIFQUHLXSINFZ-JTDRTSHGSA-N 2 2 332.492 3.161 10 0 EGAELP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001731570517 1427611722 /nfs/dbraw/zinc/61/17/22/1427611722.db2.gz WKDOXQRCRBGCED-RWBZWWBESA-N 2 2 342.487 3.319 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001731661480 1427713274 /nfs/dbraw/zinc/71/32/74/1427713274.db2.gz CVAMSQAUKFVDOM-INIZCTEOSA-N 2 2 340.471 3.195 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC3CCCCC3)ccn12 ZINC001733974958 1437774872 /nfs/dbraw/zinc/77/48/72/1437774872.db2.gz XKBPYTCJMZTFDX-CVEARBPZSA-N 2 2 342.487 3.319 10 0 EGAELP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090255 168309909 /nfs/dbraw/zinc/30/99/09/168309909.db2.gz QSJYOPQBXZPOGW-LLVKDONJSA-N 2 2 327.762 3.312 10 0 EGAELP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090255 168309911 /nfs/dbraw/zinc/30/99/11/168309911.db2.gz QSJYOPQBXZPOGW-LLVKDONJSA-N 2 2 327.762 3.312 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC000368271833 168336040 /nfs/dbraw/zinc/33/60/40/168336040.db2.gz CIKYYEYZDHQCSN-UAPYVXQJSA-N 2 2 344.499 3.248 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349601172 282251715 /nfs/dbraw/zinc/25/17/15/282251715.db2.gz RQPMAWCZUXDQFI-UWJYYQICSA-N 2 2 349.482 3.357 10 0 EGAELP C[N@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000183939885 529984140 /nfs/dbraw/zinc/98/41/40/529984140.db2.gz ISCNKWVHXJICGB-UHFFFAOYSA-N 2 2 348.441 3.417 10 0 EGAELP C[N@@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000183939885 529984141 /nfs/dbraw/zinc/98/41/41/529984141.db2.gz ISCNKWVHXJICGB-UHFFFAOYSA-N 2 2 348.441 3.417 10 0 EGAELP C[N@H+](Cc1cnn2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179461162 530018869 /nfs/dbraw/zinc/01/88/69/530018869.db2.gz SIWQDDPINFUYLA-UHFFFAOYSA-N 2 2 334.467 3.431 10 0 EGAELP C[N@@H+](Cc1cnn2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179461162 530018870 /nfs/dbraw/zinc/01/88/70/530018870.db2.gz SIWQDDPINFUYLA-UHFFFAOYSA-N 2 2 334.467 3.431 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000178308657 232131929 /nfs/dbraw/zinc/13/19/29/232131929.db2.gz JVHUEQTXCNSGLC-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000178308657 232131932 /nfs/dbraw/zinc/13/19/32/232131932.db2.gz JVHUEQTXCNSGLC-MRXNPFEDSA-N 2 2 346.862 3.256 10 0 EGAELP CC[C@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042578792 213514752 /nfs/dbraw/zinc/51/47/52/213514752.db2.gz FCCIFJOGARIAMR-JQWIXIFHSA-N 2 2 335.311 3.257 10 0 EGAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042578792 213514756 /nfs/dbraw/zinc/51/47/56/213514756.db2.gz FCCIFJOGARIAMR-JQWIXIFHSA-N 2 2 335.311 3.257 10 0 EGAELP C[N@H+](Cc1cc(Br)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746529 213382055 /nfs/dbraw/zinc/38/20/55/213382055.db2.gz LRETXXRHLSTWRP-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP C[N@@H+](Cc1cc(Br)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746529 213382058 /nfs/dbraw/zinc/38/20/58/213382058.db2.gz LRETXXRHLSTWRP-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070456482 215694272 /nfs/dbraw/zinc/69/42/72/215694272.db2.gz NAVBVOVFZMBPLO-INIZCTEOSA-N 2 2 326.444 3.269 10 0 EGAELP C[N@H+](CCc1ccccn1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019843894 212075344 /nfs/dbraw/zinc/07/53/44/212075344.db2.gz YMVBZILNCRTKRZ-MRXNPFEDSA-N 2 2 334.261 3.018 10 0 EGAELP C[N@@H+](CCc1ccccn1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019843894 212075347 /nfs/dbraw/zinc/07/53/47/212075347.db2.gz YMVBZILNCRTKRZ-MRXNPFEDSA-N 2 2 334.261 3.018 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812380 218170143 /nfs/dbraw/zinc/17/01/43/218170143.db2.gz VWZXFSFPLSRBOR-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812380 218170145 /nfs/dbraw/zinc/17/01/45/218170145.db2.gz VWZXFSFPLSRBOR-HNNXBMFYSA-N 2 2 327.428 3.033 10 0 EGAELP Cc1cnc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000095407306 218344057 /nfs/dbraw/zinc/34/40/57/218344057.db2.gz SRCIWFQOCJREBU-UHFFFAOYSA-N 2 2 343.475 3.306 10 0 EGAELP Cc1cnc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000095407306 218344058 /nfs/dbraw/zinc/34/40/58/218344058.db2.gz SRCIWFQOCJREBU-UHFFFAOYSA-N 2 2 343.475 3.306 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008124 285029880 /nfs/dbraw/zinc/02/98/80/285029880.db2.gz JUTGCIPLWBWTHZ-MJGOQNOKSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000361008124 285029883 /nfs/dbraw/zinc/02/98/83/285029883.db2.gz JUTGCIPLWBWTHZ-MJGOQNOKSA-N 2 2 332.488 3.218 10 0 EGAELP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000190330628 533367721 /nfs/dbraw/zinc/36/77/21/533367721.db2.gz NOLCXZMPQZPOJB-MRXNPFEDSA-N 2 2 341.455 3.456 10 0 EGAELP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000341194270 533393323 /nfs/dbraw/zinc/39/33/23/533393323.db2.gz SIVMRBYIQKDAKF-HMMFXLPYSA-N 2 2 342.462 3.026 10 0 EGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567596 141015902 /nfs/dbraw/zinc/01/59/02/141015902.db2.gz XRNBPBNCEAYIOW-ABSDTBQOSA-N 3 2 333.520 3.006 10 0 EGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567596 141015905 /nfs/dbraw/zinc/01/59/05/141015905.db2.gz XRNBPBNCEAYIOW-ABSDTBQOSA-N 3 2 333.520 3.006 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246722724 141028894 /nfs/dbraw/zinc/02/88/94/141028894.db2.gz DFOOBDVBCXADJF-KSZLIROESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246722724 141028900 /nfs/dbraw/zinc/02/89/00/141028900.db2.gz DFOOBDVBCXADJF-KSZLIROESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246722724 141028909 /nfs/dbraw/zinc/02/89/09/141028909.db2.gz DFOOBDVBCXADJF-KSZLIROESA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246722724 141028912 /nfs/dbraw/zinc/02/89/12/141028912.db2.gz DFOOBDVBCXADJF-KSZLIROESA-N 2 2 343.515 3.016 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246859428 141040176 /nfs/dbraw/zinc/04/01/76/141040176.db2.gz LAQLZOSJJYJNLF-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246859428 141040177 /nfs/dbraw/zinc/04/01/77/141040177.db2.gz LAQLZOSJJYJNLF-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246859428 141040178 /nfs/dbraw/zinc/04/01/78/141040178.db2.gz LAQLZOSJJYJNLF-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246859428 141040179 /nfs/dbraw/zinc/04/01/79/141040179.db2.gz LAQLZOSJJYJNLF-PKOBYXMFSA-N 2 2 329.488 3.165 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246894688 141042389 /nfs/dbraw/zinc/04/23/89/141042389.db2.gz JFKWTSYEDQZZDH-YJBOKZPZSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246894688 141042391 /nfs/dbraw/zinc/04/23/91/141042391.db2.gz JFKWTSYEDQZZDH-YJBOKZPZSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246925836 141044484 /nfs/dbraw/zinc/04/44/84/141044484.db2.gz SUUAJXHSLBOUQN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246925836 141044485 /nfs/dbraw/zinc/04/44/85/141044485.db2.gz SUUAJXHSLBOUQN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246925836 141044486 /nfs/dbraw/zinc/04/44/86/141044486.db2.gz SUUAJXHSLBOUQN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246925836 141044487 /nfs/dbraw/zinc/04/44/87/141044487.db2.gz SUUAJXHSLBOUQN-PXNSSMCTSA-N 2 2 341.499 3.191 10 0 EGAELP c1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000246941326 141044844 /nfs/dbraw/zinc/04/48/44/141044844.db2.gz UERTZCJBSVQCMS-BBRMVZONSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000246941326 141044845 /nfs/dbraw/zinc/04/48/45/141044845.db2.gz UERTZCJBSVQCMS-BBRMVZONSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cs1 ZINC000246941326 141044846 /nfs/dbraw/zinc/04/48/46/141044846.db2.gz UERTZCJBSVQCMS-BBRMVZONSA-N 2 2 344.484 3.247 10 0 EGAELP c1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cs1 ZINC000246941326 141044847 /nfs/dbraw/zinc/04/48/47/141044847.db2.gz UERTZCJBSVQCMS-BBRMVZONSA-N 2 2 344.484 3.247 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000353019249 141286601 /nfs/dbraw/zinc/28/66/01/141286601.db2.gz FYGYZTYLBYQUOZ-OSPHWJPCSA-N 2 2 343.496 3.061 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000353019249 141286603 /nfs/dbraw/zinc/28/66/03/141286603.db2.gz FYGYZTYLBYQUOZ-OSPHWJPCSA-N 2 2 343.496 3.061 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299801 /nfs/dbraw/zinc/29/98/01/141299801.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299803 /nfs/dbraw/zinc/29/98/03/141299803.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299805 /nfs/dbraw/zinc/29/98/05/141299805.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299807 /nfs/dbraw/zinc/29/98/07/141299807.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 2 2 331.504 3.269 10 0 EGAELP Cc1cc(C[NH+]2CCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)no1 ZINC000185254214 144108772 /nfs/dbraw/zinc/10/87/72/144108772.db2.gz HNEQMSLFYPRRMX-UHFFFAOYSA-N 2 2 336.439 3.470 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2ccnc(OC(F)F)c2)n1-c1ccccc1 ZINC000341269245 155221621 /nfs/dbraw/zinc/22/16/21/155221621.db2.gz NKYRLJFGGNWNGJ-UHFFFAOYSA-N 2 2 344.365 3.467 10 0 EGAELP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000188737748 153030919 /nfs/dbraw/zinc/03/09/19/153030919.db2.gz DJQXVJQEPTVSIT-UHFFFAOYSA-N 2 2 345.402 3.407 10 0 EGAELP c1c[nH+]c([C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000195135183 153383381 /nfs/dbraw/zinc/38/33/81/153383381.db2.gz ZHNCIVDFVWTQCM-QUCCMNQESA-N 2 2 347.466 3.006 10 0 EGAELP c1c[nH+]c([C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000195135183 153383386 /nfs/dbraw/zinc/38/33/86/153383386.db2.gz ZHNCIVDFVWTQCM-QUCCMNQESA-N 2 2 347.466 3.006 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643656 162018705 /nfs/dbraw/zinc/01/87/05/162018705.db2.gz OWIZEMZZENZDEB-OXQOHEQNSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643656 162018709 /nfs/dbraw/zinc/01/87/09/162018709.db2.gz OWIZEMZZENZDEB-OXQOHEQNSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643656 162018712 /nfs/dbraw/zinc/01/87/12/162018712.db2.gz OWIZEMZZENZDEB-OXQOHEQNSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643656 162018716 /nfs/dbraw/zinc/01/87/16/162018716.db2.gz OWIZEMZZENZDEB-OXQOHEQNSA-N 2 2 340.515 3.463 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000109754162 162111557 /nfs/dbraw/zinc/11/15/57/162111557.db2.gz PICUGXUQABQPHI-FQEVSTJZSA-N 2 2 345.531 3.076 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000109754162 162111559 /nfs/dbraw/zinc/11/15/59/162111559.db2.gz PICUGXUQABQPHI-FQEVSTJZSA-N 2 2 345.531 3.076 10 0 EGAELP C[NH+](C)Cc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000345720257 164251795 /nfs/dbraw/zinc/25/17/95/164251795.db2.gz ZKNBAEUWMJDKEM-UHFFFAOYSA-N 2 2 346.394 3.046 10 0 EGAELP Cc1ccc(C[N@H+](CCO)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346306186 164366961 /nfs/dbraw/zinc/36/69/61/164366961.db2.gz XGYQVBGNZQOJGC-UHFFFAOYSA-N 2 2 327.453 3.237 10 0 EGAELP Cc1ccc(C[N@@H+](CCO)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346306186 164366963 /nfs/dbraw/zinc/36/69/63/164366963.db2.gz XGYQVBGNZQOJGC-UHFFFAOYSA-N 2 2 327.453 3.237 10 0 EGAELP [NH3+]CCCN(Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC000346366894 164375306 /nfs/dbraw/zinc/37/53/06/164375306.db2.gz QESULXXGBPTSPX-UHFFFAOYSA-N 2 2 330.432 3.428 10 0 EGAELP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254032 287073758 /nfs/dbraw/zinc/07/37/58/287073758.db2.gz GEJMVOLOQVEVHJ-BZUAXINKSA-N 2 2 328.460 3.202 10 0 EGAELP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352256170 165312892 /nfs/dbraw/zinc/31/28/92/165312892.db2.gz GFRYQEVXTIGJIW-LBPRGKRZSA-N 2 2 335.473 3.073 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCOC1 ZINC000355285736 166154827 /nfs/dbraw/zinc/15/48/27/166154827.db2.gz DZVRZJFVQXUJRM-LOCSVTFISA-N 2 2 334.426 3.196 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355590302 166253218 /nfs/dbraw/zinc/25/32/18/166253218.db2.gz ZUNKJWNDQJGLCM-UHFFFAOYSA-N 2 2 328.485 3.312 10 0 EGAELP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(Cl)c1OC ZINC000355601660 166258206 /nfs/dbraw/zinc/25/82/06/166258206.db2.gz STCISZYDTDEETP-UHFFFAOYSA-N 2 2 338.879 3.464 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000355664878 166277893 /nfs/dbraw/zinc/27/78/93/166277893.db2.gz WNBLKPKSSVEXSA-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000355666025 166278639 /nfs/dbraw/zinc/27/86/39/166278639.db2.gz YBRGMNNTACRVTG-HOCLYGCPSA-N 2 2 327.428 3.129 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(Cl)c1OC ZINC000368081374 168308663 /nfs/dbraw/zinc/30/86/63/168308663.db2.gz MMRJJDKKWBMDHV-LBPRGKRZSA-N 2 2 335.835 3.118 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(Cl)c1OC ZINC000368081374 168308665 /nfs/dbraw/zinc/30/86/65/168308665.db2.gz MMRJJDKKWBMDHV-LBPRGKRZSA-N 2 2 335.835 3.118 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123981499 222361261 /nfs/dbraw/zinc/36/12/61/222361261.db2.gz MVLYXGRGFOKNNY-SJORKVTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123981499 222361263 /nfs/dbraw/zinc/36/12/63/222361263.db2.gz MVLYXGRGFOKNNY-SJORKVTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123981499 222361265 /nfs/dbraw/zinc/36/12/65/222361265.db2.gz MVLYXGRGFOKNNY-SJORKVTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123981499 222361268 /nfs/dbraw/zinc/36/12/68/222361268.db2.gz MVLYXGRGFOKNNY-SJORKVTESA-N 2 2 331.504 3.471 10 0 EGAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176344760 265173215 /nfs/dbraw/zinc/17/32/15/265173215.db2.gz SFLPTCBXXQWHAW-KRWDZBQOSA-N 2 2 341.459 3.035 10 0 EGAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176344760 265173220 /nfs/dbraw/zinc/17/32/20/265173220.db2.gz SFLPTCBXXQWHAW-KRWDZBQOSA-N 2 2 341.459 3.035 10 0 EGAELP CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000176923707 265216106 /nfs/dbraw/zinc/21/61/06/265216106.db2.gz DIUOPAVRJKSYND-UHFFFAOYSA-N 2 2 333.867 3.054 10 0 EGAELP CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000176923707 265216108 /nfs/dbraw/zinc/21/61/08/265216108.db2.gz DIUOPAVRJKSYND-UHFFFAOYSA-N 2 2 333.867 3.054 10 0 EGAELP CC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647143 265695345 /nfs/dbraw/zinc/69/53/45/265695345.db2.gz ZJAFPZVJSRJPSM-JKSUJKDBSA-N 2 2 336.480 3.041 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC000195277379 266171041 /nfs/dbraw/zinc/17/10/41/266171041.db2.gz UDNQWWGWPPAJAJ-QGZVFWFLSA-N 2 2 336.439 3.177 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC000195277379 266171042 /nfs/dbraw/zinc/17/10/42/266171042.db2.gz UDNQWWGWPPAJAJ-QGZVFWFLSA-N 2 2 336.439 3.177 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000195277379 266171045 /nfs/dbraw/zinc/17/10/45/266171045.db2.gz UDNQWWGWPPAJAJ-QGZVFWFLSA-N 2 2 336.439 3.177 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000195277379 266171048 /nfs/dbraw/zinc/17/10/48/266171048.db2.gz UDNQWWGWPPAJAJ-QGZVFWFLSA-N 2 2 336.439 3.177 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000274700885 267274342 /nfs/dbraw/zinc/27/43/42/267274342.db2.gz XVKYJTYUSZJNTF-BHIYHBOVSA-N 2 2 328.456 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000274700885 267274345 /nfs/dbraw/zinc/27/43/45/267274345.db2.gz XVKYJTYUSZJNTF-BHIYHBOVSA-N 2 2 328.456 3.203 10 0 EGAELP Brc1cccc2c(N3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000338717276 273475741 /nfs/dbraw/zinc/47/57/41/273475741.db2.gz IXDRGOPEFVOIMJ-UHFFFAOYSA-N 2 2 332.245 3.282 10 0 EGAELP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278836775 275279502 /nfs/dbraw/zinc/27/95/02/275279502.db2.gz PGQIVHQKJNIKBN-MRXNPFEDSA-N 2 2 325.456 3.466 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000284372657 275795493 /nfs/dbraw/zinc/79/54/93/275795493.db2.gz OHJNGLOAHSNUSB-UTRMSSBJSA-N 2 2 334.529 3.214 10 0 EGAELP CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074173991 307391653 /nfs/dbraw/zinc/39/16/53/307391653.db2.gz ZCOBELSDEBZVRT-MRXNPFEDSA-N 2 2 340.471 3.170 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)c1 ZINC000414129356 309062601 /nfs/dbraw/zinc/06/26/01/309062601.db2.gz USDCXKDYKPIXBG-HNNXBMFYSA-N 2 2 338.224 3.141 10 0 EGAELP OC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414347058 309074250 /nfs/dbraw/zinc/07/42/50/309074250.db2.gz VKTFZLAEGJPOEM-CRAIPNDOSA-N 2 2 336.907 3.445 10 0 EGAELP OC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414327522 309073089 /nfs/dbraw/zinc/07/30/89/309073089.db2.gz BIPVCIQOPHOBPX-LPHOPBHVSA-N 2 2 336.907 3.445 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255414659 308049851 /nfs/dbraw/zinc/04/98/51/308049851.db2.gz BDISNDZHTMGOMQ-FBQMEGEOSA-N 2 2 347.934 3.455 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255414659 308049853 /nfs/dbraw/zinc/04/98/53/308049853.db2.gz BDISNDZHTMGOMQ-FBQMEGEOSA-N 2 2 347.934 3.455 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394901 309077499 /nfs/dbraw/zinc/07/74/99/309077499.db2.gz JBTGEPNBHWPBQQ-MGPUTAFESA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394901 309077500 /nfs/dbraw/zinc/07/75/00/309077500.db2.gz JBTGEPNBHWPBQQ-MGPUTAFESA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394901 309077501 /nfs/dbraw/zinc/07/75/01/309077501.db2.gz JBTGEPNBHWPBQQ-MGPUTAFESA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414394901 309077502 /nfs/dbraw/zinc/07/75/02/309077502.db2.gz JBTGEPNBHWPBQQ-MGPUTAFESA-N 2 2 344.478 3.482 10 0 EGAELP Fc1ccc(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000414593343 309091108 /nfs/dbraw/zinc/09/11/08/309091108.db2.gz QWOFXASAKCDSKY-HNNXBMFYSA-N 2 2 342.443 3.441 10 0 EGAELP c1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(NC2CC2)[nH+]1 ZINC000413116829 309016896 /nfs/dbraw/zinc/01/68/96/309016896.db2.gz HXUNBSWQMOEVRP-MRXNPFEDSA-N 2 2 329.492 3.143 10 0 EGAELP c1nc(NC2CC2)cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000413116829 309016897 /nfs/dbraw/zinc/01/68/97/309016897.db2.gz HXUNBSWQMOEVRP-MRXNPFEDSA-N 2 2 329.492 3.143 10 0 EGAELP CCCn1c(C[NH2+]CCC[NH2+]Cc2cccnc2)nc2ccccc21 ZINC000414878963 309106783 /nfs/dbraw/zinc/10/67/83/309106783.db2.gz OCNWEJUFFMRPNA-UHFFFAOYSA-N 2 2 337.471 3.111 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415111584 309121051 /nfs/dbraw/zinc/12/10/51/309121051.db2.gz RGHBYRORLXEUFG-CTNGQTDRSA-N 3 2 341.474 3.470 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000415295159 309130198 /nfs/dbraw/zinc/13/01/98/309130198.db2.gz PUNDACKPZAASMK-UONOGXRCSA-N 2 2 329.448 3.207 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423063524 309383907 /nfs/dbraw/zinc/38/39/07/309383907.db2.gz OXWPVRXRYUISLF-KBPBESRZSA-N 2 2 327.266 3.207 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561665 309361672 /nfs/dbraw/zinc/36/16/72/309361672.db2.gz MRAORMOFXMMNNG-UHFFFAOYSA-N 2 2 338.499 3.185 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780532 309367941 /nfs/dbraw/zinc/36/79/41/309367941.db2.gz HQZFKDDCTMZHKD-VQTJNVASSA-N 2 2 328.431 3.460 10 0 EGAELP c1cc(OC2CCCCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422855119 309372243 /nfs/dbraw/zinc/37/22/43/309372243.db2.gz UWFJEKIRXXTFLQ-NHCUHLMSSA-N 2 2 344.499 3.255 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1c[nH+]ccc1N ZINC000422878450 309373464 /nfs/dbraw/zinc/37/34/64/309373464.db2.gz JEKGVSWMDVKZHQ-LLVKDONJSA-N 2 2 325.334 3.286 10 0 EGAELP COc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C(F)(F)F)c1 ZINC000422884873 309373978 /nfs/dbraw/zinc/37/39/78/309373978.db2.gz XUVOSLCWCKSYPT-SNVBAGLBSA-N 2 2 325.334 3.372 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2sc(C)nc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422888352 309374322 /nfs/dbraw/zinc/37/43/22/309374322.db2.gz MWWGFDKCRSBSCS-MJGOQNOKSA-N 2 2 345.512 3.394 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000422933298 309376739 /nfs/dbraw/zinc/37/67/39/309376739.db2.gz DHEGPJDKQVTSOF-UZLBHIALSA-N 2 2 334.467 3.172 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOC2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422947162 309377581 /nfs/dbraw/zinc/37/75/81/309377581.db2.gz PXVCFNPHLPTWFD-WOJBJXKFSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2O)[C@H]2CCC[NH2+]2)cc1 ZINC000422970488 309379036 /nfs/dbraw/zinc/37/90/36/309379036.db2.gz GIYDEYFKQKCBCA-UYAOXDASSA-N 2 2 326.440 3.026 10 0 EGAELP CCCC(O)(CCC)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422981585 309379249 /nfs/dbraw/zinc/37/92/49/309379249.db2.gz SZOJZZSISGHUNX-RBUKOAKNSA-N 2 2 334.504 3.409 10 0 EGAELP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1F ZINC000423044614 309382909 /nfs/dbraw/zinc/38/29/09/309382909.db2.gz BRLSEFVVOILEFU-NVXWUHKLSA-N 2 2 340.870 3.113 10 0 EGAELP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423273867 309393611 /nfs/dbraw/zinc/39/36/11/309393611.db2.gz LAJHJFGWUDWBPB-KBPBESRZSA-N 2 2 327.266 3.236 10 0 EGAELP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000423324320 309395087 /nfs/dbraw/zinc/39/50/87/309395087.db2.gz KOUDLTRMFWPSKY-HTQZYQBOSA-N 2 2 336.071 3.209 10 0 EGAELP COC(=O)CC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000424306439 309437610 /nfs/dbraw/zinc/43/76/10/309437610.db2.gz VHXJRPJQTHDNGZ-TVPLGVNVSA-N 2 2 341.455 3.173 10 0 EGAELP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000436317041 309752533 /nfs/dbraw/zinc/75/25/33/309752533.db2.gz UJLNEKCAEZTLFR-LJQANCHMSA-N 2 2 336.439 3.435 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC000450896684 310148394 /nfs/dbraw/zinc/14/83/94/310148394.db2.gz NZSGJIDPWWVBBE-UHFFFAOYSA-N 2 2 347.846 3.074 10 0 EGAELP COC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075850 310210428 /nfs/dbraw/zinc/21/04/28/310210428.db2.gz BFKBHESUZUDYLZ-LEWJYISDSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075850 310210429 /nfs/dbraw/zinc/21/04/29/310210429.db2.gz BFKBHESUZUDYLZ-LEWJYISDSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075850 310210430 /nfs/dbraw/zinc/21/04/30/310210430.db2.gz BFKBHESUZUDYLZ-LEWJYISDSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075850 310210431 /nfs/dbraw/zinc/21/04/31/310210431.db2.gz BFKBHESUZUDYLZ-LEWJYISDSA-N 2 2 346.515 3.026 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453197817 310263633 /nfs/dbraw/zinc/26/36/33/310263633.db2.gz GRRNZMNMSMSPCP-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453197817 310263634 /nfs/dbraw/zinc/26/36/34/310263634.db2.gz GRRNZMNMSMSPCP-UYAOXDASSA-N 2 2 346.515 3.215 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000453232113 310265662 /nfs/dbraw/zinc/26/56/62/310265662.db2.gz JCGAFKIIEJYLAT-JLSDUUJJSA-N 3 2 344.890 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000453232113 310265663 /nfs/dbraw/zinc/26/56/63/310265663.db2.gz JCGAFKIIEJYLAT-JLSDUUJJSA-N 3 2 344.890 3.488 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672702 310567938 /nfs/dbraw/zinc/56/79/38/310567938.db2.gz XYTQMLGDGZMXCR-LLVKDONJSA-N 2 2 340.240 3.085 10 0 EGAELP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)c(C)c2c1 ZINC000484126119 310962373 /nfs/dbraw/zinc/96/23/73/310962373.db2.gz FBWPVKRAZACAJO-ZBFHGGJFSA-N 2 2 346.471 3.369 10 0 EGAELP COc1c(C)cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1C ZINC000510535696 312143140 /nfs/dbraw/zinc/14/31/40/312143140.db2.gz VHCIHLVMOSWNPH-UHFFFAOYSA-N 2 2 325.456 3.338 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)ccn12 ZINC000516313659 312319991 /nfs/dbraw/zinc/31/99/91/312319991.db2.gz VLXKUJIIOPQSMA-UHFFFAOYSA-N 2 2 334.423 3.491 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000529664574 313380628 /nfs/dbraw/zinc/38/06/28/313380628.db2.gz RLDISLWGDIWBIB-UHFFFAOYSA-N 2 2 344.499 3.162 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000529668271 313382288 /nfs/dbraw/zinc/38/22/88/313382288.db2.gz FRRITXOOTCVGAP-YLJYHZDGSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000529668271 313382292 /nfs/dbraw/zinc/38/22/92/313382292.db2.gz FRRITXOOTCVGAP-YLJYHZDGSA-N 2 2 343.515 3.018 10 0 EGAELP c1[nH+]c2n(c1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CCCC2 ZINC000551571639 315159216 /nfs/dbraw/zinc/15/92/16/315159216.db2.gz OJWNIUDLKWDUMG-LPHOPBHVSA-N 2 2 325.456 3.477 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000566150335 316427107 /nfs/dbraw/zinc/42/71/07/316427107.db2.gz ZFFQIUIUZFCFGL-FXAWDEMLSA-N 2 2 338.499 3.005 10 0 EGAELP COC(=O)[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000570217198 317023668 /nfs/dbraw/zinc/02/36/68/317023668.db2.gz JFLHWBBIDVMBTC-GOSISDBHSA-N 2 2 331.460 3.302 10 0 EGAELP CCC(CC)(C[NH2+]C[C@H](O)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000572029040 317281119 /nfs/dbraw/zinc/28/11/19/317281119.db2.gz NWFNJEISJGRUSD-HIFRSBDPSA-N 2 2 332.410 3.409 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc3cc(Br)ccc3o2)c1 ZINC000573579005 317505668 /nfs/dbraw/zinc/50/56/68/317505668.db2.gz KSLIJKDRILBBJT-UHFFFAOYSA-N 2 2 334.217 3.261 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962268 455616320 /nfs/dbraw/zinc/61/63/20/455616320.db2.gz ILYGGTDYOKWWKO-TZMCWYRMSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962268 455616324 /nfs/dbraw/zinc/61/63/24/455616324.db2.gz ILYGGTDYOKWWKO-TZMCWYRMSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962268 455616327 /nfs/dbraw/zinc/61/63/27/455616327.db2.gz ILYGGTDYOKWWKO-TZMCWYRMSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000283962268 455616330 /nfs/dbraw/zinc/61/63/30/455616330.db2.gz ILYGGTDYOKWWKO-TZMCWYRMSA-N 2 2 326.868 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397985 324020627 /nfs/dbraw/zinc/02/06/27/324020627.db2.gz AWVUCBGJUVDJCE-XLIONFOSSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397985 324020631 /nfs/dbraw/zinc/02/06/31/324020631.db2.gz AWVUCBGJUVDJCE-XLIONFOSSA-N 2 2 328.500 3.446 10 0 EGAELP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000579255612 325086232 /nfs/dbraw/zinc/08/62/32/325086232.db2.gz LDJVGIHRXOMFPM-UHFFFAOYSA-N 2 2 340.471 3.335 10 0 EGAELP CC1=C[C@@H](C)C[C@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000579411777 325104715 /nfs/dbraw/zinc/10/47/15/325104715.db2.gz AEXPYVVUULMMFX-AEFFLSMTSA-N 2 2 342.531 3.438 10 0 EGAELP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000580223171 325221281 /nfs/dbraw/zinc/22/12/81/325221281.db2.gz AWNTYCYHUOYMAV-LEWJYISDSA-N 2 2 340.467 3.499 10 0 EGAELP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000580223171 325221282 /nfs/dbraw/zinc/22/12/82/325221282.db2.gz AWNTYCYHUOYMAV-LEWJYISDSA-N 2 2 340.467 3.499 10 0 EGAELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000581880087 325395736 /nfs/dbraw/zinc/39/57/36/325395736.db2.gz QNUMFTXGZWFWRU-LJQANCHMSA-N 2 2 328.431 3.037 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000581880087 325395739 /nfs/dbraw/zinc/39/57/39/325395739.db2.gz QNUMFTXGZWFWRU-LJQANCHMSA-N 2 2 328.431 3.037 10 0 EGAELP OC[C@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCc2ccccc21 ZINC000583242095 325506783 /nfs/dbraw/zinc/50/67/83/325506783.db2.gz MOEIQPVMGASHHF-LJQANCHMSA-N 2 2 339.464 3.248 10 0 EGAELP Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180665813 455222940 /nfs/dbraw/zinc/22/29/40/455222940.db2.gz LLKUYNLYYKQCKC-KRWDZBQOSA-N 2 2 348.450 3.148 10 0 EGAELP CNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189909874 455252725 /nfs/dbraw/zinc/25/27/25/455252725.db2.gz MSGMPWZMWPHRIA-OAHLLOKOSA-N 2 2 334.423 3.083 10 0 EGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000242242317 455270740 /nfs/dbraw/zinc/27/07/40/455270740.db2.gz XTUJYEFVFLSMLD-VAMGGRTRSA-N 2 2 344.474 3.337 10 0 EGAELP CCn1c(C)nnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158918186 455337765 /nfs/dbraw/zinc/33/77/65/455337765.db2.gz LQHDCHUJQFQIKB-MRXNPFEDSA-N 2 2 333.524 3.083 10 0 EGAELP CCn1c(C)nnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158918186 455337771 /nfs/dbraw/zinc/33/77/71/455337771.db2.gz LQHDCHUJQFQIKB-MRXNPFEDSA-N 2 2 333.524 3.083 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC000631890040 460588767 /nfs/dbraw/zinc/58/87/67/460588767.db2.gz LXEIYDQOMDBMDO-CTNGQTDRSA-N 2 2 337.467 3.235 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC000631890040 460588776 /nfs/dbraw/zinc/58/87/76/460588776.db2.gz LXEIYDQOMDBMDO-CTNGQTDRSA-N 2 2 337.467 3.235 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573516 460619503 /nfs/dbraw/zinc/61/95/03/460619503.db2.gz LLATVYORUBSINA-SMDDNHRTSA-N 2 2 331.287 3.489 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573516 460619509 /nfs/dbraw/zinc/61/95/09/460619509.db2.gz LLATVYORUBSINA-SMDDNHRTSA-N 2 2 331.287 3.489 10 0 EGAELP Cc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)cc(=O)oc2c1C ZINC000066533849 453850571 /nfs/dbraw/zinc/85/05/71/453850571.db2.gz BPJORSGDVVCRSQ-UHFFFAOYSA-N 2 2 340.467 3.470 10 0 EGAELP COc1cc(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)ccc1O ZINC000084040691 453966208 /nfs/dbraw/zinc/96/62/08/453966208.db2.gz JGOXKSIMMDWXDS-UHFFFAOYSA-N 2 2 337.423 3.227 10 0 EGAELP CCn1cc[nH+]c1CNc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000089310023 454135301 /nfs/dbraw/zinc/13/53/01/454135301.db2.gz PJZWLEKFVUKNPN-IYBDPMFKSA-N 2 2 328.460 3.124 10 0 EGAELP CCn1cc[nH+]c1CNc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000089310023 454135304 /nfs/dbraw/zinc/13/53/04/454135304.db2.gz PJZWLEKFVUKNPN-IYBDPMFKSA-N 2 2 328.460 3.124 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000246083280 455423596 /nfs/dbraw/zinc/42/35/96/455423596.db2.gz IBUWRFUGJDDGSL-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000246083280 455423598 /nfs/dbraw/zinc/42/35/98/455423598.db2.gz IBUWRFUGJDDGSL-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000246083280 455423601 /nfs/dbraw/zinc/42/36/01/455423601.db2.gz IBUWRFUGJDDGSL-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000246083280 455423602 /nfs/dbraw/zinc/42/36/02/455423602.db2.gz IBUWRFUGJDDGSL-KXBFYZLASA-N 2 2 330.472 3.153 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000090417347 454303286 /nfs/dbraw/zinc/30/32/86/454303286.db2.gz DBTLTLVSUFRGAS-GRDNDAEWSA-N 2 2 330.501 3.408 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000090417347 454303292 /nfs/dbraw/zinc/30/32/92/454303292.db2.gz DBTLTLVSUFRGAS-GRDNDAEWSA-N 2 2 330.501 3.408 10 0 EGAELP C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508786 454487847 /nfs/dbraw/zinc/48/78/47/454487847.db2.gz LTJBMFILWARCQL-AWEZNQCLSA-N 2 2 349.906 3.076 10 0 EGAELP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508786 454487851 /nfs/dbraw/zinc/48/78/51/454487851.db2.gz LTJBMFILWARCQL-AWEZNQCLSA-N 2 2 349.906 3.076 10 0 EGAELP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266780035 455452381 /nfs/dbraw/zinc/45/23/81/455452381.db2.gz UVTAVSADRUHRMW-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cnn1C(C)(C)C ZINC000191163679 455456018 /nfs/dbraw/zinc/45/60/18/455456018.db2.gz PBICCCSUKDTDDO-AWEZNQCLSA-N 2 2 338.459 3.378 10 0 EGAELP Cc1ccc2[nH]c(CC[N@H+]3CC=C(c4cnn(C)c4)CC3)[nH+]c2c1C ZINC000065404912 454561153 /nfs/dbraw/zinc/56/11/53/454561153.db2.gz YVRNTZWPRPTOFR-UHFFFAOYSA-N 2 2 335.455 3.245 10 0 EGAELP Cc1ccc2[nH]c(CC[N@@H+]3CC=C(c4cnn(C)c4)CC3)[nH+]c2c1C ZINC000065404912 454561160 /nfs/dbraw/zinc/56/11/60/454561160.db2.gz YVRNTZWPRPTOFR-UHFFFAOYSA-N 2 2 335.455 3.245 10 0 EGAELP Cc1ccc(C[N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000051119222 454609468 /nfs/dbraw/zinc/60/94/68/454609468.db2.gz NYJWJXDVRURRKL-INIZCTEOSA-N 2 2 327.428 3.047 10 0 EGAELP Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000051119222 454609472 /nfs/dbraw/zinc/60/94/72/454609472.db2.gz NYJWJXDVRURRKL-INIZCTEOSA-N 2 2 327.428 3.047 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000105897605 454666733 /nfs/dbraw/zinc/66/67/33/454666733.db2.gz LVFAEOZHHAEFFZ-BBRMVZONSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000105897605 454666737 /nfs/dbraw/zinc/66/67/37/454666737.db2.gz LVFAEOZHHAEFFZ-BBRMVZONSA-N 2 2 335.398 3.094 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)c1 ZINC000093079345 454679159 /nfs/dbraw/zinc/67/91/59/454679159.db2.gz UWGZHXIPWZGRFS-UHFFFAOYSA-N 2 2 346.500 3.067 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000106215272 454685486 /nfs/dbraw/zinc/68/54/86/454685486.db2.gz ZWZOIPLHBUKULO-LJQANCHMSA-N 3 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000106215272 454685490 /nfs/dbraw/zinc/68/54/90/454685490.db2.gz ZWZOIPLHBUKULO-LJQANCHMSA-N 3 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000106215272 454685495 /nfs/dbraw/zinc/68/54/95/454685495.db2.gz ZWZOIPLHBUKULO-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000106215272 454685498 /nfs/dbraw/zinc/68/54/98/454685498.db2.gz ZWZOIPLHBUKULO-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093645000 454727187 /nfs/dbraw/zinc/72/71/87/454727187.db2.gz WGHOHOYJHKVZME-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093645000 454727189 /nfs/dbraw/zinc/72/71/89/454727189.db2.gz WGHOHOYJHKVZME-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093645000 454727191 /nfs/dbraw/zinc/72/71/91/454727191.db2.gz WGHOHOYJHKVZME-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093645000 454727193 /nfs/dbraw/zinc/72/71/93/454727193.db2.gz WGHOHOYJHKVZME-JSGCOSHPSA-N 2 2 326.868 3.272 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022659 454746580 /nfs/dbraw/zinc/74/65/80/454746580.db2.gz HHWALQAQANTSQX-MLGOLLRUSA-N 2 2 332.448 3.109 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022659 454746585 /nfs/dbraw/zinc/74/65/85/454746585.db2.gz HHWALQAQANTSQX-MLGOLLRUSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022659 454746589 /nfs/dbraw/zinc/74/65/89/454746589.db2.gz HHWALQAQANTSQX-MLGOLLRUSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@H](C)C1 ZINC000162022659 454746593 /nfs/dbraw/zinc/74/65/93/454746593.db2.gz HHWALQAQANTSQX-MLGOLLRUSA-N 2 2 332.448 3.109 10 0 EGAELP COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000162578785 454785668 /nfs/dbraw/zinc/78/56/68/454785668.db2.gz LBGVDUALBXXPPF-LJQANCHMSA-N 2 2 337.467 3.206 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000139955994 454813885 /nfs/dbraw/zinc/81/38/85/454813885.db2.gz CPCWRYMOEJRPGE-UHFFFAOYSA-N 2 2 347.466 3.403 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@H+](Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000139955994 454813889 /nfs/dbraw/zinc/81/38/89/454813889.db2.gz CPCWRYMOEJRPGE-UHFFFAOYSA-N 2 2 347.466 3.403 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000163305158 454837720 /nfs/dbraw/zinc/83/77/20/454837720.db2.gz YDXZGPQMTSPEDK-WMLDXEAASA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000163305158 454837723 /nfs/dbraw/zinc/83/77/23/454837723.db2.gz YDXZGPQMTSPEDK-WMLDXEAASA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000163334662 454840237 /nfs/dbraw/zinc/84/02/37/454840237.db2.gz HJZJCYANPWKRBF-HIFRSBDPSA-N 2 2 326.481 3.309 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000163334662 454840240 /nfs/dbraw/zinc/84/02/40/454840240.db2.gz HJZJCYANPWKRBF-HIFRSBDPSA-N 2 2 326.481 3.309 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000163458250 454848687 /nfs/dbraw/zinc/84/86/87/454848687.db2.gz WUFHMKGNWPVTKZ-KRWDZBQOSA-N 2 2 342.491 3.127 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000163458250 454848695 /nfs/dbraw/zinc/84/86/95/454848695.db2.gz WUFHMKGNWPVTKZ-KRWDZBQOSA-N 2 2 342.491 3.127 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000113323933 454923313 /nfs/dbraw/zinc/92/33/13/454923313.db2.gz YZKKLRXHLZZUTN-MRXNPFEDSA-N 2 2 345.512 3.462 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000113323933 454923316 /nfs/dbraw/zinc/92/33/16/454923316.db2.gz YZKKLRXHLZZUTN-MRXNPFEDSA-N 2 2 345.512 3.462 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156543796 455131298 /nfs/dbraw/zinc/13/12/98/455131298.db2.gz DJSLLUHBKWITAN-KVSKMBFKSA-N 2 2 340.471 3.410 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156543796 455131300 /nfs/dbraw/zinc/13/13/00/455131300.db2.gz DJSLLUHBKWITAN-KVSKMBFKSA-N 2 2 340.471 3.410 10 0 EGAELP COc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180107015 455133105 /nfs/dbraw/zinc/13/31/05/455133105.db2.gz RTRGOLKNGUYXBW-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP COc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180107015 455133107 /nfs/dbraw/zinc/13/31/07/455133107.db2.gz RTRGOLKNGUYXBW-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP FC(F)(F)c1cccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182813605 455170317 /nfs/dbraw/zinc/17/03/17/455170317.db2.gz QLGBFCWTOICIDE-INIZCTEOSA-N 2 2 339.361 3.366 10 0 EGAELP FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182813605 455170322 /nfs/dbraw/zinc/17/03/22/455170322.db2.gz QLGBFCWTOICIDE-INIZCTEOSA-N 2 2 339.361 3.366 10 0 EGAELP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530915 455303755 /nfs/dbraw/zinc/30/37/55/455303755.db2.gz RLJIPYGNQJBSJW-DLBZAZTESA-N 2 2 349.563 3.124 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000181283136 455312200 /nfs/dbraw/zinc/31/22/00/455312200.db2.gz DJWIHJDPBOUCFO-ZGVCEGORSA-N 2 2 341.499 3.137 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000181283136 455312204 /nfs/dbraw/zinc/31/22/04/455312204.db2.gz DJWIHJDPBOUCFO-ZGVCEGORSA-N 2 2 341.499 3.137 10 0 EGAELP CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183689303 455321661 /nfs/dbraw/zinc/32/16/61/455321661.db2.gz LZAHNYDZOVCIBY-CHWSQXEVSA-N 2 2 341.415 3.122 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190467398 455323854 /nfs/dbraw/zinc/32/38/54/455323854.db2.gz MALQZVKSZMEVPB-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190467398 455323860 /nfs/dbraw/zinc/32/38/60/455323860.db2.gz MALQZVKSZMEVPB-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190467398 455323863 /nfs/dbraw/zinc/32/38/63/455323863.db2.gz MALQZVKSZMEVPB-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190467398 455323865 /nfs/dbraw/zinc/32/38/65/455323865.db2.gz MALQZVKSZMEVPB-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC000190467182 455324738 /nfs/dbraw/zinc/32/47/38/455324738.db2.gz DFTIKMBJPVPODX-OAHLLOKOSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC000190467182 455324742 /nfs/dbraw/zinc/32/47/42/455324742.db2.gz DFTIKMBJPVPODX-OAHLLOKOSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000190467182 455324746 /nfs/dbraw/zinc/32/47/46/455324746.db2.gz DFTIKMBJPVPODX-OAHLLOKOSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000190467182 455324749 /nfs/dbraw/zinc/32/47/49/455324749.db2.gz DFTIKMBJPVPODX-OAHLLOKOSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1csc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000190466717 455324813 /nfs/dbraw/zinc/32/48/13/455324813.db2.gz IPLGUNIWLJLUSW-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000190466717 455324816 /nfs/dbraw/zinc/32/48/16/455324816.db2.gz IPLGUNIWLJLUSW-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)n1 ZINC000190466717 455324818 /nfs/dbraw/zinc/32/48/18/455324818.db2.gz IPLGUNIWLJLUSW-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)n1 ZINC000190466717 455324820 /nfs/dbraw/zinc/32/48/20/455324820.db2.gz IPLGUNIWLJLUSW-AWEZNQCLSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190486452 455330774 /nfs/dbraw/zinc/33/07/74/455330774.db2.gz BIMTWYSLVBTFBM-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190486452 455330779 /nfs/dbraw/zinc/33/07/79/455330779.db2.gz BIMTWYSLVBTFBM-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190486452 455330781 /nfs/dbraw/zinc/33/07/81/455330781.db2.gz BIMTWYSLVBTFBM-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190486452 455330782 /nfs/dbraw/zinc/33/07/82/455330782.db2.gz BIMTWYSLVBTFBM-QGZVFWFLSA-N 2 2 330.501 3.109 10 0 EGAELP C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936602 455342738 /nfs/dbraw/zinc/34/27/38/455342738.db2.gz MBKOLGFLCVXWDW-UZLBHIALSA-N 2 2 348.450 3.352 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729794 455367245 /nfs/dbraw/zinc/36/72/45/455367245.db2.gz JMZUPQWDZXHUDT-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729794 455367247 /nfs/dbraw/zinc/36/72/47/455367247.db2.gz JMZUPQWDZXHUDT-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729794 455367250 /nfs/dbraw/zinc/36/72/50/455367250.db2.gz JMZUPQWDZXHUDT-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729794 455367251 /nfs/dbraw/zinc/36/72/51/455367251.db2.gz JMZUPQWDZXHUDT-JXFKEZNVSA-N 2 2 326.488 3.343 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266712922 455441129 /nfs/dbraw/zinc/44/11/29/455441129.db2.gz FVHOBDIAOGEVIG-ZDUSSCGKSA-N 2 2 344.484 3.338 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487491 455498885 /nfs/dbraw/zinc/49/88/85/455498885.db2.gz GYGAJZCNFMZBCV-FXAWDEMLSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487491 455498888 /nfs/dbraw/zinc/49/88/88/455498888.db2.gz GYGAJZCNFMZBCV-FXAWDEMLSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487491 455498892 /nfs/dbraw/zinc/49/88/92/455498892.db2.gz GYGAJZCNFMZBCV-FXAWDEMLSA-N 2 2 342.483 3.217 10 0 EGAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487491 455498896 /nfs/dbraw/zinc/49/88/96/455498896.db2.gz GYGAJZCNFMZBCV-FXAWDEMLSA-N 2 2 342.483 3.217 10 0 EGAELP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292238 455584325 /nfs/dbraw/zinc/58/43/25/455584325.db2.gz HELJFRVZOUUUFE-VOQZNFBZSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292238 455584329 /nfs/dbraw/zinc/58/43/29/455584329.db2.gz HELJFRVZOUUUFE-VOQZNFBZSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292238 455584331 /nfs/dbraw/zinc/58/43/31/455584331.db2.gz HELJFRVZOUUUFE-VOQZNFBZSA-N 2 2 336.479 3.099 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668672 455592167 /nfs/dbraw/zinc/59/21/67/455592167.db2.gz GKOGURGXRVXWIK-DZGCQCFKSA-N 2 2 336.501 3.277 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668672 455592169 /nfs/dbraw/zinc/59/21/69/455592169.db2.gz GKOGURGXRVXWIK-DZGCQCFKSA-N 2 2 336.501 3.277 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247586495 455628428 /nfs/dbraw/zinc/62/84/28/455628428.db2.gz MHSBJHJDKQYBDX-QFBILLFUSA-N 2 2 339.439 3.120 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247586495 455628432 /nfs/dbraw/zinc/62/84/32/455628432.db2.gz MHSBJHJDKQYBDX-QFBILLFUSA-N 2 2 339.439 3.120 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247743701 455642283 /nfs/dbraw/zinc/64/22/83/455642283.db2.gz XLMOXJMQKPPNOZ-PKOBYXMFSA-N 2 2 341.455 3.387 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247743701 455642290 /nfs/dbraw/zinc/64/22/90/455642290.db2.gz XLMOXJMQKPPNOZ-PKOBYXMFSA-N 2 2 341.455 3.387 10 0 EGAELP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271470067 455649869 /nfs/dbraw/zinc/64/98/69/455649869.db2.gz IIFHEKZOQHZGQB-HKUYNNGSSA-N 2 2 331.504 3.229 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728901 460694000 /nfs/dbraw/zinc/69/40/00/460694000.db2.gz FMANSLXKVHLUNX-QFBILLFUSA-N 2 2 332.488 3.207 10 0 EGAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728901 460694003 /nfs/dbraw/zinc/69/40/03/460694003.db2.gz FMANSLXKVHLUNX-QFBILLFUSA-N 2 2 332.488 3.207 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541006 460694126 /nfs/dbraw/zinc/69/41/26/460694126.db2.gz WBIKSBYPHNDWFB-APWZRJJASA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541006 460694128 /nfs/dbraw/zinc/69/41/28/460694128.db2.gz WBIKSBYPHNDWFB-APWZRJJASA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606541006 460694133 /nfs/dbraw/zinc/69/41/33/460694133.db2.gz WBIKSBYPHNDWFB-APWZRJJASA-N 2 2 342.458 3.238 10 0 EGAELP C[C@@H]1c2c(F)cccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606541006 460694144 /nfs/dbraw/zinc/69/41/44/460694144.db2.gz WBIKSBYPHNDWFB-APWZRJJASA-N 2 2 342.458 3.238 10 0 EGAELP CCCCc1noc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000195516273 455977616 /nfs/dbraw/zinc/97/76/16/455977616.db2.gz HHGVIBNXJUNJEN-OAHLLOKOSA-N 2 2 329.448 3.050 10 0 EGAELP CCCCc1noc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000195516273 455977618 /nfs/dbraw/zinc/97/76/18/455977618.db2.gz HHGVIBNXJUNJEN-OAHLLOKOSA-N 2 2 329.448 3.050 10 0 EGAELP CCOc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000262013520 455985135 /nfs/dbraw/zinc/98/51/35/455985135.db2.gz MMEFCVZLVWZTSD-UHFFFAOYSA-N 2 2 328.456 3.097 10 0 EGAELP CCOc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000262013520 455985141 /nfs/dbraw/zinc/98/51/41/455985141.db2.gz MMEFCVZLVWZTSD-UHFFFAOYSA-N 2 2 328.456 3.097 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000617012533 460707709 /nfs/dbraw/zinc/70/77/09/460707709.db2.gz CAJJQYMPNADWGA-MRXNPFEDSA-N 2 2 339.439 3.477 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000617012533 460707716 /nfs/dbraw/zinc/70/77/16/460707716.db2.gz CAJJQYMPNADWGA-MRXNPFEDSA-N 2 2 339.439 3.477 10 0 EGAELP Cc1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc(C)[nH+]1 ZINC000301260656 456074336 /nfs/dbraw/zinc/07/43/36/456074336.db2.gz OMVDZCIHCLTKJF-AWEZNQCLSA-N 2 2 332.398 3.448 10 0 EGAELP Cc1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc(C)[nH+]1 ZINC000301260656 456074338 /nfs/dbraw/zinc/07/43/38/456074338.db2.gz OMVDZCIHCLTKJF-AWEZNQCLSA-N 2 2 332.398 3.448 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858908 456158378 /nfs/dbraw/zinc/15/83/78/456158378.db2.gz RMMNOFXKMKMBDL-IEBWSBKVSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858908 456158380 /nfs/dbraw/zinc/15/83/80/456158380.db2.gz RMMNOFXKMKMBDL-IEBWSBKVSA-N 2 2 341.503 3.046 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189068265 456217576 /nfs/dbraw/zinc/21/75/76/456217576.db2.gz UEJWMXJFCCQIPR-AWEZNQCLSA-N 2 2 341.390 3.045 10 0 EGAELP CCc1cc(NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302034438 456273362 /nfs/dbraw/zinc/27/33/62/456273362.db2.gz DTRQKWLTYMPXPV-INIZCTEOSA-N 2 2 346.500 3.203 10 0 EGAELP Cc1cccc(NCCC[NH+]2CCN(c3ccccc3F)CC2)[nH+]1 ZINC000302241474 456327758 /nfs/dbraw/zinc/32/77/58/456327758.db2.gz OABPLIPUYXUQND-UHFFFAOYSA-N 2 2 328.435 3.153 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352964106 456426401 /nfs/dbraw/zinc/42/64/01/456426401.db2.gz AVTNMPDBKXCGQU-CODKJTEISA-N 2 2 337.458 3.028 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352964106 456426408 /nfs/dbraw/zinc/42/64/08/456426408.db2.gz AVTNMPDBKXCGQU-CODKJTEISA-N 2 2 337.458 3.028 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000298517044 456478394 /nfs/dbraw/zinc/47/83/94/456478394.db2.gz LAIGMQDYZQFKBJ-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000298517044 456478399 /nfs/dbraw/zinc/47/83/99/456478399.db2.gz LAIGMQDYZQFKBJ-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032884 456578895 /nfs/dbraw/zinc/57/88/95/456578895.db2.gz YRDFYWNKJBCMFL-JKSUJKDBSA-N 2 2 327.513 3.144 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032884 456578898 /nfs/dbraw/zinc/57/88/98/456578898.db2.gz YRDFYWNKJBCMFL-JKSUJKDBSA-N 2 2 327.513 3.144 10 0 EGAELP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C(F)F)n1 ZINC000291281916 456590702 /nfs/dbraw/zinc/59/07/02/456590702.db2.gz UXVGLYWWYLOEOE-UHFFFAOYSA-N 2 2 348.441 3.154 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348320041 456620102 /nfs/dbraw/zinc/62/01/02/456620102.db2.gz QGQKMCKXWTWARU-UONOGXRCSA-N 2 2 335.411 3.150 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112987 456645133 /nfs/dbraw/zinc/64/51/33/456645133.db2.gz PFVSOFPEFMCRIJ-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112987 456645140 /nfs/dbraw/zinc/64/51/40/456645140.db2.gz PFVSOFPEFMCRIJ-GOEBONIOSA-N 2 2 336.863 3.075 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324249432 456665163 /nfs/dbraw/zinc/66/51/63/456665163.db2.gz ZQDLXZKNXJDJCA-IEBWSBKVSA-N 2 2 330.472 3.252 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324249432 456665167 /nfs/dbraw/zinc/66/51/67/456665167.db2.gz ZQDLXZKNXJDJCA-IEBWSBKVSA-N 2 2 330.472 3.252 10 0 EGAELP c1cncc(C[N@H+](Cc2ccc3ncccc3c2)C[C@H]2CC[NH2+]C2)c1 ZINC000328646524 456727646 /nfs/dbraw/zinc/72/76/46/456727646.db2.gz SQDWNXZPCBLJCB-IBGZPJMESA-N 2 2 332.451 3.242 10 0 EGAELP c1cncc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]2CC[NH2+]C2)c1 ZINC000328646524 456727650 /nfs/dbraw/zinc/72/76/50/456727650.db2.gz SQDWNXZPCBLJCB-IBGZPJMESA-N 2 2 332.451 3.242 10 0 EGAELP Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000343604055 456737168 /nfs/dbraw/zinc/73/71/68/456737168.db2.gz HYNIYYZBFJABEV-UHFFFAOYSA-N 2 2 345.450 3.168 10 0 EGAELP Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000343604055 456737174 /nfs/dbraw/zinc/73/71/74/456737174.db2.gz HYNIYYZBFJABEV-UHFFFAOYSA-N 2 2 345.450 3.168 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636664 456792180 /nfs/dbraw/zinc/79/21/80/456792180.db2.gz XWHDZTSTCLWRTR-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636664 456792186 /nfs/dbraw/zinc/79/21/86/456792186.db2.gz XWHDZTSTCLWRTR-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636664 456792194 /nfs/dbraw/zinc/79/21/94/456792194.db2.gz XWHDZTSTCLWRTR-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636664 456792201 /nfs/dbraw/zinc/79/22/01/456792201.db2.gz XWHDZTSTCLWRTR-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CCCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348637356 456794230 /nfs/dbraw/zinc/79/42/30/456794230.db2.gz UGRASRJUIFCPKC-NRFANRHFSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348637356 456794236 /nfs/dbraw/zinc/79/42/36/456794236.db2.gz UGRASRJUIFCPKC-NRFANRHFSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348637356 456794243 /nfs/dbraw/zinc/79/42/43/456794243.db2.gz UGRASRJUIFCPKC-NRFANRHFSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348637356 456794250 /nfs/dbraw/zinc/79/42/50/456794250.db2.gz UGRASRJUIFCPKC-NRFANRHFSA-N 2 2 338.499 3.391 10 0 EGAELP Cc1ccc(CCC[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000353651490 456829273 /nfs/dbraw/zinc/82/92/73/456829273.db2.gz PXIDMKAVJALDFE-IBGZPJMESA-N 2 2 341.430 3.199 10 0 EGAELP Cc1ccc(CCC[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000353651490 456829278 /nfs/dbraw/zinc/82/92/78/456829278.db2.gz PXIDMKAVJALDFE-IBGZPJMESA-N 2 2 341.430 3.199 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052387 456841914 /nfs/dbraw/zinc/84/19/14/456841914.db2.gz BSVHLLLIYSSITC-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052387 456841919 /nfs/dbraw/zinc/84/19/19/456841919.db2.gz BSVHLLLIYSSITC-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292052387 456841926 /nfs/dbraw/zinc/84/19/26/456841926.db2.gz BSVHLLLIYSSITC-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292052387 456841932 /nfs/dbraw/zinc/84/19/32/456841932.db2.gz BSVHLLLIYSSITC-KSSFIOAISA-N 2 2 335.879 3.003 10 0 EGAELP Brc1c[nH+]ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341731538 456919644 /nfs/dbraw/zinc/91/96/44/456919644.db2.gz PDMNVSIBAVTEHX-UHFFFAOYSA-N 2 2 343.228 3.123 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)OC(C)C ZINC000349352806 456950623 /nfs/dbraw/zinc/95/06/23/456950623.db2.gz IBPQIWSBUFCNFH-BPAFIMBUSA-N 2 2 332.488 3.234 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)OC(C)C ZINC000349352806 456950625 /nfs/dbraw/zinc/95/06/25/456950625.db2.gz IBPQIWSBUFCNFH-BPAFIMBUSA-N 2 2 332.488 3.234 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974770 456986098 /nfs/dbraw/zinc/98/60/98/456986098.db2.gz IVMVNLKCIHWXBV-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974770 456986101 /nfs/dbraw/zinc/98/61/01/456986101.db2.gz IVMVNLKCIHWXBV-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974770 456986102 /nfs/dbraw/zinc/98/61/02/456986102.db2.gz IVMVNLKCIHWXBV-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974770 456986105 /nfs/dbraw/zinc/98/61/05/456986105.db2.gz IVMVNLKCIHWXBV-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980482 456987872 /nfs/dbraw/zinc/98/78/72/456987872.db2.gz AYRJJAIRYAJDRB-DZGCQCFKSA-N 2 2 327.394 3.224 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353980482 456987876 /nfs/dbraw/zinc/98/78/76/456987876.db2.gz AYRJJAIRYAJDRB-DZGCQCFKSA-N 2 2 327.394 3.224 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000359711494 457123553 /nfs/dbraw/zinc/12/35/53/457123553.db2.gz JHYFBKDKFLBULZ-OAHLLOKOSA-N 2 2 345.874 3.418 10 0 EGAELP O[C@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356900644 457207766 /nfs/dbraw/zinc/20/77/66/457207766.db2.gz OULAPUVELRESOB-HOCLYGCPSA-N 2 2 336.442 3.324 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000354424583 457212976 /nfs/dbraw/zinc/21/29/76/457212976.db2.gz GFJRZUQNOOXXBX-MRXNPFEDSA-N 2 2 344.503 3.225 10 0 EGAELP CC[C@H]1C[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965340 457247361 /nfs/dbraw/zinc/24/73/61/457247361.db2.gz KMSWIQDBEGELNP-RXVVDRJESA-N 2 2 345.531 3.226 10 0 EGAELP CC[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965340 457247364 /nfs/dbraw/zinc/24/73/64/457247364.db2.gz KMSWIQDBEGELNP-RXVVDRJESA-N 2 2 345.531 3.226 10 0 EGAELP CC[N@H+](C)[C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccccc1 ZINC000347192178 457280657 /nfs/dbraw/zinc/28/06/57/457280657.db2.gz GBLAQNCPUVWMJV-QGZVFWFLSA-N 2 2 333.395 3.425 10 0 EGAELP CC[N@@H+](C)[C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccccc1 ZINC000347192178 457280660 /nfs/dbraw/zinc/28/06/60/457280660.db2.gz GBLAQNCPUVWMJV-QGZVFWFLSA-N 2 2 333.395 3.425 10 0 EGAELP CCc1ccc(C[NH+]2CCN(Cc3cc(OC)cc(C)[nH+]3)CC2)s1 ZINC000339822539 457291842 /nfs/dbraw/zinc/29/18/42/457291842.db2.gz UDIWKOLWGUQTCN-UHFFFAOYSA-N 2 2 345.512 3.340 10 0 EGAELP Cc1nnsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390839298 457448020 /nfs/dbraw/zinc/44/80/20/457448020.db2.gz BMIRYNGZWRBDPT-ALOPSCKCSA-N 2 2 328.485 3.132 10 0 EGAELP Cc1nnsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390839298 457448023 /nfs/dbraw/zinc/44/80/23/457448023.db2.gz BMIRYNGZWRBDPT-ALOPSCKCSA-N 2 2 328.485 3.132 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197794 457518783 /nfs/dbraw/zinc/51/87/83/457518783.db2.gz FNXJJWWPYPUTFC-CQSZACIVSA-N 2 2 349.438 3.165 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374197794 457518785 /nfs/dbraw/zinc/51/87/85/457518785.db2.gz FNXJJWWPYPUTFC-CQSZACIVSA-N 2 2 349.438 3.165 10 0 EGAELP Clc1ccc(-n2cc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)nn2)cc1 ZINC000370466495 457654123 /nfs/dbraw/zinc/65/41/23/457654123.db2.gz ZLWUYOUNIMWNEJ-UHFFFAOYSA-N 2 2 342.834 3.023 10 0 EGAELP Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3nccs3)CC2)c[nH+]1 ZINC000374679622 457685981 /nfs/dbraw/zinc/68/59/81/457685981.db2.gz NZLUGEOKPJWFIK-ZDUSSCGKSA-N 2 2 330.457 3.053 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000361336921 457697950 /nfs/dbraw/zinc/69/79/50/457697950.db2.gz SOSKYCJWWGEANC-IRXDYDNUSA-N 2 2 342.487 3.149 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000361337578 457698459 /nfs/dbraw/zinc/69/84/59/457698459.db2.gz WPJLKHFRMOPCBF-FQEVSTJZSA-N 2 2 343.471 3.006 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000361337578 457698463 /nfs/dbraw/zinc/69/84/63/457698463.db2.gz WPJLKHFRMOPCBF-FQEVSTJZSA-N 2 2 343.471 3.006 10 0 EGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846912 457704151 /nfs/dbraw/zinc/70/41/51/457704151.db2.gz KZFVPRAEXLDTBX-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000364846912 457704153 /nfs/dbraw/zinc/70/41/53/457704153.db2.gz KZFVPRAEXLDTBX-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000358162133 457826620 /nfs/dbraw/zinc/82/66/20/457826620.db2.gz LOCHQKDUCYXNPZ-UHFFFAOYSA-N 2 2 330.863 3.472 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000366923302 457910829 /nfs/dbraw/zinc/91/08/29/457910829.db2.gz RZCNRPXNVPQENL-LRDDRELGSA-N 2 2 338.908 3.308 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366923302 457910835 /nfs/dbraw/zinc/91/08/35/457910835.db2.gz RZCNRPXNVPQENL-LRDDRELGSA-N 2 2 338.908 3.308 10 0 EGAELP OCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000358292979 457915840 /nfs/dbraw/zinc/91/58/40/457915840.db2.gz HSOGWDIDHLWRHF-UHFFFAOYSA-N 2 2 336.907 3.447 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+](Cc2ccccc2)C1 ZINC000434988436 458076267 /nfs/dbraw/zinc/07/62/67/458076267.db2.gz SEBUVYNVWGECQV-ICSRJNTNSA-N 2 2 342.527 3.429 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000434988436 458076275 /nfs/dbraw/zinc/07/62/75/458076275.db2.gz SEBUVYNVWGECQV-ICSRJNTNSA-N 2 2 342.527 3.429 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358741518 458184301 /nfs/dbraw/zinc/18/43/01/458184301.db2.gz DTGXNBOOFRGSPY-MAUKXSAKSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358741518 458184304 /nfs/dbraw/zinc/18/43/04/458184304.db2.gz DTGXNBOOFRGSPY-MAUKXSAKSA-N 2 2 326.431 3.362 10 0 EGAELP Cc1ccncc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492028 458508797 /nfs/dbraw/zinc/50/87/97/458508797.db2.gz ANQBQTJLMWBLOF-UHFFFAOYSA-N 2 2 327.394 3.285 10 0 EGAELP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373541758 458525527 /nfs/dbraw/zinc/52/55/27/458525527.db2.gz PHFGMTQOIGBUPO-INIZCTEOSA-N 2 2 348.535 3.266 10 0 EGAELP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373541758 458525532 /nfs/dbraw/zinc/52/55/32/458525532.db2.gz PHFGMTQOIGBUPO-INIZCTEOSA-N 2 2 348.535 3.266 10 0 EGAELP CCC(CC)[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH+](C)C ZINC000438111730 458535562 /nfs/dbraw/zinc/53/55/62/458535562.db2.gz BQLROZPLEAVVIJ-MRXNPFEDSA-N 2 2 331.464 3.131 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000462788123 458654281 /nfs/dbraw/zinc/65/42/81/458654281.db2.gz DVVHJOYYPQRKKO-MSOLQXFVSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000462788123 458654286 /nfs/dbraw/zinc/65/42/86/458654286.db2.gz DVVHJOYYPQRKKO-MSOLQXFVSA-N 2 2 330.472 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000463075809 458675390 /nfs/dbraw/zinc/67/53/90/458675390.db2.gz RMLANRSEKONRJN-KRWDZBQOSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000463075809 458675394 /nfs/dbraw/zinc/67/53/94/458675394.db2.gz RMLANRSEKONRJN-KRWDZBQOSA-N 2 2 342.487 3.245 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OCC(C)C ZINC000530177141 458707511 /nfs/dbraw/zinc/70/75/11/458707511.db2.gz HDQFAINJVOOEHQ-LJQANCHMSA-N 2 2 332.488 3.494 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322468 458857207 /nfs/dbraw/zinc/85/72/07/458857207.db2.gz UCAYDAOSBSVVOA-MSOLQXFVSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322468 458857216 /nfs/dbraw/zinc/85/72/16/458857216.db2.gz UCAYDAOSBSVVOA-MSOLQXFVSA-N 2 2 349.438 3.210 10 0 EGAELP CC1CC[NH+](Cc2ccc(-c3noc(Cn4cc[nH+]c4)n3)cc2)CC1 ZINC000518637879 458881857 /nfs/dbraw/zinc/88/18/57/458881857.db2.gz YKMHUOYGTSDKRB-UHFFFAOYSA-N 2 2 337.427 3.213 10 0 EGAELP CC[C@H]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476118065 458979591 /nfs/dbraw/zinc/97/95/91/458979591.db2.gz AMVIJFCRXQCAEZ-RBUKOAKNSA-N 2 2 349.563 3.269 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000577152976 458987313 /nfs/dbraw/zinc/98/73/13/458987313.db2.gz TZIWPQSQZOCWBC-OXJNMPFZSA-N 2 2 341.499 3.290 10 0 EGAELP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000577152976 458987317 /nfs/dbraw/zinc/98/73/17/458987317.db2.gz TZIWPQSQZOCWBC-OXJNMPFZSA-N 2 2 341.499 3.290 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000532213602 459047229 /nfs/dbraw/zinc/04/72/29/459047229.db2.gz HDOCJTVVWYWITD-RYUDHWBXSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000532213602 459047235 /nfs/dbraw/zinc/04/72/35/459047235.db2.gz HDOCJTVVWYWITD-RYUDHWBXSA-N 2 2 347.322 3.272 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000594493713 459058802 /nfs/dbraw/zinc/05/88/02/459058802.db2.gz ILUXIFLBXFFCOB-QYZOEREBSA-N 2 2 328.456 3.067 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000594493713 459058807 /nfs/dbraw/zinc/05/88/07/459058807.db2.gz ILUXIFLBXFFCOB-QYZOEREBSA-N 2 2 328.456 3.067 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476295 459095566 /nfs/dbraw/zinc/09/55/66/459095566.db2.gz STUVFPQKNSTSKH-HNAYVOBHSA-N 2 2 329.488 3.245 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476295 459095572 /nfs/dbraw/zinc/09/55/72/459095572.db2.gz STUVFPQKNSTSKH-HNAYVOBHSA-N 2 2 329.488 3.245 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)o1 ZINC000594602295 459105904 /nfs/dbraw/zinc/10/59/04/459105904.db2.gz XJQFWHGFJINKER-SFHVURJKSA-N 2 2 342.439 3.301 10 0 EGAELP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000480522298 459201963 /nfs/dbraw/zinc/20/19/63/459201963.db2.gz USZQQVGKIHWGAA-GOSISDBHSA-N 2 2 339.487 3.335 10 0 EGAELP CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000480522298 459201969 /nfs/dbraw/zinc/20/19/69/459201969.db2.gz USZQQVGKIHWGAA-GOSISDBHSA-N 2 2 339.487 3.335 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595031611 459222167 /nfs/dbraw/zinc/22/21/67/459222167.db2.gz IKNVMKMNUASYBZ-JENIJYKNSA-N 2 2 346.515 3.464 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000595031611 459222171 /nfs/dbraw/zinc/22/21/71/459222171.db2.gz IKNVMKMNUASYBZ-JENIJYKNSA-N 2 2 346.515 3.464 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591082071 459310088 /nfs/dbraw/zinc/31/00/88/459310088.db2.gz CAAHBWKHGPXVJJ-HKUYNNGSSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591082071 459310094 /nfs/dbraw/zinc/31/00/94/459310094.db2.gz CAAHBWKHGPXVJJ-HKUYNNGSSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc[nH+]cc2C)c(C)c1 ZINC000534325938 459313528 /nfs/dbraw/zinc/31/35/28/459313528.db2.gz BLISVTMSNHKXMR-LJQANCHMSA-N 2 2 349.438 3.188 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869122 459460499 /nfs/dbraw/zinc/46/04/99/459460499.db2.gz LGHXTGDFIKCMSC-HNNXBMFYSA-N 2 2 327.407 3.229 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869122 459460503 /nfs/dbraw/zinc/46/05/03/459460503.db2.gz LGHXTGDFIKCMSC-HNNXBMFYSA-N 2 2 327.407 3.229 10 0 EGAELP COc1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)O[C@@H](C)C2 ZINC000526999749 459574198 /nfs/dbraw/zinc/57/41/98/459574198.db2.gz ZTHUWISRUWPDRZ-NNGSBXSVSA-N 2 2 330.472 3.125 10 0 EGAELP COc1ccc([C@H](C[NH2+]Cc2ccnc(C)c2)[NH+]2CCCC2)cc1 ZINC000527630581 459677379 /nfs/dbraw/zinc/67/73/79/459677379.db2.gz ASFNUBJBYJKLKY-FQEVSTJZSA-N 2 2 325.456 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698726 459706416 /nfs/dbraw/zinc/70/64/16/459706416.db2.gz CKTJHAQCGCFHRV-FIRPJDEBSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698726 459706421 /nfs/dbraw/zinc/70/64/21/459706421.db2.gz CKTJHAQCGCFHRV-FIRPJDEBSA-N 2 2 328.500 3.302 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409297 459729993 /nfs/dbraw/zinc/72/99/93/459729993.db2.gz BRSHGXKKXBRVBF-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409297 459730001 /nfs/dbraw/zinc/73/00/01/459730001.db2.gz BRSHGXKKXBRVBF-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409297 459730012 /nfs/dbraw/zinc/73/00/12/459730012.db2.gz BRSHGXKKXBRVBF-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C[N@@H+]1Cc1ccccc1 ZINC000527806262 459743692 /nfs/dbraw/zinc/74/36/92/459743692.db2.gz LVYLRDOCWQDJRH-PLMTUMEDSA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C[N@H+]1Cc1ccccc1 ZINC000527806262 459743694 /nfs/dbraw/zinc/74/36/94/459743694.db2.gz LVYLRDOCWQDJRH-PLMTUMEDSA-N 2 2 349.478 3.066 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946998 459780053 /nfs/dbraw/zinc/78/00/53/459780053.db2.gz JJDOFZBSFOBHFB-SJLPKXTDSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527946998 459780057 /nfs/dbraw/zinc/78/00/57/459780057.db2.gz JJDOFZBSFOBHFB-SJLPKXTDSA-N 2 2 339.487 3.325 10 0 EGAELP COc1ccc[nH+]c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000527993505 459790256 /nfs/dbraw/zinc/79/02/56/459790256.db2.gz LYUCIQQXIFQIMP-UHFFFAOYSA-N 2 2 329.366 3.307 10 0 EGAELP CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588692429 459971552 /nfs/dbraw/zinc/97/15/52/459971552.db2.gz XVTFOHFLHUIJCX-SFHVURJKSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[N@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588692429 459971555 /nfs/dbraw/zinc/97/15/55/459971555.db2.gz XVTFOHFLHUIJCX-SFHVURJKSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[NH+](Cc1cccs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588692429 459971559 /nfs/dbraw/zinc/97/15/59/459971559.db2.gz XVTFOHFLHUIJCX-SFHVURJKSA-N 2 2 332.513 3.451 10 0 EGAELP CC(C)[NH+](Cc1cccs1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588692429 459971566 /nfs/dbraw/zinc/97/15/66/459971566.db2.gz XVTFOHFLHUIJCX-SFHVURJKSA-N 2 2 332.513 3.451 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000603557234 460321659 /nfs/dbraw/zinc/32/16/59/460321659.db2.gz WJPAVEOBLXJRAZ-FQEVSTJZSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000603557234 460321661 /nfs/dbraw/zinc/32/16/61/460321661.db2.gz WJPAVEOBLXJRAZ-FQEVSTJZSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](CCc1ccc(Cl)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603557234 460321665 /nfs/dbraw/zinc/32/16/65/460321665.db2.gz WJPAVEOBLXJRAZ-FQEVSTJZSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](CCc1ccc(Cl)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603557234 460321668 /nfs/dbraw/zinc/32/16/68/460321668.db2.gz WJPAVEOBLXJRAZ-FQEVSTJZSA-N 2 2 346.902 3.307 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454414 460418228 /nfs/dbraw/zinc/41/82/28/460418228.db2.gz IBWHLNDGWDLTGJ-FXAWDEMLSA-N 2 2 346.515 3.249 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454414 460418233 /nfs/dbraw/zinc/41/82/33/460418233.db2.gz IBWHLNDGWDLTGJ-FXAWDEMLSA-N 2 2 346.515 3.249 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000634810229 460531499 /nfs/dbraw/zinc/53/14/99/460531499.db2.gz QDLKVCMRSBXCNF-CABCVRRESA-N 2 2 325.460 3.051 10 0 EGAELP Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(-c2cc3ccccc3o2)n1 ZINC000629384726 460745246 /nfs/dbraw/zinc/74/52/46/460745246.db2.gz BFSZQKDIVJQJEK-SFHVURJKSA-N 2 2 336.439 3.208 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000623870713 460753695 /nfs/dbraw/zinc/75/36/95/460753695.db2.gz KIMGALHNMWVMAQ-JQWIXIFHSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000623870713 460753701 /nfs/dbraw/zinc/75/37/01/460753701.db2.gz KIMGALHNMWVMAQ-JQWIXIFHSA-N 2 2 335.801 3.369 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C[NH2+]1 ZINC000629541749 460800824 /nfs/dbraw/zinc/80/08/24/460800824.db2.gz VCPSVTZQRIHNFF-ISTVAULSSA-N 2 2 327.241 3.306 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[N@@H+](C3CCCC3)CC1)nc1ccccc12 ZINC000623985534 460811004 /nfs/dbraw/zinc/81/10/04/460811004.db2.gz VAOGNBPVCJZNSV-UHFFFAOYSA-N 2 2 335.455 3.337 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[N@H+](C3CCCC3)CC1)nc1ccccc12 ZINC000623985534 460811006 /nfs/dbraw/zinc/81/10/06/460811006.db2.gz VAOGNBPVCJZNSV-UHFFFAOYSA-N 2 2 335.455 3.337 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629600682 460822693 /nfs/dbraw/zinc/82/26/93/460822693.db2.gz ADXPYVQDBYWDMQ-INIZCTEOSA-N 2 2 333.451 3.069 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629600682 460822698 /nfs/dbraw/zinc/82/26/98/460822698.db2.gz ADXPYVQDBYWDMQ-INIZCTEOSA-N 2 2 333.451 3.069 10 0 EGAELP Cc1cc(Br)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629666141 460856591 /nfs/dbraw/zinc/85/65/91/460856591.db2.gz MTRXCHZJBKWBNZ-OKILXGFUSA-N 2 2 329.307 3.250 10 0 EGAELP Cc1cc(Br)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629666141 460856597 /nfs/dbraw/zinc/85/65/97/460856597.db2.gz MTRXCHZJBKWBNZ-OKILXGFUSA-N 2 2 329.307 3.250 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000608076380 460977638 /nfs/dbraw/zinc/97/76/38/460977638.db2.gz ZWSHDWGJUQOOPH-SFHVURJKSA-N 2 2 337.471 3.445 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190720 461042727 /nfs/dbraw/zinc/04/27/27/461042727.db2.gz OAZOKTYQTCZMEW-AZUAARDMSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000628190720 461042730 /nfs/dbraw/zinc/04/27/30/461042730.db2.gz OAZOKTYQTCZMEW-AZUAARDMSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000628190720 461042735 /nfs/dbraw/zinc/04/27/35/461042735.db2.gz OAZOKTYQTCZMEW-AZUAARDMSA-N 2 2 325.456 3.470 10 0 EGAELP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000628190720 461042738 /nfs/dbraw/zinc/04/27/38/461042738.db2.gz OAZOKTYQTCZMEW-AZUAARDMSA-N 2 2 325.456 3.470 10 0 EGAELP COCc1cc[nH+]c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000652330575 461132198 /nfs/dbraw/zinc/13/21/98/461132198.db2.gz JUDGEZCPRGZART-OAHLLOKOSA-N 2 2 329.444 3.342 10 0 EGAELP C[N@H+](Cc1cc(Br)cc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652339777 461140143 /nfs/dbraw/zinc/14/01/43/461140143.db2.gz MIOSIUUYAQPMOL-FUNVUKJBSA-N 2 2 345.231 3.442 10 0 EGAELP C[N@@H+](Cc1cc(Br)cc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652339777 461140148 /nfs/dbraw/zinc/14/01/48/461140148.db2.gz MIOSIUUYAQPMOL-FUNVUKJBSA-N 2 2 345.231 3.442 10 0 EGAELP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257232 461147135 /nfs/dbraw/zinc/14/71/35/461147135.db2.gz BNVXFSXMAJILNW-MOPGFXCFSA-N 2 2 348.849 3.489 10 0 EGAELP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257232 461147144 /nfs/dbraw/zinc/14/71/44/461147144.db2.gz BNVXFSXMAJILNW-MOPGFXCFSA-N 2 2 348.849 3.489 10 0 EGAELP CCCOc1ccc(Br)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668537401 461319029 /nfs/dbraw/zinc/31/90/29/461319029.db2.gz FBUIJBLVUUHEAC-UHFFFAOYSA-N 2 2 341.293 3.231 10 0 EGAELP CCCOc1ccc(Br)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668537401 461319038 /nfs/dbraw/zinc/31/90/38/461319038.db2.gz FBUIJBLVUUHEAC-UHFFFAOYSA-N 2 2 341.293 3.231 10 0 EGAELP C[N@H+](CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCCC1 ZINC000630835444 461352905 /nfs/dbraw/zinc/35/29/05/461352905.db2.gz BOYXOQFXSMMFNZ-UHFFFAOYSA-N 2 2 326.444 3.071 10 0 EGAELP C[N@@H+](CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCCC1 ZINC000630835444 461352910 /nfs/dbraw/zinc/35/29/10/461352910.db2.gz BOYXOQFXSMMFNZ-UHFFFAOYSA-N 2 2 326.444 3.071 10 0 EGAELP C[C@@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CS1 ZINC000655743858 461410847 /nfs/dbraw/zinc/41/08/47/461410847.db2.gz KHOXNBWBFISXDO-HUUCEWRRSA-N 2 2 334.533 3.308 10 0 EGAELP CCC[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642100539 461445264 /nfs/dbraw/zinc/44/52/64/461445264.db2.gz WQZAIWKYUYFYGG-GFCCVEGCSA-N 2 2 327.407 3.394 10 0 EGAELP CCC[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642100539 461445275 /nfs/dbraw/zinc/44/52/75/461445275.db2.gz WQZAIWKYUYFYGG-GFCCVEGCSA-N 2 2 327.407 3.394 10 0 EGAELP CC[NH+]1CCC(CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642101012 461445901 /nfs/dbraw/zinc/44/59/01/461445901.db2.gz HKDJXYDECCLSNO-UHFFFAOYSA-N 2 2 327.407 3.394 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCc2n[nH]cc2C1 ZINC000668840208 461463572 /nfs/dbraw/zinc/46/35/72/461463572.db2.gz DFSZHWAFIUAXPZ-UHFFFAOYSA-N 2 2 326.488 3.316 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCc2n[nH]cc2C1 ZINC000668840208 461463579 /nfs/dbraw/zinc/46/35/79/461463579.db2.gz DFSZHWAFIUAXPZ-UHFFFAOYSA-N 2 2 326.488 3.316 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000668840208 461463588 /nfs/dbraw/zinc/46/35/88/461463588.db2.gz DFSZHWAFIUAXPZ-UHFFFAOYSA-N 2 2 326.488 3.316 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCc2n[nH]cc2C1 ZINC000668840208 461463594 /nfs/dbraw/zinc/46/35/94/461463594.db2.gz DFSZHWAFIUAXPZ-UHFFFAOYSA-N 2 2 326.488 3.316 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839606 461489117 /nfs/dbraw/zinc/48/91/17/461489117.db2.gz VGNKGXQCTSDXEF-OWYHZJEWSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839606 461489123 /nfs/dbraw/zinc/48/91/23/461489123.db2.gz VGNKGXQCTSDXEF-OWYHZJEWSA-N 2 2 331.504 3.228 10 0 EGAELP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653105285 461503695 /nfs/dbraw/zinc/50/36/95/461503695.db2.gz PFGCRDSQKFICLI-HZPDHXFCSA-N 2 2 338.455 3.232 10 0 EGAELP c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3CCC[NH2+]3)no1)CC2 ZINC000647146974 461523134 /nfs/dbraw/zinc/52/31/34/461523134.db2.gz GUEMJQWBCFRCHU-GDBMZVCRSA-N 2 2 341.459 3.468 10 0 EGAELP Cc1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)on1 ZINC000631110133 461559210 /nfs/dbraw/zinc/55/92/10/461559210.db2.gz FJPWJSWJXRZJOC-UHFFFAOYSA-N 2 2 349.232 3.034 10 0 EGAELP c1ccc(C[NH+]2CC[C@H](NCC[N@H+]3CC=CCC3)CC23CC3)cc1 ZINC000647207919 461565979 /nfs/dbraw/zinc/56/59/79/461565979.db2.gz VJNSOARXXOJCHU-FQEVSTJZSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[NH+]2CC[C@H](NCC[N@@H+]3CC=CCC3)CC23CC3)cc1 ZINC000647207919 461565989 /nfs/dbraw/zinc/56/59/89/461565989.db2.gz VJNSOARXXOJCHU-FQEVSTJZSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CC=CCC3)CC23CC3)cc1 ZINC000647207919 461565997 /nfs/dbraw/zinc/56/59/97/461565997.db2.gz VJNSOARXXOJCHU-FQEVSTJZSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CC=CCC3)CC23CC3)cc1 ZINC000647207919 461566007 /nfs/dbraw/zinc/56/60/07/461566007.db2.gz VJNSOARXXOJCHU-FQEVSTJZSA-N 2 2 325.500 3.035 10 0 EGAELP CN(C)c1[nH+]cccc1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656108678 461594821 /nfs/dbraw/zinc/59/48/21/461594821.db2.gz MJWWFSATKOPRNI-UHFFFAOYSA-N 2 2 340.475 3.176 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@H](CO)c3cccc(C(F)(F)F)c3)n2c1 ZINC000631193624 461632791 /nfs/dbraw/zinc/63/27/91/461632791.db2.gz YOBKHFJWGSMYTN-MRXNPFEDSA-N 2 2 349.356 3.485 10 0 EGAELP COCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631196352 461636025 /nfs/dbraw/zinc/63/60/25/461636025.db2.gz PYQDKHUTPKLMKW-WBVHZDCISA-N 2 2 345.512 3.147 10 0 EGAELP COCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631196352 461636032 /nfs/dbraw/zinc/63/60/32/461636032.db2.gz PYQDKHUTPKLMKW-WBVHZDCISA-N 2 2 345.512 3.147 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253850 461675364 /nfs/dbraw/zinc/67/53/64/461675364.db2.gz YINJTJAJDPHCJT-YOEHRIQHSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253850 461675374 /nfs/dbraw/zinc/67/53/74/461675374.db2.gz YINJTJAJDPHCJT-YOEHRIQHSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253850 461675380 /nfs/dbraw/zinc/67/53/80/461675380.db2.gz YINJTJAJDPHCJT-YOEHRIQHSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253850 461675392 /nfs/dbraw/zinc/67/53/92/461675392.db2.gz YINJTJAJDPHCJT-YOEHRIQHSA-N 2 2 330.451 3.234 10 0 EGAELP COc1cc2cc[nH+]c(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000663704967 461764773 /nfs/dbraw/zinc/76/47/73/461764773.db2.gz RGNYGBCEYNGISC-JSGCOSHPSA-N 2 2 327.428 3.289 10 0 EGAELP COc1cc2cc[nH+]c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000663704967 461764778 /nfs/dbraw/zinc/76/47/78/461764778.db2.gz RGNYGBCEYNGISC-JSGCOSHPSA-N 2 2 327.428 3.289 10 0 EGAELP FC1CCC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000647600917 461769029 /nfs/dbraw/zinc/76/90/29/461769029.db2.gz OENHDORLSUNZHJ-UHFFFAOYSA-N 2 2 326.379 3.151 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)C[C@H]2C1 ZINC000643883528 461826338 /nfs/dbraw/zinc/82/63/38/461826338.db2.gz FKVMDIGWQCMZSN-JAZQRGJZSA-N 2 2 339.483 3.497 10 0 EGAELP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541796 461842951 /nfs/dbraw/zinc/84/29/51/461842951.db2.gz YJBNGXWKBAUSJU-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541796 461842959 /nfs/dbraw/zinc/84/29/59/461842959.db2.gz YJBNGXWKBAUSJU-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000660541796 461842969 /nfs/dbraw/zinc/84/29/69/461842969.db2.gz YJBNGXWKBAUSJU-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@H]1OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000660541796 461842974 /nfs/dbraw/zinc/84/29/74/461842974.db2.gz YJBNGXWKBAUSJU-MSOLQXFVSA-N 2 2 336.426 3.009 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899673 461874576 /nfs/dbraw/zinc/87/45/76/461874576.db2.gz SGGYRZOSVPEFPX-MJGOQNOKSA-N 2 2 337.467 3.242 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899673 461874580 /nfs/dbraw/zinc/87/45/80/461874580.db2.gz SGGYRZOSVPEFPX-MJGOQNOKSA-N 2 2 337.467 3.242 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899787 461875077 /nfs/dbraw/zinc/87/50/77/461875077.db2.gz WKBPFOOGBXVGII-KVSKMBFKSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899787 461875080 /nfs/dbraw/zinc/87/50/80/461875080.db2.gz WKBPFOOGBXVGII-KVSKMBFKSA-N 2 2 329.488 3.040 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901340 461876280 /nfs/dbraw/zinc/87/62/80/461876280.db2.gz MQOKBYFMYBYFQC-HDMKZQKVSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901340 461876290 /nfs/dbraw/zinc/87/62/90/461876290.db2.gz MQOKBYFMYBYFQC-HDMKZQKVSA-N 2 2 347.528 3.200 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647903268 461877962 /nfs/dbraw/zinc/87/79/62/461877962.db2.gz IFCLLQRXTUZPCH-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647903268 461877966 /nfs/dbraw/zinc/87/79/66/461877966.db2.gz IFCLLQRXTUZPCH-YQVWRLOYSA-N 2 2 329.488 3.094 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903279 461878415 /nfs/dbraw/zinc/87/84/15/461878415.db2.gz IPMFGSQLHBNKCY-KSSFIOAISA-N 2 2 346.425 3.115 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903279 461878418 /nfs/dbraw/zinc/87/84/18/461878418.db2.gz IPMFGSQLHBNKCY-KSSFIOAISA-N 2 2 346.425 3.115 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903557 461878523 /nfs/dbraw/zinc/87/85/23/461878523.db2.gz LSTLNLTWALYCRO-RDJZCZTQSA-N 2 2 325.456 3.123 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903557 461878527 /nfs/dbraw/zinc/87/85/27/461878527.db2.gz LSTLNLTWALYCRO-RDJZCZTQSA-N 2 2 325.456 3.123 10 0 EGAELP CC(C)N(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000656788997 461899750 /nfs/dbraw/zinc/89/97/50/461899750.db2.gz HRZXIYPHUIJSMH-WOJBJXKFSA-N 2 2 338.499 3.162 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655622 461907158 /nfs/dbraw/zinc/90/71/58/461907158.db2.gz OFNFPOPIOQLSDT-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655622 461907163 /nfs/dbraw/zinc/90/71/63/461907163.db2.gz OFNFPOPIOQLSDT-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655622 461907165 /nfs/dbraw/zinc/90/71/65/461907165.db2.gz OFNFPOPIOQLSDT-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655622 461907167 /nfs/dbraw/zinc/90/71/67/461907167.db2.gz OFNFPOPIOQLSDT-DNVCBOLYSA-N 2 2 326.444 3.215 10 0 EGAELP C[C@H](C[NH2+]Cc1c(F)cncc1Br)C[NH+]1CCCCC1 ZINC000657316381 462040705 /nfs/dbraw/zinc/04/07/05/462040705.db2.gz FAOUZAWTMBAKAZ-GFCCVEGCSA-N 2 2 344.272 3.195 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H]1c1cccs1 ZINC000657375445 462081309 /nfs/dbraw/zinc/08/13/09/462081309.db2.gz ZGURRCKKWLHCNR-KSSFIOAISA-N 2 2 330.501 3.064 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H]1c1cccs1 ZINC000657375445 462081314 /nfs/dbraw/zinc/08/13/14/462081314.db2.gz ZGURRCKKWLHCNR-KSSFIOAISA-N 2 2 330.501 3.064 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC000651195496 462130624 /nfs/dbraw/zinc/13/06/24/462130624.db2.gz PFQINRSJQFPFFU-KRWDZBQOSA-N 2 2 349.523 3.118 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651195496 462130628 /nfs/dbraw/zinc/13/06/28/462130628.db2.gz PFQINRSJQFPFFU-KRWDZBQOSA-N 2 2 349.523 3.118 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549176 462136622 /nfs/dbraw/zinc/13/66/22/462136622.db2.gz FAYUMIVIYXDRIT-HKUYNNGSSA-N 2 2 338.499 3.487 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549176 462136628 /nfs/dbraw/zinc/13/66/28/462136628.db2.gz FAYUMIVIYXDRIT-HKUYNNGSSA-N 2 2 338.499 3.487 10 0 EGAELP FC(F)(F)c1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000657549178 462177931 /nfs/dbraw/zinc/17/79/31/462177931.db2.gz ARYBHPCLEJULRL-UHFFFAOYSA-N 2 2 342.409 3.382 10 0 EGAELP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000657817504 462281523 /nfs/dbraw/zinc/28/15/23/462281523.db2.gz LYVPNPSPZWIVDS-CJNGLKHVSA-N 2 2 330.394 3.115 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699230 462307428 /nfs/dbraw/zinc/30/74/28/462307428.db2.gz LVCHORYXBSXIIP-UKRRQHHQSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699230 462307434 /nfs/dbraw/zinc/30/74/34/462307434.db2.gz LVCHORYXBSXIIP-UKRRQHHQSA-N 2 2 326.843 3.167 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661621229 462332946 /nfs/dbraw/zinc/33/29/46/462332946.db2.gz MNJWMURQQBLDRO-HZPDHXFCSA-N 2 2 329.488 3.464 10 0 EGAELP FCC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661690626 462367226 /nfs/dbraw/zinc/36/72/26/462367226.db2.gz SHVFWGLXFRWXSU-LJQANCHMSA-N 2 2 333.495 3.270 10 0 EGAELP FCC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661690626 462367231 /nfs/dbraw/zinc/36/72/31/462367231.db2.gz SHVFWGLXFRWXSU-LJQANCHMSA-N 2 2 333.495 3.270 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncc(F)c2)cc1F ZINC000665259677 462374821 /nfs/dbraw/zinc/37/48/21/462374821.db2.gz MSGCJYMMWLFQFW-IWEFOYFVSA-N 2 2 347.409 3.165 10 0 EGAELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)F)cc1OC(F)F ZINC000665277326 462381739 /nfs/dbraw/zinc/38/17/39/462381739.db2.gz ZDEPEICXXJDOEC-CYWKSYIRSA-N 2 2 348.340 3.292 10 0 EGAELP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)cc(Br)c1 ZINC000665279014 462381862 /nfs/dbraw/zinc/38/18/62/462381862.db2.gz UQAJHBWIRMDUHY-CUMGRINNSA-N 2 2 327.241 3.381 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665357620 462414705 /nfs/dbraw/zinc/41/47/05/462414705.db2.gz RJLOPADEDOSJRG-CVEARBPZSA-N 2 2 347.507 3.012 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665357620 462414716 /nfs/dbraw/zinc/41/47/16/462414716.db2.gz RJLOPADEDOSJRG-CVEARBPZSA-N 2 2 347.507 3.012 10 0 EGAELP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662096053 462524344 /nfs/dbraw/zinc/52/43/44/462524344.db2.gz TUGJMSSXOLGIHF-INIZCTEOSA-N 2 2 349.523 3.025 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)c1C ZINC000178288476 534776620 /nfs/dbraw/zinc/77/66/20/534776620.db2.gz GVZUSGSSHRQWGZ-INIZCTEOSA-N 2 2 346.500 3.281 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)c1C ZINC000178288476 534776631 /nfs/dbraw/zinc/77/66/31/534776631.db2.gz GVZUSGSSHRQWGZ-INIZCTEOSA-N 2 2 346.500 3.281 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189506 546653883 /nfs/dbraw/zinc/65/38/83/546653883.db2.gz PIQCLEODXVGDRU-HNAYVOBHSA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189506 546653889 /nfs/dbraw/zinc/65/38/89/546653889.db2.gz PIQCLEODXVGDRU-HNAYVOBHSA-N 2 2 326.488 3.292 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166427267 546986997 /nfs/dbraw/zinc/98/69/97/546986997.db2.gz ZGBBDCBMXDMYDQ-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166427267 546986999 /nfs/dbraw/zinc/98/69/99/546986999.db2.gz ZGBBDCBMXDMYDQ-CYBMUJFWSA-N 2 2 334.261 3.181 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1Cl ZINC000383697153 547821508 /nfs/dbraw/zinc/82/15/08/547821508.db2.gz RSJYZTDJYBVLNH-QLFBSQMISA-N 2 2 343.862 3.035 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1Cl ZINC000383697153 547821510 /nfs/dbraw/zinc/82/15/10/547821510.db2.gz RSJYZTDJYBVLNH-QLFBSQMISA-N 2 2 343.862 3.035 10 0 EGAELP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000676840354 549165647 /nfs/dbraw/zinc/16/56/47/549165647.db2.gz ZJEVIVSSOKKHNT-AWEZNQCLSA-N 2 2 345.512 3.443 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000678080785 549392887 /nfs/dbraw/zinc/39/28/87/549392887.db2.gz MYXLGPRNRSHTGK-WBMJQRKESA-N 2 2 341.415 3.226 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)o1 ZINC000678080785 549392890 /nfs/dbraw/zinc/39/28/90/549392890.db2.gz MYXLGPRNRSHTGK-WBMJQRKESA-N 2 2 341.415 3.226 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598231 549528074 /nfs/dbraw/zinc/52/80/74/549528074.db2.gz PBEZEBCWCSTFQU-YZGWKJHDSA-N 2 2 345.531 3.477 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598231 549528077 /nfs/dbraw/zinc/52/80/77/549528077.db2.gz PBEZEBCWCSTFQU-YZGWKJHDSA-N 2 2 345.531 3.477 10 0 EGAELP Oc1ccc2c(c1)CC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000680328845 549849659 /nfs/dbraw/zinc/84/96/59/549849659.db2.gz IVCHIPZMZNRJMC-UHFFFAOYSA-N 2 2 325.437 3.240 10 0 EGAELP Oc1ccc2c(c1)CC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000680328845 549849661 /nfs/dbraw/zinc/84/96/61/549849661.db2.gz IVCHIPZMZNRJMC-UHFFFAOYSA-N 2 2 325.437 3.240 10 0 EGAELP CC[NH+](CC)CCC[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000685042988 550396353 /nfs/dbraw/zinc/39/63/53/550396353.db2.gz GFNVGTOHGQFRIE-GOSISDBHSA-N 2 2 329.488 3.143 10 0 EGAELP CC[NH+](CC)CCC[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000685042988 550396354 /nfs/dbraw/zinc/39/63/54/550396354.db2.gz GFNVGTOHGQFRIE-GOSISDBHSA-N 2 2 329.488 3.143 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949474 576370192 /nfs/dbraw/zinc/37/01/92/576370192.db2.gz NNPQAWCXPAQTHO-OAHLLOKOSA-N 2 2 329.448 3.110 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949474 576370194 /nfs/dbraw/zinc/37/01/94/576370194.db2.gz NNPQAWCXPAQTHO-OAHLLOKOSA-N 2 2 329.448 3.110 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054241502 1291746700 /nfs/dbraw/zinc/74/67/00/1291746700.db2.gz REVRTRYQYWIXGQ-BBRMVZONSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054241502 1291746709 /nfs/dbraw/zinc/74/67/09/1291746709.db2.gz REVRTRYQYWIXGQ-BBRMVZONSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000054241504 1291747236 /nfs/dbraw/zinc/74/72/36/1291747236.db2.gz REVRTRYQYWIXGQ-XJKSGUPXSA-N 2 2 325.294 3.454 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000054241504 1291747240 /nfs/dbraw/zinc/74/72/40/1291747240.db2.gz REVRTRYQYWIXGQ-XJKSGUPXSA-N 2 2 325.294 3.454 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000103229229 1292997883 /nfs/dbraw/zinc/99/78/83/1292997883.db2.gz JSSKFRCWYHDYPJ-XLIONFOSSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000103229229 1292997891 /nfs/dbraw/zinc/99/78/91/1292997891.db2.gz JSSKFRCWYHDYPJ-XLIONFOSSA-N 2 2 334.479 3.447 10 0 EGAELP C[C@H]1CC[N@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121588581 1293379129 /nfs/dbraw/zinc/37/91/29/1293379129.db2.gz BYMUIPHNZOEEQD-SJCJKPOMSA-N 2 2 331.370 3.052 10 0 EGAELP C[C@H]1CC[N@@H+](Cn2cnc3cc(F)c(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121588581 1293379138 /nfs/dbraw/zinc/37/91/38/1293379138.db2.gz BYMUIPHNZOEEQD-SJCJKPOMSA-N 2 2 331.370 3.052 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000870979637 1296163659 /nfs/dbraw/zinc/16/36/59/1296163659.db2.gz QTYPTZGHTXWOKX-RBUKOAKNSA-N 2 2 337.467 3.016 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000870979637 1296163670 /nfs/dbraw/zinc/16/36/70/1296163670.db2.gz QTYPTZGHTXWOKX-RBUKOAKNSA-N 2 2 337.467 3.016 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248495530 1296417518 /nfs/dbraw/zinc/41/75/18/1296417518.db2.gz KWOVQJCKYYYFBT-MNOVXSKESA-N 2 2 345.256 3.286 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248495530 1296417522 /nfs/dbraw/zinc/41/75/22/1296417522.db2.gz KWOVQJCKYYYFBT-MNOVXSKESA-N 2 2 345.256 3.286 10 0 EGAELP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000872073915 1296719374 /nfs/dbraw/zinc/71/93/74/1296719374.db2.gz WXCIMSNBQBNQDK-GOEBONIOSA-N 2 2 341.455 3.342 10 0 EGAELP C[C@@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000386862079 1297593938 /nfs/dbraw/zinc/59/39/38/1297593938.db2.gz JQSIHJXWQAKCSU-KNQAVFIVSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000386862079 1297593946 /nfs/dbraw/zinc/59/39/46/1297593946.db2.gz JQSIHJXWQAKCSU-KNQAVFIVSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@H](NCC[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862079 1297593955 /nfs/dbraw/zinc/59/39/55/1297593955.db2.gz JQSIHJXWQAKCSU-KNQAVFIVSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862079 1297593961 /nfs/dbraw/zinc/59/39/61/1297593961.db2.gz JQSIHJXWQAKCSU-KNQAVFIVSA-N 2 2 337.511 3.371 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398084632 1297713135 /nfs/dbraw/zinc/71/31/35/1297713135.db2.gz HTKQUKOFWGHIBA-DNVCBOLYSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398084632 1297713138 /nfs/dbraw/zinc/71/31/38/1297713138.db2.gz HTKQUKOFWGHIBA-DNVCBOLYSA-N 2 2 342.439 3.066 10 0 EGAELP c1cn(C[C@H]([NH2+]Cc2cccc3c2CCOC3)c2ccccc2)c[nH+]1 ZINC000880570163 1301166314 /nfs/dbraw/zinc/16/63/14/1301166314.db2.gz QUZBNHLYWZJPEY-NRFANRHFSA-N 2 2 333.435 3.487 10 0 EGAELP C[NH+](C)C(C)(C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894145345 1306243756 /nfs/dbraw/zinc/24/37/56/1306243756.db2.gz AJHFPZWNGSFRFF-MQVJKMGUSA-N 2 2 339.524 3.094 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000894312975 1306337796 /nfs/dbraw/zinc/33/77/96/1306337796.db2.gz PGEHBDPNIMQWDJ-FZMZJTMJSA-N 2 2 344.377 3.064 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000894312975 1306337804 /nfs/dbraw/zinc/33/78/04/1306337804.db2.gz PGEHBDPNIMQWDJ-FZMZJTMJSA-N 2 2 344.377 3.064 10 0 EGAELP c1ccc(OCCCCC[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897227057 1310231291 /nfs/dbraw/zinc/23/12/91/1310231291.db2.gz ADNWPQOJGAYGCU-LJQANCHMSA-N 2 2 332.488 3.079 10 0 EGAELP c1ccc(OCCCCC[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897227057 1310231296 /nfs/dbraw/zinc/23/12/96/1310231296.db2.gz ADNWPQOJGAYGCU-LJQANCHMSA-N 2 2 332.488 3.079 10 0 EGAELP CC[N@@H+](Cc1cc(C)nnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754368 1328687777 /nfs/dbraw/zinc/68/77/77/1328687777.db2.gz NCVVRKBLEZNMQC-UHFFFAOYSA-N 2 2 339.487 3.227 10 0 EGAELP CC[N@H+](Cc1cc(C)nnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754368 1328687806 /nfs/dbraw/zinc/68/78/06/1328687806.db2.gz NCVVRKBLEZNMQC-UHFFFAOYSA-N 2 2 339.487 3.227 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000858205562 1328711192 /nfs/dbraw/zinc/71/11/92/1328711192.db2.gz ARDGRTDBJSOGII-QGZVFWFLSA-N 2 2 331.504 3.128 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)[nH+]1 ZINC000930478273 1328868404 /nfs/dbraw/zinc/86/84/04/1328868404.db2.gz YYZOWVOJRBLXNV-PVXIVEMSSA-N 2 2 336.480 3.150 10 0 EGAELP c1ccc(C[NH2+]C2CC[NH+](CCOC3CCSCC3)CC2)cc1 ZINC000930615765 1328917423 /nfs/dbraw/zinc/91/74/23/1328917423.db2.gz SUUAKOVEVWGWAU-UHFFFAOYSA-N 2 2 334.529 3.153 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)[C@H]1c1cccs1 ZINC000921775994 1322397088 /nfs/dbraw/zinc/39/70/88/1322397088.db2.gz JVFGCPFLBBXKES-RDJZCZTQSA-N 2 2 336.480 3.087 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)[C@H]1c1cccs1 ZINC000921775994 1322397092 /nfs/dbraw/zinc/39/70/92/1322397092.db2.gz JVFGCPFLBBXKES-RDJZCZTQSA-N 2 2 336.480 3.087 10 0 EGAELP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000921811064 1322402118 /nfs/dbraw/zinc/40/21/18/1322402118.db2.gz XSFSEJBEIAGHHV-UHFFFAOYSA-N 2 2 325.884 3.022 10 0 EGAELP O[C@H]1C[C@](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(c2ccccc2)C1 ZINC000922530038 1322550693 /nfs/dbraw/zinc/55/06/93/1322550693.db2.gz RVEZSQKZYLAQKY-MEMLXQNLSA-N 2 2 333.435 3.055 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(O)cc(F)c1 ZINC000924572845 1323058357 /nfs/dbraw/zinc/05/83/57/1323058357.db2.gz MMWKFUMFDCCMFV-OAHLLOKOSA-N 2 2 344.430 3.214 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924666335 1323102720 /nfs/dbraw/zinc/10/27/20/1323102720.db2.gz AHNKLSLWXLJRAL-HYJFEMIMSA-N 2 2 332.536 3.150 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924666335 1323102724 /nfs/dbraw/zinc/10/27/24/1323102724.db2.gz AHNKLSLWXLJRAL-HYJFEMIMSA-N 2 2 332.536 3.150 10 0 EGAELP CC1(C)CC2(CC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C2)CO1 ZINC000924775149 1323157001 /nfs/dbraw/zinc/15/70/01/1323157001.db2.gz GYQYJOJHROUGSD-UHFFFAOYSA-N 2 2 329.419 3.449 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccns1 ZINC000924965089 1323230646 /nfs/dbraw/zinc/23/06/46/1323230646.db2.gz VTJOCOSLQYXSEM-KBPBESRZSA-N 2 2 348.491 3.446 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680260 1329163008 /nfs/dbraw/zinc/16/30/08/1329163008.db2.gz SXFFLUDCNOSHFP-UHFFFAOYSA-N 2 2 333.439 3.341 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680260 1329163013 /nfs/dbraw/zinc/16/30/13/1329163013.db2.gz SXFFLUDCNOSHFP-UHFFFAOYSA-N 2 2 333.439 3.341 10 0 EGAELP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925148900 1325066216 /nfs/dbraw/zinc/06/62/16/1325066216.db2.gz LHBYJYQGUKQJDJ-RTWAWAEBSA-N 2 2 345.531 3.372 10 0 EGAELP FC(F)(F)c1cnc(OCC[NH2+][C@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000925579891 1325219290 /nfs/dbraw/zinc/21/92/90/1325219290.db2.gz HTUDFWOKLWGJLL-LBPRGKRZSA-N 2 2 349.784 3.007 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000925619120 1325233372 /nfs/dbraw/zinc/23/33/72/1325233372.db2.gz XTBQIWVEBLTOLR-PWIZWCRZSA-N 2 2 344.499 3.186 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)(F)F ZINC000925777192 1325297163 /nfs/dbraw/zinc/29/71/63/1325297163.db2.gz CASWPVHDBDQZOE-MNOVXSKESA-N 2 2 338.320 3.481 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286626 1325504585 /nfs/dbraw/zinc/50/45/85/1325504585.db2.gz IQOSNMMHUPSEAR-WMLDXEAASA-N 2 2 337.895 3.203 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286626 1325504588 /nfs/dbraw/zinc/50/45/88/1325504588.db2.gz IQOSNMMHUPSEAR-WMLDXEAASA-N 2 2 337.895 3.203 10 0 EGAELP 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C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC001293649670 1382324523 /nfs/dbraw/zinc/32/45/23/1382324523.db2.gz NDKFOCSAOKJYJD-ZACQAIPSSA-N 2 2 346.519 3.145 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)n1cc[nH+]c1 ZINC001328621013 1388791048 /nfs/dbraw/zinc/79/10/48/1388791048.db2.gz FKPXJEMJWNQNBF-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP Brc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2ccccc12 ZINC001167100905 1383539547 /nfs/dbraw/zinc/53/95/47/1383539547.db2.gz QSDYBDLTRRLNKT-GJZGRUSLSA-N 2 2 331.257 3.254 10 0 EGAELP Cc1cc2c(cc1Br)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC001308103215 1384092802 /nfs/dbraw/zinc/09/28/02/1384092802.db2.gz GIBLSFIANSIEPP-UHFFFAOYSA-N 2 2 348.288 3.482 10 0 EGAELP Cc1cc2c(cc1Br)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC001308103215 1384092803 /nfs/dbraw/zinc/09/28/03/1384092803.db2.gz GIBLSFIANSIEPP-UHFFFAOYSA-N 2 2 348.288 3.482 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001169226161 1384125023 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SOKLFVGEFZDHII-XDXAGZTOSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316879040 1384663716 /nfs/dbraw/zinc/66/37/16/1384663716.db2.gz KNADILADDKZRSD-MJGOQNOKSA-N 2 2 346.519 3.213 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329030418 1388937560 /nfs/dbraw/zinc/93/75/60/1388937560.db2.gz AQTZDWPONSASKW-NXVGNOFTSA-N 2 2 342.487 3.486 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001329033556 1388938480 /nfs/dbraw/zinc/93/84/80/1388938480.db2.gz IEUYVPQSJBXSPF-CABCVRRESA-N 2 2 330.476 3.175 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001317173403 1384942109 /nfs/dbraw/zinc/94/21/09/1384942109.db2.gz OAFINCYKBRUNKF-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001317173403 1384942112 /nfs/dbraw/zinc/94/21/12/1384942112.db2.gz OAFINCYKBRUNKF-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP 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EGAELP CCC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691506223 1405309428 /nfs/dbraw/zinc/30/94/28/1405309428.db2.gz KEYNLEURZTUFOI-RGCXXZPPSA-N 2 2 340.471 3.407 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691599027 1405351169 /nfs/dbraw/zinc/35/11/69/1405351169.db2.gz OZUHMMGWMQMXJG-ZGKJDNBHSA-N 2 2 346.519 3.157 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001691636588 1405372817 /nfs/dbraw/zinc/37/28/17/1405372817.db2.gz ITEPKDDMQFKDGJ-KRWDZBQOSA-N 2 2 334.508 3.058 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864570 1405584023 /nfs/dbraw/zinc/58/40/23/1405584023.db2.gz OZMHFQQJMAPDSF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864570 1405584027 /nfs/dbraw/zinc/58/40/27/1405584027.db2.gz OZMHFQQJMAPDSF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864570 1405584031 /nfs/dbraw/zinc/58/40/31/1405584031.db2.gz OZMHFQQJMAPDSF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864570 1405584033 /nfs/dbraw/zinc/58/40/33/1405584033.db2.gz OZMHFQQJMAPDSF-QFBILLFUSA-N 2 2 346.519 3.091 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691870118 1405592551 /nfs/dbraw/zinc/59/25/51/1405592551.db2.gz VQCPIDCEWHUTKF-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691870118 1405592555 /nfs/dbraw/zinc/59/25/55/1405592555.db2.gz VQCPIDCEWHUTKF-IBGZPJMESA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892853 1405614861 /nfs/dbraw/zinc/61/48/61/1405614861.db2.gz IKMKGCNAPJRGFO-MOPGFXCFSA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892853 1405614866 /nfs/dbraw/zinc/61/48/66/1405614866.db2.gz IKMKGCNAPJRGFO-MOPGFXCFSA-N 2 2 346.519 3.265 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691899581 1405622794 /nfs/dbraw/zinc/62/27/94/1405622794.db2.gz DTXDRHCLFQTEER-DLBZAZTESA-N 2 2 348.535 3.054 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001692211699 1405847200 /nfs/dbraw/zinc/84/72/00/1405847200.db2.gz UYCIEQJXJVTFAY-FCEWJHQRSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001692211699 1405847205 /nfs/dbraw/zinc/84/72/05/1405847205.db2.gz UYCIEQJXJVTFAY-FCEWJHQRSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001692211699 1405847213 /nfs/dbraw/zinc/84/72/13/1405847213.db2.gz UYCIEQJXJVTFAY-FCEWJHQRSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001692211699 1405847217 /nfs/dbraw/zinc/84/72/17/1405847217.db2.gz UYCIEQJXJVTFAY-FCEWJHQRSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692329413 1405947688 /nfs/dbraw/zinc/94/76/88/1405947688.db2.gz IJNNWIGVIXRRGS-ZWKOTPCHSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001731998155 1428207496 /nfs/dbraw/zinc/20/74/96/1428207496.db2.gz AHGRPNNGFFRLSJ-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001731998102 1428207660 /nfs/dbraw/zinc/20/76/60/1428207660.db2.gz AAHMTMJOTXBPQW-LZCSOBMZSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001731998102 1428207669 /nfs/dbraw/zinc/20/76/69/1428207669.db2.gz AAHMTMJOTXBPQW-LZCSOBMZSA-N 2 2 346.519 3.161 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001731998158 1428207875 /nfs/dbraw/zinc/20/78/75/1428207875.db2.gz AHGRPNNGFFRLSJ-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001732072722 1428322201 /nfs/dbraw/zinc/32/22/01/1428322201.db2.gz UJCLRMUYFKBTDH-RBUKOAKNSA-N 2 2 346.519 3.051 10 0 EGAELP CC(C)C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001732072722 1428322204 /nfs/dbraw/zinc/32/22/04/1428322204.db2.gz UJCLRMUYFKBTDH-RBUKOAKNSA-N 2 2 346.519 3.051 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076957 1428328816 /nfs/dbraw/zinc/32/88/16/1428328816.db2.gz UPMKTGDVJOVULW-PKOBYXMFSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001732076957 1428328819 /nfs/dbraw/zinc/32/88/19/1428328819.db2.gz UPMKTGDVJOVULW-PKOBYXMFSA-N 2 2 346.519 3.195 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185080 1428433559 /nfs/dbraw/zinc/43/35/59/1428433559.db2.gz KHTYTBRTUSQLPF-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185080 1428433562 /nfs/dbraw/zinc/43/35/62/1428433562.db2.gz KHTYTBRTUSQLPF-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732185080 1428433563 /nfs/dbraw/zinc/43/35/63/1428433563.db2.gz KHTYTBRTUSQLPF-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732185080 1428433564 /nfs/dbraw/zinc/43/35/64/1428433564.db2.gz KHTYTBRTUSQLPF-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCC(C)(C)C ZINC001732199916 1428450456 /nfs/dbraw/zinc/45/04/56/1428450456.db2.gz TVGHHCBJMDAVMC-INIZCTEOSA-N 2 2 330.476 3.177 10 0 EGAELP C[C@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001732252584 1428494536 /nfs/dbraw/zinc/49/45/36/1428494536.db2.gz HMYRNEXZUYQBGX-HXUWFJFHSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)(C)CCC[NH2+]CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001732275830 1428509788 /nfs/dbraw/zinc/50/97/88/1428509788.db2.gz FPWNMRUPFAFMHP-GOSISDBHSA-N 2 2 348.535 3.318 10 0 EGAELP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001732307611 1428522272 /nfs/dbraw/zinc/52/22/72/1428522272.db2.gz HVBQJJQYNKAEHI-QAQDUYKDSA-N 2 2 328.460 3.073 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001732312299 1428524896 /nfs/dbraw/zinc/52/48/96/1428524896.db2.gz VUNNCVPSVDHFQW-KJUCQMERSA-N 2 2 332.492 3.208 10 0 EGAELP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732425085 1428575820 /nfs/dbraw/zinc/57/58/20/1428575820.db2.gz BPGJFEMKQCTZIY-CQSZACIVSA-N 2 2 328.460 3.193 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001732422480 1428574847 /nfs/dbraw/zinc/57/48/47/1428574847.db2.gz GQKSLEYBNDQSSB-PKOBYXMFSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001732480944 1428606132 /nfs/dbraw/zinc/60/61/32/1428606132.db2.gz XKIDOPJSCDKJRA-SFHVURJKSA-N 2 2 348.535 3.364 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001732490059 1428612673 /nfs/dbraw/zinc/61/26/73/1428612673.db2.gz XDLMWLIGOPRLNA-QAPCUYQASA-N 2 2 340.471 3.049 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001699372623 1412679549 /nfs/dbraw/zinc/67/95/49/1412679549.db2.gz WIPNHRZJLVQYOW-CQSZACIVSA-N 2 2 331.485 3.019 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C/C=C/c3ccccc3)ccn12 ZINC001699403840 1412717271 /nfs/dbraw/zinc/71/72/71/1412717271.db2.gz PFFCKAALMQNBCH-FSNWXROXSA-N 2 2 348.450 3.064 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001699633875 1413007265 /nfs/dbraw/zinc/00/72/65/1413007265.db2.gz IVXCSRGLOAMKRX-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001699633875 1413007268 /nfs/dbraw/zinc/00/72/68/1413007268.db2.gz IVXCSRGLOAMKRX-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001699743925 1413154713 /nfs/dbraw/zinc/15/47/13/1413154713.db2.gz RQXWRUMQKXNVKK-IRXDYDNUSA-N 2 2 334.508 3.069 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010723 1413452637 /nfs/dbraw/zinc/45/26/37/1413452637.db2.gz JPBXVYZFOHUATH-ZAWLATJESA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700010723 1413452638 /nfs/dbraw/zinc/45/26/38/1413452638.db2.gz JPBXVYZFOHUATH-ZAWLATJESA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010723 1413452641 /nfs/dbraw/zinc/45/26/41/1413452641.db2.gz JPBXVYZFOHUATH-ZAWLATJESA-N 2 2 344.503 3.159 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700010723 1413452642 /nfs/dbraw/zinc/45/26/42/1413452642.db2.gz JPBXVYZFOHUATH-ZAWLATJESA-N 2 2 344.503 3.159 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292006 1413746366 /nfs/dbraw/zinc/74/63/66/1413746366.db2.gz HRKZLGOIYANJHK-WMZOPIPTSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001700292006 1413746368 /nfs/dbraw/zinc/74/63/68/1413746368.db2.gz HRKZLGOIYANJHK-WMZOPIPTSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292006 1413746371 /nfs/dbraw/zinc/74/63/71/1413746371.db2.gz HRKZLGOIYANJHK-WMZOPIPTSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001700292006 1413746372 /nfs/dbraw/zinc/74/63/72/1413746372.db2.gz HRKZLGOIYANJHK-WMZOPIPTSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360814 1413872283 /nfs/dbraw/zinc/87/22/83/1413872283.db2.gz QRAACVVNVROEBP-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360814 1413872288 /nfs/dbraw/zinc/87/22/88/1413872288.db2.gz QRAACVVNVROEBP-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001700360814 1413872295 /nfs/dbraw/zinc/87/22/95/1413872295.db2.gz QRAACVVNVROEBP-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001700360814 1413872302 /nfs/dbraw/zinc/87/23/02/1413872302.db2.gz QRAACVVNVROEBP-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP Cc1cccc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC001732570128 1428764584 /nfs/dbraw/zinc/76/45/84/1428764584.db2.gz RNJLUVVGGJGRPI-PKOBYXMFSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC([N@H+](C)CCC(C)(C)C)CC2)c[nH+]1 ZINC001700693154 1414345292 /nfs/dbraw/zinc/34/52/92/1414345292.db2.gz DBCQRWQMFQNVRA-UHFFFAOYSA-N 2 2 348.535 3.286 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC([N@@H+](C)CCC(C)(C)C)CC2)c[nH+]1 ZINC001700693154 1414345296 /nfs/dbraw/zinc/34/52/96/1414345296.db2.gz DBCQRWQMFQNVRA-UHFFFAOYSA-N 2 2 348.535 3.286 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001700864513 1414515118 /nfs/dbraw/zinc/51/51/18/1414515118.db2.gz GQBBCFOBQRLWOJ-FXAWDEMLSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001700864513 1414515125 /nfs/dbraw/zinc/51/51/25/1414515125.db2.gz GQBBCFOBQRLWOJ-FXAWDEMLSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001700864513 1414515128 /nfs/dbraw/zinc/51/51/28/1414515128.db2.gz GQBBCFOBQRLWOJ-FXAWDEMLSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001700864513 1414515130 /nfs/dbraw/zinc/51/51/30/1414515130.db2.gz GQBBCFOBQRLWOJ-FXAWDEMLSA-N 2 2 346.519 3.282 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866931 1414519254 /nfs/dbraw/zinc/51/92/54/1414519254.db2.gz OWNJSYCORAKRTA-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866931 1414519258 /nfs/dbraw/zinc/51/92/58/1414519258.db2.gz OWNJSYCORAKRTA-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001700866931 1414519261 /nfs/dbraw/zinc/51/92/61/1414519261.db2.gz OWNJSYCORAKRTA-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001700866931 1414519263 /nfs/dbraw/zinc/51/92/63/1414519263.db2.gz OWNJSYCORAKRTA-ICSRJNTNSA-N 2 2 344.503 3.036 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001701060163 1414716065 /nfs/dbraw/zinc/71/60/65/1414716065.db2.gz NHGMHLKKXPKAQC-QGZVFWFLSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001701060163 1414716067 /nfs/dbraw/zinc/71/60/67/1414716067.db2.gz NHGMHLKKXPKAQC-QGZVFWFLSA-N 2 2 344.503 3.163 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733685964 1429902061 /nfs/dbraw/zinc/90/20/61/1429902061.db2.gz DTJDZUAHCDAOQS-WKILWMFISA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733685964 1429902067 /nfs/dbraw/zinc/90/20/67/1429902067.db2.gz DTJDZUAHCDAOQS-WKILWMFISA-N 2 2 334.508 3.043 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CCCC(C)C)ccn12 ZINC001732692818 1428912206 /nfs/dbraw/zinc/91/22/06/1428912206.db2.gz SXKBBGSJWUVSMT-HNNXBMFYSA-N 2 2 330.476 3.177 10 0 EGAELP CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707445811 1417349896 /nfs/dbraw/zinc/34/98/96/1417349896.db2.gz UVEPMPKIBQKZRF-IAGOWNOFSA-N 2 2 342.487 3.353 10 0 EGAELP O=C(NCCC[N@H+](Cc1ccccc1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713038993 1417590036 /nfs/dbraw/zinc/59/00/36/1417590036.db2.gz PKXYXNRANAUVMX-UHFFFAOYSA-N 2 2 348.450 3.347 10 0 EGAELP O=C(NCCC[N@@H+](Cc1ccccc1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713038993 1417590040 /nfs/dbraw/zinc/59/00/40/1417590040.db2.gz PKXYXNRANAUVMX-UHFFFAOYSA-N 2 2 348.450 3.347 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)C)CC[C@@H]21 ZINC001713184852 1417760274 /nfs/dbraw/zinc/76/02/74/1417760274.db2.gz RRMVZUBUHQEZEH-MJGOQNOKSA-N 2 2 346.519 3.010 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC(C)C)CC[C@@H]21 ZINC001713184852 1417760278 /nfs/dbraw/zinc/76/02/78/1417760278.db2.gz RRMVZUBUHQEZEH-MJGOQNOKSA-N 2 2 346.519 3.010 10 0 EGAELP CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713391697 1418004035 /nfs/dbraw/zinc/00/40/35/1418004035.db2.gz JDKBPTRDAXCAJT-QAPCUYQASA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713391697 1418004037 /nfs/dbraw/zinc/00/40/37/1418004037.db2.gz JDKBPTRDAXCAJT-QAPCUYQASA-N 2 2 342.487 3.225 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001733114172 1429248101 /nfs/dbraw/zinc/24/81/01/1429248101.db2.gz XGTJEBPAPGVTEX-INIZCTEOSA-N 2 2 330.476 3.068 10 0 EGAELP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713764383 1418576112 /nfs/dbraw/zinc/57/61/12/1418576112.db2.gz AFKKKAGFZLUSMS-UBZMYNMCSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713764383 1418576115 /nfs/dbraw/zinc/57/61/15/1418576115.db2.gz AFKKKAGFZLUSMS-UBZMYNMCSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713764383 1418576122 /nfs/dbraw/zinc/57/61/22/1418576122.db2.gz AFKKKAGFZLUSMS-UBZMYNMCSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713764383 1418576129 /nfs/dbraw/zinc/57/61/29/1418576129.db2.gz AFKKKAGFZLUSMS-UBZMYNMCSA-N 2 2 344.503 3.040 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001713849977 1418645866 /nfs/dbraw/zinc/64/58/66/1418645866.db2.gz OKGYCFUBPREMHH-MSOLQXFVSA-N 2 2 346.519 3.385 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900212 1418700130 /nfs/dbraw/zinc/70/01/30/1418700130.db2.gz SDUMXYOURGUVRS-LXXRFIIISA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900212 1418700132 /nfs/dbraw/zinc/70/01/32/1418700132.db2.gz SDUMXYOURGUVRS-LXXRFIIISA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001343 1418780987 /nfs/dbraw/zinc/78/09/87/1418780987.db2.gz VHUPGORVJWZJJA-QWNKOJSDSA-N 2 2 340.471 3.145 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001343 1418780991 /nfs/dbraw/zinc/78/09/91/1418780991.db2.gz VHUPGORVJWZJJA-QWNKOJSDSA-N 2 2 340.471 3.145 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001714245948 1419032531 /nfs/dbraw/zinc/03/25/31/1419032531.db2.gz UZINEXVTFBXUNC-PKOBYXMFSA-N 2 2 342.487 3.073 10 0 EGAELP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714405069 1419146997 /nfs/dbraw/zinc/14/69/97/1419146997.db2.gz YJJFVBMMGJZUHE-JKSUJKDBSA-N 2 2 328.460 3.240 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+][C@@H](C)c2ccccc2)c[nH+]1 ZINC001714475591 1419199280 /nfs/dbraw/zinc/19/92/80/1419199280.db2.gz QZLZXWLBWOWKAO-WBVHZDCISA-N 2 2 342.487 3.172 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714810125 1419520972 /nfs/dbraw/zinc/52/09/72/1419520972.db2.gz DBQBMOJBLPRXMO-NVXWUHKLSA-N 2 2 348.535 3.189 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCCCCC1 ZINC001714832703 1419543698 /nfs/dbraw/zinc/54/36/98/1419543698.db2.gz MIXOIFWBDKADES-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCCCCC1 ZINC001714832703 1419543699 /nfs/dbraw/zinc/54/36/99/1419543699.db2.gz MIXOIFWBDKADES-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP 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ZINC001717455466 1421384950 /nfs/dbraw/zinc/38/49/50/1421384950.db2.gz NUDGCQMTXFSPQA-HNNXBMFYSA-N 2 2 330.476 3.068 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001717749923 1421612732 /nfs/dbraw/zinc/61/27/32/1421612732.db2.gz LFLBBIXNTLAJFS-HNNXBMFYSA-N 2 2 346.519 3.094 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)ccn12 ZINC001717958663 1421730528 /nfs/dbraw/zinc/73/05/28/1421730528.db2.gz HPLLDAGOKIZSCV-QGZVFWFLSA-N 2 2 344.503 3.423 10 0 EGAELP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001733392354 1429582391 /nfs/dbraw/zinc/58/23/91/1429582391.db2.gz CMEADQHHKIQRHY-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001733392354 1429582394 /nfs/dbraw/zinc/58/23/94/1429582394.db2.gz CMEADQHHKIQRHY-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733424379 1429632112 /nfs/dbraw/zinc/63/21/12/1429632112.db2.gz 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ZINC001725749217 1426427404 /nfs/dbraw/zinc/42/74/04/1426427404.db2.gz YMSZETFQAAJCHO-MRXNPFEDSA-N 2 2 336.524 3.093 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001731291787 1427233891 /nfs/dbraw/zinc/23/38/91/1427233891.db2.gz GSPNAQPDFMSJEH-WMZOPIPTSA-N 2 2 348.535 3.148 10 0 EGAELP CC/C=C/CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396211 1427352294 /nfs/dbraw/zinc/35/22/94/1427352294.db2.gz MXQKZQCNFCBZDG-WHLIDYPQSA-N 2 2 326.444 3.017 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001731531036 1427521568 /nfs/dbraw/zinc/52/15/68/1427521568.db2.gz NWLZTPYQDMQMES-GOSISDBHSA-N 2 2 346.519 3.059 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001731572509 1427614842 /nfs/dbraw/zinc/61/48/42/1427614842.db2.gz YZOFANFBRPHXHV-OOHWJJMZSA-N 2 2 346.519 3.042 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001731572509 1427614849 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346.519 3.070 10 0 EGAELP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001734241532 1437956035 /nfs/dbraw/zinc/95/60/35/1437956035.db2.gz FNXYIEXTVAWVKE-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734393470 1438080045 /nfs/dbraw/zinc/08/00/45/1438080045.db2.gz WBFFXJFYRWCHJN-AEFFLSMTSA-N 2 2 342.487 3.416 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001734440552 1438102623 /nfs/dbraw/zinc/10/26/23/1438102623.db2.gz DXIXUZYABMJVLR-ABQVSZSXSA-N 2 2 344.503 3.133 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001734440552 1438102625 /nfs/dbraw/zinc/10/26/25/1438102625.db2.gz DXIXUZYABMJVLR-ABQVSZSXSA-N 2 2 344.503 3.133 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485005 1438128437 /nfs/dbraw/zinc/12/84/37/1438128437.db2.gz IUWAEXIWSMISQS-ROUUACIJSA-N 2 2 344.503 3.026 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001750931619 1440113137 /nfs/dbraw/zinc/11/31/37/1440113137.db2.gz WCNAVGZONHRQJB-AEFFLSMTSA-N 2 2 348.535 3.256 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001750931619 1440113139 /nfs/dbraw/zinc/11/31/39/1440113139.db2.gz WCNAVGZONHRQJB-AEFFLSMTSA-N 2 2 348.535 3.256 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368103587 168311709 /nfs/dbraw/zinc/31/17/09/168311709.db2.gz XBUODKBZCNVNNF-OCCSQVGLSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368103587 168311710 /nfs/dbraw/zinc/31/17/10/168311710.db2.gz XBUODKBZCNVNNF-OCCSQVGLSA-N 2 2 346.862 3.236 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cs1 ZINC000368104798 168311767 /nfs/dbraw/zinc/31/17/67/168311767.db2.gz JRIIVGDSGSDXLK-WPRPVWTQSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cs1 ZINC000368104798 168311769 /nfs/dbraw/zinc/31/17/69/168311769.db2.gz JRIIVGDSGSDXLK-WPRPVWTQSA-N 2 2 326.263 3.442 10 0 EGAELP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1Br ZINC000368496761 168364845 /nfs/dbraw/zinc/36/48/45/168364845.db2.gz RRVMDSDQHJLIST-UHFFFAOYSA-N 2 2 338.224 3.411 10 0 EGAELP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513192 168366019 /nfs/dbraw/zinc/36/60/19/168366019.db2.gz BGQPLXLZMWQIEO-AZUAARDMSA-N 2 2 339.483 3.441 10 0 EGAELP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000368513192 168366021 /nfs/dbraw/zinc/36/60/21/168366021.db2.gz BGQPLXLZMWQIEO-AZUAARDMSA-N 2 2 339.483 3.441 10 0 EGAELP C[N@@H+](Cc1cnn2ccccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000179602166 530018929 /nfs/dbraw/zinc/01/89/29/530018929.db2.gz BGFYBTPIAQZQEP-LJQANCHMSA-N 2 2 334.467 3.288 10 0 EGAELP C[N@H+](Cc1cnn2ccccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000179602166 530018930 /nfs/dbraw/zinc/01/89/30/530018930.db2.gz BGFYBTPIAQZQEP-LJQANCHMSA-N 2 2 334.467 3.288 10 0 EGAELP C[NH+](Cc1cnn2ccccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179602166 530018931 /nfs/dbraw/zinc/01/89/31/530018931.db2.gz BGFYBTPIAQZQEP-LJQANCHMSA-N 2 2 334.467 3.288 10 0 EGAELP C[NH+](Cc1cnn2ccccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000179602166 530018932 /nfs/dbraw/zinc/01/89/32/530018932.db2.gz BGFYBTPIAQZQEP-LJQANCHMSA-N 2 2 334.467 3.288 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247059329 283293374 /nfs/dbraw/zinc/29/33/74/283293374.db2.gz WASXWFQYQWEYSY-ICSRJNTNSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247059329 283293380 /nfs/dbraw/zinc/29/33/80/283293380.db2.gz WASXWFQYQWEYSY-ICSRJNTNSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247059329 283293386 /nfs/dbraw/zinc/29/33/86/283293386.db2.gz WASXWFQYQWEYSY-ICSRJNTNSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247059329 283293393 /nfs/dbraw/zinc/29/33/93/283293393.db2.gz WASXWFQYQWEYSY-ICSRJNTNSA-N 2 2 345.531 3.148 10 0 EGAELP COc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1OC(F)F ZINC000371335743 242035535 /nfs/dbraw/zinc/03/55/35/242035535.db2.gz LQGAEONOZKCRBI-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099078 242231679 /nfs/dbraw/zinc/23/16/79/242231679.db2.gz VZIMUWYGJRWEGM-BRWVUGGUSA-N 2 2 346.425 3.278 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099078 242231683 /nfs/dbraw/zinc/23/16/83/242231683.db2.gz VZIMUWYGJRWEGM-BRWVUGGUSA-N 2 2 346.425 3.278 10 0 EGAELP Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000093336781 218215666 /nfs/dbraw/zinc/21/56/66/218215666.db2.gz STJDDMLANIPSPS-SFHVURJKSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000093336781 218215669 /nfs/dbraw/zinc/21/56/69/218215669.db2.gz STJDDMLANIPSPS-SFHVURJKSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000093336781 218215671 /nfs/dbraw/zinc/21/56/71/218215671.db2.gz STJDDMLANIPSPS-SFHVURJKSA-N 2 2 325.456 3.050 10 0 EGAELP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000093336781 218215674 /nfs/dbraw/zinc/21/56/74/218215674.db2.gz STJDDMLANIPSPS-SFHVURJKSA-N 2 2 325.456 3.050 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643767 218237637 /nfs/dbraw/zinc/23/76/37/218237637.db2.gz HVFHSCKMMACLAR-UKRRQHHQSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643767 218237639 /nfs/dbraw/zinc/23/76/39/218237639.db2.gz HVFHSCKMMACLAR-UKRRQHHQSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643767 218237641 /nfs/dbraw/zinc/23/76/41/218237641.db2.gz HVFHSCKMMACLAR-UKRRQHHQSA-N 2 2 338.517 3.340 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(SC)cc1OC ZINC000093643767 218237644 /nfs/dbraw/zinc/23/76/44/218237644.db2.gz HVFHSCKMMACLAR-UKRRQHHQSA-N 2 2 338.517 3.340 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@@H+]1Cc1ccccc1 ZINC000095419488 218359253 /nfs/dbraw/zinc/35/92/53/218359253.db2.gz IJOAVGIIMHUCIW-LPHOPBHVSA-N 2 2 338.451 3.210 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@H+]1Cc1ccccc1 ZINC000095419488 218359254 /nfs/dbraw/zinc/35/92/54/218359254.db2.gz IJOAVGIIMHUCIW-LPHOPBHVSA-N 2 2 338.451 3.210 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736098 252186747 /nfs/dbraw/zinc/18/67/47/252186747.db2.gz VRFWNWLFYRLUMC-YLJYHZDGSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000268736098 252186750 /nfs/dbraw/zinc/18/67/50/252186750.db2.gz VRFWNWLFYRLUMC-YLJYHZDGSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268746466 252196687 /nfs/dbraw/zinc/19/66/87/252196687.db2.gz HUBNJVKMOBLGEZ-UTKZUKDTSA-N 3 2 327.516 3.113 10 0 EGAELP COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876709 221095879 /nfs/dbraw/zinc/09/58/79/221095879.db2.gz RETZIZYCEIJROQ-LPHOPBHVSA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876709 221095880 /nfs/dbraw/zinc/09/58/80/221095880.db2.gz RETZIZYCEIJROQ-LPHOPBHVSA-N 2 2 339.439 3.038 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237433519 141002179 /nfs/dbraw/zinc/00/21/79/141002179.db2.gz IGACKSKORSUGDW-OWCLPIDISA-N 2 2 349.906 3.063 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246894653 141042288 /nfs/dbraw/zinc/04/22/88/141042288.db2.gz JFKWTSYEDQZZDH-QAPCUYQASA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246894653 141042289 /nfs/dbraw/zinc/04/22/89/141042289.db2.gz JFKWTSYEDQZZDH-QAPCUYQASA-N 2 2 326.444 3.022 10 0 EGAELP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338177963 141105262 /nfs/dbraw/zinc/10/52/62/141105262.db2.gz TWTWHZPSWOEWQD-MRXNPFEDSA-N 2 2 337.423 3.183 10 0 EGAELP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000338177963 141105265 /nfs/dbraw/zinc/10/52/65/141105265.db2.gz TWTWHZPSWOEWQD-MRXNPFEDSA-N 2 2 337.423 3.183 10 0 EGAELP CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C(C)C ZINC000348447652 141245710 /nfs/dbraw/zinc/24/57/10/141245710.db2.gz WHBNLECHCQMLBY-KSSFIOAISA-N 2 2 344.459 3.054 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171921356 144012843 /nfs/dbraw/zinc/01/28/43/144012843.db2.gz ZTYCLPSJFOETKR-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000171921356 144012845 /nfs/dbraw/zinc/01/28/45/144012845.db2.gz ZTYCLPSJFOETKR-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583867 144023476 /nfs/dbraw/zinc/02/34/76/144023476.db2.gz CXGHCEFGJYPJAN-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583867 144023478 /nfs/dbraw/zinc/02/34/78/144023478.db2.gz CXGHCEFGJYPJAN-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583867 144023479 /nfs/dbraw/zinc/02/34/79/144023479.db2.gz CXGHCEFGJYPJAN-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583867 144023481 /nfs/dbraw/zinc/02/34/81/144023481.db2.gz CXGHCEFGJYPJAN-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000173529337 144044471 /nfs/dbraw/zinc/04/44/71/144044471.db2.gz VRKGQAACQVROAA-PKOBYXMFSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000173529337 144044473 /nfs/dbraw/zinc/04/44/73/144044473.db2.gz VRKGQAACQVROAA-PKOBYXMFSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529337 144044475 /nfs/dbraw/zinc/04/44/75/144044475.db2.gz VRKGQAACQVROAA-PKOBYXMFSA-N 2 2 345.531 3.228 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC[NH+]1C ZINC000173529337 144044476 /nfs/dbraw/zinc/04/44/76/144044476.db2.gz VRKGQAACQVROAA-PKOBYXMFSA-N 2 2 345.531 3.228 10 0 EGAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000185978486 144123695 /nfs/dbraw/zinc/12/36/95/144123695.db2.gz NWLJBNBGTDYSPL-CJNGLKHVSA-N 2 2 328.859 3.367 10 0 EGAELP C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363778 144157820 /nfs/dbraw/zinc/15/78/20/144157820.db2.gz CFPCUCOWKNTHLN-AWEZNQCLSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363778 144157822 /nfs/dbraw/zinc/15/78/22/144157822.db2.gz CFPCUCOWKNTHLN-AWEZNQCLSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@@H](c1cccc(Cl)c1F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000187363778 144157824 /nfs/dbraw/zinc/15/78/24/144157824.db2.gz CFPCUCOWKNTHLN-AWEZNQCLSA-N 2 2 341.902 3.498 10 0 EGAELP C[C@@H](c1cccc(Cl)c1F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000187363778 144157825 /nfs/dbraw/zinc/15/78/25/144157825.db2.gz CFPCUCOWKNTHLN-AWEZNQCLSA-N 2 2 341.902 3.498 10 0 EGAELP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000121790990 152371154 /nfs/dbraw/zinc/37/11/54/152371154.db2.gz YGYMYIKUIMFABG-UHFFFAOYSA-N 2 2 338.455 3.359 10 0 EGAELP Cc1cn2c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)c(C)nc2s1 ZINC000121797243 152373080 /nfs/dbraw/zinc/37/30/80/152373080.db2.gz ZMHIRRFCABIUPZ-UHFFFAOYSA-N 2 2 343.500 3.201 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000327315263 154186963 /nfs/dbraw/zinc/18/69/63/154186963.db2.gz SFSCYNICLHTHPN-QAPCUYQASA-N 2 2 335.407 3.363 10 0 EGAELP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000327315264 154187018 /nfs/dbraw/zinc/18/70/18/154187018.db2.gz SFSCYNICLHTHPN-YJBOKZPZSA-N 2 2 335.407 3.363 10 0 EGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486063 154377155 /nfs/dbraw/zinc/37/71/55/154377155.db2.gz IEKMUGMAGPJOOB-WMZOPIPTSA-N 2 2 347.503 3.377 10 0 EGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337486063 154377157 /nfs/dbraw/zinc/37/71/57/154377157.db2.gz IEKMUGMAGPJOOB-WMZOPIPTSA-N 2 2 347.503 3.377 10 0 EGAELP CCCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000345402085 156089563 /nfs/dbraw/zinc/08/95/63/156089563.db2.gz MKHMYFSXIFKCEZ-UHFFFAOYSA-N 2 2 335.536 3.023 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2nnc4ccccn42)C3)cc1 ZINC000249058410 163053251 /nfs/dbraw/zinc/05/32/51/163053251.db2.gz ZIHRSFOFIOGXPU-LDLYASANSA-N 2 2 347.466 3.015 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2nnc4ccccn42)C3)cc1 ZINC000249058410 163053253 /nfs/dbraw/zinc/05/32/53/163053253.db2.gz ZIHRSFOFIOGXPU-LDLYASANSA-N 2 2 347.466 3.015 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892192 163088231 /nfs/dbraw/zinc/08/82/31/163088231.db2.gz JJVNDKDOHXUBHP-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000336892192 163088229 /nfs/dbraw/zinc/08/82/29/163088229.db2.gz JJVNDKDOHXUBHP-AAEUAGOBSA-N 2 2 327.266 3.203 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@H]1C ZINC000354355868 166008459 /nfs/dbraw/zinc/00/84/59/166008459.db2.gz XUGGYYWFLYDYKL-WBVHZDCISA-N 2 2 325.460 3.156 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@H]1C ZINC000354355868 166008460 /nfs/dbraw/zinc/00/84/60/166008460.db2.gz XUGGYYWFLYDYKL-WBVHZDCISA-N 2 2 325.460 3.156 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794432 164036181 /nfs/dbraw/zinc/03/61/81/164036181.db2.gz LLOHAYQEYGMBDK-BBRMVZONSA-N 2 2 338.879 3.273 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794432 164036183 /nfs/dbraw/zinc/03/61/83/164036183.db2.gz LLOHAYQEYGMBDK-BBRMVZONSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794432 164036185 /nfs/dbraw/zinc/03/61/85/164036185.db2.gz LLOHAYQEYGMBDK-BBRMVZONSA-N 2 2 338.879 3.273 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)[C@@H](C)C1 ZINC000343794432 164036187 /nfs/dbraw/zinc/03/61/87/164036187.db2.gz LLOHAYQEYGMBDK-BBRMVZONSA-N 2 2 338.879 3.273 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884923 164058223 /nfs/dbraw/zinc/05/82/23/164058223.db2.gz AAAURPCEOUKIFA-OXQOHEQNSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884923 164058225 /nfs/dbraw/zinc/05/82/25/164058225.db2.gz AAAURPCEOUKIFA-OXQOHEQNSA-N 2 2 334.467 3.124 10 0 EGAELP CCCn1cc(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000344410454 164171770 /nfs/dbraw/zinc/17/17/70/164171770.db2.gz PHSRIPUCWLESMX-UHFFFAOYSA-N 2 2 348.535 3.196 10 0 EGAELP CCOC(=O)c1c[nH+]ccc1N1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000359577383 167198573 /nfs/dbraw/zinc/19/85/73/167198573.db2.gz FDFMVTBRJVTPIP-UHFFFAOYSA-N 2 2 325.412 3.346 10 0 EGAELP Fc1ccc([C@H](NC2CC([NH+]3CCCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000366436959 168120915 /nfs/dbraw/zinc/12/09/15/168120915.db2.gz WJUUTNUETVXDNY-ABHNRTSZSA-N 2 2 328.435 3.245 10 0 EGAELP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367230012 168196334 /nfs/dbraw/zinc/19/63/34/168196334.db2.gz HJFIBJHKNNRNNY-QGZVFWFLSA-N 2 2 346.519 3.095 10 0 EGAELP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367230012 168196335 /nfs/dbraw/zinc/19/63/35/168196335.db2.gz HJFIBJHKNNRNNY-QGZVFWFLSA-N 2 2 346.519 3.095 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000122885807 222177538 /nfs/dbraw/zinc/17/75/38/222177538.db2.gz CVGRCCDTJYDFAG-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000122885807 222177541 /nfs/dbraw/zinc/17/75/41/222177541.db2.gz CVGRCCDTJYDFAG-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192265 222232402 /nfs/dbraw/zinc/23/24/02/222232402.db2.gz XTBXXSNAICDPPG-SXLOBPIMSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192265 222232404 /nfs/dbraw/zinc/23/24/04/222232404.db2.gz XTBXXSNAICDPPG-SXLOBPIMSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192265 222232407 /nfs/dbraw/zinc/23/24/07/222232407.db2.gz XTBXXSNAICDPPG-SXLOBPIMSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123192265 222232409 /nfs/dbraw/zinc/23/24/09/222232409.db2.gz XTBXXSNAICDPPG-SXLOBPIMSA-N 2 2 345.531 3.305 10 0 EGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000171647627 227195248 /nfs/dbraw/zinc/19/52/48/227195248.db2.gz YPXCOVRDEXJJST-AWEZNQCLSA-N 2 2 344.846 3.108 10 0 EGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000171647627 227195252 /nfs/dbraw/zinc/19/52/52/227195252.db2.gz YPXCOVRDEXJJST-AWEZNQCLSA-N 2 2 344.846 3.108 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@H]4CCCC[C@@H]4C3)c2cc1C ZINC000177580452 265264805 /nfs/dbraw/zinc/26/48/05/265264805.db2.gz SVKUJOLGQCXOMI-KZNAEPCWSA-N 2 2 327.472 3.136 10 0 EGAELP Fc1ccccc1-n1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000275439187 267360840 /nfs/dbraw/zinc/36/08/40/267360840.db2.gz GSMYKDFFXZBXDJ-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)[nH+]c1 ZINC000343453900 275067557 /nfs/dbraw/zinc/06/75/57/275067557.db2.gz TZBOAKMWYDTSJC-ZHALLVOQSA-N 2 2 329.488 3.235 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000289414382 276335435 /nfs/dbraw/zinc/33/54/35/276335435.db2.gz PVRZRZOYLFRJTJ-UXHICEINSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000289414382 276335436 /nfs/dbraw/zinc/33/54/36/276335436.db2.gz PVRZRZOYLFRJTJ-UXHICEINSA-N 2 2 326.488 3.397 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289467428 276343765 /nfs/dbraw/zinc/34/37/65/276343765.db2.gz YSSSDFJRCQZHEB-SHCNBLLESA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289467428 276343768 /nfs/dbraw/zinc/34/37/68/276343768.db2.gz YSSSDFJRCQZHEB-SHCNBLLESA-N 2 2 349.469 3.080 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1ccccc1 ZINC000290205486 276463542 /nfs/dbraw/zinc/46/35/42/276463542.db2.gz GZLCKWZSLLIXEQ-CZUORRHYSA-N 2 2 330.394 3.115 10 0 EGAELP CN1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377666246 277138418 /nfs/dbraw/zinc/13/84/18/277138418.db2.gz BHQDWNHZODFYTD-IAGOWNOFSA-N 2 2 336.842 3.101 10 0 EGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1nc2ccccc2n1C ZINC000180010482 278359299 /nfs/dbraw/zinc/35/92/99/278359299.db2.gz MXSPYBQGFVYZCH-CQSZACIVSA-N 2 2 332.411 3.005 10 0 EGAELP COc1cccc([C@H]2[C@@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000338634756 295330092 /nfs/dbraw/zinc/33/00/92/295330092.db2.gz ZPJURDOILAMSQQ-SFTDATJTSA-N 2 2 343.515 3.049 10 0 EGAELP COc1cccc([C@H]2[C@@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000338634756 295330094 /nfs/dbraw/zinc/33/00/94/295330094.db2.gz ZPJURDOILAMSQQ-SFTDATJTSA-N 2 2 343.515 3.049 10 0 EGAELP CCc1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414362446 309075266 /nfs/dbraw/zinc/07/52/66/309075266.db2.gz SRJAGRYQADQLJT-IBGZPJMESA-N 2 2 335.455 3.383 10 0 EGAELP Brc1ccc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000302777722 308744996 /nfs/dbraw/zinc/74/49/96/308744996.db2.gz PMVVPPPQAWTFNB-UHFFFAOYSA-N 2 2 332.245 3.282 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000414921231 309109512 /nfs/dbraw/zinc/10/95/12/309109512.db2.gz DHKSEUNDYOIMKN-JSGCOSHPSA-N 2 2 346.393 3.114 10 0 EGAELP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000415075317 309118439 /nfs/dbraw/zinc/11/84/39/309118439.db2.gz BIHMTMHOUUYFSS-FXAWDEMLSA-N 3 2 326.488 3.332 10 0 EGAELP COc1cccc(Oc2ncccc2C[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000415091455 309119700 /nfs/dbraw/zinc/11/97/00/309119700.db2.gz ZGSOIRIGMBCECG-MRXNPFEDSA-N 2 2 329.444 3.346 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415111586 309120996 /nfs/dbraw/zinc/12/09/96/309120996.db2.gz RGHBYRORLXEUFG-FPOVZHCZSA-N 3 2 341.474 3.470 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285121 309262931 /nfs/dbraw/zinc/26/29/31/309262931.db2.gz DDZJKEYEXVQWMM-HNNXBMFYSA-N 2 2 345.487 3.019 10 0 EGAELP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccccc1Cl ZINC000419285251 309263039 /nfs/dbraw/zinc/26/30/39/309263039.db2.gz DKKXMAJWCFZHQY-KRWDZBQOSA-N 2 2 347.890 3.052 10 0 EGAELP Cc1c(Cl)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nn1C ZINC000421393841 309322392 /nfs/dbraw/zinc/32/23/92/309322392.db2.gz PEVKKWJZGPLFIF-UHFFFAOYSA-N 2 2 334.851 3.129 10 0 EGAELP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422863151 309372603 /nfs/dbraw/zinc/37/26/03/309372603.db2.gz LFQHMPKPYAFUKI-OAHLLOKOSA-N 2 2 329.444 3.069 10 0 EGAELP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422999640 309380146 /nfs/dbraw/zinc/38/01/46/309380146.db2.gz FOAQSCBCTNUHAI-OALUTQOASA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CCSCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423016392 309381139 /nfs/dbraw/zinc/38/11/39/309381139.db2.gz MOQGBLNIJCXBNJ-CABCVRRESA-N 2 2 348.434 3.373 10 0 EGAELP COc1ccc([C@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423016393 309381199 /nfs/dbraw/zinc/38/11/99/309381199.db2.gz MOQGBLNIJCXBNJ-GJZGRUSLSA-N 2 2 348.434 3.373 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423045226 309382876 /nfs/dbraw/zinc/38/28/76/309382876.db2.gz CPILCEMDVJTKDB-LDBYXDLTSA-N 3 2 338.499 3.020 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423045226 309382877 /nfs/dbraw/zinc/38/28/77/309382877.db2.gz CPILCEMDVJTKDB-LDBYXDLTSA-N 3 2 338.499 3.020 10 0 EGAELP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423121700 309386948 /nfs/dbraw/zinc/38/69/48/309386948.db2.gz BCOARGCSINGVMV-NHCUHLMSSA-N 2 2 340.442 3.349 10 0 EGAELP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000423160443 309388822 /nfs/dbraw/zinc/38/88/22/309388822.db2.gz HGWMMBXLTNJMLS-LULLPPNCSA-N 2 2 334.891 3.333 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423230654 309391391 /nfs/dbraw/zinc/39/13/91/309391391.db2.gz DYRFMCANKPCYRW-OCCSQVGLSA-N 2 2 325.250 3.004 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423233006 309391528 /nfs/dbraw/zinc/39/15/28/309391528.db2.gz DBRYLUWZLYKXLQ-MAUKXSAKSA-N 2 2 344.455 3.071 10 0 EGAELP COc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C(C)C)cc1 ZINC000423233015 309391556 /nfs/dbraw/zinc/39/15/56/309391556.db2.gz NPQUSFATFVFGMN-FQEVSTJZSA-N 2 2 340.471 3.309 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000449293845 310050884 /nfs/dbraw/zinc/05/08/84/310050884.db2.gz JFMXDWGHVIIQKE-FHERZECASA-N 2 2 346.437 3.483 10 0 EGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397287 310058549 /nfs/dbraw/zinc/05/85/49/310058549.db2.gz ORRPQVCMHFDULP-PMPSAXMXSA-N 2 2 347.528 3.225 10 0 EGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397287 310058550 /nfs/dbraw/zinc/05/85/50/310058550.db2.gz ORRPQVCMHFDULP-PMPSAXMXSA-N 2 2 347.528 3.225 10 0 EGAELP Fc1ccc(-c2cn3c([nH+]2)CC[C@H]([NH2+]Cc2cncs2)C3)c(F)c1 ZINC000449549441 310070668 /nfs/dbraw/zinc/07/06/68/310070668.db2.gz XYQAXMSRGNYQDG-LBPRGKRZSA-N 2 2 346.406 3.389 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450111338 310104032 /nfs/dbraw/zinc/10/40/32/310104032.db2.gz HGGQMTQEOLYHKT-BHIYHBOVSA-N 2 2 344.503 3.090 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450111338 310104033 /nfs/dbraw/zinc/10/40/33/310104033.db2.gz HGGQMTQEOLYHKT-BHIYHBOVSA-N 2 2 344.503 3.090 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561315 310130223 /nfs/dbraw/zinc/13/02/23/310130223.db2.gz HCICJNDNRWZBEG-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561315 310130224 /nfs/dbraw/zinc/13/02/24/310130224.db2.gz HCICJNDNRWZBEG-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561315 310130225 /nfs/dbraw/zinc/13/02/25/310130225.db2.gz HCICJNDNRWZBEG-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561315 310130226 /nfs/dbraw/zinc/13/02/26/310130226.db2.gz HCICJNDNRWZBEG-NQIIRXRSSA-N 2 2 340.515 3.288 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450697181 310137931 /nfs/dbraw/zinc/13/79/31/310137931.db2.gz MOFAYTHPMXBBAN-RHSMWYFYSA-N 2 2 342.512 3.416 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450697181 310137932 /nfs/dbraw/zinc/13/79/32/310137932.db2.gz MOFAYTHPMXBBAN-RHSMWYFYSA-N 2 2 342.512 3.416 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCS2 ZINC000453260960 310267707 /nfs/dbraw/zinc/26/77/07/310267707.db2.gz JPLMXIGGCDSHLH-FUHWJXTLSA-N 2 2 334.529 3.277 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCS2 ZINC000453260960 310267708 /nfs/dbraw/zinc/26/77/08/310267708.db2.gz JPLMXIGGCDSHLH-FUHWJXTLSA-N 2 2 334.529 3.277 10 0 EGAELP CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000453624246 310285249 /nfs/dbraw/zinc/28/52/49/310285249.db2.gz PWANUPVBZAJGFO-GOSISDBHSA-N 2 2 347.484 3.488 10 0 EGAELP CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000453624246 310285250 /nfs/dbraw/zinc/28/52/50/310285250.db2.gz PWANUPVBZAJGFO-GOSISDBHSA-N 2 2 347.484 3.488 10 0 EGAELP C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000516419107 312323551 /nfs/dbraw/zinc/32/35/51/312323551.db2.gz PTUOWVQKHBJWMX-LBPRGKRZSA-N 2 2 334.261 3.173 10 0 EGAELP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000516419107 312323552 /nfs/dbraw/zinc/32/35/52/312323552.db2.gz PTUOWVQKHBJWMX-LBPRGKRZSA-N 2 2 334.261 3.173 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536420 313348095 /nfs/dbraw/zinc/34/80/95/313348095.db2.gz KOVKKKBUTQFXEY-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536420 313348098 /nfs/dbraw/zinc/34/80/98/313348098.db2.gz KOVKKKBUTQFXEY-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1OC ZINC000529536420 313348099 /nfs/dbraw/zinc/34/80/99/313348099.db2.gz KOVKKKBUTQFXEY-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1OC ZINC000529536420 313348102 /nfs/dbraw/zinc/34/81/02/313348102.db2.gz KOVKKKBUTQFXEY-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC(F)(F)C1 ZINC000529542559 313350597 /nfs/dbraw/zinc/35/05/97/313350597.db2.gz KNACKOJOENUCSO-OAHLLOKOSA-N 2 2 330.463 3.293 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000529668269 313382460 /nfs/dbraw/zinc/38/24/60/313382460.db2.gz FRRITXOOTCVGAP-PXNSSMCTSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000529668269 313382463 /nfs/dbraw/zinc/38/24/63/313382463.db2.gz FRRITXOOTCVGAP-PXNSSMCTSA-N 2 2 343.515 3.018 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC000529671050 313383288 /nfs/dbraw/zinc/38/32/88/313383288.db2.gz XZDGVUAJVZOONR-SFHVURJKSA-N 2 2 330.472 3.438 10 0 EGAELP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC000529671050 313383292 /nfs/dbraw/zinc/38/32/92/313383292.db2.gz XZDGVUAJVZOONR-SFHVURJKSA-N 2 2 330.472 3.438 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824378 314147654 /nfs/dbraw/zinc/14/76/54/314147654.db2.gz BBXCXJFHHUOCPT-DBQGFPOUSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824378 314147657 /nfs/dbraw/zinc/14/76/57/314147657.db2.gz BBXCXJFHHUOCPT-DBQGFPOUSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824378 314147659 /nfs/dbraw/zinc/14/76/59/314147659.db2.gz BBXCXJFHHUOCPT-DBQGFPOUSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000536824378 314147662 /nfs/dbraw/zinc/14/76/62/314147662.db2.gz BBXCXJFHHUOCPT-DBQGFPOUSA-N 3 2 341.543 3.359 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000537456034 314182978 /nfs/dbraw/zinc/18/29/78/314182978.db2.gz GIEGAHACDWKDBU-PKOBYXMFSA-N 2 2 346.519 3.231 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000537456034 314182980 /nfs/dbraw/zinc/18/29/80/314182980.db2.gz GIEGAHACDWKDBU-PKOBYXMFSA-N 2 2 346.519 3.231 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140929 314364742 /nfs/dbraw/zinc/36/47/42/314364742.db2.gz BCMZMUSCSKHREF-FOIQADDNSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140929 314364744 /nfs/dbraw/zinc/36/47/44/314364744.db2.gz BCMZMUSCSKHREF-FOIQADDNSA-N 2 2 328.431 3.444 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(=O)[nH]n2)c(C)c1 ZINC000552063300 315194909 /nfs/dbraw/zinc/19/49/09/315194909.db2.gz VWQQJMJMOMCRLR-CRAIPNDOSA-N 2 2 337.427 3.088 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@@H]3c3ccccc3)c2cc1C ZINC000552836872 315234444 /nfs/dbraw/zinc/23/44/44/315234444.db2.gz YSIJELGVODLDEG-GUDVDZBRSA-N 2 2 335.451 3.160 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000565468215 316328025 /nfs/dbraw/zinc/32/80/25/316328025.db2.gz FWARIBOZNPKCQL-BRWVUGGUSA-N 2 2 327.476 3.229 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CCC4(CC4)CC3)c2cc1C ZINC000570569575 317074805 /nfs/dbraw/zinc/07/48/05/317074805.db2.gz NQFKCAFWMDBXKK-QGZVFWFLSA-N 2 2 327.472 3.326 10 0 EGAELP Oc1ccc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271179416 456157201 /nfs/dbraw/zinc/15/72/01/456157201.db2.gz HAXRSHDCAIIMHG-UHFFFAOYSA-N 2 2 336.233 3.257 10 0 EGAELP COc1cccc(Cn2c3ccccc3[nH+]c2NCc2c[nH+]cn2C)c1 ZINC000097378042 323215484 /nfs/dbraw/zinc/21/54/84/323215484.db2.gz SKXVMETXEKJZEG-UHFFFAOYSA-N 2 2 347.422 3.439 10 0 EGAELP Clc1cc(Br)ccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353217106 456567629 /nfs/dbraw/zinc/56/76/29/456567629.db2.gz HLLYEYQPHIONEP-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP Clc1cc(Br)ccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353217106 456567637 /nfs/dbraw/zinc/56/76/37/456567637.db2.gz HLLYEYQPHIONEP-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000576221433 324570657 /nfs/dbraw/zinc/57/06/57/324570657.db2.gz JDCWLDHNHBBWGP-DSKINZAPSA-N 2 2 342.483 3.016 10 0 EGAELP Cc1nnsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580430686 325249401 /nfs/dbraw/zinc/24/94/01/325249401.db2.gz QLDVRNFABNZAAL-INIZCTEOSA-N 2 2 328.485 3.133 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCOc2ccc(C(C)C)c(C)c2)CC1 ZINC000583148174 325499124 /nfs/dbraw/zinc/49/91/24/325499124.db2.gz XHTBKCHPHBIGQX-UHFFFAOYSA-N 2 2 334.504 3.198 10 0 EGAELP C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656342 455219259 /nfs/dbraw/zinc/21/92/59/455219259.db2.gz JEGOSSNBKXGUQA-OXJNMPFZSA-N 2 2 348.450 3.352 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C)CC1 ZINC000180655848 455219566 /nfs/dbraw/zinc/21/95/66/455219566.db2.gz UCIJCGCHSTVJFF-IAGOWNOFSA-N 2 2 340.471 3.170 10 0 EGAELP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672096 455223436 /nfs/dbraw/zinc/22/34/36/455223436.db2.gz LHQUGPLZWXTKHF-AWEZNQCLSA-N 2 2 338.386 3.301 10 0 EGAELP Cn1cc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495725 460580844 /nfs/dbraw/zinc/58/08/44/460580844.db2.gz PQABDMRVXMNHSO-ROUUACIJSA-N 2 2 330.451 3.111 10 0 EGAELP Cn1cc([C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495725 460580851 /nfs/dbraw/zinc/58/08/51/460580851.db2.gz PQABDMRVXMNHSO-ROUUACIJSA-N 2 2 330.451 3.111 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000631890941 460590540 /nfs/dbraw/zinc/59/05/40/460590540.db2.gz WNSPPZYPOKDANR-YJBOKZPZSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000631890941 460590547 /nfs/dbraw/zinc/59/05/47/460590547.db2.gz WNSPPZYPOKDANR-YJBOKZPZSA-N 2 2 343.496 3.393 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084014050 453965288 /nfs/dbraw/zinc/96/52/88/453965288.db2.gz HHZHNMIEPOIWIK-IBGZPJMESA-N 2 2 349.482 3.412 10 0 EGAELP CC(C)c1ncc2c(n1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000078788179 454317854 /nfs/dbraw/zinc/31/78/54/454317854.db2.gz MGHTTWMFBIBGGH-UHFFFAOYSA-N 2 2 333.439 3.344 10 0 EGAELP CC(C)c1ncc2c(n1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000078788179 454317856 /nfs/dbraw/zinc/31/78/56/454317856.db2.gz MGHTTWMFBIBGGH-UHFFFAOYSA-N 2 2 333.439 3.344 10 0 EGAELP Clc1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000072978907 454375419 /nfs/dbraw/zinc/37/54/19/454375419.db2.gz KNEIVKCTGKBTSQ-UHFFFAOYSA-N 2 2 327.925 3.005 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000091671230 454455245 /nfs/dbraw/zinc/45/52/45/454455245.db2.gz VYMYUJYADJVLHN-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092510300 454577438 /nfs/dbraw/zinc/57/74/38/454577438.db2.gz KNJAKRFBJAHFKY-LJQANCHMSA-N 2 2 340.471 3.014 10 0 EGAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092510300 454577441 /nfs/dbraw/zinc/57/74/41/454577441.db2.gz KNJAKRFBJAHFKY-LJQANCHMSA-N 2 2 340.471 3.014 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000105922688 454668346 /nfs/dbraw/zinc/66/83/46/454668346.db2.gz MEYUIXNOJQPMSI-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000105922688 454668353 /nfs/dbraw/zinc/66/83/53/454668353.db2.gz MEYUIXNOJQPMSI-MRXNPFEDSA-N 2 2 337.427 3.333 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000124694649 454761475 /nfs/dbraw/zinc/76/14/75/454761475.db2.gz NEYNUZIKPMIRIG-UHFFFAOYSA-N 2 2 329.448 3.291 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153262804 454776012 /nfs/dbraw/zinc/77/60/12/454776012.db2.gz NWFLQCYRHJNZNL-KBPBESRZSA-N 2 2 330.394 3.324 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000163307244 454838403 /nfs/dbraw/zinc/83/84/03/454838403.db2.gz BTBDBLCCHLAHPC-VXGBXAGGSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000163307244 454838406 /nfs/dbraw/zinc/83/84/06/454838406.db2.gz BTBDBLCCHLAHPC-VXGBXAGGSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000163311414 454838804 /nfs/dbraw/zinc/83/88/04/454838804.db2.gz MDKPVDVTODARPE-HUUCEWRRSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000163311414 454838805 /nfs/dbraw/zinc/83/88/05/454838805.db2.gz MDKPVDVTODARPE-HUUCEWRRSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324450 454839232 /nfs/dbraw/zinc/83/92/32/454839232.db2.gz JZXWXYABTNMUPM-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324450 454839236 /nfs/dbraw/zinc/83/92/36/454839236.db2.gz JZXWXYABTNMUPM-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000163348802 454841068 /nfs/dbraw/zinc/84/10/68/454841068.db2.gz JYSRVPMJSKZSJA-KGLIPLIRSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000163348802 454841071 /nfs/dbraw/zinc/84/10/71/454841071.db2.gz JYSRVPMJSKZSJA-KGLIPLIRSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000163424874 454846149 /nfs/dbraw/zinc/84/61/49/454846149.db2.gz QMXPQPQMDDGDHJ-DZGCQCFKSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000163424874 454846152 /nfs/dbraw/zinc/84/61/52/454846152.db2.gz QMXPQPQMDDGDHJ-DZGCQCFKSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000163428132 454847795 /nfs/dbraw/zinc/84/77/95/454847795.db2.gz SZQUGHVFWUJJHD-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000163428132 454847799 /nfs/dbraw/zinc/84/77/99/454847799.db2.gz SZQUGHVFWUJJHD-DZGCQCFKSA-N 2 2 326.868 3.110 10 0 EGAELP CCCC[C@@H](CC)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154204839 454874065 /nfs/dbraw/zinc/87/40/65/454874065.db2.gz ZUZJOXKIRFPNAO-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCC[C@@H](CC)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154204839 454874067 /nfs/dbraw/zinc/87/40/67/454874067.db2.gz ZUZJOXKIRFPNAO-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000126399130 454890662 /nfs/dbraw/zinc/89/06/62/454890662.db2.gz ZOTHWTHDDCWDQX-QZTJIDSGSA-N 2 2 331.504 3.480 10 0 EGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000154932204 454944320 /nfs/dbraw/zinc/94/43/20/454944320.db2.gz KAHQDZZXWMRFRG-SJORKVTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000154932204 454944322 /nfs/dbraw/zinc/94/43/22/454944322.db2.gz KAHQDZZXWMRFRG-SJORKVTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000154932204 454944323 /nfs/dbraw/zinc/94/43/23/454944323.db2.gz KAHQDZZXWMRFRG-SJORKVTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000154932204 454944325 /nfs/dbraw/zinc/94/43/25/454944325.db2.gz KAHQDZZXWMRFRG-SJORKVTESA-N 2 2 343.519 3.166 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)[nH+]1 ZINC000114717282 454972395 /nfs/dbraw/zinc/97/23/95/454972395.db2.gz UCMLKVNPRDILDY-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)[nH+]1 ZINC000114717282 454972399 /nfs/dbraw/zinc/97/23/99/454972399.db2.gz UCMLKVNPRDILDY-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000180133209 455137688 /nfs/dbraw/zinc/13/76/88/455137688.db2.gz CGIWCNSEDDEDKD-IBGZPJMESA-N 2 2 339.418 3.181 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000180133209 455137690 /nfs/dbraw/zinc/13/76/90/455137690.db2.gz CGIWCNSEDDEDKD-IBGZPJMESA-N 2 2 339.418 3.181 10 0 EGAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)CC2 ZINC000626781082 460666049 /nfs/dbraw/zinc/66/60/49/460666049.db2.gz ZEBUFVXCYOGCNZ-CYBMUJFWSA-N 2 2 346.862 3.108 10 0 EGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCO2 ZINC000237534131 455192723 /nfs/dbraw/zinc/19/27/23/455192723.db2.gz PGCSSVJVRRZAFA-HNNXBMFYSA-N 2 2 339.439 3.172 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245443407 455302328 /nfs/dbraw/zinc/30/23/28/455302328.db2.gz XDNACWLREIIMCI-AEFFLSMTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245443407 455302329 /nfs/dbraw/zinc/30/23/29/455302329.db2.gz XDNACWLREIIMCI-AEFFLSMTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245443407 455302330 /nfs/dbraw/zinc/30/23/30/455302330.db2.gz XDNACWLREIIMCI-AEFFLSMTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245443407 455302331 /nfs/dbraw/zinc/30/23/31/455302331.db2.gz XDNACWLREIIMCI-AEFFLSMTSA-N 2 2 331.504 3.158 10 0 EGAELP Cc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C1CC1 ZINC000183674761 455319587 /nfs/dbraw/zinc/31/95/87/455319587.db2.gz OWDJDVGBFSQQFB-CYBMUJFWSA-N 2 2 336.443 3.266 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181453223 455337652 /nfs/dbraw/zinc/33/76/52/455337652.db2.gz FHKVLWVJVZBAJO-GOSISDBHSA-N 2 2 341.455 3.216 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181453223 455337658 /nfs/dbraw/zinc/33/76/58/455337658.db2.gz FHKVLWVJVZBAJO-GOSISDBHSA-N 2 2 341.455 3.216 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2F)nc[nH+]1 ZINC000174289442 455377084 /nfs/dbraw/zinc/37/70/84/455377084.db2.gz IJYUWWIMAHMIHU-TZMCWYRMSA-N 2 2 347.413 3.116 10 0 EGAELP C[C@H](c1c(F)cccc1F)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246257110 455458507 /nfs/dbraw/zinc/45/85/07/455458507.db2.gz KHVVFVITYPNVMF-HZPDHXFCSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1c(F)cccc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246257110 455458511 /nfs/dbraw/zinc/45/85/11/455458511.db2.gz KHVVFVITYPNVMF-HZPDHXFCSA-N 2 2 337.458 3.128 10 0 EGAELP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000246328775 455471957 /nfs/dbraw/zinc/47/19/57/455471957.db2.gz LACGCYKYHFKBRA-HKUYNNGSSA-N 2 2 349.482 3.300 10 0 EGAELP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000246328775 455471959 /nfs/dbraw/zinc/47/19/59/455471959.db2.gz LACGCYKYHFKBRA-HKUYNNGSSA-N 2 2 349.482 3.300 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578468 455509394 /nfs/dbraw/zinc/50/93/94/455509394.db2.gz FXORXGFLTOYEQH-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578468 455509400 /nfs/dbraw/zinc/50/94/00/455509400.db2.gz FXORXGFLTOYEQH-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578468 455509407 /nfs/dbraw/zinc/50/94/07/455509407.db2.gz FXORXGFLTOYEQH-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578468 455509412 /nfs/dbraw/zinc/50/94/12/455509412.db2.gz FXORXGFLTOYEQH-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246770257 455523642 /nfs/dbraw/zinc/52/36/42/455523642.db2.gz OEDCRYNDMXOVSZ-BPAFIMBUSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246770257 455523643 /nfs/dbraw/zinc/52/36/43/455523643.db2.gz OEDCRYNDMXOVSZ-BPAFIMBUSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246770257 455523646 /nfs/dbraw/zinc/52/36/46/455523646.db2.gz OEDCRYNDMXOVSZ-BPAFIMBUSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246770257 455523648 /nfs/dbraw/zinc/52/36/48/455523648.db2.gz OEDCRYNDMXOVSZ-BPAFIMBUSA-N 2 2 349.494 3.054 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589740 455548803 /nfs/dbraw/zinc/54/88/03/455548803.db2.gz STRLIGXVHOGXAD-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589740 455548810 /nfs/dbraw/zinc/54/88/10/455548810.db2.gz STRLIGXVHOGXAD-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589740 455548813 /nfs/dbraw/zinc/54/88/13/455548813.db2.gz STRLIGXVHOGXAD-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589740 455548816 /nfs/dbraw/zinc/54/88/16/455548816.db2.gz STRLIGXVHOGXAD-NAZJXLNTSA-N 2 2 349.469 3.269 10 0 EGAELP Cc1noc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)n1 ZINC000185645584 455588589 /nfs/dbraw/zinc/58/85/89/455588589.db2.gz KDDBGBMTFGNCFC-AWEZNQCLSA-N 2 2 337.427 3.118 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247440126 455601189 /nfs/dbraw/zinc/60/11/89/455601189.db2.gz ITCMSUIJOHNJMV-QFBILLFUSA-N 2 2 329.444 3.244 10 0 EGAELP COc1ccc(OCCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247440126 455601195 /nfs/dbraw/zinc/60/11/95/455601195.db2.gz ITCMSUIJOHNJMV-QFBILLFUSA-N 2 2 329.444 3.244 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247648272 455633194 /nfs/dbraw/zinc/63/31/94/455633194.db2.gz PAUUIIMZXSILJT-AEFFLSMTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247648272 455633198 /nfs/dbraw/zinc/63/31/98/455633198.db2.gz PAUUIIMZXSILJT-AEFFLSMTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000253370908 455836136 /nfs/dbraw/zinc/83/61/36/455836136.db2.gz XUQQMILYKITQNI-OXQOHEQNSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000253370908 455836141 /nfs/dbraw/zinc/83/61/41/455836141.db2.gz XUQQMILYKITQNI-OXQOHEQNSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000253370908 455836145 /nfs/dbraw/zinc/83/61/45/455836145.db2.gz XUQQMILYKITQNI-OXQOHEQNSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000253370908 455836150 /nfs/dbraw/zinc/83/61/50/455836150.db2.gz XUQQMILYKITQNI-OXQOHEQNSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)ccc2[nH+]1 ZINC000606569998 460698384 /nfs/dbraw/zinc/69/83/84/460698384.db2.gz LYJIPEDBYUSOML-GJZGRUSLSA-N 2 2 329.448 3.027 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261561602 455908780 /nfs/dbraw/zinc/90/87/80/455908780.db2.gz FZTNYRNJAQEFJK-YLJYHZDGSA-N 2 2 340.467 3.122 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296349939 455915574 /nfs/dbraw/zinc/91/55/74/455915574.db2.gz IYBBMFZURXTRGI-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296349939 455915579 /nfs/dbraw/zinc/91/55/79/455915579.db2.gz IYBBMFZURXTRGI-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702147 455940468 /nfs/dbraw/zinc/94/04/68/455940468.db2.gz TXPUBCWFXMVTTH-OXQOHEQNSA-N 2 2 326.488 3.434 10 0 EGAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702147 455940489 /nfs/dbraw/zinc/94/04/89/455940489.db2.gz TXPUBCWFXMVTTH-OXQOHEQNSA-N 2 2 326.488 3.434 10 0 EGAELP Cc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195286528 455941311 /nfs/dbraw/zinc/94/13/11/455941311.db2.gz MNQKZPNISOXSRA-HXUWFJFHSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195286528 455941317 /nfs/dbraw/zinc/94/13/17/455941317.db2.gz MNQKZPNISOXSRA-HXUWFJFHSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286528 455941323 /nfs/dbraw/zinc/94/13/23/455941323.db2.gz MNQKZPNISOXSRA-HXUWFJFHSA-N 2 2 339.483 3.223 10 0 EGAELP Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286528 455941329 /nfs/dbraw/zinc/94/13/29/455941329.db2.gz MNQKZPNISOXSRA-HXUWFJFHSA-N 2 2 339.483 3.223 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000296526842 455962958 /nfs/dbraw/zinc/96/29/58/455962958.db2.gz SJSXRIRDLCLQNI-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000296526842 455962962 /nfs/dbraw/zinc/96/29/62/455962962.db2.gz SJSXRIRDLCLQNI-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP CC[N@H+](Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261893654 455966557 /nfs/dbraw/zinc/96/65/57/455966557.db2.gz UNUGBWYOFBQYOF-OAHLLOKOSA-N 2 2 329.257 3.410 10 0 EGAELP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261893654 455966562 /nfs/dbraw/zinc/96/65/62/455966562.db2.gz UNUGBWYOFBQYOF-OAHLLOKOSA-N 2 2 329.257 3.410 10 0 EGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515754 455974893 /nfs/dbraw/zinc/97/48/93/455974893.db2.gz ATWCCCOTMPBOON-INIZCTEOSA-N 2 2 338.455 3.017 10 0 EGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515754 455974897 /nfs/dbraw/zinc/97/48/97/455974897.db2.gz ATWCCCOTMPBOON-INIZCTEOSA-N 2 2 338.455 3.017 10 0 EGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000188411153 456058315 /nfs/dbraw/zinc/05/83/15/456058315.db2.gz BYPIGFHQYXNOSO-QGZVFWFLSA-N 2 2 335.411 3.130 10 0 EGAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000188411153 456058317 /nfs/dbraw/zinc/05/83/17/456058317.db2.gz BYPIGFHQYXNOSO-QGZVFWFLSA-N 2 2 335.411 3.130 10 0 EGAELP c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236698347 456171774 /nfs/dbraw/zinc/17/17/74/456171774.db2.gz FSXSNHXSDIHLKG-UHFFFAOYSA-N 2 2 337.511 3.374 10 0 EGAELP C[NH+]1CCC([N@H+](Cc2cnn3ccccc23)Cc2ccccc2)CC1 ZINC000290337079 456296685 /nfs/dbraw/zinc/29/66/85/456296685.db2.gz FEKPPBLRYTXQSM-UHFFFAOYSA-N 2 2 334.467 3.431 10 0 EGAELP C[NH+]1CCC([N@@H+](Cc2cnn3ccccc23)Cc2ccccc2)CC1 ZINC000290337079 456296692 /nfs/dbraw/zinc/29/66/92/456296692.db2.gz FEKPPBLRYTXQSM-UHFFFAOYSA-N 2 2 334.467 3.431 10 0 EGAELP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352853339 456365010 /nfs/dbraw/zinc/36/50/10/456365010.db2.gz LPXFXHPPIZCGDP-UHFFFAOYSA-N 2 2 325.391 3.319 10 0 EGAELP c1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)oc1C1CC1 ZINC000282201395 456441014 /nfs/dbraw/zinc/44/10/14/456441014.db2.gz XFKPJDHJGBCLCM-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP c1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)oc1C1CC1 ZINC000282201395 456441018 /nfs/dbraw/zinc/44/10/18/456441018.db2.gz XFKPJDHJGBCLCM-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H]1C ZINC000353087410 456481583 /nfs/dbraw/zinc/48/15/83/456481583.db2.gz KRBDPNNVGGHWPA-HQRNTDQLSA-N 2 2 349.563 3.120 10 0 EGAELP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H]1C ZINC000353087410 456481590 /nfs/dbraw/zinc/48/15/90/456481590.db2.gz KRBDPNNVGGHWPA-HQRNTDQLSA-N 2 2 349.563 3.120 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777468 462263113 /nfs/dbraw/zinc/26/31/13/462263113.db2.gz QVEIBWLUZJFRLM-RDJZCZTQSA-N 2 2 338.442 3.352 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777468 462263117 /nfs/dbraw/zinc/26/31/17/462263117.db2.gz QVEIBWLUZJFRLM-RDJZCZTQSA-N 2 2 338.442 3.352 10 0 EGAELP Clc1ccc2[nH+]cc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)n2c1 ZINC000353139677 456515790 /nfs/dbraw/zinc/51/57/90/456515790.db2.gz NXMHAXANRQMWLJ-MRXNPFEDSA-N 2 2 332.879 3.438 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)s1 ZINC000353213335 456564635 /nfs/dbraw/zinc/56/46/35/456564635.db2.gz AHAFQQJQJKVLMX-IUCAKERBSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)s1 ZINC000353213335 456564645 /nfs/dbraw/zinc/56/46/45/456564645.db2.gz AHAFQQJQJKVLMX-IUCAKERBSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320174 462476292 /nfs/dbraw/zinc/47/62/92/462476292.db2.gz PJJCUMRKKJKAFI-HKUYNNGSSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320174 462476295 /nfs/dbraw/zinc/47/62/95/462476295.db2.gz PJJCUMRKKJKAFI-HKUYNNGSSA-N 2 2 338.499 3.373 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3sc(Br)cc32)c1 ZINC000313308716 456597608 /nfs/dbraw/zinc/59/76/08/456597608.db2.gz UQORARUBILRQNP-LLVKDONJSA-N 2 2 326.263 3.064 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704388 456598621 /nfs/dbraw/zinc/59/86/21/456598621.db2.gz AJTPZHAMBIFRTE-BEFAXECRSA-N 2 2 341.503 3.046 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704388 456598624 /nfs/dbraw/zinc/59/86/24/456598624.db2.gz AJTPZHAMBIFRTE-BEFAXECRSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704388 456598628 /nfs/dbraw/zinc/59/86/28/456598628.db2.gz AJTPZHAMBIFRTE-BEFAXECRSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@H](C)C1 ZINC000282704388 456598631 /nfs/dbraw/zinc/59/86/31/456598631.db2.gz AJTPZHAMBIFRTE-BEFAXECRSA-N 2 2 341.503 3.046 10 0 EGAELP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc12 ZINC000282770033 456621101 /nfs/dbraw/zinc/62/11/01/456621101.db2.gz POLFNCDGIHMSGC-QGZVFWFLSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH]nc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc12 ZINC000282770033 456621103 /nfs/dbraw/zinc/62/11/03/456621103.db2.gz POLFNCDGIHMSGC-QGZVFWFLSA-N 2 2 335.455 3.475 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112979 456644243 /nfs/dbraw/zinc/64/42/43/456644243.db2.gz PFVSOFPEFMCRIJ-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112979 456644252 /nfs/dbraw/zinc/64/42/52/456644252.db2.gz PFVSOFPEFMCRIJ-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000348813264 456867674 /nfs/dbraw/zinc/86/76/74/456867674.db2.gz GDPSLKHDJWLXKZ-UHFFFAOYSA-N 2 2 328.416 3.217 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)Cc1ccco1 ZINC000348813264 456867680 /nfs/dbraw/zinc/86/76/80/456867680.db2.gz GDPSLKHDJWLXKZ-UHFFFAOYSA-N 2 2 328.416 3.217 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1)Cc1ccco1 ZINC000348813264 456867686 /nfs/dbraw/zinc/86/76/86/456867686.db2.gz GDPSLKHDJWLXKZ-UHFFFAOYSA-N 2 2 328.416 3.217 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866371 456868145 /nfs/dbraw/zinc/86/81/45/456868145.db2.gz OFSSDRXVPYRRHJ-VNQPRFMTSA-N 2 2 330.394 3.379 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866371 456868147 /nfs/dbraw/zinc/86/81/47/456868147.db2.gz OFSSDRXVPYRRHJ-VNQPRFMTSA-N 2 2 330.394 3.379 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000344960829 456878705 /nfs/dbraw/zinc/87/87/05/456878705.db2.gz FIPGIOVVRYYIMD-VQIMIIECSA-N 2 2 325.456 3.058 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000344960829 456878710 /nfs/dbraw/zinc/87/87/10/456878710.db2.gz FIPGIOVVRYYIMD-VQIMIIECSA-N 2 2 325.456 3.058 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746308 456885022 /nfs/dbraw/zinc/88/50/22/456885022.db2.gz JWVMMAMBNFRWJO-WMLDXEAASA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746308 456885025 /nfs/dbraw/zinc/88/50/25/456885025.db2.gz JWVMMAMBNFRWJO-WMLDXEAASA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746308 456885031 /nfs/dbraw/zinc/88/50/31/456885031.db2.gz JWVMMAMBNFRWJO-WMLDXEAASA-N 2 2 330.501 3.367 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccn3)s2)[C@@H](C)C1 ZINC000353746308 456885035 /nfs/dbraw/zinc/88/50/35/456885035.db2.gz JWVMMAMBNFRWJO-WMLDXEAASA-N 2 2 330.501 3.367 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000345165077 456949948 /nfs/dbraw/zinc/94/99/48/456949948.db2.gz PLKHXQCTBJMNEF-SUNKGSAMSA-N 2 2 327.266 3.058 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000345165077 456949951 /nfs/dbraw/zinc/94/99/51/456949951.db2.gz PLKHXQCTBJMNEF-SUNKGSAMSA-N 2 2 327.266 3.058 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339137268 456957983 /nfs/dbraw/zinc/95/79/83/456957983.db2.gz PVSSISSJLDQFKW-CYBMUJFWSA-N 2 2 341.846 3.495 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H](C)c2ncc(Br)cn2)c[nH+]1 ZINC000353902536 456958287 /nfs/dbraw/zinc/95/82/87/456958287.db2.gz TZXDAUNANFCCLI-GFCCVEGCSA-N 2 2 335.249 3.226 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349601170 456994235 /nfs/dbraw/zinc/99/42/35/456994235.db2.gz RQPMAWCZUXDQFI-UTKZUKDTSA-N 2 2 349.482 3.357 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000339261773 457026555 /nfs/dbraw/zinc/02/65/55/457026555.db2.gz MGDGIFKBUSJXAR-SFHVURJKSA-N 2 2 348.450 3.493 10 0 EGAELP Cc1cn2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000339261773 457026558 /nfs/dbraw/zinc/02/65/58/457026558.db2.gz MGDGIFKBUSJXAR-SFHVURJKSA-N 2 2 348.450 3.493 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000341983021 457041376 /nfs/dbraw/zinc/04/13/76/457041376.db2.gz SVVSQFJFOPXCNK-UHFFFAOYSA-N 2 2 325.456 3.324 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCCO2 ZINC000359520581 457090935 /nfs/dbraw/zinc/09/09/35/457090935.db2.gz YKMJKCZGVKXUBA-MJGOQNOKSA-N 2 2 332.488 3.155 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)CCCO2 ZINC000359520581 457090942 /nfs/dbraw/zinc/09/09/42/457090942.db2.gz YKMJKCZGVKXUBA-MJGOQNOKSA-N 2 2 332.488 3.155 10 0 EGAELP CN(C)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000342190007 457159311 /nfs/dbraw/zinc/15/93/11/457159311.db2.gz JBAHCKRIAMMQCQ-SFHVURJKSA-N 2 2 344.459 3.465 10 0 EGAELP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000356877198 457193564 /nfs/dbraw/zinc/19/35/64/457193564.db2.gz SDJIRFSGLATWDF-KRWDZBQOSA-N 2 2 339.483 3.327 10 0 EGAELP Cc1ccc(CCC[NH2+][C@@H](CO)c2cccc(Br)c2)c[nH+]1 ZINC000354466033 457240855 /nfs/dbraw/zinc/24/08/55/457240855.db2.gz QHDGMGCYDWFVIH-KRWDZBQOSA-N 2 2 349.272 3.408 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000347279601 457327445 /nfs/dbraw/zinc/32/74/45/457327445.db2.gz FTDILOVBOZFLNM-QGZVFWFLSA-N 2 2 347.466 3.201 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000347279601 457327453 /nfs/dbraw/zinc/32/74/53/457327453.db2.gz FTDILOVBOZFLNM-QGZVFWFLSA-N 2 2 347.466 3.201 10 0 EGAELP Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000347419673 457417264 /nfs/dbraw/zinc/41/72/64/457417264.db2.gz WPTKIFFHFLNJGU-HNNXBMFYSA-N 2 2 325.460 3.014 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)nc1 ZINC000360972894 457480387 /nfs/dbraw/zinc/48/03/87/457480387.db2.gz DPFMUALCYCIZIM-WSTZPKSXSA-N 2 2 343.515 3.231 10 0 EGAELP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361023190 457517115 /nfs/dbraw/zinc/51/71/15/457517115.db2.gz LIPVOJYXNYTEHK-MSOLQXFVSA-N 2 2 346.519 3.273 10 0 EGAELP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c1 ZINC000425429106 457551627 /nfs/dbraw/zinc/55/16/27/457551627.db2.gz XZDBUOKFDMATLA-UHFFFAOYSA-N 2 2 345.450 3.169 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057677 457655415 /nfs/dbraw/zinc/65/54/15/457655415.db2.gz HZLTWOYFTBGXQZ-MJGOQNOKSA-N 2 2 328.500 3.354 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000433057677 457655420 /nfs/dbraw/zinc/65/54/20/457655420.db2.gz HZLTWOYFTBGXQZ-MJGOQNOKSA-N 2 2 328.500 3.354 10 0 EGAELP OCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000433058403 457655688 /nfs/dbraw/zinc/65/56/88/457655688.db2.gz PRPVFOCMNIZCHG-LJQANCHMSA-N 2 2 328.500 3.183 10 0 EGAELP OCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000433058403 457655692 /nfs/dbraw/zinc/65/56/92/457655692.db2.gz PRPVFOCMNIZCHG-LJQANCHMSA-N 2 2 328.500 3.183 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000361318184 457691574 /nfs/dbraw/zinc/69/15/74/457691574.db2.gz IJUNQIOFSNISNQ-QGZVFWFLSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000361318184 457691576 /nfs/dbraw/zinc/69/15/76/457691576.db2.gz IJUNQIOFSNISNQ-QGZVFWFLSA-N 2 2 342.487 3.102 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000361380416 457712071 /nfs/dbraw/zinc/71/20/71/457712071.db2.gz XVFZKTNETVXQEA-GYCJOSAFSA-N 2 2 347.528 3.215 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000361380416 457712074 /nfs/dbraw/zinc/71/20/74/457712074.db2.gz XVFZKTNETVXQEA-GYCJOSAFSA-N 2 2 347.528 3.215 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361863243 457916003 /nfs/dbraw/zinc/91/60/03/457916003.db2.gz UPDSQXJZFDGKEK-MOPGFXCFSA-N 2 2 325.456 3.429 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361863243 457916006 /nfs/dbraw/zinc/91/60/06/457916006.db2.gz UPDSQXJZFDGKEK-MOPGFXCFSA-N 2 2 325.456 3.429 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829249 458233307 /nfs/dbraw/zinc/23/33/07/458233307.db2.gz FRCCDMORJMLXSV-DAYGRLMNSA-N 2 2 330.451 3.491 10 0 EGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000446829249 458233313 /nfs/dbraw/zinc/23/33/13/458233313.db2.gz FRCCDMORJMLXSV-DAYGRLMNSA-N 2 2 330.451 3.491 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002193 458251699 /nfs/dbraw/zinc/25/16/99/458251699.db2.gz JHCWFOOOFQDOTL-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002193 458251706 /nfs/dbraw/zinc/25/17/06/458251706.db2.gz JHCWFOOOFQDOTL-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429002193 458251714 /nfs/dbraw/zinc/25/17/14/458251714.db2.gz JHCWFOOOFQDOTL-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429002193 458251727 /nfs/dbraw/zinc/25/17/27/458251727.db2.gz JHCWFOOOFQDOTL-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000430089068 458399363 /nfs/dbraw/zinc/39/93/63/458399363.db2.gz YLIZEYVBICCHJW-KRWDZBQOSA-N 2 2 340.471 3.068 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000430089068 458399365 /nfs/dbraw/zinc/39/93/65/458399365.db2.gz YLIZEYVBICCHJW-KRWDZBQOSA-N 2 2 340.471 3.068 10 0 EGAELP C[N@H+](Cc1ccccc1)C1CN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000459598325 458423834 /nfs/dbraw/zinc/42/38/34/458423834.db2.gz WPHCNWIUTRKDMI-UHFFFAOYSA-N 2 2 346.478 3.248 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1CN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000459598325 458423835 /nfs/dbraw/zinc/42/38/35/458423835.db2.gz WPHCNWIUTRKDMI-UHFFFAOYSA-N 2 2 346.478 3.248 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518962 458450072 /nfs/dbraw/zinc/45/00/72/458450072.db2.gz CVOCRPNTHMLEAK-WOJBJXKFSA-N 3 2 327.516 3.148 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423517538 458450230 /nfs/dbraw/zinc/45/02/30/458450230.db2.gz YYRPDBAHXUKKIU-IFXJQAMLSA-N 2 2 346.496 3.003 10 0 EGAELP CC[N@H+](CCCNC(=O)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000431632310 458598321 /nfs/dbraw/zinc/59/83/21/458598321.db2.gz XBRPPSVMSBKMFS-GOSISDBHSA-N 2 2 331.504 3.284 10 0 EGAELP CC[N@@H+](CCCNC(=O)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000431632310 458598333 /nfs/dbraw/zinc/59/83/33/458598333.db2.gz XBRPPSVMSBKMFS-GOSISDBHSA-N 2 2 331.504 3.284 10 0 EGAELP CC[NH+](CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431632310 458598339 /nfs/dbraw/zinc/59/83/39/458598339.db2.gz XBRPPSVMSBKMFS-GOSISDBHSA-N 2 2 331.504 3.284 10 0 EGAELP CC[NH+](CCCNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431632310 458598346 /nfs/dbraw/zinc/59/83/46/458598346.db2.gz XBRPPSVMSBKMFS-GOSISDBHSA-N 2 2 331.504 3.284 10 0 EGAELP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000439115823 458656703 /nfs/dbraw/zinc/65/67/03/458656703.db2.gz FDEGSJFGWUASJD-JXFKEZNVSA-N 2 2 347.466 3.372 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000471246583 458687995 /nfs/dbraw/zinc/68/79/95/458687995.db2.gz ZNRJCFPXPZNRLW-ZWOKBUDYSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000471246583 458687998 /nfs/dbraw/zinc/68/79/98/458687998.db2.gz ZNRJCFPXPZNRLW-ZWOKBUDYSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471246583 458688003 /nfs/dbraw/zinc/68/80/03/458688003.db2.gz ZNRJCFPXPZNRLW-ZWOKBUDYSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471246583 458688007 /nfs/dbraw/zinc/68/80/07/458688007.db2.gz ZNRJCFPXPZNRLW-ZWOKBUDYSA-N 2 2 345.531 3.088 10 0 EGAELP c1cc(-c2ccccc2)sc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000530214945 458719547 /nfs/dbraw/zinc/71/95/47/458719547.db2.gz ZBORYQYVAJUSCG-PKOBYXMFSA-N 2 2 328.481 3.272 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242023 458727513 /nfs/dbraw/zinc/72/75/13/458727513.db2.gz GGJNKFKMHYLKNU-FGZHOGPDSA-N 2 2 338.495 3.350 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Cc1ccc2ccccc2c1 ZINC000530242023 458727516 /nfs/dbraw/zinc/72/75/16/458727516.db2.gz GGJNKFKMHYLKNU-FGZHOGPDSA-N 2 2 338.495 3.350 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530242893 458728866 /nfs/dbraw/zinc/72/88/66/458728866.db2.gz PTXVLUHXYOKXFC-KRWDZBQOSA-N 2 2 334.508 3.355 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959693 /nfs/dbraw/zinc/95/96/93/458959693.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959696 /nfs/dbraw/zinc/95/96/96/458959696.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959699 /nfs/dbraw/zinc/95/96/99/458959699.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959704 /nfs/dbraw/zinc/95/97/04/458959704.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 3 2 329.532 3.204 10 0 EGAELP C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000577379427 459025539 /nfs/dbraw/zinc/02/55/39/459025539.db2.gz MERJBBHPUMVKAE-UHFFFAOYSA-N 2 2 346.478 3.209 10 0 EGAELP C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000577379427 459025546 /nfs/dbraw/zinc/02/55/46/459025546.db2.gz MERJBBHPUMVKAE-UHFFFAOYSA-N 2 2 346.478 3.209 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028380 /nfs/dbraw/zinc/02/83/80/459028380.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 3 2 341.543 3.359 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028385 /nfs/dbraw/zinc/02/83/85/459028385.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028387 /nfs/dbraw/zinc/02/83/87/459028387.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 3 2 341.543 3.359 10 0 EGAELP C[NH+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028392 /nfs/dbraw/zinc/02/83/92/459028392.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 3 2 341.543 3.359 10 0 EGAELP CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532155265 459037676 /nfs/dbraw/zinc/03/76/76/459037676.db2.gz RPVGFGFRCSRYSX-GOSISDBHSA-N 2 2 337.552 3.127 10 0 EGAELP CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532155265 459037682 /nfs/dbraw/zinc/03/76/82/459037682.db2.gz RPVGFGFRCSRYSX-GOSISDBHSA-N 2 2 337.552 3.127 10 0 EGAELP CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532155267 459038633 /nfs/dbraw/zinc/03/86/33/459038633.db2.gz RPVGFGFRCSRYSX-SFHVURJKSA-N 2 2 337.552 3.127 10 0 EGAELP CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532155267 459038637 /nfs/dbraw/zinc/03/86/37/459038637.db2.gz RPVGFGFRCSRYSX-SFHVURJKSA-N 2 2 337.552 3.127 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000594496141 459060485 /nfs/dbraw/zinc/06/04/85/459060485.db2.gz IJIVJTMTATUKEX-GOSISDBHSA-N 2 2 339.439 3.337 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514660 459103737 /nfs/dbraw/zinc/10/37/37/459103737.db2.gz MTLAZMIZKIKUSG-BEFAXECRSA-N 3 2 335.923 3.092 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514660 459103741 /nfs/dbraw/zinc/10/37/41/459103741.db2.gz MTLAZMIZKIKUSG-BEFAXECRSA-N 3 2 335.923 3.092 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000481048327 459229491 /nfs/dbraw/zinc/22/94/91/459229491.db2.gz LPCSAANOQABQKD-WOSRLPQWSA-N 2 2 325.294 3.310 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000481048327 459229495 /nfs/dbraw/zinc/22/94/95/459229495.db2.gz LPCSAANOQABQKD-WOSRLPQWSA-N 2 2 325.294 3.310 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000582126051 459312821 /nfs/dbraw/zinc/31/28/21/459312821.db2.gz OCLAEPVQFZIODI-UHFFFAOYSA-N 2 2 328.859 3.112 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)[nH]1 ZINC000534348376 459320994 /nfs/dbraw/zinc/32/09/94/459320994.db2.gz GZGLRXXOJNFWQU-LJQANCHMSA-N 2 2 341.455 3.347 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)co2)cc1F ZINC000582789431 459427332 /nfs/dbraw/zinc/42/73/32/459427332.db2.gz ZJXFWDWCDDYFGX-GOSISDBHSA-N 2 2 333.382 3.195 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)co2)cc1F ZINC000582789431 459427339 /nfs/dbraw/zinc/42/73/39/459427339.db2.gz ZJXFWDWCDDYFGX-GOSISDBHSA-N 2 2 333.382 3.195 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000583363878 459526580 /nfs/dbraw/zinc/52/65/80/459526580.db2.gz FFCGDSPPSWBKNZ-MAODMQOUSA-N 2 2 342.458 3.154 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000583363878 459526581 /nfs/dbraw/zinc/52/65/81/459526581.db2.gz FFCGDSPPSWBKNZ-MAODMQOUSA-N 2 2 342.458 3.154 10 0 EGAELP CSCc1cnc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)s1 ZINC000592378487 459586463 /nfs/dbraw/zinc/58/64/63/459586463.db2.gz ALGDPNUVEGLTAW-UHFFFAOYSA-N 2 2 332.498 3.295 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCC(C)(F)F)c2cc1C ZINC000572870249 459589233 /nfs/dbraw/zinc/58/92/33/459589233.db2.gz IFJSDLFGWUMXHO-CQSZACIVSA-N 2 2 325.403 3.039 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934680 459621428 /nfs/dbraw/zinc/62/14/28/459621428.db2.gz QONMZMLUKKVENP-GOSISDBHSA-N 2 2 338.879 3.323 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934680 459621432 /nfs/dbraw/zinc/62/14/32/459621432.db2.gz QONMZMLUKKVENP-GOSISDBHSA-N 2 2 338.879 3.323 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nnc2n1CCCCC2 ZINC000543244324 459637842 /nfs/dbraw/zinc/63/78/42/459637842.db2.gz CWBDDGMTYVXDJO-CYBMUJFWSA-N 2 2 342.472 3.103 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccsc2Br)CCCO1 ZINC000527700029 459705925 /nfs/dbraw/zinc/70/59/25/459705925.db2.gz KAZLKIWEGUEAKL-LBPRGKRZSA-N 2 2 347.322 3.101 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2Br)CCCO1 ZINC000527700029 459705931 /nfs/dbraw/zinc/70/59/31/459705931.db2.gz KAZLKIWEGUEAKL-LBPRGKRZSA-N 2 2 347.322 3.101 10 0 EGAELP FC(F)(F)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)n1cccn1 ZINC000527741448 459720978 /nfs/dbraw/zinc/72/09/78/459720978.db2.gz BUZAXXWEYAWLRA-CYBMUJFWSA-N 2 2 341.362 3.024 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409322 459730637 /nfs/dbraw/zinc/73/06/37/459730637.db2.gz BRSHGXKKXBRVBF-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409322 459730642 /nfs/dbraw/zinc/73/06/42/459730642.db2.gz BRSHGXKKXBRVBF-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409322 459730649 /nfs/dbraw/zinc/73/06/49/459730649.db2.gz BRSHGXKKXBRVBF-WOJBJXKFSA-N 3 2 327.516 3.115 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000527793269 459737901 /nfs/dbraw/zinc/73/79/01/459737901.db2.gz XOOHACOLYNKXLP-RYUDHWBXSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000527793269 459737907 /nfs/dbraw/zinc/73/79/07/459737907.db2.gz XOOHACOLYNKXLP-RYUDHWBXSA-N 2 2 345.231 3.444 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)CC3 ZINC000545896818 459868469 /nfs/dbraw/zinc/86/84/69/459868469.db2.gz QNSXVLVYWALQQF-CVEARBPZSA-N 2 2 341.499 3.498 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)CC3 ZINC000545896818 459868473 /nfs/dbraw/zinc/86/84/73/459868473.db2.gz QNSXVLVYWALQQF-CVEARBPZSA-N 2 2 341.499 3.498 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718265 460024960 /nfs/dbraw/zinc/02/49/60/460024960.db2.gz BKOAAESTKCDYPX-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718265 460024965 /nfs/dbraw/zinc/02/49/65/460024965.db2.gz BKOAAESTKCDYPX-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718265 460024971 /nfs/dbraw/zinc/02/49/71/460024971.db2.gz BKOAAESTKCDYPX-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718265 460024978 /nfs/dbraw/zinc/02/49/78/460024978.db2.gz BKOAAESTKCDYPX-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000625876643 460290050 /nfs/dbraw/zinc/29/00/50/460290050.db2.gz WXBXKVUTRIUDGF-OWCLPIDISA-N 2 2 345.491 3.031 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000625876640 460290127 /nfs/dbraw/zinc/29/01/27/460290127.db2.gz WXBXKVUTRIUDGF-ARFHVFGLSA-N 2 2 345.491 3.031 10 0 EGAELP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968496 460365716 /nfs/dbraw/zinc/36/57/16/460365716.db2.gz XATBXPLCXSJRKY-RBBKRZOGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968496 460365719 /nfs/dbraw/zinc/36/57/19/460365719.db2.gz XATBXPLCXSJRKY-RBBKRZOGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603968496 460365723 /nfs/dbraw/zinc/36/57/23/460365723.db2.gz XATBXPLCXSJRKY-RBBKRZOGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603968496 460365726 /nfs/dbraw/zinc/36/57/26/460365726.db2.gz XATBXPLCXSJRKY-RBBKRZOGSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968498 460366083 /nfs/dbraw/zinc/36/60/83/460366083.db2.gz XATBXPLCXSJRKY-UNMCSNQZSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000603968498 460366087 /nfs/dbraw/zinc/36/60/87/460366087.db2.gz XATBXPLCXSJRKY-UNMCSNQZSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603968498 460366089 /nfs/dbraw/zinc/36/60/89/460366089.db2.gz XATBXPLCXSJRKY-UNMCSNQZSA-N 2 2 338.495 3.489 10 0 EGAELP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603968498 460366096 /nfs/dbraw/zinc/36/60/96/460366096.db2.gz XATBXPLCXSJRKY-UNMCSNQZSA-N 2 2 338.495 3.489 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454415 460418657 /nfs/dbraw/zinc/41/86/57/460418657.db2.gz IBWHLNDGWDLTGJ-PXNSSMCTSA-N 2 2 346.515 3.249 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454415 460418665 /nfs/dbraw/zinc/41/86/65/460418665.db2.gz IBWHLNDGWDLTGJ-PXNSSMCTSA-N 2 2 346.515 3.249 10 0 EGAELP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000634732759 460497598 /nfs/dbraw/zinc/49/75/98/460497598.db2.gz OEEGQFDPTQOBRI-LBPRGKRZSA-N 2 2 327.266 3.023 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430310 460545120 /nfs/dbraw/zinc/54/51/20/460545120.db2.gz KNDPFVHALSFRCD-ZBFHGGJFSA-N 2 2 349.906 3.298 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1(C)C ZINC000623430310 460545124 /nfs/dbraw/zinc/54/51/24/460545124.db2.gz KNDPFVHALSFRCD-ZBFHGGJFSA-N 2 2 349.906 3.298 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534625 460799169 /nfs/dbraw/zinc/79/91/69/460799169.db2.gz AUDRUSHPQZMPDG-AGIUHOORSA-N 2 2 343.393 3.153 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCC34CC4)c2cc1C ZINC000629620064 460831892 /nfs/dbraw/zinc/83/18/92/460831892.db2.gz ZSNCRXDTEJDDJJ-DLBZAZTESA-N 2 2 327.472 3.184 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[NH2+]1 ZINC000629659463 460852770 /nfs/dbraw/zinc/85/27/70/460852770.db2.gz AICLDFTYMMELEX-LPHOPBHVSA-N 2 2 347.466 3.164 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665602 460855507 /nfs/dbraw/zinc/85/55/07/460855507.db2.gz NREQHQZUJMRUHU-OYRHEFFESA-N 3 2 329.532 3.076 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665602 460855515 /nfs/dbraw/zinc/85/55/15/460855515.db2.gz NREQHQZUJMRUHU-OYRHEFFESA-N 3 2 329.532 3.076 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665602 460855517 /nfs/dbraw/zinc/85/55/17/460855517.db2.gz NREQHQZUJMRUHU-OYRHEFFESA-N 3 2 329.532 3.076 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665602 460855524 /nfs/dbraw/zinc/85/55/24/460855524.db2.gz NREQHQZUJMRUHU-OYRHEFFESA-N 3 2 329.532 3.076 10 0 EGAELP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000624146899 460884854 /nfs/dbraw/zinc/88/48/54/460884854.db2.gz NJBZKTNEICWJLJ-MISYRCLQSA-N 2 2 338.536 3.203 10 0 EGAELP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189255 460902853 /nfs/dbraw/zinc/90/28/53/460902853.db2.gz BCNCKGSKLRRCOQ-YJBOKZPZSA-N 2 2 345.487 3.019 10 0 EGAELP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189255 460902858 /nfs/dbraw/zinc/90/28/58/460902858.db2.gz BCNCKGSKLRRCOQ-YJBOKZPZSA-N 2 2 345.487 3.019 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n1)C2 ZINC000624375615 460981890 /nfs/dbraw/zinc/98/18/90/460981890.db2.gz UTOPVBGIZQKLJM-OALUTQOASA-N 2 2 349.482 3.426 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)n1)C2 ZINC000624375615 460981896 /nfs/dbraw/zinc/98/18/96/460981896.db2.gz UTOPVBGIZQKLJM-OALUTQOASA-N 2 2 349.482 3.426 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185705 461037908 /nfs/dbraw/zinc/03/79/08/461037908.db2.gz ILKQWZBFEBDRBY-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185705 461037914 /nfs/dbraw/zinc/03/79/14/461037914.db2.gz ILKQWZBFEBDRBY-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185705 461037921 /nfs/dbraw/zinc/03/79/21/461037921.db2.gz ILKQWZBFEBDRBY-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628185705 461037926 /nfs/dbraw/zinc/03/79/26/461037926.db2.gz ILKQWZBFEBDRBY-QGZVFWFLSA-N 2 2 332.488 3.400 10 0 EGAELP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC000628214428 461052150 /nfs/dbraw/zinc/05/21/50/461052150.db2.gz XBVFTSDSHODLTL-CQSZACIVSA-N 2 2 346.450 3.115 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccsc1 ZINC000624557809 461052706 /nfs/dbraw/zinc/05/27/06/461052706.db2.gz ZLOIPKAYFSKDTA-OALUTQOASA-N 2 2 330.497 3.378 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccsc1 ZINC000624557809 461052711 /nfs/dbraw/zinc/05/27/11/461052711.db2.gz ZLOIPKAYFSKDTA-OALUTQOASA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000624557809 461052713 /nfs/dbraw/zinc/05/27/13/461052713.db2.gz ZLOIPKAYFSKDTA-OALUTQOASA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000624557809 461052715 /nfs/dbraw/zinc/05/27/15/461052715.db2.gz ZLOIPKAYFSKDTA-OALUTQOASA-N 2 2 330.497 3.378 10 0 EGAELP Brc1scnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294144 461173646 /nfs/dbraw/zinc/17/36/46/461173646.db2.gz PMDKZIACLDSDIW-GFCCVEGCSA-N 2 2 344.322 3.117 10 0 EGAELP Brc1scnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294144 461173653 /nfs/dbraw/zinc/17/36/53/461173653.db2.gz PMDKZIACLDSDIW-GFCCVEGCSA-N 2 2 344.322 3.117 10 0 EGAELP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC1C[NH+](C)C1 ZINC000668538547 461319942 /nfs/dbraw/zinc/31/99/42/461319942.db2.gz CHXVKOVSICVCKA-UHFFFAOYSA-N 2 2 338.377 3.089 10 0 EGAELP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC1C[NH+](C)C1 ZINC000668538547 461319950 /nfs/dbraw/zinc/31/99/50/461319950.db2.gz CHXVKOVSICVCKA-UHFFFAOYSA-N 2 2 338.377 3.089 10 0 EGAELP C[C@H](CC[NH2+]Cc1cc2n(n1)CCCC2)[N@H+](C)Cc1ccccc1 ZINC000655741962 461407589 /nfs/dbraw/zinc/40/75/89/461407589.db2.gz CKBGLDDIUWQFHN-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP C[C@H](CC[NH2+]Cc1cc2n(n1)CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000655741962 461407599 /nfs/dbraw/zinc/40/75/99/461407599.db2.gz CKBGLDDIUWQFHN-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784812 461433621 /nfs/dbraw/zinc/43/36/21/461433621.db2.gz IOXNDCIYBPJWIV-RDTXWAMCSA-N 2 2 326.431 3.111 10 0 EGAELP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784812 461433629 /nfs/dbraw/zinc/43/36/29/461433629.db2.gz IOXNDCIYBPJWIV-RDTXWAMCSA-N 2 2 326.431 3.111 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000642190913 461465608 /nfs/dbraw/zinc/46/56/08/461465608.db2.gz FYNWFJGGIYGBNG-ZDUSSCGKSA-N 2 2 339.418 3.172 10 0 EGAELP C[C@@H](C[NH2+]Cc1ncc(Br)cc1Cl)Cn1cc[nH+]c1 ZINC000631053707 461506763 /nfs/dbraw/zinc/50/67/63/461506763.db2.gz HFDJSAJCJRAJBR-JTQLQIEISA-N 2 2 343.656 3.120 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000631080750 461530755 /nfs/dbraw/zinc/53/07/55/461530755.db2.gz YAIMXPYTCDMFNE-GXSJLCMTSA-N 2 2 332.673 3.070 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@H+]1C ZINC000631080750 461530758 /nfs/dbraw/zinc/53/07/58/461530758.db2.gz YAIMXPYTCDMFNE-GXSJLCMTSA-N 2 2 332.673 3.070 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+]Cc3ncc(C(F)(F)F)s3)cn21 ZINC000647263175 461600163 /nfs/dbraw/zinc/60/01/63/461600163.db2.gz SRVWKVAPQSYAGM-UHFFFAOYSA-N 2 2 340.374 3.450 10 0 EGAELP COc1c(C)[nH+]cnc1NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000656126249 461607669 /nfs/dbraw/zinc/60/76/69/461607669.db2.gz CSSHHDWKNPOKKE-OAHLLOKOSA-N 2 2 326.444 3.431 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCC3(CC3)C2)([NH+]2CCCCC2)CC1 ZINC000669251919 461616523 /nfs/dbraw/zinc/61/65/23/461616523.db2.gz ITFXEDAVMRYWBS-GOSISDBHSA-N 2 2 347.547 3.023 10 0 EGAELP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000656250131 461671816 /nfs/dbraw/zinc/67/18/16/461671816.db2.gz JQMQSILZZPAAJJ-UHFFFAOYSA-N 2 2 332.879 3.360 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663538868 461696875 /nfs/dbraw/zinc/69/68/75/461696875.db2.gz IHYZTERGUOAOJG-OAHLLOKOSA-N 2 2 338.411 3.290 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480335 461726330 /nfs/dbraw/zinc/72/63/30/461726330.db2.gz JXOGCWBXDKJJLI-MLGOLLRUSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480335 461726339 /nfs/dbraw/zinc/72/63/39/461726339.db2.gz JXOGCWBXDKJJLI-MLGOLLRUSA-N 2 2 339.277 3.119 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000663727801 461777017 /nfs/dbraw/zinc/77/70/17/461777017.db2.gz HUKRLSVPDVCVAJ-AWEZNQCLSA-N 2 2 329.366 3.074 10 0 EGAELP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541800 461843007 /nfs/dbraw/zinc/84/30/07/461843007.db2.gz YJBNGXWKBAUSJU-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541800 461843010 /nfs/dbraw/zinc/84/30/10/461843010.db2.gz YJBNGXWKBAUSJU-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000660541800 461843018 /nfs/dbraw/zinc/84/30/18/461843018.db2.gz YJBNGXWKBAUSJU-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000660541800 461843022 /nfs/dbraw/zinc/84/30/22/461843022.db2.gz YJBNGXWKBAUSJU-ROUUACIJSA-N 2 2 336.426 3.009 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000656701876 461848920 /nfs/dbraw/zinc/84/89/20/461848920.db2.gz FBKVHUATIAODNN-UXHICEINSA-N 2 2 326.484 3.206 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000656701876 461848928 /nfs/dbraw/zinc/84/89/28/461848928.db2.gz FBKVHUATIAODNN-UXHICEINSA-N 2 2 326.484 3.206 10 0 EGAELP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901000 461876757 /nfs/dbraw/zinc/87/67/57/461876757.db2.gz INNSGRSDNUYPEL-CBJHCWRLSA-N 2 2 347.547 3.020 10 0 EGAELP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901000 461876763 /nfs/dbraw/zinc/87/67/63/461876763.db2.gz INNSGRSDNUYPEL-CBJHCWRLSA-N 2 2 347.547 3.020 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903679 461878286 /nfs/dbraw/zinc/87/82/86/461878286.db2.gz OFGCOXTZFMXYPZ-QAPCUYQASA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903679 461878292 /nfs/dbraw/zinc/87/82/92/461878292.db2.gz OFGCOXTZFMXYPZ-QAPCUYQASA-N 2 2 342.512 3.273 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC)cc2F)cc1 ZINC000656789931 461899859 /nfs/dbraw/zinc/89/98/59/461899859.db2.gz DOMSLJXXYSTFKG-ICSRJNTNSA-N 2 2 344.430 3.078 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C)c2)cc1F ZINC000656790623 461901341 /nfs/dbraw/zinc/90/13/41/461901341.db2.gz FFSGSSZHJKODRC-HKUYNNGSSA-N 2 2 328.431 3.378 10 0 EGAELP COc1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000660854831 461997234 /nfs/dbraw/zinc/99/72/34/461997234.db2.gz FCEWBALWRGKSOU-UHFFFAOYSA-N 2 2 336.439 3.421 10 0 EGAELP CC1CC[NH+](CCC[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657294559 462023506 /nfs/dbraw/zinc/02/35/06/462023506.db2.gz SBDJGGQAPCFRGT-UHFFFAOYSA-N 2 2 344.272 3.195 10 0 EGAELP c1cc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657308703 462033136 /nfs/dbraw/zinc/03/31/36/462033136.db2.gz APRVSTXVIPVHNB-UHFFFAOYSA-N 2 2 349.438 3.274 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347981 462062066 /nfs/dbraw/zinc/06/20/66/462062066.db2.gz INOALSOEDIDRFV-PKOBYXMFSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347981 462062072 /nfs/dbraw/zinc/06/20/72/462062072.db2.gz INOALSOEDIDRFV-PKOBYXMFSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347977 462063066 /nfs/dbraw/zinc/06/30/66/462063066.db2.gz INOALSOEDIDRFV-IEBWSBKVSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347977 462063077 /nfs/dbraw/zinc/06/30/77/462063077.db2.gz INOALSOEDIDRFV-IEBWSBKVSA-N 2 2 347.466 3.192 10 0 EGAELP c1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nnn1C1CCC1 ZINC000667501844 462115765 /nfs/dbraw/zinc/11/57/65/462115765.db2.gz NCIZSDGZAOHDBD-UHFFFAOYSA-N 2 2 331.508 3.091 10 0 EGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cnn2c1CCC2 ZINC000657438447 462124001 /nfs/dbraw/zinc/12/40/01/462124001.db2.gz QYBZOLUHMQAVFD-IBGZPJMESA-N 2 2 326.488 3.076 10 0 EGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cnn2c1CCC2 ZINC000657438447 462124005 /nfs/dbraw/zinc/12/40/05/462124005.db2.gz QYBZOLUHMQAVFD-IBGZPJMESA-N 2 2 326.488 3.076 10 0 EGAELP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000657463581 462139412 /nfs/dbraw/zinc/13/94/12/462139412.db2.gz OSXFTSOCBBIBJY-JKHFOPOESA-N 2 2 335.536 3.019 10 0 EGAELP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000657463581 462139417 /nfs/dbraw/zinc/13/94/17/462139417.db2.gz OSXFTSOCBBIBJY-JKHFOPOESA-N 2 2 335.536 3.019 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000657480781 462149904 /nfs/dbraw/zinc/14/99/04/462149904.db2.gz WBHWQQUZHRLBGY-SFHVURJKSA-N 2 2 345.512 3.055 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000657480781 462149908 /nfs/dbraw/zinc/14/99/08/462149908.db2.gz WBHWQQUZHRLBGY-SFHVURJKSA-N 2 2 345.512 3.055 10 0 EGAELP c1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667591430 462162831 /nfs/dbraw/zinc/16/28/31/462162831.db2.gz RYGKAAIIUIKKLS-FQEVSTJZSA-N 2 2 334.423 3.231 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(OC(F)F)c1 ZINC000657523667 462167332 /nfs/dbraw/zinc/16/73/32/462167332.db2.gz HTWKXVZWUAAVQM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(OC(F)F)c1 ZINC000657523667 462167336 /nfs/dbraw/zinc/16/73/36/462167336.db2.gz HTWKXVZWUAAVQM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773570 462261962 /nfs/dbraw/zinc/26/19/62/462261962.db2.gz SIFZNRKDSFBCOQ-IBGZPJMESA-N 3 2 338.499 3.120 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773570 462261967 /nfs/dbraw/zinc/26/19/67/462261967.db2.gz SIFZNRKDSFBCOQ-IBGZPJMESA-N 3 2 338.499 3.120 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C(F)F ZINC000657842073 462292078 /nfs/dbraw/zinc/29/20/78/462292078.db2.gz TUBLRZWVIYLFRT-AWEZNQCLSA-N 2 2 326.431 3.288 10 0 EGAELP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C(F)F ZINC000657951839 462326626 /nfs/dbraw/zinc/32/66/26/462326626.db2.gz CPJCTZIWEZPVTI-GXTWGEPZSA-N 2 2 326.435 3.314 10 0 EGAELP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)c(Cl)c1OC ZINC000651865941 462359691 /nfs/dbraw/zinc/35/96/91/462359691.db2.gz NVQRTZUPYAXWJL-UHFFFAOYSA-N 2 2 328.884 3.425 10 0 EGAELP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(Cl)c1OC ZINC000651865941 462359696 /nfs/dbraw/zinc/35/96/96/462359696.db2.gz NVQRTZUPYAXWJL-UHFFFAOYSA-N 2 2 328.884 3.425 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057169 462362053 /nfs/dbraw/zinc/36/20/53/462362053.db2.gz NODVTNJUFBGGDQ-SJLPKXTDSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057169 462362059 /nfs/dbraw/zinc/36/20/59/462362059.db2.gz NODVTNJUFBGGDQ-SJLPKXTDSA-N 3 2 333.520 3.150 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059849 462362281 /nfs/dbraw/zinc/36/22/81/462362281.db2.gz XVWQBAWTEQCQIX-DLBZAZTESA-N 2 2 334.504 3.487 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059849 462362284 /nfs/dbraw/zinc/36/22/84/462362284.db2.gz XVWQBAWTEQCQIX-DLBZAZTESA-N 2 2 334.504 3.487 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690299 462368442 /nfs/dbraw/zinc/36/84/42/462368442.db2.gz LMYQFZITRFFOAJ-HUUCEWRRSA-N 2 2 344.434 3.475 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690299 462368445 /nfs/dbraw/zinc/36/84/45/462368445.db2.gz LMYQFZITRFFOAJ-HUUCEWRRSA-N 2 2 344.434 3.475 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000665273318 462378553 /nfs/dbraw/zinc/37/85/53/462378553.db2.gz UKIKWNBQGBLIPQ-HKBOAZHASA-N 2 2 337.467 3.348 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277268 462381556 /nfs/dbraw/zinc/38/15/56/462381556.db2.gz XWUWDBWZBWHBRH-JBACZVJFSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277268 462381559 /nfs/dbraw/zinc/38/15/59/462381559.db2.gz XWUWDBWZBWHBRH-JBACZVJFSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277265 462381989 /nfs/dbraw/zinc/38/19/89/462381989.db2.gz XWUWDBWZBWHBRH-GIVPXCGWSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277265 462381992 /nfs/dbraw/zinc/38/19/92/462381992.db2.gz XWUWDBWZBWHBRH-GIVPXCGWSA-N 3 2 341.543 3.409 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000668096996 462417436 /nfs/dbraw/zinc/41/74/36/462417436.db2.gz VUCBSMJAKWQJMJ-UHFFFAOYSA-N 2 2 336.439 3.202 10 0 EGAELP CC(C)[C@@H](O)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000658287471 462458143 /nfs/dbraw/zinc/45/81/43/462458143.db2.gz GVLFPUOHTRGQMX-LEWJYISDSA-N 2 2 339.483 3.398 10 0 EGAELP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658296720 462463061 /nfs/dbraw/zinc/46/30/61/462463061.db2.gz VJRJBPPWZPNVOK-GDBMZVCRSA-N 2 2 338.854 3.309 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203689 462470901 /nfs/dbraw/zinc/47/09/01/462470901.db2.gz UZABJTHNHVHFFQ-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652203689 462470907 /nfs/dbraw/zinc/47/09/07/462470907.db2.gz UZABJTHNHVHFFQ-WOJBJXKFSA-N 2 2 331.504 3.139 10 0 EGAELP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1OC ZINC000652222099 462478490 /nfs/dbraw/zinc/47/84/90/462478490.db2.gz FKPSOCQVJWMZIS-CQSZACIVSA-N 2 2 326.456 3.471 10 0 EGAELP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1OC ZINC000652222099 462478496 /nfs/dbraw/zinc/47/84/96/462478496.db2.gz FKPSOCQVJWMZIS-CQSZACIVSA-N 2 2 326.456 3.471 10 0 EGAELP NC(=O)CC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658339989 462481611 /nfs/dbraw/zinc/48/16/11/462481611.db2.gz VUTFFTMKVICKMA-LJQANCHMSA-N 2 2 343.515 3.067 10 0 EGAELP NC(=O)CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658339989 462481616 /nfs/dbraw/zinc/48/16/16/462481616.db2.gz VUTFFTMKVICKMA-LJQANCHMSA-N 2 2 343.515 3.067 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000178219448 526644086 /nfs/dbraw/zinc/64/40/86/526644086.db2.gz HRHKWSXEGLWHEZ-AWEZNQCLSA-N 2 2 336.233 3.149 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000344736792 536522713 /nfs/dbraw/zinc/52/27/13/536522713.db2.gz ASPJXOPHQZXCRF-INIZCTEOSA-N 2 2 334.504 3.105 10 0 EGAELP CC(C)c1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc(C(C)C)[nH+]1 ZINC000161941795 546961449 /nfs/dbraw/zinc/96/14/49/546961449.db2.gz OLJNUJQUXJEPLM-MRXNPFEDSA-N 2 2 348.535 3.252 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166427145 546988158 /nfs/dbraw/zinc/98/81/58/546988158.db2.gz ZGBBDCBMXDMYDQ-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166427145 546988161 /nfs/dbraw/zinc/98/81/61/546988161.db2.gz ZGBBDCBMXDMYDQ-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1Cl ZINC000383697661 547821445 /nfs/dbraw/zinc/82/14/45/547821445.db2.gz RSJYZTDJYBVLNH-RBSFLKMASA-N 2 2 343.862 3.035 10 0 EGAELP Nc1[nH+]cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1Cl ZINC000383697661 547821449 /nfs/dbraw/zinc/82/14/49/547821449.db2.gz RSJYZTDJYBVLNH-RBSFLKMASA-N 2 2 343.862 3.035 10 0 EGAELP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000671626550 548319912 /nfs/dbraw/zinc/31/99/12/548319912.db2.gz VUGDUZVUQUTLRM-HUUCEWRRSA-N 2 2 349.438 3.458 10 0 EGAELP C[C@H]1[C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000673701412 548599902 /nfs/dbraw/zinc/59/99/02/548599902.db2.gz JTFZBMGIRUDCFM-OXJNMPFZSA-N 2 2 347.466 3.224 10 0 EGAELP C[C@H]1[C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000673701412 548599905 /nfs/dbraw/zinc/59/99/05/548599905.db2.gz JTFZBMGIRUDCFM-OXJNMPFZSA-N 2 2 347.466 3.224 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675768460 548977132 /nfs/dbraw/zinc/97/71/32/548977132.db2.gz YEQCDYMTNNHOAI-CRAIPNDOSA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768460 548977136 /nfs/dbraw/zinc/97/71/36/548977136.db2.gz YEQCDYMTNNHOAI-CRAIPNDOSA-N 2 2 332.492 3.305 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881173 548996965 /nfs/dbraw/zinc/99/69/65/548996965.db2.gz KGKRMYIZIWYYOL-MAUKXSAKSA-N 2 2 348.535 3.241 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000676680149 549128250 /nfs/dbraw/zinc/12/82/50/549128250.db2.gz AHHFJGOGAIQCIU-HXUWFJFHSA-N 2 2 342.458 3.287 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000676680149 549128254 /nfs/dbraw/zinc/12/82/54/549128254.db2.gz AHHFJGOGAIQCIU-HXUWFJFHSA-N 2 2 342.458 3.287 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000678078044 549392062 /nfs/dbraw/zinc/39/20/62/549392062.db2.gz FWTUGVMLCWNLDV-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000678078044 549392066 /nfs/dbraw/zinc/39/20/66/549392066.db2.gz FWTUGVMLCWNLDV-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnc3ccccn23)CCC[N@@H+]1Cc1ccccc1 ZINC000681698802 550027964 /nfs/dbraw/zinc/02/79/64/550027964.db2.gz JLBOCNRNIVFSLL-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnc3ccccn23)CCC[N@H+]1Cc1ccccc1 ZINC000681698802 550027967 /nfs/dbraw/zinc/02/79/67/550027967.db2.gz JLBOCNRNIVFSLL-OAQYLSRUSA-N 2 2 334.467 3.479 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537448 550112591 /nfs/dbraw/zinc/11/25/91/550112591.db2.gz SSXHDSKHXCPSKX-HOTGVXAUSA-N 2 2 344.421 3.142 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537448 550112593 /nfs/dbraw/zinc/11/25/93/550112593.db2.gz SSXHDSKHXCPSKX-HOTGVXAUSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537448 550112595 /nfs/dbraw/zinc/11/25/95/550112595.db2.gz SSXHDSKHXCPSKX-HOTGVXAUSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537448 550112597 /nfs/dbraw/zinc/11/25/97/550112597.db2.gz SSXHDSKHXCPSKX-HOTGVXAUSA-N 2 2 344.421 3.142 10 0 EGAELP Cc1cc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)ccc1F ZINC000685662154 550437298 /nfs/dbraw/zinc/43/72/98/550437298.db2.gz MNUHSGFYMMNMRG-JXFKEZNVSA-N 2 2 336.414 3.489 10 0 EGAELP Cc1cc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)ccc1F ZINC000685662154 550437301 /nfs/dbraw/zinc/43/73/01/550437301.db2.gz MNUHSGFYMMNMRG-JXFKEZNVSA-N 2 2 336.414 3.489 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2ccccc2c1 ZINC000729919825 574895812 /nfs/dbraw/zinc/89/58/12/574895812.db2.gz FNTKCTCABUZJMW-IBGZPJMESA-N 2 2 334.423 3.312 10 0 EGAELP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2ccccc2c1 ZINC000729919825 574895814 /nfs/dbraw/zinc/89/58/14/574895814.db2.gz FNTKCTCABUZJMW-IBGZPJMESA-N 2 2 334.423 3.312 10 0 EGAELP Cc1ncc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000742377498 576776198 /nfs/dbraw/zinc/77/61/98/576776198.db2.gz DVWXGAXUHGCFES-UHFFFAOYSA-N 2 2 330.501 3.276 10 0 EGAELP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000743261283 576804541 /nfs/dbraw/zinc/80/45/41/576804541.db2.gz DFEJHRDDFFJSEZ-NRFANRHFSA-N 2 2 342.458 3.422 10 0 EGAELP O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000743368441 576807126 /nfs/dbraw/zinc/80/71/26/576807126.db2.gz OZEMAGMINNVZII-DLBZAZTESA-N 2 2 344.846 3.105 10 0 EGAELP O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000743368441 576807127 /nfs/dbraw/zinc/80/71/27/576807127.db2.gz OZEMAGMINNVZII-DLBZAZTESA-N 2 2 344.846 3.105 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000870979636 1296164113 /nfs/dbraw/zinc/16/41/13/1296164113.db2.gz QTYPTZGHTXWOKX-OALUTQOASA-N 2 2 337.467 3.016 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000870979636 1296164122 /nfs/dbraw/zinc/16/41/22/1296164122.db2.gz QTYPTZGHTXWOKX-OALUTQOASA-N 2 2 337.467 3.016 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000870979635 1296164648 /nfs/dbraw/zinc/16/46/48/1296164648.db2.gz QTYPTZGHTXWOKX-MOPGFXCFSA-N 2 2 337.467 3.016 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000870979635 1296164657 /nfs/dbraw/zinc/16/46/57/1296164657.db2.gz QTYPTZGHTXWOKX-MOPGFXCFSA-N 2 2 337.467 3.016 10 0 EGAELP COc1cc2c(c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c1)O[C@@H](C)C2 ZINC000237405884 1296240823 /nfs/dbraw/zinc/24/08/23/1296240823.db2.gz CWXVCCDXZQMMEY-HNNXBMFYSA-N 2 2 349.434 3.494 10 0 EGAELP Cc1ccc2c(ccc(C)c2C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000872144067 1296765349 /nfs/dbraw/zinc/76/53/49/1296765349.db2.gz BEYHPYVDETVWEV-LEWJYISDSA-N 2 2 334.467 3.117 10 0 EGAELP Cc1ccc2c(ccc(C)c2C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000872144067 1296765361 /nfs/dbraw/zinc/76/53/61/1296765361.db2.gz BEYHPYVDETVWEV-LEWJYISDSA-N 2 2 334.467 3.117 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000872147923 1296766758 /nfs/dbraw/zinc/76/67/58/1296766758.db2.gz LVIOZGNYZVULSV-GDBMZVCRSA-N 2 2 342.405 3.383 10 0 EGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000872147923 1296766766 /nfs/dbraw/zinc/76/67/66/1296766766.db2.gz LVIOZGNYZVULSV-GDBMZVCRSA-N 2 2 342.405 3.383 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3Cl)C[C@H]12 ZINC000706449191 1298220767 /nfs/dbraw/zinc/22/07/67/1298220767.db2.gz CBGNUWRCLNOOJG-XHVZSJERSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3Cl)C[C@H]12 ZINC000706449191 1298220772 /nfs/dbraw/zinc/22/07/72/1298220772.db2.gz CBGNUWRCLNOOJG-XHVZSJERSA-N 2 2 329.669 3.272 10 0 EGAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000709311487 1298247801 /nfs/dbraw/zinc/24/78/01/1298247801.db2.gz VVKPMFIFHNTYMB-HZPDHXFCSA-N 2 2 339.524 3.238 10 0 EGAELP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@@H]1CCC12CCOCC2 ZINC000883346676 1302404633 /nfs/dbraw/zinc/40/46/33/1302404633.db2.gz FCHMTFAQAQPZLR-WOJBJXKFSA-N 2 2 341.499 3.342 10 0 EGAELP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+][C@@H]1CCC12CCOCC2 ZINC000883346676 1302404638 /nfs/dbraw/zinc/40/46/38/1302404638.db2.gz FCHMTFAQAQPZLR-WOJBJXKFSA-N 2 2 341.499 3.342 10 0 EGAELP c1cn(C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)c2ccccc2)c[nH+]1 ZINC000883386215 1302426112 /nfs/dbraw/zinc/42/61/12/1302426112.db2.gz BTIGBCXMRBHLTF-PZJWPPBQSA-N 2 2 332.451 3.493 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000886263623 1303413270 /nfs/dbraw/zinc/41/32/70/1303413270.db2.gz BEKYPKWFZOYYHW-YOEHRIQHSA-N 2 2 346.475 3.145 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000886263623 1303413273 /nfs/dbraw/zinc/41/32/73/1303413273.db2.gz BEKYPKWFZOYYHW-YOEHRIQHSA-N 2 2 346.475 3.145 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894172324 1306259738 /nfs/dbraw/zinc/25/97/38/1306259738.db2.gz ADNKOCOJKAVJTP-XYTVBORESA-N 2 2 348.491 3.039 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2ccnn2CC2CCC2)c2cccc[nH+]2)CC1 ZINC000895114277 1309196266 /nfs/dbraw/zinc/19/62/66/1309196266.db2.gz KHJUUDFHBLHCEP-IYARVYRRSA-N 2 2 339.487 3.355 10 0 EGAELP CC(=O)Nc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895112885 1309196870 /nfs/dbraw/zinc/19/68/70/1309196870.db2.gz YQEXROUNFUKEOA-UAPYVXQJSA-N 2 2 338.455 3.317 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c[nH+]1 ZINC000897692027 1310436192 /nfs/dbraw/zinc/43/61/92/1310436192.db2.gz SMDRMVKZQTYQQC-AEFFLSMTSA-N 2 2 342.487 3.043 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763244 1328692380 /nfs/dbraw/zinc/69/23/80/1328692380.db2.gz MFDRYVWGMWRBQW-JYJNAYRXSA-N 2 2 334.426 3.150 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763244 1328692388 /nfs/dbraw/zinc/69/23/88/1328692388.db2.gz MFDRYVWGMWRBQW-JYJNAYRXSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763244 1328692395 /nfs/dbraw/zinc/69/23/95/1328692395.db2.gz MFDRYVWGMWRBQW-JYJNAYRXSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763244 1328692400 /nfs/dbraw/zinc/69/24/00/1328692400.db2.gz MFDRYVWGMWRBQW-JYJNAYRXSA-N 2 2 334.426 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533894 1328790684 /nfs/dbraw/zinc/79/06/84/1328790684.db2.gz YDBIGJCBRNKKKR-DNVCBOLYSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533894 1328790689 /nfs/dbraw/zinc/79/06/89/1328790689.db2.gz YDBIGJCBRNKKKR-DNVCBOLYSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(Cl)n(C)n1 ZINC000859249862 1328954536 /nfs/dbraw/zinc/95/45/36/1328954536.db2.gz BDWVCRRPRHOPNW-GJZGRUSLSA-N 2 2 346.906 3.320 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747341 1322390751 /nfs/dbraw/zinc/39/07/51/1322390751.db2.gz NKZILUNPIUUHAK-DOTOQJQBSA-N 2 2 339.911 3.270 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747341 1322390753 /nfs/dbraw/zinc/39/07/53/1322390753.db2.gz NKZILUNPIUUHAK-DOTOQJQBSA-N 2 2 339.911 3.270 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000921816310 1322403851 /nfs/dbraw/zinc/40/38/51/1322403851.db2.gz HOVSPIIRFBWSLM-AEFFLSMTSA-N 2 2 338.499 3.052 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2c3c(nn2C)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000921816310 1322403856 /nfs/dbraw/zinc/40/38/56/1322403856.db2.gz HOVSPIIRFBWSLM-AEFFLSMTSA-N 2 2 338.499 3.052 10 0 EGAELP Cc1[nH+]cc(CN[C@@H](CC[NH+](C)C)c2cccnc2)n1-c1ccccc1 ZINC000922628246 1322574962 /nfs/dbraw/zinc/57/49/62/1322574962.db2.gz PLHGXAZTHBYKMF-NRFANRHFSA-N 2 2 349.482 3.358 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000924805130 1323170032 /nfs/dbraw/zinc/17/00/32/1323170032.db2.gz USKXELABECIGSV-BRWVUGGUSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000924805130 1323170036 /nfs/dbraw/zinc/17/00/36/1323170036.db2.gz USKXELABECIGSV-BRWVUGGUSA-N 2 2 342.405 3.345 10 0 EGAELP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353422 1329100747 /nfs/dbraw/zinc/10/07/47/1329100747.db2.gz BKFQORRTXWSIBT-UHFFFAOYSA-N 2 2 345.487 3.024 10 0 EGAELP C([NH2+][C@@H]1CCOC12CCCCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000925388109 1325137424 /nfs/dbraw/zinc/13/74/24/1325137424.db2.gz TUAUNZRKBBXQKN-GOSISDBHSA-N 2 2 336.520 3.103 10 0 EGAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1C(F)(F)F ZINC000925485522 1325170752 /nfs/dbraw/zinc/17/07/52/1325170752.db2.gz NYXXJZIHJFAEJR-CABCVRRESA-N 2 2 328.378 3.003 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925597192 1325226849 /nfs/dbraw/zinc/22/68/49/1325226849.db2.gz PYNFPSUGIKZFST-PMACEKPBSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925597192 1325226855 /nfs/dbraw/zinc/22/68/55/1325226855.db2.gz PYNFPSUGIKZFST-PMACEKPBSA-N 2 2 332.488 3.208 10 0 EGAELP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925719508 1325269143 /nfs/dbraw/zinc/26/91/43/1325269143.db2.gz OINBNAOWPCXHOP-UXHICEINSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1OC(F)F ZINC000925782539 1325300871 /nfs/dbraw/zinc/30/08/71/1325300871.db2.gz MCKMNJJEZRGKFQ-NXEZZACHSA-N 2 2 338.320 3.323 10 0 EGAELP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000926957200 1327796143 /nfs/dbraw/zinc/79/61/43/1327796143.db2.gz HJGMDKIZYGIIDD-VQTJNVASSA-N 2 2 346.515 3.072 10 0 EGAELP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000926957200 1327796147 /nfs/dbraw/zinc/79/61/47/1327796147.db2.gz HJGMDKIZYGIIDD-VQTJNVASSA-N 2 2 346.515 3.072 10 0 EGAELP CCO[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000926958901 1327798151 /nfs/dbraw/zinc/79/81/51/1327798151.db2.gz IGMXSQIIGCOFDL-BBRMVZONSA-N 2 2 345.409 3.034 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C)C[NH+](C)C ZINC000926961193 1327798555 /nfs/dbraw/zinc/79/85/55/1327798555.db2.gz IFSKIJZDBFYSSG-GDBMZVCRSA-N 2 2 334.460 3.367 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1)C[NH+](C)C ZINC000926965688 1327801719 /nfs/dbraw/zinc/80/17/19/1327801719.db2.gz SCISGIHBYQPGSR-OXQOHEQNSA-N 2 2 327.472 3.366 10 0 EGAELP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH2+]CC)no1 ZINC000863656543 1329571101 /nfs/dbraw/zinc/57/11/01/1329571101.db2.gz OOGWTWNCYWSTRN-IAGOWNOFSA-N 2 2 328.460 3.195 10 0 EGAELP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH2+]CC)no1 ZINC000863656543 1329571103 /nfs/dbraw/zinc/57/11/03/1329571103.db2.gz OOGWTWNCYWSTRN-IAGOWNOFSA-N 2 2 328.460 3.195 10 0 EGAELP C[NH+](C)C1(C)CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000866148611 1330070882 /nfs/dbraw/zinc/07/08/82/1330070882.db2.gz LAURPKJRDDRKTG-UHFFFAOYSA-N 2 2 330.480 3.256 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866225486 1330080677 /nfs/dbraw/zinc/08/06/77/1330080677.db2.gz ZTGUZXDIXOQYJU-VQTJNVASSA-N 2 2 325.456 3.369 10 0 EGAELP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccn1 ZINC000866266836 1330087733 /nfs/dbraw/zinc/08/77/33/1330087733.db2.gz SDXKRWDRAJBRPJ-MOPGFXCFSA-N 2 2 331.504 3.464 10 0 EGAELP FC(F)(F)CCSCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000866543437 1330124652 /nfs/dbraw/zinc/12/46/52/1330124652.db2.gz QPSKOPISIHIUTP-UHFFFAOYSA-N 2 2 333.423 3.326 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263045 1387319799 /nfs/dbraw/zinc/31/97/99/1387319799.db2.gz QVJNWPCDVHEDIM-AWFCHZOYSA-N 2 2 326.444 3.113 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263045 1387319800 /nfs/dbraw/zinc/31/98/00/1387319800.db2.gz QVJNWPCDVHEDIM-AWFCHZOYSA-N 2 2 326.444 3.113 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001323835853 1387469110 /nfs/dbraw/zinc/46/91/10/1387469110.db2.gz NVRMOTHGGIFSRP-UHFFFAOYSA-N 2 2 346.519 3.192 10 0 EGAELP CCC/C=C/CC[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001323945741 1387499169 /nfs/dbraw/zinc/49/91/69/1387499169.db2.gz FSUMPIWHFCRPKE-AATRIKPKSA-N 2 2 326.444 3.066 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001324057262 1387522747 /nfs/dbraw/zinc/52/27/47/1387522747.db2.gz QPRQTGFQMBYQJE-MAUKXSAKSA-N 2 2 342.487 3.416 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629835 1387707494 /nfs/dbraw/zinc/70/74/94/1387707494.db2.gz TUDRCRUNALVZKX-HKUYNNGSSA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324629835 1387707497 /nfs/dbraw/zinc/70/74/97/1387707497.db2.gz TUDRCRUNALVZKX-HKUYNNGSSA-N 2 2 332.492 3.017 10 0 EGAELP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001324752528 1387760294 /nfs/dbraw/zinc/76/02/94/1387760294.db2.gz QSJBRSCYNMZJDS-FQEVSTJZSA-N 2 2 348.535 3.335 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001324813417 1387781944 /nfs/dbraw/zinc/78/19/44/1387781944.db2.gz MHZIKDGRFVZVRJ-FQEVSTJZSA-N 2 2 348.535 3.342 10 0 EGAELP CCCNC(=O)CCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198789986 1369115163 /nfs/dbraw/zinc/11/51/63/1369115163.db2.gz CATSJPBAOFWYFE-INIZCTEOSA-N 2 2 334.508 3.124 10 0 EGAELP CCCNC(=O)CCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198789986 1369115167 /nfs/dbraw/zinc/11/51/67/1369115167.db2.gz CATSJPBAOFWYFE-INIZCTEOSA-N 2 2 334.508 3.124 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001325582808 1388007310 /nfs/dbraw/zinc/00/73/10/1388007310.db2.gz SATLDZIBFXNWQU-PRJTXATQSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901488 1388075739 /nfs/dbraw/zinc/07/57/39/1388075739.db2.gz XAYHTFVXEBIPJQ-PSBWJHGTSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901488 1388075743 /nfs/dbraw/zinc/07/57/43/1388075743.db2.gz XAYHTFVXEBIPJQ-PSBWJHGTSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901488 1388075749 /nfs/dbraw/zinc/07/57/49/1388075749.db2.gz XAYHTFVXEBIPJQ-PSBWJHGTSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901488 1388075754 /nfs/dbraw/zinc/07/57/54/1388075754.db2.gz XAYHTFVXEBIPJQ-PSBWJHGTSA-N 2 2 344.503 3.015 10 0 EGAELP C[N@H+](CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)CC(C)(C)C ZINC001124100437 1372672704 /nfs/dbraw/zinc/67/27/04/1372672704.db2.gz ZMFIDLFTTXBVSE-MRXNPFEDSA-N 2 2 348.535 3.322 10 0 EGAELP C[N@@H+](CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)CC(C)(C)C ZINC001124100437 1372672705 /nfs/dbraw/zinc/67/27/05/1372672705.db2.gz ZMFIDLFTTXBVSE-MRXNPFEDSA-N 2 2 348.535 3.322 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001326525544 1388230207 /nfs/dbraw/zinc/23/02/07/1388230207.db2.gz PJSWZGKPXKZBAX-IYARVYRRSA-N 2 2 346.519 3.157 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223576 1377236232 /nfs/dbraw/zinc/23/62/32/1377236232.db2.gz SMKHSODATQGXQW-YFUKIHRRSA-N 2 2 346.862 3.290 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223576 1377236234 /nfs/dbraw/zinc/23/62/34/1377236234.db2.gz SMKHSODATQGXQW-YFUKIHRRSA-N 2 2 346.862 3.290 10 0 EGAELP CC(C)=CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001267257794 1377434199 /nfs/dbraw/zinc/43/41/99/1377434199.db2.gz VOCQMWZZCUSUAF-UHFFFAOYSA-N 2 2 342.487 3.439 10 0 EGAELP CC(C)=CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001267257794 1377434201 /nfs/dbraw/zinc/43/42/01/1377434201.db2.gz VOCQMWZZCUSUAF-UHFFFAOYSA-N 2 2 342.487 3.439 10 0 EGAELP CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001327467269 1388527678 /nfs/dbraw/zinc/52/76/78/1388527678.db2.gz KWPWQSIBOHSHGV-SFHVURJKSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285860 1378215777 /nfs/dbraw/zinc/21/57/77/1378215777.db2.gz RGDWVKJQZSOIQF-IEBWSBKVSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285860 1378215783 /nfs/dbraw/zinc/21/57/83/1378215783.db2.gz RGDWVKJQZSOIQF-IEBWSBKVSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001278911761 1378290513 /nfs/dbraw/zinc/29/05/13/1378290513.db2.gz DOFBXEBBNQCSCJ-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001278911761 1378290518 /nfs/dbraw/zinc/29/05/18/1378290518.db2.gz DOFBXEBBNQCSCJ-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528539 1388549452 /nfs/dbraw/zinc/54/94/52/1388549452.db2.gz ADUBUOIDFAYQME-XLIONFOSSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528539 1388549454 /nfs/dbraw/zinc/54/94/54/1388549454.db2.gz ADUBUOIDFAYQME-XLIONFOSSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528539 1388549458 /nfs/dbraw/zinc/54/94/58/1388549458.db2.gz ADUBUOIDFAYQME-XLIONFOSSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528539 1388549462 /nfs/dbraw/zinc/54/94/62/1388549462.db2.gz ADUBUOIDFAYQME-XLIONFOSSA-N 2 2 346.519 3.093 10 0 EGAELP FC(F)Oc1ccc(C[NH2+]CCC[NH+]2CCC2)c(OC(F)F)c1 ZINC001327679140 1388577808 /nfs/dbraw/zinc/57/78/08/1388577808.db2.gz DDEAHWFFMUABKT-UHFFFAOYSA-N 2 2 336.329 3.075 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001284103044 1379474946 /nfs/dbraw/zinc/47/49/46/1379474946.db2.gz RMTMPEWZVIBVEQ-FGTMMUONSA-N 2 2 346.519 3.058 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001327882244 1388613875 /nfs/dbraw/zinc/61/38/75/1388613875.db2.gz PWFNAYVTACISKN-YLRDJVGTSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C\CC[N@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001284543884 1379950320 /nfs/dbraw/zinc/95/03/20/1379950320.db2.gz LBSRCGKULKKIBC-SREVYHEPSA-N 2 2 342.487 3.473 10 0 EGAELP CC/C=C\CC[N@@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001284543884 1379950321 /nfs/dbraw/zinc/95/03/21/1379950321.db2.gz LBSRCGKULKKIBC-SREVYHEPSA-N 2 2 342.487 3.473 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001328464539 1388753180 /nfs/dbraw/zinc/75/31/80/1388753180.db2.gz PNUQWOAQJGADKT-DLBZAZTESA-N 2 2 342.487 3.252 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCCCCC[NH2+]C(C)C)ccn12 ZINC001316726485 1384546410 /nfs/dbraw/zinc/54/64/10/1384546410.db2.gz JVTPDCVSCSGKMK-UHFFFAOYSA-N 2 2 330.476 3.273 10 0 EGAELP CCCCC[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001317216511 1384996362 /nfs/dbraw/zinc/99/63/62/1384996362.db2.gz AZRBXVNXGIMRHB-UHFFFAOYSA-N 2 2 334.508 3.134 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001317272527 1385043189 /nfs/dbraw/zinc/04/31/89/1385043189.db2.gz UKFMWXSTBYDXFM-HUUCEWRRSA-N 2 2 348.878 3.091 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317402481 1385116709 /nfs/dbraw/zinc/11/67/09/1385116709.db2.gz XUCYAVUEYIBLLQ-INIZCTEOSA-N 2 2 328.460 3.016 10 0 EGAELP CCCCC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317552323 1385313745 /nfs/dbraw/zinc/31/37/45/1385313745.db2.gz GUGUVKKWHWEHBO-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP CCCCC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317552323 1385313750 /nfs/dbraw/zinc/31/37/50/1385313750.db2.gz GUGUVKKWHWEHBO-UHFFFAOYSA-N 2 2 328.460 3.027 10 0 EGAELP C[C@H](CC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1)n1cc[nH+]c1 ZINC001318656574 1385821052 /nfs/dbraw/zinc/82/10/52/1385821052.db2.gz VQDJVOUBQODGDP-MRXNPFEDSA-N 2 2 346.519 3.289 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001318974764 1385904099 /nfs/dbraw/zinc/90/40/99/1385904099.db2.gz HKWGPJBPKJNYFF-BRWVUGGUSA-N 2 2 334.508 3.287 10 0 EGAELP CC/C=C\CC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319999221 1386444762 /nfs/dbraw/zinc/44/47/62/1386444762.db2.gz CUMREFFAPHVNRI-SREVYHEPSA-N 2 2 328.460 3.003 10 0 EGAELP CC/C=C\CC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319999221 1386444764 /nfs/dbraw/zinc/44/47/64/1386444764.db2.gz CUMREFFAPHVNRI-SREVYHEPSA-N 2 2 328.460 3.003 10 0 EGAELP C[C@@H](CC(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001320055610 1386479150 /nfs/dbraw/zinc/47/91/50/1386479150.db2.gz QXIDOALETBFUFW-ADKAHSJRSA-N 2 2 334.508 3.051 10 0 EGAELP C[C@@H](CC(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001320055610 1386479151 /nfs/dbraw/zinc/47/91/51/1386479151.db2.gz QXIDOALETBFUFW-ADKAHSJRSA-N 2 2 334.508 3.051 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001320150252 1386537089 /nfs/dbraw/zinc/53/70/89/1386537089.db2.gz JCELDNOXWXISIR-MOPGFXCFSA-N 2 2 344.503 3.038 10 0 EGAELP CC[C@@H]([NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001321155405 1386824740 /nfs/dbraw/zinc/82/47/40/1386824740.db2.gz LPUZYVSMKGGHAU-IPLHWJFFSA-N 2 2 348.450 3.361 10 0 EGAELP C[C@@H](CC(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001322715926 1387229438 /nfs/dbraw/zinc/22/94/38/1387229438.db2.gz GMTIKGFIOFZKQA-HOTGVXAUSA-N 2 2 346.450 3.173 10 0 EGAELP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001329231292 1389029418 /nfs/dbraw/zinc/02/94/18/1389029418.db2.gz SBVFMXGFTQOFFQ-OPQOLIRYSA-N 2 2 346.519 3.453 10 0 EGAELP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001329231292 1389029424 /nfs/dbraw/zinc/02/94/24/1389029424.db2.gz SBVFMXGFTQOFFQ-OPQOLIRYSA-N 2 2 346.519 3.453 10 0 EGAELP C[C@H](F)CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001329830183 1389233150 /nfs/dbraw/zinc/23/31/50/1389233150.db2.gz WUXNWBFROKDQPC-HNNXBMFYSA-N 2 2 346.450 3.105 10 0 EGAELP CO[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)C1CCCCC1 ZINC001330411139 1389405568 /nfs/dbraw/zinc/40/55/68/1389405568.db2.gz GMZDIOTWHJKCFL-KRWDZBQOSA-N 2 2 328.416 3.110 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001331575950 1389809227 /nfs/dbraw/zinc/80/92/27/1389809227.db2.gz JOFBHHXRUHOZDB-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CCC1CCCCCC1 ZINC001331617163 1389831407 /nfs/dbraw/zinc/83/14/07/1389831407.db2.gz SWRFJQDIYVPZJQ-INIZCTEOSA-N 2 2 348.535 3.484 10 0 EGAELP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001332731930 1390171539 /nfs/dbraw/zinc/17/15/39/1390171539.db2.gz FIQRYFNYYDYYTJ-SFHVURJKSA-N 2 2 342.487 3.203 10 0 EGAELP CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001332731930 1390171543 /nfs/dbraw/zinc/17/15/43/1390171543.db2.gz FIQRYFNYYDYYTJ-SFHVURJKSA-N 2 2 342.487 3.203 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)c12 ZINC001351988375 1391739613 /nfs/dbraw/zinc/73/96/13/1391739613.db2.gz XSDPWJQJSSCVNN-RTBURBONSA-N 2 2 347.466 3.220 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)c12 ZINC001351988375 1391739614 /nfs/dbraw/zinc/73/96/14/1391739614.db2.gz XSDPWJQJSSCVNN-RTBURBONSA-N 2 2 347.466 3.220 10 0 EGAELP Cc1cn(C(C)(C)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c[nH+]1 ZINC001353636482 1392056225 /nfs/dbraw/zinc/05/62/25/1392056225.db2.gz SMEFFOWNAOKEBO-UHFFFAOYSA-N 2 2 340.471 3.204 10 0 EGAELP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001479447800 1392246583 /nfs/dbraw/zinc/24/65/83/1392246583.db2.gz TXELRRXDDNPFFN-QILLFSRXSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001479748480 1392366284 /nfs/dbraw/zinc/36/62/84/1392366284.db2.gz WMBCGIWJRQRMEM-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001479748480 1392366289 /nfs/dbraw/zinc/36/62/89/1392366289.db2.gz WMBCGIWJRQRMEM-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001479889464 1392460324 /nfs/dbraw/zinc/46/03/24/1392460324.db2.gz BDBJJJMBHXANAD-LJQANCHMSA-N 2 2 348.535 3.439 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480228006 1392627969 /nfs/dbraw/zinc/62/79/69/1392627969.db2.gz NADMAWQTACMXFP-CALCHBBNSA-N 2 2 342.487 3.002 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001480226794 1392628290 /nfs/dbraw/zinc/62/82/90/1392628290.db2.gz XFFUBAJMYGKQGX-RYQLBKOJSA-N 2 2 332.492 3.041 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480319583 1392679509 /nfs/dbraw/zinc/67/95/09/1392679509.db2.gz PZGPZJDEGYZNMG-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480319583 1392679512 /nfs/dbraw/zinc/67/95/12/1392679512.db2.gz PZGPZJDEGYZNMG-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480319583 1392679514 /nfs/dbraw/zinc/67/95/14/1392679514.db2.gz PZGPZJDEGYZNMG-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480319583 1392679515 /nfs/dbraw/zinc/67/95/15/1392679515.db2.gz PZGPZJDEGYZNMG-WCPOWXKZSA-N 2 2 344.503 3.230 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001480919058 1393020178 /nfs/dbraw/zinc/02/01/78/1393020178.db2.gz PWFPCSPCSAOQCO-QZTJIDSGSA-N 2 2 342.487 3.260 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001480919058 1393020181 /nfs/dbraw/zinc/02/01/81/1393020181.db2.gz PWFPCSPCSAOQCO-QZTJIDSGSA-N 2 2 342.487 3.260 10 0 EGAELP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@@H](C)O1 ZINC001490337700 1393176785 /nfs/dbraw/zinc/17/67/85/1393176785.db2.gz KXCWJYMIRVJSPZ-SJLPKXTDSA-N 2 2 347.503 3.016 10 0 EGAELP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@@H](C)O1 ZINC001490337700 1393176787 /nfs/dbraw/zinc/17/67/87/1393176787.db2.gz KXCWJYMIRVJSPZ-SJLPKXTDSA-N 2 2 347.503 3.016 10 0 EGAELP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001698932520 1406670232 /nfs/dbraw/zinc/67/02/32/1406670232.db2.gz CJEPQAWNHPVECA-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)n1cc[nH+]c1 ZINC001490932035 1394377872 /nfs/dbraw/zinc/37/78/72/1394377872.db2.gz KTIFANHTNYEQRS-KBAYOESNSA-N 2 2 344.503 3.041 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491153725 1394452482 /nfs/dbraw/zinc/45/24/82/1394452482.db2.gz NNRAWFKGHRHSFE-SFHVURJKSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491153725 1394452485 /nfs/dbraw/zinc/45/24/85/1394452485.db2.gz NNRAWFKGHRHSFE-SFHVURJKSA-N 2 2 344.503 3.061 10 0 EGAELP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001481867402 1394567142 /nfs/dbraw/zinc/56/71/42/1394567142.db2.gz ADGDQSOLDALGJB-RDJZCZTQSA-N 2 2 342.487 3.123 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482473443 1395028038 /nfs/dbraw/zinc/02/80/38/1395028038.db2.gz RSGVKPLGTBYDGX-SJORKVTESA-N 2 2 340.471 3.131 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482494410 1395046272 /nfs/dbraw/zinc/04/62/72/1395046272.db2.gz XVJAUUVCIVNUGI-WMZOPIPTSA-N 2 2 340.471 3.131 10 0 EGAELP C[C@@H](CC(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1)n1cc[nH+]c1 ZINC001483972155 1395169952 /nfs/dbraw/zinc/16/99/52/1395169952.db2.gz IEFFRIPUHNIBPY-HNNXBMFYSA-N 2 2 346.500 3.067 10 0 EGAELP CCC(CC)C[NH2+]C1CC[NH+](CCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001484419022 1395383459 /nfs/dbraw/zinc/38/34/59/1395383459.db2.gz YZCREQDKNAFZDB-DHZHZOJOSA-N 2 2 337.552 3.195 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570116 1396035068 /nfs/dbraw/zinc/03/50/68/1396035068.db2.gz RNBLUWXPWAVVKV-QWNKOJSDSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485570116 1396035071 /nfs/dbraw/zinc/03/50/71/1396035071.db2.gz RNBLUWXPWAVVKV-QWNKOJSDSA-N 2 2 340.471 3.359 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001502731633 1396222428 /nfs/dbraw/zinc/22/24/28/1396222428.db2.gz RGFJPJWCMDOWQU-BUSQMGNYSA-N 2 2 329.488 3.413 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146419 1396383007 /nfs/dbraw/zinc/38/30/07/1396383007.db2.gz RHFCCNAOOMZAJE-CPRFOPHYSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494146419 1396383010 /nfs/dbraw/zinc/38/30/10/1396383010.db2.gz RHFCCNAOOMZAJE-CPRFOPHYSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146419 1396383016 /nfs/dbraw/zinc/38/30/16/1396383016.db2.gz RHFCCNAOOMZAJE-CPRFOPHYSA-N 2 2 344.503 3.040 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494146419 1396383021 /nfs/dbraw/zinc/38/30/21/1396383021.db2.gz RHFCCNAOOMZAJE-CPRFOPHYSA-N 2 2 344.503 3.040 10 0 EGAELP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498466336 1397016453 /nfs/dbraw/zinc/01/64/53/1397016453.db2.gz SNDLYAYFQGREEJ-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498466336 1397016463 /nfs/dbraw/zinc/01/64/63/1397016463.db2.gz SNDLYAYFQGREEJ-KRWDZBQOSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001689857420 1404171755 /nfs/dbraw/zinc/17/17/55/1404171755.db2.gz SIOMMYKUJGAITJ-JKSUJKDBSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001689857420 1404171759 /nfs/dbraw/zinc/17/17/59/1404171759.db2.gz SIOMMYKUJGAITJ-JKSUJKDBSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390513 1404528201 /nfs/dbraw/zinc/52/82/01/1404528201.db2.gz QIHMTYICXVKSSI-IEBWSBKVSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390513 1404528206 /nfs/dbraw/zinc/52/82/06/1404528206.db2.gz QIHMTYICXVKSSI-IEBWSBKVSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390512 1404528929 /nfs/dbraw/zinc/52/89/29/1404528929.db2.gz QIHMTYICXVKSSI-HKUYNNGSSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390512 1404528937 /nfs/dbraw/zinc/52/89/37/1404528937.db2.gz QIHMTYICXVKSSI-HKUYNNGSSA-N 2 2 344.503 3.163 10 0 EGAELP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001690588996 1404642221 /nfs/dbraw/zinc/64/22/21/1404642221.db2.gz JPYQBIRZEOCGKB-HKUYNNGSSA-N 2 2 342.487 3.073 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)n1cc[nH+]c1 ZINC001691150485 1405083927 /nfs/dbraw/zinc/08/39/27/1405083927.db2.gz OBWHAMGLQFIGBO-LKIAZTKLSA-N 2 2 346.519 3.001 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[C@@H]([NH2+]CCC(C)C)C3)ccn12 ZINC001691586027 1405347109 /nfs/dbraw/zinc/34/71/09/1405347109.db2.gz OTRTXEJJECUHHH-FUHWJXTLSA-N 2 2 342.487 3.177 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCCCF ZINC001691988370 1405700342 /nfs/dbraw/zinc/70/03/42/1405700342.db2.gz JCFDNFJSNJYESD-FUHWJXTLSA-N 2 2 346.450 3.285 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCCCF ZINC001691988370 1405700348 /nfs/dbraw/zinc/70/03/48/1405700348.db2.gz JCFDNFJSNJYESD-FUHWJXTLSA-N 2 2 346.450 3.285 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282442 1405918088 /nfs/dbraw/zinc/91/80/88/1405918088.db2.gz AJMAMIHXPNXDII-MJRGOJFPSA-N 2 2 346.519 3.236 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001692282442 1405918090 /nfs/dbraw/zinc/91/80/90/1405918090.db2.gz AJMAMIHXPNXDII-MJRGOJFPSA-N 2 2 346.519 3.236 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H](C)F ZINC001732009235 1428223575 /nfs/dbraw/zinc/22/35/75/1428223575.db2.gz KVMZRTSZNGCNFV-AWEZNQCLSA-N 2 2 334.439 3.141 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H](C)F ZINC001732009235 1428223578 /nfs/dbraw/zinc/22/35/78/1428223578.db2.gz KVMZRTSZNGCNFV-AWEZNQCLSA-N 2 2 334.439 3.141 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(C)(C)C ZINC001732011078 1428225439 /nfs/dbraw/zinc/22/54/39/1428225439.db2.gz RVHIZWPRFFQAHL-QGZVFWFLSA-N 2 2 348.535 3.098 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(C)(C)C ZINC001732011078 1428225442 /nfs/dbraw/zinc/22/54/42/1428225442.db2.gz RVHIZWPRFFQAHL-QGZVFWFLSA-N 2 2 348.535 3.098 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698587327 1406205681 /nfs/dbraw/zinc/20/56/81/1406205681.db2.gz VNQYRCYCHUPFFY-HKUYNNGSSA-N 2 2 346.519 3.337 10 0 EGAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698587327 1406205682 /nfs/dbraw/zinc/20/56/82/1406205682.db2.gz VNQYRCYCHUPFFY-HKUYNNGSSA-N 2 2 346.519 3.337 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)C)ccn12 ZINC001732344483 1428542436 /nfs/dbraw/zinc/54/24/36/1428542436.db2.gz XGZBSUIAQNWICB-HNNXBMFYSA-N 2 2 330.476 3.034 10 0 EGAELP CC[C@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001732393290 1428561847 /nfs/dbraw/zinc/56/18/47/1428561847.db2.gz KIOMIWWDBPWLAP-HNNXBMFYSA-N 2 2 328.460 3.013 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001732431802 1428578330 /nfs/dbraw/zinc/57/83/30/1428578330.db2.gz XTXGUGXMFLKRKU-CRAIPNDOSA-N 2 2 348.450 3.072 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]CC2CCCC2)CC(C)C)c[nH+]1 ZINC001732464519 1428595099 /nfs/dbraw/zinc/59/50/99/1428595099.db2.gz NLPQYTBRTKHDQV-GOSISDBHSA-N 2 2 348.535 3.237 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001732465688 1428596027 /nfs/dbraw/zinc/59/60/27/1428596027.db2.gz DSUOGOWVXARRDC-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001699679046 1413074079 /nfs/dbraw/zinc/07/40/79/1413074079.db2.gz WKFUXJQFTGQWAF-AYHJJNSGSA-N 2 2 346.519 3.045 10 0 EGAELP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001699695356 1413104720 /nfs/dbraw/zinc/10/47/20/1413104720.db2.gz NKPNQGIMPCGNRO-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001699695356 1413104725 /nfs/dbraw/zinc/10/47/25/1413104725.db2.gz NKPNQGIMPCGNRO-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001699695356 1413104729 /nfs/dbraw/zinc/10/47/29/1413104729.db2.gz NKPNQGIMPCGNRO-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001699695356 1413104732 /nfs/dbraw/zinc/10/47/32/1413104732.db2.gz NKPNQGIMPCGNRO-HLIPFELVSA-N 2 2 344.503 3.018 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001699805752 1413220212 /nfs/dbraw/zinc/22/02/12/1413220212.db2.gz YLINJWIRUCBKBY-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001699805752 1413220216 /nfs/dbraw/zinc/22/02/16/1413220216.db2.gz YLINJWIRUCBKBY-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001699805752 1413220220 /nfs/dbraw/zinc/22/02/20/1413220220.db2.gz YLINJWIRUCBKBY-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001699805752 1413220223 /nfs/dbraw/zinc/22/02/23/1413220223.db2.gz YLINJWIRUCBKBY-FQEVSTJZSA-N 2 2 346.519 3.237 10 0 EGAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCC2=CCCCC2)C1 ZINC001699878001 1413340420 /nfs/dbraw/zinc/34/04/20/1413340420.db2.gz KFGYBLAGTVFVPS-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001699878001 1413340424 /nfs/dbraw/zinc/34/04/24/1413340424.db2.gz KFGYBLAGTVFVPS-HXUWFJFHSA-N 2 2 344.503 3.061 10 0 EGAELP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001699977799 1413421784 /nfs/dbraw/zinc/42/17/84/1413421784.db2.gz LEDXLOKMKPGDQA-MTHXSQLBSA-N 2 2 346.519 3.240 10 0 EGAELP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001699977799 1413421785 /nfs/dbraw/zinc/42/17/85/1413421785.db2.gz LEDXLOKMKPGDQA-MTHXSQLBSA-N 2 2 346.519 3.240 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700018400 1413465127 /nfs/dbraw/zinc/46/51/27/1413465127.db2.gz YLKRNDVGBNOXLQ-SJORKVTESA-N 2 2 346.519 3.189 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001700018400 1413465132 /nfs/dbraw/zinc/46/51/32/1413465132.db2.gz YLKRNDVGBNOXLQ-SJORKVTESA-N 2 2 346.519 3.189 10 0 EGAELP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001700101920 1413519508 /nfs/dbraw/zinc/51/95/08/1413519508.db2.gz XHTNMEPQMQSZJD-IIAWOOMASA-N 2 2 346.450 3.189 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001700179518 1413590420 /nfs/dbraw/zinc/59/04/20/1413590420.db2.gz RDHOUQGXOFZKAS-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001700179518 1413590423 /nfs/dbraw/zinc/59/04/23/1413590423.db2.gz RDHOUQGXOFZKAS-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001700179518 1413590425 /nfs/dbraw/zinc/59/04/25/1413590425.db2.gz RDHOUQGXOFZKAS-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001700179518 1413590428 /nfs/dbraw/zinc/59/04/28/1413590428.db2.gz RDHOUQGXOFZKAS-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001700179987 1413591419 /nfs/dbraw/zinc/59/14/19/1413591419.db2.gz VXHSHSNIPYAZIF-MOPGFXCFSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001700179987 1413591421 /nfs/dbraw/zinc/59/14/21/1413591421.db2.gz VXHSHSNIPYAZIF-MOPGFXCFSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198031 1413640235 /nfs/dbraw/zinc/64/02/35/1413640235.db2.gz PFWPOQBPWJUGLF-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198031 1413640239 /nfs/dbraw/zinc/64/02/39/1413640239.db2.gz PFWPOQBPWJUGLF-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001700280939 1413726338 /nfs/dbraw/zinc/72/63/38/1413726338.db2.gz DCZXZIZCFFLHCL-AATRIKPKSA-N 2 2 332.492 3.059 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001700280939 1413726332 /nfs/dbraw/zinc/72/63/32/1413726332.db2.gz DCZXZIZCFFLHCL-AATRIKPKSA-N 2 2 332.492 3.059 10 0 EGAELP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700408805 1413948393 /nfs/dbraw/zinc/94/83/93/1413948393.db2.gz MTGCMBLSROXJAY-CJWPDFJNSA-N 2 2 348.450 3.144 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700641036 1414306921 /nfs/dbraw/zinc/30/69/21/1414306921.db2.gz KEXSMQNRQDQILI-KBAYOESNSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700641036 1414306926 /nfs/dbraw/zinc/30/69/26/1414306926.db2.gz KEXSMQNRQDQILI-KBAYOESNSA-N 2 2 346.519 3.043 10 0 EGAELP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001700694804 1414349964 /nfs/dbraw/zinc/34/99/64/1414349964.db2.gz LQAWHPAFZPPWCG-VOTSOKGWSA-N 2 2 346.519 3.022 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001700694804 1414349975 /nfs/dbraw/zinc/34/99/75/1414349975.db2.gz LQAWHPAFZPPWCG-VOTSOKGWSA-N 2 2 346.519 3.022 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001700820011 1414476243 /nfs/dbraw/zinc/47/62/43/1414476243.db2.gz WVDGIDAHAWEVHP-ZBFHGGJFSA-N 2 2 328.460 3.336 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001700838298 1414488546 /nfs/dbraw/zinc/48/85/46/1414488546.db2.gz SWTDBSKQWTXRLP-CPHMMYSSSA-N 2 2 340.471 3.192 10 0 EGAELP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001701060296 1414716898 /nfs/dbraw/zinc/71/68/98/1414716898.db2.gz QEQWYGLOXKGONI-QGZVFWFLSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001701060296 1414716901 /nfs/dbraw/zinc/71/69/01/1414716901.db2.gz QEQWYGLOXKGONI-QGZVFWFLSA-N 2 2 332.492 3.019 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001732714300 1428922807 /nfs/dbraw/zinc/92/28/07/1428922807.db2.gz CTLPJOPZUXHLCL-AWEZNQCLSA-N 2 2 343.446 3.444 10 0 EGAELP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001732807627 1428985752 /nfs/dbraw/zinc/98/57/52/1428985752.db2.gz PXZGEKAWFPFCAR-MRXNPFEDSA-N 2 2 342.487 3.195 10 0 EGAELP Cc1cc(C)cc(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001732870012 1429020921 /nfs/dbraw/zinc/02/09/21/1429020921.db2.gz VRHCFYLFOJCRTA-ARJAWSKDSA-N 2 2 348.450 3.256 10 0 EGAELP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001707069281 1417182161 /nfs/dbraw/zinc/18/21/61/1417182161.db2.gz UWRFHDCHNFDCRZ-MAEOIBBWSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CC[NH2+]CC1CC1 ZINC001707140811 1417219468 /nfs/dbraw/zinc/21/94/68/1417219468.db2.gz ZBVOTKRZRYVJSP-AUUYWEPGSA-N 2 2 340.471 3.193 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001707147448 1417222325 /nfs/dbraw/zinc/22/23/25/1417222325.db2.gz ZABOYKCKDCVJDD-VQIMIIECSA-N 2 2 348.535 3.006 10 0 EGAELP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001707175074 1417229231 /nfs/dbraw/zinc/22/92/31/1417229231.db2.gz PVDJMZQUGSTLQA-CRAIPNDOSA-N 2 2 342.487 3.273 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001707237918 1417258721 /nfs/dbraw/zinc/25/87/21/1417258721.db2.gz JUUXAKYVTRSTLG-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001707237918 1417258722 /nfs/dbraw/zinc/25/87/22/1417258722.db2.gz JUUXAKYVTRSTLG-DLBZAZTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001707239077 1417259389 /nfs/dbraw/zinc/25/93/89/1417259389.db2.gz BFPZERTYMSRUJD-SFHVURJKSA-N 2 2 334.508 3.214 10 0 EGAELP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042410 1429171988 /nfs/dbraw/zinc/17/19/88/1429171988.db2.gz IRYPLURVPMODJF-QAPCUYQASA-N 2 2 348.450 3.072 10 0 EGAELP C[C@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042410 1429171992 /nfs/dbraw/zinc/17/19/92/1429171992.db2.gz IRYPLURVPMODJF-QAPCUYQASA-N 2 2 348.450 3.072 10 0 EGAELP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279782 1417288299 /nfs/dbraw/zinc/28/82/99/1417288299.db2.gz GMVPHSPRXDMUKC-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279782 1417288302 /nfs/dbraw/zinc/28/83/02/1417288302.db2.gz GMVPHSPRXDMUKC-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001712985820 1417538225 /nfs/dbraw/zinc/53/82/25/1417538225.db2.gz JYSVJUXHHNCYAX-QGZVFWFLSA-N 2 2 342.487 3.077 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001712985820 1417538228 /nfs/dbraw/zinc/53/82/28/1417538228.db2.gz JYSVJUXHHNCYAX-QGZVFWFLSA-N 2 2 342.487 3.077 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001713060805 1417615788 /nfs/dbraw/zinc/61/57/88/1417615788.db2.gz NTUUOSGKUMSRJX-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001713060805 1417615790 /nfs/dbraw/zinc/61/57/90/1417615790.db2.gz NTUUOSGKUMSRJX-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP CC/C=C/CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001713107719 1417668016 /nfs/dbraw/zinc/66/80/16/1417668016.db2.gz DLIHPHJVDZUKRE-SHCNBLLESA-N 2 2 340.471 3.097 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@@H+](CCC(C)C)C2)c(C)[nH+]1 ZINC001713732670 1418521320 /nfs/dbraw/zinc/52/13/20/1418521320.db2.gz MAMLHRYEXURLTO-GOSISDBHSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@H+](CCC(C)C)C2)c(C)[nH+]1 ZINC001713732670 1418521325 /nfs/dbraw/zinc/52/13/25/1418521325.db2.gz MAMLHRYEXURLTO-GOSISDBHSA-N 2 2 331.504 3.495 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001714245945 1419032451 /nfs/dbraw/zinc/03/24/51/1419032451.db2.gz UZINEXVTFBXUNC-HKUYNNGSSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001714263271 1419045338 /nfs/dbraw/zinc/04/53/38/1419045338.db2.gz PERNOBYVPIQPQD-QGZVFWFLSA-N 2 2 348.535 3.305 10 0 EGAELP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001714268194 1419049666 /nfs/dbraw/zinc/04/96/66/1419049666.db2.gz LTDQGQUCPBSHBL-QZTJIDSGSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001714268194 1419049669 /nfs/dbraw/zinc/04/96/69/1419049669.db2.gz LTDQGQUCPBSHBL-QZTJIDSGSA-N 2 2 346.519 3.168 10 0 EGAELP CCC[NH2+]CCC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714268707 1419050121 /nfs/dbraw/zinc/05/01/21/1419050121.db2.gz VDVLYYYRKYYBJV-SFHVURJKSA-N 2 2 334.508 3.099 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001714317256 1419095696 /nfs/dbraw/zinc/09/56/96/1419095696.db2.gz VFWSYMYIAFIAKS-WGSAOQKQSA-N 2 2 344.503 3.181 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001714359486 1419121753 /nfs/dbraw/zinc/12/17/53/1419121753.db2.gz ULWZOHMZCLPYSK-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402263 1419145094 /nfs/dbraw/zinc/14/50/94/1419145094.db2.gz VCSUCRZOTZHRFK-ROUUACIJSA-N 2 2 344.503 3.250 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001714402263 1419145096 /nfs/dbraw/zinc/14/50/96/1419145096.db2.gz VCSUCRZOTZHRFK-ROUUACIJSA-N 2 2 344.503 3.250 10 0 EGAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCCC(C)(C)C ZINC001714414139 1419152169 /nfs/dbraw/zinc/15/21/69/1419152169.db2.gz JUNJBOCUKKDCTC-HNNXBMFYSA-N 2 2 330.476 3.116 10 0 EGAELP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001714457940 1419190509 /nfs/dbraw/zinc/19/05/09/1419190509.db2.gz ZPAMEVPQKQUNSM-YOEHRIQHSA-N 2 2 348.878 3.030 10 0 EGAELP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714810124 1419520951 /nfs/dbraw/zinc/52/09/51/1419520951.db2.gz DBQBMOJBLPRXMO-DOTOQJQBSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001714835516 1419547477 /nfs/dbraw/zinc/54/74/77/1419547477.db2.gz ZCNGQVJPKDPTSX-HNNXBMFYSA-N 2 2 334.508 3.058 10 0 EGAELP CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715304003 1420012191 /nfs/dbraw/zinc/01/21/91/1420012191.db2.gz AUXWPJMPMYJRLJ-CVEARBPZSA-N 2 2 342.487 3.439 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001715342452 1420044695 /nfs/dbraw/zinc/04/46/95/1420044695.db2.gz WYRZAWCIYAETSL-FUHWJXTLSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001715448784 1420132741 /nfs/dbraw/zinc/13/27/41/1420132741.db2.gz WOTHHGATYHWSAM-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715662802 1420284309 /nfs/dbraw/zinc/28/43/09/1420284309.db2.gz SHGXNBURZQIAKJ-AWEZNQCLSA-N 2 2 340.471 3.241 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001716062303 1420522192 /nfs/dbraw/zinc/52/21/92/1420522192.db2.gz FDYWNENCZAWTKY-SJORKVTESA-N 2 2 348.535 3.237 10 0 EGAELP CCN(CC[NH2+]C[C@@H](C)CC(C)C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001716217000 1420569837 /nfs/dbraw/zinc/56/98/37/1420569837.db2.gz IZBTUPNVYRMOMU-INIZCTEOSA-N 2 2 344.503 3.377 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716514973 1420745014 /nfs/dbraw/zinc/74/50/14/1420745014.db2.gz QHSRYFKGJIPQNP-NVXWUHKLSA-N 2 2 340.471 3.407 10 0 EGAELP CC[C@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001716575210 1420765407 /nfs/dbraw/zinc/76/54/07/1420765407.db2.gz JLECTYALBFCCKY-INIZCTEOSA-N 2 2 348.878 3.195 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC(C)C)C[C@H]3C)ccn12 ZINC001716760665 1420908195 /nfs/dbraw/zinc/90/81/95/1420908195.db2.gz BEGOVORQNMYSKE-QAPCUYQASA-N 2 2 342.487 3.272 10 0 EGAELP CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](CCCCCF)CC1 ZINC001716795971 1420928891 /nfs/dbraw/zinc/92/88/91/1420928891.db2.gz JVUHNYTTYNTMLM-UHFFFAOYSA-N 2 2 346.450 3.287 10 0 EGAELP CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001716885336 1421009044 /nfs/dbraw/zinc/00/90/44/1421009044.db2.gz MNHWXLNYSARGJZ-IAGOWNOFSA-N 2 2 346.519 3.312 10 0 EGAELP CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001716885336 1421009047 /nfs/dbraw/zinc/00/90/47/1421009047.db2.gz MNHWXLNYSARGJZ-IAGOWNOFSA-N 2 2 346.519 3.312 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717001494 1421071439 /nfs/dbraw/zinc/07/14/39/1421071439.db2.gz CQRLUNYDASIHMT-NNPSNHGLSA-N 2 2 346.519 3.072 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717001494 1421071440 /nfs/dbraw/zinc/07/14/40/1421071440.db2.gz CQRLUNYDASIHMT-NNPSNHGLSA-N 2 2 346.519 3.072 10 0 EGAELP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001717129335 1421130668 /nfs/dbraw/zinc/13/06/68/1421130668.db2.gz GSAFTKBZDLYXTB-GOSISDBHSA-N 2 2 346.519 3.195 10 0 EGAELP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717475523 1421409298 /nfs/dbraw/zinc/40/92/98/1421409298.db2.gz BISIVHVKEQHQKE-INIZCTEOSA-N 2 2 342.487 3.102 10 0 EGAELP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717475523 1421409300 /nfs/dbraw/zinc/40/93/00/1421409300.db2.gz BISIVHVKEQHQKE-INIZCTEOSA-N 2 2 342.487 3.102 10 0 EGAELP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717475523 1421409302 /nfs/dbraw/zinc/40/93/02/1421409302.db2.gz BISIVHVKEQHQKE-INIZCTEOSA-N 2 2 342.487 3.102 10 0 EGAELP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717475523 1421409304 /nfs/dbraw/zinc/40/93/04/1421409304.db2.gz BISIVHVKEQHQKE-INIZCTEOSA-N 2 2 342.487 3.102 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CCC1=CCCCC1 ZINC001717479865 1421414688 /nfs/dbraw/zinc/41/46/88/1421414688.db2.gz FDQJXHLPIJQDBE-INIZCTEOSA-N 2 2 340.471 3.275 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CCC1=CCCCC1 ZINC001717479865 1421414690 /nfs/dbraw/zinc/41/46/90/1421414690.db2.gz FDQJXHLPIJQDBE-INIZCTEOSA-N 2 2 340.471 3.275 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001717537248 1421475227 /nfs/dbraw/zinc/47/52/27/1421475227.db2.gz APMBJKOUBVFGEV-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001717537248 1421475228 /nfs/dbraw/zinc/47/52/28/1421475228.db2.gz APMBJKOUBVFGEV-OALUTQOASA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1)n1cc[nH+]c1 ZINC001717643349 1421547041 /nfs/dbraw/zinc/54/70/41/1421547041.db2.gz XFFHAGSXWDKJLE-LKIAZTKLSA-N 2 2 346.519 3.001 10 0 EGAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001717994247 1421762861 /nfs/dbraw/zinc/76/28/61/1421762861.db2.gz XNKNJARYHMBPEB-UHFFFAOYSA-N 2 2 328.460 3.192 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733360975 1429545207 /nfs/dbraw/zinc/54/52/07/1429545207.db2.gz HQFLAUGVGWXZKV-KEGWNNHHSA-N 2 2 332.492 3.161 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733424377 1429632206 /nfs/dbraw/zinc/63/22/06/1429632206.db2.gz CHVYDCJWVCXDMB-MGPUTAFESA-N 2 2 342.487 3.131 10 0 EGAELP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1)c1cccc2[nH+]ccn21 ZINC001722942070 1424269448 /nfs/dbraw/zinc/26/94/48/1424269448.db2.gz LQPBWAUPGAJQKL-DLBZAZTESA-N 2 2 340.471 3.013 10 0 EGAELP CCc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]C(C)C ZINC001733518720 1429728389 /nfs/dbraw/zinc/72/83/89/1429728389.db2.gz PZMWMNUGVGVYCP-DNVCBOLYSA-N 2 2 342.487 3.006 10 0 EGAELP CCc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]C(C)C ZINC001733518720 1429728390 /nfs/dbraw/zinc/72/83/90/1429728390.db2.gz PZMWMNUGVGVYCP-DNVCBOLYSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001723825252 1424577634 /nfs/dbraw/zinc/57/76/34/1424577634.db2.gz FRJNKRVWOUJULK-YLJYHZDGSA-N 2 2 345.531 3.114 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001724301061 1424784526 /nfs/dbraw/zinc/78/45/26/1424784526.db2.gz OVFLCCVUIDYRCU-XFHJGTJQSA-N 2 2 346.519 3.409 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001724760563 1425131553 /nfs/dbraw/zinc/13/15/53/1425131553.db2.gz URQGQVATOZGXOO-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CCC1([NH2+]CCC(C)C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001724891283 1425279051 /nfs/dbraw/zinc/27/90/51/1425279051.db2.gz OJTZUCXWFNVQQP-UHFFFAOYSA-N 2 2 334.508 3.070 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725094607 1425538537 /nfs/dbraw/zinc/53/85/37/1425538537.db2.gz LSAIMJQXMAFHAQ-WLBISTCBSA-N 2 2 328.460 3.406 10 0 EGAELP CC(C)[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCC1 ZINC001725443744 1426105218 /nfs/dbraw/zinc/10/52/18/1426105218.db2.gz DFUDDLUWRPIWKX-QGZVFWFLSA-N 2 2 342.487 3.487 10 0 EGAELP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001725514328 1426204124 /nfs/dbraw/zinc/20/41/24/1426204124.db2.gz ITNNVLPJAXIWJQ-DOTOQJQBSA-N 2 2 342.487 3.275 10 0 EGAELP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725768257 1426451052 /nfs/dbraw/zinc/45/10/52/1426451052.db2.gz YQQCFMULTHUQBO-PKOBYXMFSA-N 2 2 348.535 3.487 10 0 EGAELP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001731376086 1427309352 /nfs/dbraw/zinc/30/93/52/1427309352.db2.gz ATZSCMXTMIGFEH-PYTPGESOSA-N 2 2 344.503 3.059 10 0 EGAELP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001731376086 1427309357 /nfs/dbraw/zinc/30/93/57/1427309357.db2.gz ATZSCMXTMIGFEH-PYTPGESOSA-N 2 2 344.503 3.059 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535199 1427530253 /nfs/dbraw/zinc/53/02/53/1427530253.db2.gz BGDXJLWNSZSPJY-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535199 1427530257 /nfs/dbraw/zinc/53/02/57/1427530257.db2.gz BGDXJLWNSZSPJY-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1)n1cc[nH+]c1 ZINC001731624800 1427674743 /nfs/dbraw/zinc/67/47/43/1427674743.db2.gz WDDAZNILGUTRQT-DLBZAZTESA-N 2 2 334.508 3.289 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661385 1427713571 /nfs/dbraw/zinc/71/35/71/1427713571.db2.gz AXPLJISEOJWJOB-MRXNPFEDSA-N 2 2 340.471 3.195 10 0 EGAELP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC001731736129 1427817089 /nfs/dbraw/zinc/81/70/89/1427817089.db2.gz PTSKHTOCZONFMM-HUUCEWRRSA-N 2 2 348.878 3.172 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733864029 1437692347 /nfs/dbraw/zinc/69/23/47/1437692347.db2.gz JVVBJGVGFDNARZ-HZPDHXFCSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733864029 1437692350 /nfs/dbraw/zinc/69/23/50/1437692350.db2.gz JVVBJGVGFDNARZ-HZPDHXFCSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001733895423 1437712921 /nfs/dbraw/zinc/71/29/21/1437712921.db2.gz UPRWVSVUJZXVAL-MAUKXSAKSA-N 2 2 342.487 3.416 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001733895423 1437712923 /nfs/dbraw/zinc/71/29/23/1437712923.db2.gz UPRWVSVUJZXVAL-MAUKXSAKSA-N 2 2 342.487 3.416 10 0 EGAELP CCCC[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001734010701 1437802290 /nfs/dbraw/zinc/80/22/90/1437802290.db2.gz MUNCJEFISIWISP-UHFFFAOYSA-N 2 2 328.460 3.336 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001734060468 1437854080 /nfs/dbraw/zinc/85/40/80/1437854080.db2.gz URRIQRWEJLGHJG-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001734060468 1437854082 /nfs/dbraw/zinc/85/40/82/1437854082.db2.gz URRIQRWEJLGHJG-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCCCF)C[C@H]32)c(C)[nH+]1 ZINC001734163275 1437924753 /nfs/dbraw/zinc/92/47/53/1437924753.db2.gz FJUBITSWLJKAFN-NNZMDNLPSA-N 2 2 347.478 3.054 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCCCF)C[C@H]32)c(C)[nH+]1 ZINC001734163275 1437924756 /nfs/dbraw/zinc/92/47/56/1437924756.db2.gz FJUBITSWLJKAFN-NNZMDNLPSA-N 2 2 347.478 3.054 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001734596189 1438180932 /nfs/dbraw/zinc/18/09/32/1438180932.db2.gz IDSXQPGIRHLCJY-ACBHZAAOSA-N 2 2 346.519 3.240 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001734634108 1438195006 /nfs/dbraw/zinc/19/50/06/1438195006.db2.gz OMGWEEXAFFDXRA-MRXNPFEDSA-N 2 2 332.492 3.019 10 0 EGAELP C[C@H](CC(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001734634108 1438195008 /nfs/dbraw/zinc/19/50/08/1438195008.db2.gz OMGWEEXAFFDXRA-MRXNPFEDSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944593 1440117669 /nfs/dbraw/zinc/11/76/69/1440117669.db2.gz MOBUAZOAKLVSGB-IRXDYDNUSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001750944593 1440117670 /nfs/dbraw/zinc/11/76/70/1440117670.db2.gz MOBUAZOAKLVSGB-IRXDYDNUSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368091486 168309886 /nfs/dbraw/zinc/30/98/86/168309886.db2.gz WMFZRSPKHKEDEX-ZDUSSCGKSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368091486 168309889 /nfs/dbraw/zinc/30/98/89/168309889.db2.gz WMFZRSPKHKEDEX-ZDUSSCGKSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098603 168310868 /nfs/dbraw/zinc/31/08/68/168310868.db2.gz CANIYRKTCLTEDU-BXUZGUMPSA-N 2 2 339.468 3.445 10 0 EGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098603 168310870 /nfs/dbraw/zinc/31/08/70/168310870.db2.gz CANIYRKTCLTEDU-BXUZGUMPSA-N 2 2 339.468 3.445 10 0 EGAELP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000368560869 168372650 /nfs/dbraw/zinc/37/26/50/168372650.db2.gz HUBQCJNAAAKABE-KRWDZBQOSA-N 2 2 341.430 3.475 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000178284956 232125834 /nfs/dbraw/zinc/12/58/34/232125834.db2.gz PKSKCUCMNSYBRJ-MRXNPFEDSA-N 2 2 339.468 3.375 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000178284956 232125837 /nfs/dbraw/zinc/12/58/37/232125837.db2.gz PKSKCUCMNSYBRJ-MRXNPFEDSA-N 2 2 339.468 3.375 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178334135 232139001 /nfs/dbraw/zinc/13/90/01/232139001.db2.gz BMURMSCIPYELES-KRWDZBQOSA-N 2 2 329.444 3.134 10 0 EGAELP COc1ccc(OCCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178334135 232139005 /nfs/dbraw/zinc/13/90/05/232139005.db2.gz BMURMSCIPYELES-KRWDZBQOSA-N 2 2 329.444 3.134 10 0 EGAELP C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)[N@H+](C)CC1CCOCC1 ZINC000104199650 219359432 /nfs/dbraw/zinc/35/94/32/219359432.db2.gz JIAFYDNPBMPFBA-HZMBPMFUSA-N 2 2 347.322 3.257 10 0 EGAELP C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)[N@@H+](C)CC1CCOCC1 ZINC000104199650 219359436 /nfs/dbraw/zinc/35/94/36/219359436.db2.gz JIAFYDNPBMPFBA-HZMBPMFUSA-N 2 2 347.322 3.257 10 0 EGAELP c1cn(-c2ccccc2)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000191304827 239029244 /nfs/dbraw/zinc/02/92/44/239029244.db2.gz QUAQDZNPSZACJC-QGZVFWFLSA-N 2 2 333.439 3.201 10 0 EGAELP c1cn(-c2ccccc2)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000191304827 239029250 /nfs/dbraw/zinc/02/92/50/239029250.db2.gz QUAQDZNPSZACJC-QGZVFWFLSA-N 2 2 333.439 3.201 10 0 EGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000246963603 243343834 /nfs/dbraw/zinc/34/38/34/243343834.db2.gz OHISJJLOEOQMQZ-PMACEKPBSA-N 2 2 328.500 3.385 10 0 EGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000246963603 243343841 /nfs/dbraw/zinc/34/38/41/243343841.db2.gz OHISJJLOEOQMQZ-PMACEKPBSA-N 2 2 328.500 3.385 10 0 EGAELP CCOCc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1OC ZINC000376491418 168913252 /nfs/dbraw/zinc/91/32/52/168913252.db2.gz KXQUYDXEEBSXHY-UHFFFAOYSA-N 2 2 329.444 3.334 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1OCc1ccccn1)C2 ZINC000377722614 169068718 /nfs/dbraw/zinc/06/87/18/169068718.db2.gz MGPYWYFXFZYHSA-INIZCTEOSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000377722614 169068720 /nfs/dbraw/zinc/06/87/20/169068720.db2.gz MGPYWYFXFZYHSA-INIZCTEOSA-N 2 2 334.423 3.031 10 0 EGAELP Cn1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2cccs2)n1 ZINC000378439313 169121109 /nfs/dbraw/zinc/12/11/09/169121109.db2.gz OMAFKKWFGDCQLA-UHFFFAOYSA-N 2 2 327.457 3.251 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1OC ZINC000092812620 218170500 /nfs/dbraw/zinc/17/05/00/218170500.db2.gz SLZJQWXLYCAGJN-QGZVFWFLSA-N 2 2 341.455 3.423 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1OC ZINC000092812620 218170503 /nfs/dbraw/zinc/17/05/03/218170503.db2.gz SLZJQWXLYCAGJN-QGZVFWFLSA-N 2 2 341.455 3.423 10 0 EGAELP COC1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373490216 284763522 /nfs/dbraw/zinc/76/35/22/284763522.db2.gz PCQBXJSIJYKAQI-UHFFFAOYSA-N 2 2 334.426 3.339 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@@H+]1Cc1ccccc1 ZINC000095419487 218359307 /nfs/dbraw/zinc/35/93/07/218359307.db2.gz IJOAVGIIMHUCIW-APWZRJJASA-N 2 2 338.451 3.210 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[N@H+]1Cc1ccccc1 ZINC000095419487 218359309 /nfs/dbraw/zinc/35/93/09/218359309.db2.gz IJOAVGIIMHUCIW-APWZRJJASA-N 2 2 338.451 3.210 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000163333751 285039514 /nfs/dbraw/zinc/03/95/14/285039514.db2.gz KUUXGGCTTIXORO-YDHLFZDLSA-N 2 2 326.531 3.374 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000163333751 285039515 /nfs/dbraw/zinc/03/95/15/285039515.db2.gz KUUXGGCTTIXORO-YDHLFZDLSA-N 2 2 326.531 3.374 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCO1 ZINC000328644546 258023045 /nfs/dbraw/zinc/02/30/45/258023045.db2.gz RUPPMRLOLIPHEA-SJQFEJMWSA-N 2 2 331.382 3.351 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccc3)[C@@H](C)C2)s1 ZINC000328587898 258045485 /nfs/dbraw/zinc/04/54/85/258045485.db2.gz IKCHMIHMERJZCH-KXBFYZLASA-N 2 2 329.513 3.494 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCc3ccccc3)[C@@H](C)C2)s1 ZINC000328587898 258045486 /nfs/dbraw/zinc/04/54/86/258045486.db2.gz IKCHMIHMERJZCH-KXBFYZLASA-N 2 2 329.513 3.494 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000246877709 141040876 /nfs/dbraw/zinc/04/08/76/141040876.db2.gz CXJMTFKPQMPZLJ-OWCLPIDISA-N 2 2 347.528 3.489 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000246877709 141040878 /nfs/dbraw/zinc/04/08/78/141040878.db2.gz CXJMTFKPQMPZLJ-OWCLPIDISA-N 2 2 347.528 3.489 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CN1C(C)=O ZINC000346190234 141176771 /nfs/dbraw/zinc/17/67/71/141176771.db2.gz AVGYIIUATQJWJT-JKSUJKDBSA-N 2 2 346.500 3.155 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CN1C(C)=O ZINC000346190234 141176774 /nfs/dbraw/zinc/17/67/74/141176774.db2.gz AVGYIIUATQJWJT-JKSUJKDBSA-N 2 2 346.500 3.155 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353463421 141302426 /nfs/dbraw/zinc/30/24/26/141302426.db2.gz RMCNZSDPOLYGHS-MXEMCNAFSA-N 2 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353463421 141302428 /nfs/dbraw/zinc/30/24/28/141302428.db2.gz RMCNZSDPOLYGHS-MXEMCNAFSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353463421 141302429 /nfs/dbraw/zinc/30/24/29/141302429.db2.gz RMCNZSDPOLYGHS-MXEMCNAFSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353463421 141302431 /nfs/dbraw/zinc/30/24/31/141302431.db2.gz RMCNZSDPOLYGHS-MXEMCNAFSA-N 2 2 327.516 3.113 10 0 EGAELP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000186902837 144146273 /nfs/dbraw/zinc/14/62/73/144146273.db2.gz PDLZUYHKYVTSCX-UHFFFAOYSA-N 2 2 325.456 3.283 10 0 EGAELP Fc1cc(C[NH2+]Cc2ccnn2-c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000363945073 144378233 /nfs/dbraw/zinc/37/82/33/144378233.db2.gz JHBIECUSVAYEAV-UHFFFAOYSA-N 2 2 347.397 3.487 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)c[nH+]1 ZINC000363970636 144380994 /nfs/dbraw/zinc/38/09/94/144380994.db2.gz QYAIMIGHXMVAKE-UHFFFAOYSA-N 2 2 344.422 3.006 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCSCc3ccccc3)CC2)CCO1 ZINC000190046321 153114677 /nfs/dbraw/zinc/11/46/77/153114677.db2.gz DKDJJXIDUDIJPD-QGZVFWFLSA-N 2 2 334.529 3.105 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCSCc3ccccc3)CC2)CCO1 ZINC000190046321 153114682 /nfs/dbraw/zinc/11/46/82/153114682.db2.gz DKDJJXIDUDIJPD-QGZVFWFLSA-N 2 2 334.529 3.105 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191998562 153237734 /nfs/dbraw/zinc/23/77/34/153237734.db2.gz AUGVLFJLNPYSKG-UHFFFAOYSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000078425010 161769970 /nfs/dbraw/zinc/76/99/70/161769970.db2.gz SKAYTSNXZUGTHO-QGZVFWFLSA-N 2 2 337.471 3.159 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2nccs2)CC1 ZINC000093582400 162015226 /nfs/dbraw/zinc/01/52/26/162015226.db2.gz DOXNVXKXGDYXOI-UHFFFAOYSA-N 2 2 344.528 3.307 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2nccs2)CC1 ZINC000093582400 162015228 /nfs/dbraw/zinc/01/52/28/162015228.db2.gz DOXNVXKXGDYXOI-UHFFFAOYSA-N 2 2 344.528 3.307 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644225 162020973 /nfs/dbraw/zinc/02/09/73/162020973.db2.gz CFDSASLERKTXGS-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644225 162020979 /nfs/dbraw/zinc/02/09/79/162020979.db2.gz CFDSASLERKTXGS-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644225 162020982 /nfs/dbraw/zinc/02/09/82/162020982.db2.gz CFDSASLERKTXGS-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093644225 162020986 /nfs/dbraw/zinc/02/09/86/162020986.db2.gz CFDSASLERKTXGS-TZMCWYRMSA-N 2 2 326.868 3.272 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248436982 163004981 /nfs/dbraw/zinc/00/49/81/163004981.db2.gz SJSZDNWMORANQV-LSDHHAIUSA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248436982 163004985 /nfs/dbraw/zinc/00/49/85/163004985.db2.gz SJSZDNWMORANQV-LSDHHAIUSA-N 2 2 327.472 3.108 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000248809377 163035315 /nfs/dbraw/zinc/03/53/15/163035315.db2.gz CCLJTAAGZGGTAH-LJQANCHMSA-N 2 2 330.520 3.377 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000248809377 163035316 /nfs/dbraw/zinc/03/53/16/163035316.db2.gz CCLJTAAGZGGTAH-LJQANCHMSA-N 2 2 330.520 3.377 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000337001695 163101271 /nfs/dbraw/zinc/10/12/71/163101271.db2.gz UZZXNUFFBLMVKF-CQSZACIVSA-N 2 2 336.443 3.183 10 0 EGAELP [NH3+]CCCN(Cc1c[nH+]c2ccc(Cl)cn12)c1ccccc1F ZINC000346355346 164373916 /nfs/dbraw/zinc/37/39/16/164373916.db2.gz APOAFCUGZRRHFZ-UHFFFAOYSA-N 2 2 332.810 3.482 10 0 EGAELP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354893260 166057403 /nfs/dbraw/zinc/05/74/03/166057403.db2.gz WCABVBWKZOROGM-UHFFFAOYSA-N 2 2 349.544 3.218 10 0 EGAELP c1cn(-c2cccc(-c3noc([C@@H]4CCCc5[nH+]ccn54)n3)c2)c[nH+]1 ZINC000350458400 165055959 /nfs/dbraw/zinc/05/59/59/165055959.db2.gz PXZAPSXUZBYUEG-HNNXBMFYSA-N 2 2 332.367 3.045 10 0 EGAELP CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351590993 165101488 /nfs/dbraw/zinc/10/14/88/165101488.db2.gz AIKCABHXHUOMMA-UHFFFAOYSA-N 2 2 344.459 3.129 10 0 EGAELP CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351590993 165101492 /nfs/dbraw/zinc/10/14/92/165101492.db2.gz AIKCABHXHUOMMA-UHFFFAOYSA-N 2 2 344.459 3.129 10 0 EGAELP COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000359532291 167181606 /nfs/dbraw/zinc/18/16/06/167181606.db2.gz SICJWGWAPODXME-ZDUSSCGKSA-N 2 2 339.395 3.411 10 0 EGAELP c1n[nH]c2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731284 168040053 /nfs/dbraw/zinc/04/00/53/168040053.db2.gz CCGPNDHPMLDRAH-WTGUMLROSA-N 2 2 336.483 3.052 10 0 EGAELP c1n[nH]c2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000365731284 168040055 /nfs/dbraw/zinc/04/00/55/168040055.db2.gz CCGPNDHPMLDRAH-WTGUMLROSA-N 2 2 336.483 3.052 10 0 EGAELP CCCOc1c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cccc1OCC ZINC000368082249 168308352 /nfs/dbraw/zinc/30/83/52/168308352.db2.gz UOAMQXMDFVZIBK-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP CCCOc1c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cccc1OCC ZINC000368082249 168308354 /nfs/dbraw/zinc/30/83/54/168308354.db2.gz UOAMQXMDFVZIBK-HNNXBMFYSA-N 2 2 329.444 3.244 10 0 EGAELP COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123593988 222302163 /nfs/dbraw/zinc/30/21/63/222302163.db2.gz KTZKCXJAULILKA-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123593988 222302165 /nfs/dbraw/zinc/30/21/65/222302165.db2.gz KTZKCXJAULILKA-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123593988 222302168 /nfs/dbraw/zinc/30/21/68/222302168.db2.gz KTZKCXJAULILKA-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123593988 222302171 /nfs/dbraw/zinc/30/21/71/222302171.db2.gz KTZKCXJAULILKA-IUODEOHRSA-N 2 2 341.293 3.372 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CCc2ccccc2)nc[nH+]1 ZINC000174284740 265039863 /nfs/dbraw/zinc/03/98/63/265039863.db2.gz SVODJPPNEYHDLK-WMZOPIPTSA-N 2 2 339.487 3.098 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000195258078 266169157 /nfs/dbraw/zinc/16/91/57/266169157.db2.gz OYOKLRLHXAMYLC-HNNXBMFYSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000195258078 266169161 /nfs/dbraw/zinc/16/91/61/266169161.db2.gz OYOKLRLHXAMYLC-HNNXBMFYSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000195258078 266169164 /nfs/dbraw/zinc/16/91/64/266169164.db2.gz OYOKLRLHXAMYLC-HNNXBMFYSA-N 2 2 325.522 3.020 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000195258078 266169165 /nfs/dbraw/zinc/16/91/65/266169165.db2.gz OYOKLRLHXAMYLC-HNNXBMFYSA-N 2 2 325.522 3.020 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000279730646 275354173 /nfs/dbraw/zinc/35/41/73/275354173.db2.gz NFHZCIYPEVQUDW-IRXDYDNUSA-N 2 2 341.503 3.105 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000268715255 276151497 /nfs/dbraw/zinc/15/14/97/276151497.db2.gz ILRZDUNQNRURFO-OAHLLOKOSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701171 276380473 /nfs/dbraw/zinc/38/04/73/276380473.db2.gz IQDVYYUWGPJDGW-HKUYNNGSSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701171 276380474 /nfs/dbraw/zinc/38/04/74/276380474.db2.gz IQDVYYUWGPJDGW-HKUYNNGSSA-N 2 2 338.499 3.148 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353456980 277169478 /nfs/dbraw/zinc/16/94/78/277169478.db2.gz XOVRBXDNPYNCBT-ACRUOGEOSA-N 3 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353456980 277169479 /nfs/dbraw/zinc/16/94/79/277169479.db2.gz XOVRBXDNPYNCBT-ACRUOGEOSA-N 3 2 327.516 3.113 10 0 EGAELP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCCO[C@H]21 ZINC000245883109 307960430 /nfs/dbraw/zinc/96/04/30/307960430.db2.gz LETQGQMQXKGYCB-GUDVDZBRSA-N 2 2 325.456 3.225 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249963824 308029489 /nfs/dbraw/zinc/02/94/89/308029489.db2.gz JVPLRZNIKDNFEK-FPOVZHCZSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249963824 308029491 /nfs/dbraw/zinc/02/94/91/308029491.db2.gz JVPLRZNIKDNFEK-FPOVZHCZSA-N 2 2 338.499 3.442 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292828086 308070266 /nfs/dbraw/zinc/07/02/66/308070266.db2.gz AHOLHBVBMODGFN-LJQANCHMSA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292828086 308070267 /nfs/dbraw/zinc/07/02/67/308070267.db2.gz AHOLHBVBMODGFN-LJQANCHMSA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292828086 308070268 /nfs/dbraw/zinc/07/02/68/308070268.db2.gz AHOLHBVBMODGFN-LJQANCHMSA-N 2 2 347.528 3.378 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292828086 308070269 /nfs/dbraw/zinc/07/02/69/308070269.db2.gz AHOLHBVBMODGFN-LJQANCHMSA-N 2 2 347.528 3.378 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](O)C(F)F ZINC000295066045 308286903 /nfs/dbraw/zinc/28/69/03/308286903.db2.gz OURONDRBEXSQEL-JKSUJKDBSA-N 2 2 346.849 3.299 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000414747907 309098695 /nfs/dbraw/zinc/09/86/95/309098695.db2.gz NLIFTFFLBHEEEB-QGZVFWFLSA-N 2 2 327.476 3.025 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000414828330 309104101 /nfs/dbraw/zinc/10/41/01/309104101.db2.gz IQNLFRNQHRPKHH-OAHLLOKOSA-N 2 2 335.245 3.247 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832251 309104514 /nfs/dbraw/zinc/10/45/14/309104514.db2.gz OGEJVKUWFBTZCM-NRFANRHFSA-N 2 2 334.467 3.338 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1C ZINC000414838303 309104756 /nfs/dbraw/zinc/10/47/56/309104756.db2.gz VIUHLCLLTPNZPL-YJBOKZPZSA-N 2 2 325.456 3.310 10 0 EGAELP C[NH+](C)C[C@H]1CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413235996 309023003 /nfs/dbraw/zinc/02/30/03/309023003.db2.gz GCMHPEMHBUDMAV-GFCCVEGCSA-N 2 2 334.261 3.385 10 0 EGAELP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032887 309115397 /nfs/dbraw/zinc/11/53/97/309115397.db2.gz BFUBPJOEYYVXPH-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032887 309115398 /nfs/dbraw/zinc/11/53/98/309115398.db2.gz BFUBPJOEYYVXPH-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052267 309116819 /nfs/dbraw/zinc/11/68/19/309116819.db2.gz NBBZBJQSMFCIHH-FZMZJTMJSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052267 309116818 /nfs/dbraw/zinc/11/68/18/309116818.db2.gz NBBZBJQSMFCIHH-FZMZJTMJSA-N 2 2 329.307 3.475 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072390 309118331 /nfs/dbraw/zinc/11/83/31/309118331.db2.gz YBVVICRRFWHKHS-CQSZACIVSA-N 2 2 327.266 3.065 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000415075320 309118561 /nfs/dbraw/zinc/11/85/61/309118561.db2.gz BIHMTMHOUUYFSS-YLJYHZDGSA-N 3 2 326.488 3.332 10 0 EGAELP COc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415079570 309118901 /nfs/dbraw/zinc/11/89/01/309118901.db2.gz ICGRBVCJODVSCY-FQEVSTJZSA-N 2 2 344.430 3.274 10 0 EGAELP CCn1nncc1C[NH2+]CC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000417932520 309228715 /nfs/dbraw/zinc/22/87/15/309228715.db2.gz WNYOCQQXBJXUFQ-MRXNPFEDSA-N 2 2 329.492 3.297 10 0 EGAELP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccccc1Cl ZINC000419285254 309262921 /nfs/dbraw/zinc/26/29/21/309262921.db2.gz DKKXMAJWCFZHQY-QGZVFWFLSA-N 2 2 347.890 3.052 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372479 309284743 /nfs/dbraw/zinc/28/47/43/309284743.db2.gz MJQYUCDCQWMHAW-SLYNCCJLSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372479 309284744 /nfs/dbraw/zinc/28/47/44/309284744.db2.gz MJQYUCDCQWMHAW-SLYNCCJLSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420392759 309286101 /nfs/dbraw/zinc/28/61/01/309286101.db2.gz ZXUDIYAZGUWHQP-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420392759 309286102 /nfs/dbraw/zinc/28/61/02/309286102.db2.gz ZXUDIYAZGUWHQP-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420402866 309286546 /nfs/dbraw/zinc/28/65/46/309286546.db2.gz QVXBHPRKDHFTBO-KXBFYZLASA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420402866 309286547 /nfs/dbraw/zinc/28/65/47/309286547.db2.gz QVXBHPRKDHFTBO-KXBFYZLASA-N 2 2 344.890 3.490 10 0 EGAELP Cc1csc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420954522 309303787 /nfs/dbraw/zinc/30/37/87/309303787.db2.gz WDDWVDNEXNMFAN-HNNXBMFYSA-N 2 2 331.485 3.135 10 0 EGAELP Cc1c(Cl)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nn1C ZINC000421326325 309318513 /nfs/dbraw/zinc/31/85/13/309318513.db2.gz NKNAGAUTCURRBO-QGZVFWFLSA-N 2 2 346.906 3.036 10 0 EGAELP Cc1c(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nn1C ZINC000421326325 309318514 /nfs/dbraw/zinc/31/85/14/309318514.db2.gz NKNAGAUTCURRBO-QGZVFWFLSA-N 2 2 346.906 3.036 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422710940 309364276 /nfs/dbraw/zinc/36/42/76/309364276.db2.gz LYKONIGCZWVLME-OXQOHEQNSA-N 2 2 332.488 3.002 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422819470 309370150 /nfs/dbraw/zinc/37/01/50/309370150.db2.gz IIVSPFUDCUHYIV-GUXCAODWSA-N 2 2 325.456 3.166 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422974194 309379239 /nfs/dbraw/zinc/37/92/39/309379239.db2.gz DKOQTEHSWSLKHI-LPTQZCDUSA-N 2 2 340.467 3.415 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](C)c2nccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000423032309 309382113 /nfs/dbraw/zinc/38/21/13/309382113.db2.gz FGAUAVWOIJHIMC-XKQJLSEDSA-N 2 2 331.485 3.338 10 0 EGAELP CCC(CC)(C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(=O)OC ZINC000423036748 309382151 /nfs/dbraw/zinc/38/21/51/309382151.db2.gz LLDALJMTTKQHDG-MSOLQXFVSA-N 2 2 348.487 3.057 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043651 309382703 /nfs/dbraw/zinc/38/27/03/309382703.db2.gz PLWKRCPYMBTYIX-BXWZPQSNSA-N 2 2 349.469 3.361 10 0 EGAELP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043651 309382704 /nfs/dbraw/zinc/38/27/04/309382704.db2.gz PLWKRCPYMBTYIX-BXWZPQSNSA-N 2 2 349.469 3.361 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCC2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423143425 309388213 /nfs/dbraw/zinc/38/82/13/309388213.db2.gz DAYRLGIXLMHZIQ-UXHICEINSA-N 2 2 332.488 3.285 10 0 EGAELP COC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000423180278 309389394 /nfs/dbraw/zinc/38/93/94/309389394.db2.gz APPXZJUFZNYMIR-GOSISDBHSA-N 2 2 333.863 3.192 10 0 EGAELP c1ccc2c(c1)SCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423229158 309391445 /nfs/dbraw/zinc/39/14/45/309391445.db2.gz GOFAERBFIRGDLU-INIZCTEOSA-N 2 2 326.469 3.140 10 0 EGAELP CSc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423234079 309391621 /nfs/dbraw/zinc/39/16/21/309391621.db2.gz PBGVZSKZNPVKEO-CQSZACIVSA-N 2 2 328.485 3.386 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000423236201 309391915 /nfs/dbraw/zinc/39/19/15/309391915.db2.gz RUKNKYZIPKIZBW-OLZOCXBDSA-N 2 2 328.382 3.024 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423244996 309392212 /nfs/dbraw/zinc/39/22/12/309392212.db2.gz IHIGKFUMNHSYLZ-KBXCAEBGSA-N 2 2 328.456 3.233 10 0 EGAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423397127 309398577 /nfs/dbraw/zinc/39/85/77/309398577.db2.gz ODXOZOVGWPMGAR-FZQKWOKYSA-N 2 2 327.241 3.163 10 0 EGAELP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000424198668 309432814 /nfs/dbraw/zinc/43/28/14/309432814.db2.gz JIVNFUAQMXOISN-SNVBAGLBSA-N 2 2 348.453 3.028 10 0 EGAELP Cc1nc(N2CC[NH+](CCCc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000446765070 309967827 /nfs/dbraw/zinc/96/78/27/309967827.db2.gz MVYHUUWFAGULMV-UHFFFAOYSA-N 2 2 348.853 3.332 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448330471 310001961 /nfs/dbraw/zinc/00/19/61/310001961.db2.gz DHCPRLRTKSBLOS-XMSQKQJNSA-N 2 2 346.478 3.482 10 0 EGAELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449035926 310031753 /nfs/dbraw/zinc/03/17/53/310031753.db2.gz QOXIVPPMULHLKE-LBPRGKRZSA-N 2 2 337.439 3.472 10 0 EGAELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449035926 310031754 /nfs/dbraw/zinc/03/17/54/310031754.db2.gz QOXIVPPMULHLKE-LBPRGKRZSA-N 2 2 337.439 3.472 10 0 EGAELP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449144343 310040107 /nfs/dbraw/zinc/04/01/07/310040107.db2.gz ZKTRTJDEIFASCZ-HNNXBMFYSA-N 2 2 346.581 3.078 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398219 310058797 /nfs/dbraw/zinc/05/87/97/310058797.db2.gz TWUWDCXQGZCRFL-ZQDZILKHSA-N 2 2 342.936 3.330 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398219 310058798 /nfs/dbraw/zinc/05/87/98/310058798.db2.gz TWUWDCXQGZCRFL-ZQDZILKHSA-N 2 2 342.936 3.330 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560267 310072237 /nfs/dbraw/zinc/07/22/37/310072237.db2.gz ITEPSBSHZHRDIM-IRFPFTSISA-N 3 2 341.543 3.297 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560267 310072238 /nfs/dbraw/zinc/07/22/38/310072238.db2.gz ITEPSBSHZHRDIM-IRFPFTSISA-N 3 2 341.543 3.297 10 0 EGAELP CN1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc21 ZINC000449654377 310077849 /nfs/dbraw/zinc/07/78/49/310077849.db2.gz VRXQHSNLDOSIRG-MRXNPFEDSA-N 2 2 330.501 3.266 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452358252 310224565 /nfs/dbraw/zinc/22/45/65/310224565.db2.gz SSEVQEDNYUYFKU-ZDUSSCGKSA-N 2 2 328.460 3.406 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000453256281 310267182 /nfs/dbraw/zinc/26/71/82/310267182.db2.gz FZIGHNZSIGDNRV-GOEBONIOSA-N 2 2 340.920 3.313 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000453256281 310267183 /nfs/dbraw/zinc/26/71/83/310267183.db2.gz FZIGHNZSIGDNRV-GOEBONIOSA-N 2 2 340.920 3.313 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267239 310268268 /nfs/dbraw/zinc/26/82/68/310268268.db2.gz OYUUDVOEFXYPRE-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267239 310268269 /nfs/dbraw/zinc/26/82/69/310268269.db2.gz OYUUDVOEFXYPRE-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cncn2)cc1Cl ZINC000453345234 310272232 /nfs/dbraw/zinc/27/22/32/310272232.db2.gz JSLSFCBBPDLXNS-AVOUXACISA-N 2 2 345.878 3.197 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cncn2)cc1Cl ZINC000453345234 310272233 /nfs/dbraw/zinc/27/22/33/310272233.db2.gz JSLSFCBBPDLXNS-AVOUXACISA-N 2 2 345.878 3.197 10 0 EGAELP CCCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000453397188 310274867 /nfs/dbraw/zinc/27/48/67/310274867.db2.gz VPZYJUKHLKRNBN-MAUKXSAKSA-N 2 2 328.460 3.022 10 0 EGAELP CCCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000453397188 310274868 /nfs/dbraw/zinc/27/48/68/310274868.db2.gz VPZYJUKHLKRNBN-MAUKXSAKSA-N 2 2 328.460 3.022 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058995 311162481 /nfs/dbraw/zinc/16/24/81/311162481.db2.gz QGGFBNGFWWCFJD-MOPGFXCFSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058995 311162482 /nfs/dbraw/zinc/16/24/82/311162482.db2.gz QGGFBNGFWWCFJD-MOPGFXCFSA-N 2 2 337.552 3.269 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000508254940 312091602 /nfs/dbraw/zinc/09/16/02/312091602.db2.gz ANVIFFMVLZFJHU-IBGZPJMESA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(Cl)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000508254940 312091603 /nfs/dbraw/zinc/09/16/03/312091603.db2.gz ANVIFFMVLZFJHU-IBGZPJMESA-N 2 2 335.923 3.250 10 0 EGAELP COc1cncc(/C=C\CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000514858799 312250214 /nfs/dbraw/zinc/25/02/14/312250214.db2.gz GEIANSUVRLOQAT-HYXAFXHYSA-N 2 2 338.455 3.019 10 0 EGAELP C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000516419106 312323613 /nfs/dbraw/zinc/32/36/13/312323613.db2.gz PTUOWVQKHBJWMX-GFCCVEGCSA-N 2 2 334.261 3.173 10 0 EGAELP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000516419106 312323614 /nfs/dbraw/zinc/32/36/14/312323614.db2.gz PTUOWVQKHBJWMX-GFCCVEGCSA-N 2 2 334.261 3.173 10 0 EGAELP COc1cncc(/C=C\CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000516648351 312335371 /nfs/dbraw/zinc/33/53/71/312335371.db2.gz YPZLHSRYJBLDPN-UTCJRWHESA-N 2 2 338.455 3.465 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529533951 313347052 /nfs/dbraw/zinc/34/70/52/313347052.db2.gz NBCNSIDDVLUDHX-MRXNPFEDSA-N 2 2 337.458 3.222 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000536607509 314129321 /nfs/dbraw/zinc/12/93/21/314129321.db2.gz YWOGHQHDXGSBHV-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000536607509 314129325 /nfs/dbraw/zinc/12/93/25/314129325.db2.gz YWOGHQHDXGSBHV-RDJZCZTQSA-N 2 2 337.427 3.325 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000539066103 314293972 /nfs/dbraw/zinc/29/39/72/314293972.db2.gz XBLYXEUJTNPBIY-XNRPHZJLSA-N 2 2 325.294 3.310 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000539066103 314293973 /nfs/dbraw/zinc/29/39/73/314293973.db2.gz XBLYXEUJTNPBIY-XNRPHZJLSA-N 2 2 325.294 3.310 10 0 EGAELP CC(C)(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c[nH+]c[nH]1 ZINC000548412522 315005989 /nfs/dbraw/zinc/00/59/89/315005989.db2.gz JLOCEMQPGJUJCJ-UHFFFAOYSA-N 2 2 340.471 3.354 10 0 EGAELP CC(C)(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c[nH]c[nH+]1 ZINC000548412522 315005992 /nfs/dbraw/zinc/00/59/92/315005992.db2.gz JLOCEMQPGJUJCJ-UHFFFAOYSA-N 2 2 340.471 3.354 10 0 EGAELP CC(C)C[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000563007993 315941430 /nfs/dbraw/zinc/94/14/30/315941430.db2.gz QRNSKDHBALQKIS-NUEKZKHPSA-N 2 2 332.410 3.265 10 0 EGAELP COc1cccc([C@@H]2[C@H](NCc3[nH]c(C)c(C)[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000565372420 316316073 /nfs/dbraw/zinc/31/60/73/316316073.db2.gz OQHPKCCSHSNPTM-UYAOXDASSA-N 2 2 340.471 3.103 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962256 455616439 /nfs/dbraw/zinc/61/64/39/455616439.db2.gz ILYGGTDYOKWWKO-GXTWGEPZSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962256 455616445 /nfs/dbraw/zinc/61/64/45/455616445.db2.gz ILYGGTDYOKWWKO-GXTWGEPZSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962256 455616447 /nfs/dbraw/zinc/61/64/47/455616447.db2.gz ILYGGTDYOKWWKO-GXTWGEPZSA-N 2 2 326.868 3.359 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCC(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000178964604 323364302 /nfs/dbraw/zinc/36/43/02/323364302.db2.gz WGAXZRWYXCXNFP-SFHVURJKSA-N 2 2 349.563 3.269 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000389275236 324278825 /nfs/dbraw/zinc/27/88/25/324278825.db2.gz SENDVWOKRDCURO-KRWDZBQOSA-N 2 2 345.487 3.168 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000389275236 324278829 /nfs/dbraw/zinc/27/88/29/324278829.db2.gz SENDVWOKRDCURO-KRWDZBQOSA-N 2 2 345.487 3.168 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)C(F)(F)F)CCCC1)c1ccccc1 ZINC000576862877 324695570 /nfs/dbraw/zinc/69/55/70/324695570.db2.gz GBVSGWWPJWOPSH-ZFWWWQNUSA-N 2 2 330.394 3.163 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000580250152 325223324 /nfs/dbraw/zinc/22/33/24/325223324.db2.gz YTHNQLABGOQCDA-FZMZJTMJSA-N 2 2 336.361 3.348 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000580250152 325223328 /nfs/dbraw/zinc/22/33/28/325223328.db2.gz YTHNQLABGOQCDA-FZMZJTMJSA-N 2 2 336.361 3.348 10 0 EGAELP Brc1cccc(-c2c[nH]c(C[NH2+]CCC[NH+]3CCC3)n2)c1 ZINC000580657931 325280018 /nfs/dbraw/zinc/28/00/18/325280018.db2.gz CQDQAXRGRUUOQC-UHFFFAOYSA-N 2 2 349.276 3.025 10 0 EGAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000299805339 456783187 /nfs/dbraw/zinc/78/31/87/456783187.db2.gz JORFOQFEPOWZMD-IRXDYDNUSA-N 2 2 331.257 3.376 10 0 EGAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000299805339 456783191 /nfs/dbraw/zinc/78/31/91/456783191.db2.gz JORFOQFEPOWZMD-IRXDYDNUSA-N 2 2 331.257 3.376 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668305 455222964 /nfs/dbraw/zinc/22/29/64/455222964.db2.gz HGCNYIYLHQHLNU-MRXNPFEDSA-N 2 2 340.471 3.314 10 0 EGAELP C[C@@H]1C[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631839154 460577897 /nfs/dbraw/zinc/57/78/97/460577897.db2.gz AXJYLDRURQYVKM-TZMCWYRMSA-N 2 2 335.904 3.414 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631839154 460577902 /nfs/dbraw/zinc/57/79/02/460577902.db2.gz AXJYLDRURQYVKM-TZMCWYRMSA-N 2 2 335.904 3.414 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000245573571 455333789 /nfs/dbraw/zinc/33/37/89/455333789.db2.gz DBTLTLVSUFRGAS-KEYYUXOJSA-N 2 2 330.501 3.408 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000245573571 455333792 /nfs/dbraw/zinc/33/37/92/455333792.db2.gz DBTLTLVSUFRGAS-KEYYUXOJSA-N 2 2 330.501 3.408 10 0 EGAELP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181479536 455341314 /nfs/dbraw/zinc/34/13/14/455341314.db2.gz LETQGQMQXKGYCB-QRVBRYPASA-N 2 2 325.456 3.225 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886731 460589814 /nfs/dbraw/zinc/58/98/14/460589814.db2.gz LSBCKKMBIMLXOD-ZWKOTPCHSA-N 2 2 340.471 3.434 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886731 460589820 /nfs/dbraw/zinc/58/98/20/460589820.db2.gz LSBCKKMBIMLXOD-ZWKOTPCHSA-N 2 2 340.471 3.434 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+]Cc1ncc(Br)cc1F ZINC000623558621 460610927 /nfs/dbraw/zinc/61/09/27/460610927.db2.gz DFFHMEGPIGEDDF-UHFFFAOYSA-N 2 2 332.261 3.051 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ncc(Br)cc1F ZINC000623558621 460610933 /nfs/dbraw/zinc/61/09/33/460610933.db2.gz DFFHMEGPIGEDDF-UHFFFAOYSA-N 2 2 332.261 3.051 10 0 EGAELP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245774732 455377509 /nfs/dbraw/zinc/37/75/09/455377509.db2.gz SLWVFPQCAQDYQJ-GOEBONIOSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245774732 455377513 /nfs/dbraw/zinc/37/75/13/455377513.db2.gz SLWVFPQCAQDYQJ-GOEBONIOSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245774732 455377517 /nfs/dbraw/zinc/37/75/17/455377517.db2.gz SLWVFPQCAQDYQJ-GOEBONIOSA-N 2 2 336.476 3.017 10 0 EGAELP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245774732 455377521 /nfs/dbraw/zinc/37/75/21/455377521.db2.gz SLWVFPQCAQDYQJ-GOEBONIOSA-N 2 2 336.476 3.017 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567752 453888273 /nfs/dbraw/zinc/88/82/73/453888273.db2.gz LWDAODCMRCLAIK-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567752 453888276 /nfs/dbraw/zinc/88/82/76/453888276.db2.gz LWDAODCMRCLAIK-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567752 453888278 /nfs/dbraw/zinc/88/82/78/453888278.db2.gz LWDAODCMRCLAIK-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567752 453888281 /nfs/dbraw/zinc/88/82/81/453888281.db2.gz LWDAODCMRCLAIK-JKSUJKDBSA-N 2 2 328.460 3.461 10 0 EGAELP COc1ccc(OC)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000042228150 454001817 /nfs/dbraw/zinc/00/18/17/454001817.db2.gz GCAMXVOLMBEKGE-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942702 454226972 /nfs/dbraw/zinc/22/69/72/454226972.db2.gz GTNXWZYYLHVYLC-FPOVZHCZSA-N 3 2 341.543 3.471 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130942926 454227447 /nfs/dbraw/zinc/22/74/47/454227447.db2.gz GTNXWZYYLHVYLC-TZIWHRDSSA-N 3 2 341.543 3.471 10 0 EGAELP CCN(CC)c1ncc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000079080509 454364644 /nfs/dbraw/zinc/36/46/44/454364644.db2.gz VKCRCTJCPXDVRW-UHFFFAOYSA-N 2 2 345.516 3.143 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cn(C)nc1C1CCCCC1)C2 ZINC000097086543 454403972 /nfs/dbraw/zinc/40/39/72/454403972.db2.gz HCZZHDRTUGOUEK-KRWDZBQOSA-N 2 2 327.476 3.077 10 0 EGAELP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1 ZINC000091287861 454423199 /nfs/dbraw/zinc/42/31/99/454423199.db2.gz DBMVCMWYOHTQBF-NRFANRHFSA-N 2 2 339.483 3.401 10 0 EGAELP C[C@@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000133603700 454444460 /nfs/dbraw/zinc/44/44/60/454444460.db2.gz YYTCJTYRSUNDNQ-GOSISDBHSA-N 3 2 329.532 3.013 10 0 EGAELP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143672 454462003 /nfs/dbraw/zinc/46/20/03/454462003.db2.gz FGNSSIXSSLGENU-SFHVURJKSA-N 2 2 335.451 3.018 10 0 EGAELP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143672 454462008 /nfs/dbraw/zinc/46/20/08/454462008.db2.gz FGNSSIXSSLGENU-SFHVURJKSA-N 2 2 335.451 3.018 10 0 EGAELP C[NH+](C)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000134983321 454619945 /nfs/dbraw/zinc/61/99/45/454619945.db2.gz DHWYJULLGRPEOJ-UHFFFAOYSA-N 2 2 344.286 3.348 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000105897913 454666320 /nfs/dbraw/zinc/66/63/20/454666320.db2.gz WZNOGFAFLJJDQL-GOSISDBHSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000105897913 454666327 /nfs/dbraw/zinc/66/63/27/454666327.db2.gz WZNOGFAFLJJDQL-GOSISDBHSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000106216667 454686304 /nfs/dbraw/zinc/68/63/04/454686304.db2.gz RAGYLOUNYNSDLS-MRXNPFEDSA-N 2 2 346.862 3.375 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000106216667 454686310 /nfs/dbraw/zinc/68/63/10/454686310.db2.gz RAGYLOUNYNSDLS-MRXNPFEDSA-N 2 2 346.862 3.375 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123992774 454692954 /nfs/dbraw/zinc/69/29/54/454692954.db2.gz WASXWFQYQWEYSY-UYAOXDASSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123992774 454692955 /nfs/dbraw/zinc/69/29/55/454692955.db2.gz WASXWFQYQWEYSY-UYAOXDASSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123992774 454692957 /nfs/dbraw/zinc/69/29/57/454692957.db2.gz WASXWFQYQWEYSY-UYAOXDASSA-N 2 2 345.531 3.148 10 0 EGAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123992774 454692959 /nfs/dbraw/zinc/69/29/59/454692959.db2.gz WASXWFQYQWEYSY-UYAOXDASSA-N 2 2 345.531 3.148 10 0 EGAELP C[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCC[N@@H+]1Cc1ccccc1 ZINC000152977136 454749774 /nfs/dbraw/zinc/74/97/74/454749774.db2.gz AWKCPKXIDDOXSP-FQEVSTJZSA-N 2 2 344.499 3.316 10 0 EGAELP C[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCC[N@H+]1Cc1ccccc1 ZINC000152977136 454749778 /nfs/dbraw/zinc/74/97/78/454749778.db2.gz AWKCPKXIDDOXSP-FQEVSTJZSA-N 2 2 344.499 3.316 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000163410313 454845427 /nfs/dbraw/zinc/84/54/27/454845427.db2.gz JONOLHZYHKFGCH-GOEBONIOSA-N 2 2 338.517 3.179 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000163410313 454845431 /nfs/dbraw/zinc/84/54/31/454845431.db2.gz JONOLHZYHKFGCH-GOEBONIOSA-N 2 2 338.517 3.179 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154821096 454932695 /nfs/dbraw/zinc/93/26/95/454932695.db2.gz DOOOENRUJVXSCM-KRWDZBQOSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000151266773 454961202 /nfs/dbraw/zinc/96/12/02/454961202.db2.gz YGIZVJOLQVGCIS-NWDGAFQWSA-N 2 2 347.322 3.008 10 0 EGAELP Clc1ccc2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2c1 ZINC000170872100 454991748 /nfs/dbraw/zinc/99/17/48/454991748.db2.gz HPORQFAQRHSDLR-CQSZACIVSA-N 2 2 341.846 3.317 10 0 EGAELP Clc1ccc2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2c1 ZINC000170872100 454991752 /nfs/dbraw/zinc/99/17/52/454991752.db2.gz HPORQFAQRHSDLR-CQSZACIVSA-N 2 2 341.846 3.317 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000155599976 455021193 /nfs/dbraw/zinc/02/11/93/455021193.db2.gz DAJPNXSQHSOIDI-HOCLYGCPSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000155599976 455021196 /nfs/dbraw/zinc/02/11/96/455021196.db2.gz DAJPNXSQHSOIDI-HOCLYGCPSA-N 2 2 339.468 3.485 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000128540300 455065883 /nfs/dbraw/zinc/06/58/83/455065883.db2.gz BKBBVGPGFBKUSH-GOSISDBHSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000128540300 455065886 /nfs/dbraw/zinc/06/58/86/455065886.db2.gz BKBBVGPGFBKUSH-GOSISDBHSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1C1CC1 ZINC000171671660 455084948 /nfs/dbraw/zinc/08/49/48/455084948.db2.gz DDIHKWREYGQFRJ-UHFFFAOYSA-N 2 2 343.515 3.430 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171975747 455105261 /nfs/dbraw/zinc/10/52/61/455105261.db2.gz XNMYDEQCWPLCMR-MRXNPFEDSA-N 2 2 338.411 3.186 10 0 EGAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171975747 455105263 /nfs/dbraw/zinc/10/52/63/455105263.db2.gz XNMYDEQCWPLCMR-MRXNPFEDSA-N 2 2 338.411 3.186 10 0 EGAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)CC2 ZINC000626781089 460665399 /nfs/dbraw/zinc/66/53/99/460665399.db2.gz ZEBUFVXCYOGCNZ-ZDUSSCGKSA-N 2 2 346.862 3.108 10 0 EGAELP CCC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccn1 ZINC000180568958 455198791 /nfs/dbraw/zinc/19/87/91/455198791.db2.gz MUTWGGCNBQFHPL-JKSUJKDBSA-N 2 2 340.475 3.013 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422221 455294083 /nfs/dbraw/zinc/29/40/83/455294083.db2.gz IPEBGVHWYMTLED-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422221 455294087 /nfs/dbraw/zinc/29/40/87/455294087.db2.gz IPEBGVHWYMTLED-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422221 455294089 /nfs/dbraw/zinc/29/40/89/455294089.db2.gz IPEBGVHWYMTLED-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000245422221 455294093 /nfs/dbraw/zinc/29/40/93/455294093.db2.gz IPEBGVHWYMTLED-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869924 455389265 /nfs/dbraw/zinc/38/92/65/455389265.db2.gz RFCXGZNWEKWERE-DZGCQCFKSA-N 2 2 332.517 3.435 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869924 455389267 /nfs/dbraw/zinc/38/92/67/455389267.db2.gz RFCXGZNWEKWERE-DZGCQCFKSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869924 455389270 /nfs/dbraw/zinc/38/92/70/455389270.db2.gz RFCXGZNWEKWERE-DZGCQCFKSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869924 455389271 /nfs/dbraw/zinc/38/92/71/455389271.db2.gz RFCXGZNWEKWERE-DZGCQCFKSA-N 2 2 332.517 3.435 10 0 EGAELP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000175252574 455430874 /nfs/dbraw/zinc/43/08/74/455430874.db2.gz BNQQOSTUHJTZJX-HUUCEWRRSA-N 2 2 346.500 3.488 10 0 EGAELP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000175252574 455430877 /nfs/dbraw/zinc/43/08/77/455430877.db2.gz BNQQOSTUHJTZJX-HUUCEWRRSA-N 2 2 346.500 3.488 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000246130288 455433188 /nfs/dbraw/zinc/43/31/88/455433188.db2.gz KUVCZUDMPUJBML-MAUKXSAKSA-N 2 2 347.890 3.251 10 0 EGAELP Clc1ccc(C2=NO[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000246130288 455433193 /nfs/dbraw/zinc/43/31/93/455433193.db2.gz KUVCZUDMPUJBML-MAUKXSAKSA-N 2 2 347.890 3.251 10 0 EGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000246238418 455455699 /nfs/dbraw/zinc/45/56/99/455455699.db2.gz NQMMVERWSXLGPZ-ZGRYLRDCSA-N 2 2 339.524 3.141 10 0 EGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000246238418 455455707 /nfs/dbraw/zinc/45/57/07/455455707.db2.gz NQMMVERWSXLGPZ-ZGRYLRDCSA-N 2 2 339.524 3.141 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000191523618 455493826 /nfs/dbraw/zinc/49/38/26/455493826.db2.gz YRGJVEZPZJSEKY-UHFFFAOYSA-N 2 2 331.464 3.398 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000191523618 455493830 /nfs/dbraw/zinc/49/38/30/455493830.db2.gz YRGJVEZPZJSEKY-UHFFFAOYSA-N 2 2 331.464 3.398 10 0 EGAELP COCc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000267227282 455519544 /nfs/dbraw/zinc/51/95/44/455519544.db2.gz FBHLZQNOZQZQDS-CRAIPNDOSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000267227282 455519547 /nfs/dbraw/zinc/51/95/47/455519547.db2.gz FBHLZQNOZQZQDS-CRAIPNDOSA-N 2 2 345.512 3.290 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]3c3ccco3)c2cc1C ZINC000247053977 455551734 /nfs/dbraw/zinc/55/17/34/455551734.db2.gz OTMMWRKKZYDWNB-AEFFLSMTSA-N 2 2 339.439 3.444 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266977 455613060 /nfs/dbraw/zinc/61/30/60/455613060.db2.gz ZDXJBJPAKACJMJ-UWJYYQICSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266977 455613064 /nfs/dbraw/zinc/61/30/64/455613064.db2.gz ZDXJBJPAKACJMJ-UWJYYQICSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266977 455613070 /nfs/dbraw/zinc/61/30/70/455613070.db2.gz ZDXJBJPAKACJMJ-UWJYYQICSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292266977 455613077 /nfs/dbraw/zinc/61/30/77/455613077.db2.gz ZDXJBJPAKACJMJ-UWJYYQICSA-N 2 2 343.515 3.473 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962256 455616436 /nfs/dbraw/zinc/61/64/36/455616436.db2.gz ILYGGTDYOKWWKO-GXTWGEPZSA-N 2 2 326.868 3.359 10 0 EGAELP COC(=O)C1CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000192443838 455618445 /nfs/dbraw/zinc/61/84/45/455618445.db2.gz PRYPUKMVCRVTTN-HPUBIQBYSA-N 2 2 327.428 3.255 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000247804317 455646450 /nfs/dbraw/zinc/64/64/50/455646450.db2.gz SEXKPEMYHQCGFP-KSZLIROESA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000247804317 455646455 /nfs/dbraw/zinc/64/64/55/455646455.db2.gz SEXKPEMYHQCGFP-KSZLIROESA-N 2 2 346.519 3.120 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)cc1 ZINC000248129191 455685639 /nfs/dbraw/zinc/68/56/39/455685639.db2.gz OGWOQJDDPOLHFC-ROUUACIJSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)cc1 ZINC000248129191 455685643 /nfs/dbraw/zinc/68/56/43/455685643.db2.gz OGWOQJDDPOLHFC-ROUUACIJSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)n2)cc1 ZINC000248129191 455685647 /nfs/dbraw/zinc/68/56/47/455685647.db2.gz OGWOQJDDPOLHFC-ROUUACIJSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000248129191 455685653 /nfs/dbraw/zinc/68/56/53/455685653.db2.gz OGWOQJDDPOLHFC-ROUUACIJSA-N 2 2 340.471 3.215 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162553 455691536 /nfs/dbraw/zinc/69/15/36/455691536.db2.gz SIRHQDLMMATLOB-WMLDXEAASA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162553 455691541 /nfs/dbraw/zinc/69/15/41/455691541.db2.gz SIRHQDLMMATLOB-WMLDXEAASA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162553 455691544 /nfs/dbraw/zinc/69/15/44/455691544.db2.gz SIRHQDLMMATLOB-WMLDXEAASA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162553 455691549 /nfs/dbraw/zinc/69/15/49/455691549.db2.gz SIRHQDLMMATLOB-WMLDXEAASA-N 2 2 329.419 3.397 10 0 EGAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3cc[nH]c32)CCC[N@@H+]1C ZINC000284702772 455727982 /nfs/dbraw/zinc/72/79/82/455727982.db2.gz YVFKVZIZHYXKIA-FXAWDEMLSA-N 2 2 337.471 3.074 10 0 EGAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3cc[nH]c32)CCC[N@H+]1C ZINC000284702772 455727987 /nfs/dbraw/zinc/72/79/87/455727987.db2.gz YVFKVZIZHYXKIA-FXAWDEMLSA-N 2 2 337.471 3.074 10 0 EGAELP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253416033 455840829 /nfs/dbraw/zinc/84/08/29/455840829.db2.gz NSBLRDUUYODXFV-NHCUHLMSSA-N 2 2 340.515 3.204 10 0 EGAELP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000253416033 455840835 /nfs/dbraw/zinc/84/08/35/455840835.db2.gz NSBLRDUUYODXFV-NHCUHLMSSA-N 2 2 340.515 3.204 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000280082113 455887030 /nfs/dbraw/zinc/88/70/30/455887030.db2.gz ACGXVPGYTYWLGH-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000280082113 455887035 /nfs/dbraw/zinc/88/70/35/455887035.db2.gz ACGXVPGYTYWLGH-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581161 460699770 /nfs/dbraw/zinc/69/97/70/460699770.db2.gz SNJJHXCRGOCPJM-MAUKXSAKSA-N 2 2 349.438 3.291 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606581161 460699776 /nfs/dbraw/zinc/69/97/76/460699776.db2.gz SNJJHXCRGOCPJM-MAUKXSAKSA-N 2 2 349.438 3.291 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000629667246 460856986 /nfs/dbraw/zinc/85/69/86/460856986.db2.gz UAVTYZLIUOIWLN-IYBDPMFKSA-N 2 2 330.806 3.373 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000629667246 460856994 /nfs/dbraw/zinc/85/69/94/460856994.db2.gz UAVTYZLIUOIWLN-IYBDPMFKSA-N 2 2 330.806 3.373 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)sc1C ZINC000195280016 455940663 /nfs/dbraw/zinc/94/06/63/455940663.db2.gz GWVMYCDYCLYPBO-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)sc1C ZINC000195280016 455940668 /nfs/dbraw/zinc/94/06/68/455940668.db2.gz GWVMYCDYCLYPBO-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)sc1C ZINC000195280016 455940672 /nfs/dbraw/zinc/94/06/72/455940672.db2.gz GWVMYCDYCLYPBO-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)sc1C ZINC000195280016 455940676 /nfs/dbraw/zinc/94/06/76/455940676.db2.gz GWVMYCDYCLYPBO-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP C[NH+]1CCC(Oc2ccc(CNc3cc[nH+]c(C4CC4)n3)cc2)CC1 ZINC000286317549 456022096 /nfs/dbraw/zinc/02/20/96/456022096.db2.gz FNVSCDLZSZBMHI-UHFFFAOYSA-N 2 2 338.455 3.439 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC(F)F ZINC000271189265 456162545 /nfs/dbraw/zinc/16/25/45/456162545.db2.gz LQDACTZYBSYAGC-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP Cc1cccc2c(N3CCN(C4=[NH+]C[C@H](C)S4)CC3)cc[nH+]c12 ZINC000301656337 456175520 /nfs/dbraw/zinc/17/55/20/456175520.db2.gz HWAOTMSRUHZIQI-AWEZNQCLSA-N 2 2 326.469 3.157 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762683 456282888 /nfs/dbraw/zinc/28/28/88/456282888.db2.gz ISAZDUMRBJCRIL-INIZCTEOSA-N 2 2 339.439 3.478 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762683 456282895 /nfs/dbraw/zinc/28/28/95/456282895.db2.gz ISAZDUMRBJCRIL-INIZCTEOSA-N 2 2 339.439 3.478 10 0 EGAELP c1cc(C[NH+]2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)cs1 ZINC000623816158 460727689 /nfs/dbraw/zinc/72/76/89/460727689.db2.gz YZWDWDDSJMTSBA-UHFFFAOYSA-N 2 2 349.463 3.266 10 0 EGAELP OCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281900721 456354657 /nfs/dbraw/zinc/35/46/57/456354657.db2.gz BNFJIENPKMZSQE-SFHVURJKSA-N 2 2 325.456 3.091 10 0 EGAELP OCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281900721 456354662 /nfs/dbraw/zinc/35/46/62/456354662.db2.gz BNFJIENPKMZSQE-SFHVURJKSA-N 2 2 325.456 3.091 10 0 EGAELP CCCN(CC[NH+]1CCCC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000352871876 456378822 /nfs/dbraw/zinc/37/88/22/456378822.db2.gz CYJOLGQFBDSSNX-UHFFFAOYSA-N 2 2 326.488 3.239 10 0 EGAELP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282020272 456391506 /nfs/dbraw/zinc/39/15/06/456391506.db2.gz KGSYZZBSLBKCSF-OAHLLOKOSA-N 2 2 328.460 3.458 10 0 EGAELP CCc1noc(C)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282020272 456391510 /nfs/dbraw/zinc/39/15/10/456391510.db2.gz KGSYZZBSLBKCSF-OAHLLOKOSA-N 2 2 328.460 3.458 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131568 456421102 /nfs/dbraw/zinc/42/11/02/456421102.db2.gz RKIMYKDXNQDEQZ-KXBFYZLASA-N 2 2 343.446 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131568 456421112 /nfs/dbraw/zinc/42/11/12/456421112.db2.gz RKIMYKDXNQDEQZ-KXBFYZLASA-N 2 2 343.446 3.272 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164792 456432106 /nfs/dbraw/zinc/43/21/06/456432106.db2.gz UOZHGQSIVJXUPW-AWEZNQCLSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164792 456432111 /nfs/dbraw/zinc/43/21/11/456432111.db2.gz UOZHGQSIVJXUPW-AWEZNQCLSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000340401861 456438733 /nfs/dbraw/zinc/43/87/33/456438733.db2.gz OJNGTNUWDKDJGM-UHFFFAOYSA-N 2 2 330.863 3.193 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777466 462263420 /nfs/dbraw/zinc/26/34/20/462263420.db2.gz QVEIBWLUZJFRLM-DOTOQJQBSA-N 2 2 338.442 3.352 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)C1 ZINC000657777466 462263421 /nfs/dbraw/zinc/26/34/21/462263421.db2.gz QVEIBWLUZJFRLM-DOTOQJQBSA-N 2 2 338.442 3.352 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282451595 456519021 /nfs/dbraw/zinc/51/90/21/456519021.db2.gz IVIZAUYFJDJGNA-GOSISDBHSA-N 2 2 341.503 3.249 10 0 EGAELP CC(C)n1ncnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282451595 456519024 /nfs/dbraw/zinc/51/90/24/456519024.db2.gz IVIZAUYFJDJGNA-GOSISDBHSA-N 2 2 341.503 3.249 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350847 456637822 /nfs/dbraw/zinc/63/78/22/456637822.db2.gz XXEQRZGJHKSELT-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350847 456637827 /nfs/dbraw/zinc/63/78/27/456637827.db2.gz XXEQRZGJHKSELT-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000348352678 456643807 /nfs/dbraw/zinc/64/38/07/456643807.db2.gz KRXMMWIKKLTWSR-PXNSSMCTSA-N 2 2 337.467 3.102 10 0 EGAELP CCOc1cccc(C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)c1 ZINC000328642415 456724937 /nfs/dbraw/zinc/72/49/37/456724937.db2.gz QZPWRJSIHWJBIO-IBGZPJMESA-N 2 2 325.456 3.092 10 0 EGAELP CCOc1cccc(C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)c1 ZINC000328642415 456724942 /nfs/dbraw/zinc/72/49/42/456724942.db2.gz QZPWRJSIHWJBIO-IBGZPJMESA-N 2 2 325.456 3.092 10 0 EGAELP CCCn1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349254588 456925561 /nfs/dbraw/zinc/92/55/61/456925561.db2.gz ZFQMTODWSMNBEK-UHFFFAOYSA-N 2 2 326.488 3.390 10 0 EGAELP CCCn1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349254588 456925564 /nfs/dbraw/zinc/92/55/64/456925564.db2.gz ZFQMTODWSMNBEK-UHFFFAOYSA-N 2 2 326.488 3.390 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000345165073 456949993 /nfs/dbraw/zinc/94/99/93/456949993.db2.gz PLKHXQCTBJMNEF-COPLHBTASA-N 2 2 327.266 3.058 10 0 EGAELP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000345165073 456949996 /nfs/dbraw/zinc/94/99/96/456949996.db2.gz PLKHXQCTBJMNEF-COPLHBTASA-N 2 2 327.266 3.058 10 0 EGAELP Fc1ccc(-n2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cn2)cc1 ZINC000353917213 456964610 /nfs/dbraw/zinc/96/46/10/456964610.db2.gz TUFPHZJGFXLESK-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000354138153 457089027 /nfs/dbraw/zinc/08/90/27/457089027.db2.gz ISHVDEHPFVDEPX-UHFFFAOYSA-N 2 2 344.503 3.083 10 0 EGAELP Cc1cc2cc(C[NH+]3CCN(c4cc[nH+]c(C)n4)CC3)oc2cc1C ZINC000355364678 457365148 /nfs/dbraw/zinc/36/51/48/457365148.db2.gz IROHURMQCHPEST-UHFFFAOYSA-N 2 2 336.439 3.470 10 0 EGAELP Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000347419679 457417240 /nfs/dbraw/zinc/41/72/40/457417240.db2.gz WPTKIFFHFLNJGU-OAHLLOKOSA-N 2 2 325.460 3.014 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391001847 457449552 /nfs/dbraw/zinc/44/95/52/457449552.db2.gz GTRHWBDDXPEBNO-YQQQUEKLSA-N 2 2 339.487 3.144 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391001847 457449555 /nfs/dbraw/zinc/44/95/55/457449555.db2.gz GTRHWBDDXPEBNO-YQQQUEKLSA-N 2 2 339.487 3.144 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000399012111 457503529 /nfs/dbraw/zinc/50/35/29/457503529.db2.gz YNMJAWWTJNLVOS-GMXVVIOVSA-N 2 2 327.266 3.249 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C#N)c[nH+]1 ZINC000399587847 457509572 /nfs/dbraw/zinc/50/95/72/457509572.db2.gz NYBMLOQCHLNZIN-MISYRCLQSA-N 2 2 332.451 3.006 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(C#N)c[nH+]1 ZINC000399587847 457509577 /nfs/dbraw/zinc/50/95/77/457509577.db2.gz NYBMLOQCHLNZIN-MISYRCLQSA-N 2 2 332.451 3.006 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012968 457511103 /nfs/dbraw/zinc/51/11/03/457511103.db2.gz LMHWJAZNXXPLAD-HIFRSBDPSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012968 457511107 /nfs/dbraw/zinc/51/11/07/457511107.db2.gz LMHWJAZNXXPLAD-HIFRSBDPSA-N 2 2 346.393 3.347 10 0 EGAELP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Cl)c1OC ZINC000370131706 457555483 /nfs/dbraw/zinc/55/54/83/457555483.db2.gz LDZHJUKJBPTIIX-UHFFFAOYSA-N 2 2 338.879 3.464 10 0 EGAELP Cc1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c(C)[nH+]1 ZINC000374544013 457654478 /nfs/dbraw/zinc/65/44/78/457654478.db2.gz OWRQZOUDIAKZOJ-MRXNPFEDSA-N 2 2 325.460 3.319 10 0 EGAELP CCOC(=O)C(C)(C)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361297936 457683690 /nfs/dbraw/zinc/68/36/90/457683690.db2.gz VRZQIVUJDJUNKH-UHFFFAOYSA-N 2 2 331.460 3.446 10 0 EGAELP CCC[C@@H]1C(=O)NCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361352202 457703080 /nfs/dbraw/zinc/70/30/80/457703080.db2.gz CVKUTZRBDHXSIP-LJQANCHMSA-N 2 2 342.487 3.116 10 0 EGAELP CCC[C@@H]1C(=O)NCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361352202 457703085 /nfs/dbraw/zinc/70/30/85/457703085.db2.gz CVKUTZRBDHXSIP-LJQANCHMSA-N 2 2 342.487 3.116 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358244061 457883363 /nfs/dbraw/zinc/88/33/63/457883363.db2.gz VRZQCECRFBIEQY-KRWDZBQOSA-N 2 2 348.487 3.023 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358244061 457883368 /nfs/dbraw/zinc/88/33/68/457883368.db2.gz VRZQCECRFBIEQY-KRWDZBQOSA-N 2 2 348.487 3.023 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464509 457939057 /nfs/dbraw/zinc/93/90/57/457939057.db2.gz JLDWWSGDOFIEEN-QGZVFWFLSA-N 2 2 349.438 3.431 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464509 457939063 /nfs/dbraw/zinc/93/90/63/457939063.db2.gz JLDWWSGDOFIEEN-QGZVFWFLSA-N 2 2 349.438 3.431 10 0 EGAELP CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000371476361 457952120 /nfs/dbraw/zinc/95/21/20/457952120.db2.gz BFOHDBMTJQYFAX-ICSRJNTNSA-N 2 2 326.488 3.431 10 0 EGAELP CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000371476361 457952125 /nfs/dbraw/zinc/95/21/25/457952125.db2.gz BFOHDBMTJQYFAX-ICSRJNTNSA-N 2 2 326.488 3.431 10 0 EGAELP c1cc(Sc2ccccn2)oc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367934189 458000255 /nfs/dbraw/zinc/00/02/55/458000255.db2.gz NVTGRALPOSJEJI-LBPRGKRZSA-N 2 2 326.425 3.196 10 0 EGAELP c1cc(Sc2ccccn2)oc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367934189 458000261 /nfs/dbraw/zinc/00/02/61/458000261.db2.gz NVTGRALPOSJEJI-LBPRGKRZSA-N 2 2 326.425 3.196 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104004 458009529 /nfs/dbraw/zinc/00/95/29/458009529.db2.gz ZUBJEADRKMVIGZ-JQWIXIFHSA-N 2 2 329.835 3.158 10 0 EGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104004 458009534 /nfs/dbraw/zinc/00/95/34/458009534.db2.gz ZUBJEADRKMVIGZ-JQWIXIFHSA-N 2 2 329.835 3.158 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000368103103 458010011 /nfs/dbraw/zinc/01/00/11/458010011.db2.gz SAKIHOLENMPUKL-SWLSCSKDSA-N 2 2 329.469 3.492 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCS2 ZINC000368103103 458010015 /nfs/dbraw/zinc/01/00/15/458010015.db2.gz SAKIHOLENMPUKL-SWLSCSKDSA-N 2 2 329.469 3.492 10 0 EGAELP C[NH+](C)CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000358627679 458115945 /nfs/dbraw/zinc/11/59/45/458115945.db2.gz KFNXUKULANQVJN-UHFFFAOYSA-N 2 2 344.434 3.462 10 0 EGAELP c1cn2c(C[NH2+]C3CC([NH+]4CCCCC4)C3)c(C3CC3)nc2s1 ZINC000376436659 458299925 /nfs/dbraw/zinc/29/99/25/458299925.db2.gz XEOBULNXOHYHMF-UHFFFAOYSA-N 2 2 330.501 3.380 10 0 EGAELP CC(C)CC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000372673141 458314147 /nfs/dbraw/zinc/31/41/47/458314147.db2.gz LVKCKXFXFGZOHJ-UHFFFAOYSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000459405295 458360743 /nfs/dbraw/zinc/36/07/43/458360743.db2.gz FJTBKQCXXFUNPQ-INIZCTEOSA-N 2 2 335.455 3.045 10 0 EGAELP C[N@H+](CCC[NH2+]Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC000447933818 458368188 /nfs/dbraw/zinc/36/81/88/458368188.db2.gz VFAQZMQMOOSUIF-UHFFFAOYSA-N 2 2 334.467 3.484 10 0 EGAELP C[N@@H+](CCC[NH2+]Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC000447933818 458368192 /nfs/dbraw/zinc/36/81/92/458368192.db2.gz VFAQZMQMOOSUIF-UHFFFAOYSA-N 2 2 334.467 3.484 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439468 458370749 /nfs/dbraw/zinc/37/07/49/458370749.db2.gz TZTXAXCOOOEXNW-DNVCBOLYSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439468 458370753 /nfs/dbraw/zinc/37/07/53/458370753.db2.gz TZTXAXCOOOEXNW-DNVCBOLYSA-N 3 2 333.545 3.347 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798994 458532514 /nfs/dbraw/zinc/53/25/14/458532514.db2.gz PJZFBCINQYOTBY-XJKSGUPXSA-N 2 2 341.459 3.148 10 0 EGAELP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798994 458532519 /nfs/dbraw/zinc/53/25/19/458532519.db2.gz PJZFBCINQYOTBY-XJKSGUPXSA-N 2 2 341.459 3.148 10 0 EGAELP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)[nH+]c1C ZINC000377806881 458535429 /nfs/dbraw/zinc/53/54/29/458535429.db2.gz KPAPMHVUOQESSR-LRDDRELGSA-N 2 2 326.444 3.362 10 0 EGAELP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)[nH+]c1C ZINC000377806881 458535435 /nfs/dbraw/zinc/53/54/35/458535435.db2.gz KPAPMHVUOQESSR-LRDDRELGSA-N 2 2 326.444 3.362 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCc3[nH+]c4ccccc4n3C)C[C@H]2C1 ZINC000424307957 458611839 /nfs/dbraw/zinc/61/18/39/458611839.db2.gz YULVIRWEZWDFDR-WNKDZCFJSA-N 2 2 327.472 3.299 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)C[C@H]2C1 ZINC000424346725 458622211 /nfs/dbraw/zinc/62/22/11/458622211.db2.gz JVLJSTGMTVRIAY-MMIASXOFSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)C[C@H]2C1 ZINC000424346725 458622218 /nfs/dbraw/zinc/62/22/18/458622218.db2.gz JVLJSTGMTVRIAY-MMIASXOFSA-N 2 2 328.500 3.443 10 0 EGAELP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502272546 458644216 /nfs/dbraw/zinc/64/42/16/458644216.db2.gz ZAQANWOZNUKZLI-GIVPXCGWSA-N 2 2 327.516 3.367 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000530216177 458720024 /nfs/dbraw/zinc/72/00/24/458720024.db2.gz NOIDXYLBDOKDQQ-BZSNNMDCSA-N 2 2 334.891 3.304 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@H]3CCC[C@@H]32)cc1 ZINC000530217221 458720533 /nfs/dbraw/zinc/72/05/33/458720533.db2.gz SJNRGUQCOSCOSF-IVAOSVALSA-N 3 2 339.527 3.304 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@H]3CCC[C@@H]32)cc1 ZINC000530217221 458720539 /nfs/dbraw/zinc/72/05/39/458720539.db2.gz SJNRGUQCOSCOSF-IVAOSVALSA-N 3 2 339.527 3.304 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218312 458722212 /nfs/dbraw/zinc/72/22/12/458722212.db2.gz IPLXSDHNVFITNJ-LSDHHAIUSA-N 2 2 326.362 3.447 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241343 458728128 /nfs/dbraw/zinc/72/81/28/458728128.db2.gz CEHPTZKWIAGLDP-SJORKVTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000530241343 458728131 /nfs/dbraw/zinc/72/81/31/458728131.db2.gz CEHPTZKWIAGLDP-SJORKVTESA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245563 458729381 /nfs/dbraw/zinc/72/93/81/458729381.db2.gz ZDZHIBWMLHZLNE-PBHICJAKSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000530245563 458729385 /nfs/dbraw/zinc/72/93/85/458729385.db2.gz ZDZHIBWMLHZLNE-PBHICJAKSA-N 2 2 326.843 3.119 10 0 EGAELP CCN(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CCC(F)(F)F ZINC000494848475 458755233 /nfs/dbraw/zinc/75/52/33/458755233.db2.gz NOUFVTNSCMMGRF-UHFFFAOYSA-N 2 2 346.422 3.298 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958707 /nfs/dbraw/zinc/95/87/07/458958707.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958719 /nfs/dbraw/zinc/95/87/19/458958719.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958720 /nfs/dbraw/zinc/95/87/20/458958720.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958722 /nfs/dbraw/zinc/95/87/22/458958722.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 3 2 329.532 3.204 10 0 EGAELP CC[C@@H]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476118066 458980077 /nfs/dbraw/zinc/98/00/77/458980077.db2.gz AMVIJFCRXQCAEZ-RTBURBONSA-N 2 2 349.563 3.269 10 0 EGAELP Cc1ccccc1C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000590126301 459088322 /nfs/dbraw/zinc/08/83/22/459088322.db2.gz CNWZRJHXYJNZER-JOCHJYFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000590126301 459088325 /nfs/dbraw/zinc/08/83/25/459088325.db2.gz CNWZRJHXYJNZER-JOCHJYFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126301 459088328 /nfs/dbraw/zinc/08/83/28/459088328.db2.gz CNWZRJHXYJNZER-JOCHJYFZSA-N 2 2 338.495 3.452 10 0 EGAELP Cc1ccccc1C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126301 459088330 /nfs/dbraw/zinc/08/83/30/459088330.db2.gz CNWZRJHXYJNZER-JOCHJYFZSA-N 2 2 338.495 3.452 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567613960 459133895 /nfs/dbraw/zinc/13/38/95/459133895.db2.gz WOALSWXJXJCPEV-KKSFZXQISA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567613960 459133899 /nfs/dbraw/zinc/13/38/99/459133899.db2.gz WOALSWXJXJCPEV-KKSFZXQISA-N 2 2 343.515 3.214 10 0 EGAELP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCOC1 ZINC000479480858 459143442 /nfs/dbraw/zinc/14/34/42/459143442.db2.gz TZXVDPCTLOETBU-HOJRLLLISA-N 2 2 334.426 3.196 10 0 EGAELP COc1cc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2cc1F ZINC000480083062 459181373 /nfs/dbraw/zinc/18/13/73/459181373.db2.gz NFWVVINSQAKWFS-CYBMUJFWSA-N 2 2 338.386 3.468 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578359729 459187957 /nfs/dbraw/zinc/18/79/57/459187957.db2.gz ZYSZKLXGNZWVNC-IERDGZPVSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578359729 459187961 /nfs/dbraw/zinc/18/79/61/459187961.db2.gz ZYSZKLXGNZWVNC-IERDGZPVSA-N 2 2 337.467 3.242 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000594956824 459191546 /nfs/dbraw/zinc/19/15/46/459191546.db2.gz OHFWESAROIERII-NXWXRZEISA-N 2 2 341.455 3.028 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000595010488 459215110 /nfs/dbraw/zinc/21/51/10/459215110.db2.gz WVBPAYHRRQADEN-SJORKVTESA-N 2 2 346.515 3.391 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000595010488 459215118 /nfs/dbraw/zinc/21/51/18/459215118.db2.gz WVBPAYHRRQADEN-SJORKVTESA-N 2 2 346.515 3.391 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000595018876 459218468 /nfs/dbraw/zinc/21/84/68/459218468.db2.gz UAFQWMVAPNFZOG-INIZCTEOSA-N 2 2 347.503 3.004 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000595031610 459221650 /nfs/dbraw/zinc/22/16/50/459221650.db2.gz IKNVMKMNUASYBZ-AOIWGVFYSA-N 2 2 346.515 3.464 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000595031610 459221656 /nfs/dbraw/zinc/22/16/56/459221656.db2.gz IKNVMKMNUASYBZ-AOIWGVFYSA-N 2 2 346.515 3.464 10 0 EGAELP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819492 459233697 /nfs/dbraw/zinc/23/36/97/459233697.db2.gz POWRSGSQRJUJBZ-RTBURBONSA-N 2 2 344.499 3.414 10 0 EGAELP c1ccc2c(c1)OC[C@@H](C[N@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819492 459233702 /nfs/dbraw/zinc/23/37/02/459233702.db2.gz POWRSGSQRJUJBZ-RTBURBONSA-N 2 2 344.499 3.414 10 0 EGAELP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000578643056 459235773 /nfs/dbraw/zinc/23/57/73/459235773.db2.gz LGPDKLQUJUYEKW-HXUWFJFHSA-N 2 2 344.499 3.162 10 0 EGAELP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000578643056 459235774 /nfs/dbraw/zinc/23/57/74/459235774.db2.gz LGPDKLQUJUYEKW-HXUWFJFHSA-N 2 2 344.499 3.162 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255980 459299905 /nfs/dbraw/zinc/29/99/05/459299905.db2.gz GHNWIIBBROTUBP-MJGOQNOKSA-N 2 2 334.504 3.483 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000482255980 459299908 /nfs/dbraw/zinc/29/99/08/459299908.db2.gz GHNWIIBBROTUBP-MJGOQNOKSA-N 2 2 334.504 3.483 10 0 EGAELP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000561945624 459493857 /nfs/dbraw/zinc/49/38/57/459493857.db2.gz WZHYKZGSRIJTEH-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cn1 ZINC000561945624 459493865 /nfs/dbraw/zinc/49/38/65/459493865.db2.gz WZHYKZGSRIJTEH-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cn1 ZINC000561945624 459493872 /nfs/dbraw/zinc/49/38/72/459493872.db2.gz WZHYKZGSRIJTEH-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cn1 ZINC000561945624 459493880 /nfs/dbraw/zinc/49/38/80/459493880.db2.gz WZHYKZGSRIJTEH-QGZVFWFLSA-N 2 2 345.512 3.414 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cn3cccnc3n2)c(C)c1 ZINC000569761113 459505178 /nfs/dbraw/zinc/50/51/78/459505178.db2.gz VUGFSVUPHGXLRN-IBGZPJMESA-N 2 2 346.438 3.074 10 0 EGAELP Cc1nc(NCc2ccc(C[NH+]3CCCC3)cc2)c2c([nH+]1)CCCC2 ZINC000542021158 459521091 /nfs/dbraw/zinc/52/10/91/459521091.db2.gz AUOBFKUTIGQMAD-UHFFFAOYSA-N 2 2 336.483 3.294 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000592402478 459594328 /nfs/dbraw/zinc/59/43/28/459594328.db2.gz IKANWTQSDPYETH-WBVHZDCISA-N 2 2 345.487 3.150 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000543755063 459696325 /nfs/dbraw/zinc/69/63/25/459696325.db2.gz VHULRFQXEVTRES-RCCFBDPRSA-N 2 2 342.512 3.237 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000543755063 459696328 /nfs/dbraw/zinc/69/63/28/459696328.db2.gz VHULRFQXEVTRES-RCCFBDPRSA-N 2 2 342.512 3.237 10 0 EGAELP Cc1csc(C(C)(C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)n1 ZINC000544169966 459734603 /nfs/dbraw/zinc/73/46/03/459734603.db2.gz KUTCKWXHHWPTEY-UHFFFAOYSA-N 2 2 327.457 3.366 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527806443 459742893 /nfs/dbraw/zinc/74/28/93/459742893.db2.gz KQOSNBRDHOECNH-OAHLLOKOSA-N 2 2 346.425 3.461 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527806443 459742904 /nfs/dbraw/zinc/74/29/04/459742904.db2.gz KQOSNBRDHOECNH-OAHLLOKOSA-N 2 2 346.425 3.461 10 0 EGAELP Cn1c[nH+]c(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000527807128 459743845 /nfs/dbraw/zinc/74/38/45/459743845.db2.gz GQNSWVOOKUIQSE-OAHLLOKOSA-N 2 2 327.259 3.119 10 0 EGAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527810054 459745255 /nfs/dbraw/zinc/74/52/55/459745255.db2.gz UGJMQKAELJQERQ-FPOVZHCZSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810054 459745267 /nfs/dbraw/zinc/74/52/67/459745267.db2.gz UGJMQKAELJQERQ-FPOVZHCZSA-N 2 2 344.499 3.351 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861759 459760677 /nfs/dbraw/zinc/76/06/77/459760677.db2.gz ZJUFKZYPUYTXEG-CXAGYDPISA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861759 459760683 /nfs/dbraw/zinc/76/06/83/459760683.db2.gz ZJUFKZYPUYTXEG-CXAGYDPISA-N 2 2 326.843 3.167 10 0 EGAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949458 459780256 /nfs/dbraw/zinc/78/02/56/459780256.db2.gz NPYLZHVUMVRPQB-MJGOQNOKSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527949458 459780260 /nfs/dbraw/zinc/78/02/60/459780260.db2.gz NPYLZHVUMVRPQB-MJGOQNOKSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007070 459795290 /nfs/dbraw/zinc/79/52/90/459795290.db2.gz BEOIICFLJWYLNE-UWJYYQICSA-N 2 2 343.515 3.191 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000528007070 459795294 /nfs/dbraw/zinc/79/52/94/459795294.db2.gz BEOIICFLJWYLNE-UWJYYQICSA-N 2 2 343.515 3.191 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000597158391 459855874 /nfs/dbraw/zinc/85/58/74/459855874.db2.gz CGMNLVNMAAQYJM-SJORKVTESA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000597158391 459855879 /nfs/dbraw/zinc/85/58/79/459855879.db2.gz CGMNLVNMAAQYJM-SJORKVTESA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000597177761 459863915 /nfs/dbraw/zinc/86/39/15/459863915.db2.gz OPERUHNFNGQDKO-GOSISDBHSA-N 2 2 336.520 3.497 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000621719436 460023766 /nfs/dbraw/zinc/02/37/66/460023766.db2.gz NHLLZHWKPBAJQF-NQIIRXRSSA-N 2 2 349.482 3.405 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000621719436 460023771 /nfs/dbraw/zinc/02/37/71/460023771.db2.gz NHLLZHWKPBAJQF-NQIIRXRSSA-N 2 2 349.482 3.405 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000625260981 460095244 /nfs/dbraw/zinc/09/52/44/460095244.db2.gz FWPGETDXUZIBJE-IUODEOHRSA-N 2 2 335.249 3.124 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000625260981 460095247 /nfs/dbraw/zinc/09/52/47/460095247.db2.gz FWPGETDXUZIBJE-IUODEOHRSA-N 2 2 335.249 3.124 10 0 EGAELP COC(=O)C1C[C@H](C)[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000599697997 460314353 /nfs/dbraw/zinc/31/43/53/460314353.db2.gz TYTDIPZQZMCARN-HOTGVXAUSA-N 2 2 341.455 3.343 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000626089612 460367494 /nfs/dbraw/zinc/36/74/94/460367494.db2.gz XVTFTSXUMCQKNB-UHFFFAOYSA-N 2 2 334.529 3.485 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631663885 460497394 /nfs/dbraw/zinc/49/73/94/460497394.db2.gz QGRNFPYHZBTUNH-QGZVFWFLSA-N 2 2 328.859 3.365 10 0 EGAELP C[C@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)Cn1cc[nH+]c1 ZINC000623381518 460518356 /nfs/dbraw/zinc/51/83/56/460518356.db2.gz XPMKMYUNWNUDMG-GFCCVEGCSA-N 2 2 345.340 3.389 10 0 EGAELP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629395287 460748068 /nfs/dbraw/zinc/74/80/68/460748068.db2.gz ORZFYWUOXNHIJO-HNAYVOBHSA-N 2 2 326.488 3.087 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000629518147 460791496 /nfs/dbraw/zinc/79/14/96/460791496.db2.gz DQOYBHKYZWMLBG-HBGVWJBISA-N 2 2 349.478 3.114 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccc(F)cc2)cc1 ZINC000629522821 460793849 /nfs/dbraw/zinc/79/38/49/460793849.db2.gz BZDIYHKKAGPSDY-LJQANCHMSA-N 2 2 344.430 3.021 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@H](C[NH+]3CCCCC3)C1)nc1ccccc12 ZINC000624000344 460815294 /nfs/dbraw/zinc/81/52/94/460815294.db2.gz YALPQSFSEMGDNQ-MRXNPFEDSA-N 2 2 335.455 3.195 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1([NH+](C)C)CC1 ZINC000624001721 460816765 /nfs/dbraw/zinc/81/67/65/460816765.db2.gz KDOVTJJAVMDNMC-JTQLQIEISA-N 2 2 335.801 3.369 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629657484 460852516 /nfs/dbraw/zinc/85/25/16/460852516.db2.gz YKCOCNLJCYPQQY-CVEARBPZSA-N 2 2 342.405 3.435 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629657484 460852523 /nfs/dbraw/zinc/85/25/23/460852523.db2.gz YKCOCNLJCYPQQY-CVEARBPZSA-N 2 2 342.405 3.435 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660526 460853328 /nfs/dbraw/zinc/85/33/28/460853328.db2.gz VNGNINVHOZBBAZ-WBMJQRKESA-N 2 2 332.879 3.373 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629672593 460859954 /nfs/dbraw/zinc/85/99/54/460859954.db2.gz PPSQNVJCRONNJP-SCLBCKFNSA-N 2 2 343.858 3.432 10 0 EGAELP Cc1cccc(CCCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)[nH+]1 ZINC000624209582 460914459 /nfs/dbraw/zinc/91/44/59/460914459.db2.gz LBWBMRLKRRVETN-UHFFFAOYSA-N 2 2 345.450 3.167 10 0 EGAELP C[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+](C2CCC2)C1 ZINC000624240262 460925487 /nfs/dbraw/zinc/92/54/87/460925487.db2.gz DADCDHOGVJGXPN-OAHLLOKOSA-N 2 2 335.455 3.193 10 0 EGAELP C[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+](C2CCC2)C1 ZINC000624240262 460925491 /nfs/dbraw/zinc/92/54/91/460925491.db2.gz DADCDHOGVJGXPN-OAHLLOKOSA-N 2 2 335.455 3.193 10 0 EGAELP C[N@H+](C[C@]1(C)CCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157481 461022310 /nfs/dbraw/zinc/02/23/10/461022310.db2.gz IZKNTUVIOPSKRB-IBGZPJMESA-N 2 2 333.545 3.306 10 0 EGAELP C[N@@H+](C[C@]1(C)CCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157481 461022316 /nfs/dbraw/zinc/02/23/16/461022316.db2.gz IZKNTUVIOPSKRB-IBGZPJMESA-N 2 2 333.545 3.306 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000652344966 461140288 /nfs/dbraw/zinc/14/02/88/461140288.db2.gz BOUYQWRKFHNPPV-UHFFFAOYSA-N 2 2 349.862 3.195 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353358 461147768 /nfs/dbraw/zinc/14/77/68/461147768.db2.gz BLVBQNHGLTTWHJ-CRAIPNDOSA-N 2 2 331.504 3.199 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353358 461147778 /nfs/dbraw/zinc/14/77/78/461147778.db2.gz BLVBQNHGLTTWHJ-CRAIPNDOSA-N 2 2 331.504 3.199 10 0 EGAELP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662270980 461158127 /nfs/dbraw/zinc/15/81/27/461158127.db2.gz CYNMYXGVNMSUDG-SNVBAGLBSA-N 2 2 332.673 3.058 10 0 EGAELP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662270980 461158129 /nfs/dbraw/zinc/15/81/29/461158129.db2.gz CYNMYXGVNMSUDG-SNVBAGLBSA-N 2 2 332.673 3.058 10 0 EGAELP c1ccc(N2CC[C@H](C[N@@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637996001 461182531 /nfs/dbraw/zinc/18/25/31/461182531.db2.gz KYXBONGTKJJBJC-TZIWHRDSSA-N 2 2 327.516 3.463 10 0 EGAELP c1ccc(N2CC[C@H](C[N@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637996001 461182540 /nfs/dbraw/zinc/18/25/40/461182540.db2.gz KYXBONGTKJJBJC-TZIWHRDSSA-N 2 2 327.516 3.463 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326587 461194485 /nfs/dbraw/zinc/19/44/85/461194485.db2.gz WLWDRFFYAIRDIS-SFHVURJKSA-N 2 2 333.520 3.310 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326587 461194492 /nfs/dbraw/zinc/19/44/92/461194492.db2.gz WLWDRFFYAIRDIS-SFHVURJKSA-N 2 2 333.520 3.310 10 0 EGAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000659286927 461276664 /nfs/dbraw/zinc/27/66/64/461276664.db2.gz TWFFORBKGIIAFL-HNNXBMFYSA-N 2 2 349.818 3.218 10 0 EGAELP COc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1OCc1ccccc1 ZINC000668537920 461318149 /nfs/dbraw/zinc/31/81/49/461318149.db2.gz QAOLEIUUPJAXQX-UHFFFAOYSA-N 2 2 340.467 3.268 10 0 EGAELP COc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OCc1ccccc1 ZINC000668537920 461318159 /nfs/dbraw/zinc/31/81/59/461318159.db2.gz QAOLEIUUPJAXQX-UHFFFAOYSA-N 2 2 340.467 3.268 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CCCn4cc[nH+]c43)c2)C[C@@H](C)O1 ZINC000655744881 461411585 /nfs/dbraw/zinc/41/15/85/461411585.db2.gz WFQGEJZWHJGHDY-MDZRGWNJSA-N 2 2 340.471 3.439 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906692 461444233 /nfs/dbraw/zinc/44/42/33/461444233.db2.gz AMVMVWPGEXMOAY-SJCJKPOMSA-N 2 2 346.381 3.135 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906692 461444237 /nfs/dbraw/zinc/44/42/37/461444237.db2.gz AMVMVWPGEXMOAY-SJCJKPOMSA-N 2 2 346.381 3.135 10 0 EGAELP OCC1([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccncc2)CCC1 ZINC000668812893 461447233 /nfs/dbraw/zinc/44/72/33/461447233.db2.gz XCFONZGEGCSLES-FQEVSTJZSA-N 2 2 348.450 3.261 10 0 EGAELP Cc1[nH+]ccn1CCCN(C)c1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642209408 461469417 /nfs/dbraw/zinc/46/94/17/461469417.db2.gz WEGBTUMNPUYZHH-UHFFFAOYSA-N 2 2 338.390 3.282 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631045314 461497860 /nfs/dbraw/zinc/49/78/60/461497860.db2.gz VECWKYYKRARLQF-RYUDHWBXSA-N 2 2 344.684 3.214 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631045314 461497866 /nfs/dbraw/zinc/49/78/66/461497866.db2.gz VECWKYYKRARLQF-RYUDHWBXSA-N 2 2 344.684 3.214 10 0 EGAELP Nc1cccc2c1cc[nH+]c2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000663349621 461579373 /nfs/dbraw/zinc/57/93/73/461579373.db2.gz NCFWGMVCIGEIAI-UHFFFAOYSA-N 2 2 348.450 3.261 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cccc(Br)c2Cl)c1 ZINC000631155535 461597073 /nfs/dbraw/zinc/59/70/73/461597073.db2.gz DWGPOZNKDNTSTC-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000663393288 461614195 /nfs/dbraw/zinc/61/41/95/461614195.db2.gz JAJPZYLWIITYMX-INIZCTEOSA-N 2 2 341.455 3.317 10 0 EGAELP C[NH+]1CCC([C@@H]2CCN(c3[nH+]c(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631183599 461621839 /nfs/dbraw/zinc/62/18/39/461621839.db2.gz KBVBWHFIWHCFIK-OAHLLOKOSA-N 2 2 325.460 3.003 10 0 EGAELP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sn1 ZINC000660204371 461638243 /nfs/dbraw/zinc/63/82/43/461638243.db2.gz JTLZXRXCCNSMRD-GFCCVEGCSA-N 2 2 328.441 3.497 10 0 EGAELP COc1ccc(C(C)C)cc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000653593098 461746936 /nfs/dbraw/zinc/74/69/36/461746936.db2.gz GTJNTGMIUFPRDP-UHFFFAOYSA-N 2 2 347.547 3.276 10 0 EGAELP COc1ccc(C(C)C)cc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000653593098 461746943 /nfs/dbraw/zinc/74/69/43/461746943.db2.gz GTJNTGMIUFPRDP-UHFFFAOYSA-N 2 2 347.547 3.276 10 0 EGAELP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000647541475 461754129 /nfs/dbraw/zinc/75/41/29/461754129.db2.gz AEDFRCZAIAADFM-LJQANCHMSA-N 2 2 344.890 3.160 10 0 EGAELP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000647541475 461754138 /nfs/dbraw/zinc/75/41/38/461754138.db2.gz AEDFRCZAIAADFM-LJQANCHMSA-N 2 2 344.890 3.160 10 0 EGAELP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000669694769 461769881 /nfs/dbraw/zinc/76/98/81/461769881.db2.gz DPMLSCJJOUUTBT-INIZCTEOSA-N 2 2 340.471 3.393 10 0 EGAELP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000669694769 461769889 /nfs/dbraw/zinc/76/98/89/461769889.db2.gz DPMLSCJJOUUTBT-INIZCTEOSA-N 2 2 340.471 3.393 10 0 EGAELP c1cc(N[C@H]2CCC23CCC3)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000669703524 461772745 /nfs/dbraw/zinc/77/27/45/461772745.db2.gz RYKLWJXGBVGRDA-SFHVURJKSA-N 2 2 340.471 3.182 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3[nH]nc4ccccc43)C2)n2c1CCCC2 ZINC000669714394 461776131 /nfs/dbraw/zinc/77/61/31/461776131.db2.gz FBBQVANQTHZPAD-HNNXBMFYSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3[nH]nc4ccccc43)C2)n2c1CCCC2 ZINC000669714394 461776134 /nfs/dbraw/zinc/77/61/34/461776134.db2.gz FBBQVANQTHZPAD-HNNXBMFYSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3n[nH]c4ccccc43)C2)n2c1CCCC2 ZINC000669714394 461776136 /nfs/dbraw/zinc/77/61/36/461776136.db2.gz FBBQVANQTHZPAD-HNNXBMFYSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3n[nH]c4ccccc43)C2)n2c1CCCC2 ZINC000669714394 461776140 /nfs/dbraw/zinc/77/61/40/461776140.db2.gz FBBQVANQTHZPAD-HNNXBMFYSA-N 2 2 335.455 3.475 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000653661744 461792395 /nfs/dbraw/zinc/79/23/95/461792395.db2.gz AHRPPBWLZOGZDB-SFHVURJKSA-N 2 2 346.515 3.363 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000653661744 461792401 /nfs/dbraw/zinc/79/24/01/461792401.db2.gz AHRPPBWLZOGZDB-SFHVURJKSA-N 2 2 346.515 3.363 10 0 EGAELP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@H](C4CC[NH2+]CC4)C3)c21 ZINC000656607907 461803283 /nfs/dbraw/zinc/80/32/83/461803283.db2.gz BGJPEHJZVSZKBP-HNNXBMFYSA-N 2 2 335.455 3.327 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000669848531 461814485 /nfs/dbraw/zinc/81/44/85/461814485.db2.gz CCGDQKDNYNNWBE-NJYVYQBISA-N 2 2 328.500 3.182 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669848531 461814494 /nfs/dbraw/zinc/81/44/94/461814494.db2.gz CCGDQKDNYNNWBE-NJYVYQBISA-N 2 2 328.500 3.182 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)C[C@H]2C1 ZINC000643883531 461826418 /nfs/dbraw/zinc/82/64/18/461826418.db2.gz FKVMDIGWQCMZSN-YHDCXSKOSA-N 2 2 339.483 3.497 10 0 EGAELP Cc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000639329050 461863320 /nfs/dbraw/zinc/86/33/20/461863320.db2.gz KKUGRNHEOPPLBM-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000639329050 461863326 /nfs/dbraw/zinc/86/33/26/461863326.db2.gz KKUGRNHEOPPLBM-GOSISDBHSA-N 2 2 325.456 3.375 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899353 461874761 /nfs/dbraw/zinc/87/47/61/461874761.db2.gz HHWYGLPNJVKHSZ-CKEIUWERSA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899353 461874769 /nfs/dbraw/zinc/87/47/69/461874769.db2.gz HHWYGLPNJVKHSZ-CKEIUWERSA-N 2 2 335.879 3.131 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904075 461878390 /nfs/dbraw/zinc/87/83/90/461878390.db2.gz WDVBLUOTFRYNMT-KSSFIOAISA-N 2 2 346.425 3.115 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c(F)c1 ZINC000647904075 461878394 /nfs/dbraw/zinc/87/83/94/461878394.db2.gz WDVBLUOTFRYNMT-KSSFIOAISA-N 2 2 346.425 3.115 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)cn2)cc1 ZINC000656790289 461899996 /nfs/dbraw/zinc/89/99/96/461899996.db2.gz NUJIWXHQQRGQEQ-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000656790234 461900005 /nfs/dbraw/zinc/90/00/05/461900005.db2.gz LFOYTIDIUGYLOY-VXKWHMMOSA-N 2 2 347.462 3.479 10 0 EGAELP Fc1cccc(Cl)c1[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647997574 461929313 /nfs/dbraw/zinc/92/93/13/461929313.db2.gz PHTHKNURFAPSDO-CJNGLKHVSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647997574 461929317 /nfs/dbraw/zinc/92/93/17/461929317.db2.gz PHTHKNURFAPSDO-CJNGLKHVSA-N 2 2 326.843 3.242 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3nc(C4CCC4)no3)CC2)c[nH+]1 ZINC000639581468 462002074 /nfs/dbraw/zinc/00/20/74/462002074.db2.gz BPJIFAHFIPLMNV-UHFFFAOYSA-N 2 2 329.448 3.226 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@@H]1c1cccs1 ZINC000657375443 462081082 /nfs/dbraw/zinc/08/10/82/462081082.db2.gz ZGURRCKKWLHCNR-KBXCAEBGSA-N 2 2 330.501 3.064 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@@H]1c1cccs1 ZINC000657375443 462081089 /nfs/dbraw/zinc/08/10/89/462081089.db2.gz ZGURRCKKWLHCNR-KBXCAEBGSA-N 2 2 330.501 3.064 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000667549742 462137550 /nfs/dbraw/zinc/13/75/50/462137550.db2.gz VJNJFEGTUZGDCF-APWZRJJASA-N 2 2 326.488 3.386 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000667549742 462137557 /nfs/dbraw/zinc/13/75/57/462137557.db2.gz VJNJFEGTUZGDCF-APWZRJJASA-N 2 2 326.488 3.386 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccccc2)O1 ZINC000667557091 462141236 /nfs/dbraw/zinc/14/12/36/462141236.db2.gz NAUFMSOSIFLHCK-JXFKEZNVSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccccc2)O1 ZINC000667557091 462141241 /nfs/dbraw/zinc/14/12/41/462141241.db2.gz NAUFMSOSIFLHCK-JXFKEZNVSA-N 2 2 334.423 3.229 10 0 EGAELP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2cnn(C)c2)c1 ZINC000657527305 462167498 /nfs/dbraw/zinc/16/74/98/462167498.db2.gz SLOGVJAFZHUKKS-GOSISDBHSA-N 2 2 326.488 3.358 10 0 EGAELP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2cnn(C)c2)c1 ZINC000657527305 462167505 /nfs/dbraw/zinc/16/75/05/462167505.db2.gz SLOGVJAFZHUKKS-GOSISDBHSA-N 2 2 326.488 3.358 10 0 EGAELP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657527339 462167777 /nfs/dbraw/zinc/16/77/77/462167777.db2.gz TVPKXHIOZFDFQH-FQEVSTJZSA-N 2 2 347.522 3.295 10 0 EGAELP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657814236 462280498 /nfs/dbraw/zinc/28/04/98/462280498.db2.gz BBXFPMDAYDWYNC-PGRDOPGGSA-N 2 2 338.495 3.405 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2COC3(CCC3)C2)CCOCC1)c1ccccc1 ZINC000657889834 462308183 /nfs/dbraw/zinc/30/81/83/462308183.db2.gz QXZHCMKQBREEQH-HKUYNNGSSA-N 2 2 344.499 3.188 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000658012650 462346921 /nfs/dbraw/zinc/34/69/21/462346921.db2.gz HLNSPOQSPBCYIH-YYWHXJBOSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000658012650 462346924 /nfs/dbraw/zinc/34/69/24/462346924.db2.gz HLNSPOQSPBCYIH-YYWHXJBOSA-N 2 2 346.515 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000658054324 462359146 /nfs/dbraw/zinc/35/91/46/462359146.db2.gz DIUXNKSOXXQRDC-SJORKVTESA-N 2 2 331.504 3.483 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000658054324 462359152 /nfs/dbraw/zinc/35/91/52/462359152.db2.gz DIUXNKSOXXQRDC-SJORKVTESA-N 2 2 331.504 3.483 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2cnccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000665239423 462365139 /nfs/dbraw/zinc/36/51/39/462365139.db2.gz TVNWZAXGECILBU-UXHICEINSA-N 2 2 325.456 3.024 10 0 EGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000665250161 462368729 /nfs/dbraw/zinc/36/87/29/462368729.db2.gz JDTOMNKKPWZOJA-QFIXIFRTSA-N 2 2 349.478 3.368 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000665255006 462372238 /nfs/dbraw/zinc/37/22/38/462372238.db2.gz GGNWRTDGTCMYNM-YSSFQJQWSA-N 2 2 325.456 3.277 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102886 462384771 /nfs/dbraw/zinc/38/47/71/462384771.db2.gz RHYOEACBMHZZTD-IPFAQRCESA-N 2 2 337.471 3.069 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102886 462384778 /nfs/dbraw/zinc/38/47/78/462384778.db2.gz RHYOEACBMHZZTD-IPFAQRCESA-N 2 2 337.471 3.069 10 0 EGAELP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000651961993 462393906 /nfs/dbraw/zinc/39/39/06/462393906.db2.gz PRQCYYPYHRWKQK-HXUWFJFHSA-N 2 2 338.499 3.168 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000658228865 462435557 /nfs/dbraw/zinc/43/55/57/462435557.db2.gz XRAFLIXGZZDLPB-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000658228865 462435562 /nfs/dbraw/zinc/43/55/62/462435562.db2.gz XRAFLIXGZZDLPB-WBVHZDCISA-N 2 2 343.446 3.230 10 0 EGAELP CC(C)[C@H](O)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000658287474 462457996 /nfs/dbraw/zinc/45/79/96/462457996.db2.gz GVLFPUOHTRGQMX-SFTDATJTSA-N 2 2 339.483 3.398 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594214 469588555 /nfs/dbraw/zinc/58/85/55/469588555.db2.gz MGZDMDZVEMSEEF-FUHWJXTLSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C1CC1 ZINC000158921796 546932696 /nfs/dbraw/zinc/93/26/96/546932696.db2.gz XPSASMCERKKKGD-MRXNPFEDSA-N 2 2 345.535 3.398 10 0 EGAELP Cc1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C1CC1 ZINC000158921796 546932700 /nfs/dbraw/zinc/93/27/00/546932700.db2.gz XPSASMCERKKKGD-MRXNPFEDSA-N 2 2 345.535 3.398 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)CC1 ZINC000167161300 546991435 /nfs/dbraw/zinc/99/14/35/546991435.db2.gz SHLLRZWKTSVYEL-SFHVURJKSA-N 2 2 346.515 3.374 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC=C(c2ccccc2)C1 ZINC000671253231 548270506 /nfs/dbraw/zinc/27/05/06/548270506.db2.gz RBGMGCJHNKFMNO-QFIPXVFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC=C(c2ccccc2)C1 ZINC000671253231 548270508 /nfs/dbraw/zinc/27/05/08/548270508.db2.gz RBGMGCJHNKFMNO-QFIPXVFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000671253231 548270512 /nfs/dbraw/zinc/27/05/12/548270512.db2.gz RBGMGCJHNKFMNO-QFIPXVFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000671253231 548270515 /nfs/dbraw/zinc/27/05/15/548270515.db2.gz RBGMGCJHNKFMNO-QFIPXVFZSA-N 2 2 336.479 3.269 10 0 EGAELP Cc1[nH+]c2cc(CNC(=O)c3c[nH+]ccc3N(C)C)ccc2n1C1CC1 ZINC000673447886 548563426 /nfs/dbraw/zinc/56/34/26/548563426.db2.gz YJDVWJANSHWVJH-UHFFFAOYSA-N 2 2 349.438 3.071 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714640 548602910 /nfs/dbraw/zinc/60/29/10/548602910.db2.gz FEVBQJWZHFDJOI-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714640 548602915 /nfs/dbraw/zinc/60/29/15/548602915.db2.gz FEVBQJWZHFDJOI-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714640 548602919 /nfs/dbraw/zinc/60/29/19/548602919.db2.gz FEVBQJWZHFDJOI-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714640 548602924 /nfs/dbraw/zinc/60/29/24/548602924.db2.gz FEVBQJWZHFDJOI-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839287 548637379 /nfs/dbraw/zinc/63/73/79/548637379.db2.gz XVBDZWNVOHWFIK-KRWDZBQOSA-N 2 2 338.386 3.077 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839287 548637384 /nfs/dbraw/zinc/63/73/84/548637384.db2.gz XVBDZWNVOHWFIK-KRWDZBQOSA-N 2 2 338.386 3.077 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856741 548641575 /nfs/dbraw/zinc/64/15/75/548641575.db2.gz XKEVZRVAEWEYTB-CTNGQTDRSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856741 548641579 /nfs/dbraw/zinc/64/15/79/548641579.db2.gz XKEVZRVAEWEYTB-CTNGQTDRSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673856741 548641584 /nfs/dbraw/zinc/64/15/84/548641584.db2.gz XKEVZRVAEWEYTB-CTNGQTDRSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673856741 548641589 /nfs/dbraw/zinc/64/15/89/548641589.db2.gz XKEVZRVAEWEYTB-CTNGQTDRSA-N 2 2 341.499 3.045 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000675898290 548999824 /nfs/dbraw/zinc/99/98/24/548999824.db2.gz KWRWKWKHZLXQQM-DYESRHJHSA-N 2 2 342.458 3.422 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000675898290 548999825 /nfs/dbraw/zinc/99/98/25/548999825.db2.gz KWRWKWKHZLXQQM-DYESRHJHSA-N 2 2 342.458 3.422 10 0 EGAELP C[C@@H](CCc1ccco1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045788 549624960 /nfs/dbraw/zinc/62/49/60/549624960.db2.gz XFHASDMELOWXOI-RXVVDRJESA-N 2 2 342.483 3.217 10 0 EGAELP C[C@@H](CCc1ccco1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045788 549624963 /nfs/dbraw/zinc/62/49/63/549624963.db2.gz XFHASDMELOWXOI-RXVVDRJESA-N 2 2 342.483 3.217 10 0 EGAELP CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000682167422 550080972 /nfs/dbraw/zinc/08/09/72/550080972.db2.gz CZCTZIUKDOJTJR-AWEZNQCLSA-N 2 2 345.390 3.477 10 0 EGAELP CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000682167422 550080973 /nfs/dbraw/zinc/08/09/73/550080973.db2.gz CZCTZIUKDOJTJR-AWEZNQCLSA-N 2 2 345.390 3.477 10 0 EGAELP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000684366865 550320230 /nfs/dbraw/zinc/32/02/30/550320230.db2.gz CFXNUMWSYNGQHK-PZJWPPBQSA-N 2 2 345.531 3.054 10 0 EGAELP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000684776066 550367853 /nfs/dbraw/zinc/36/78/53/550367853.db2.gz CACIEDMMKVYZHX-QGZVFWFLSA-N 2 2 341.459 3.253 10 0 EGAELP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000684776066 550367855 /nfs/dbraw/zinc/36/78/55/550367855.db2.gz CACIEDMMKVYZHX-QGZVFWFLSA-N 2 2 341.459 3.253 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)[nH+]c12 ZINC000684928176 550385454 /nfs/dbraw/zinc/38/54/54/550385454.db2.gz SXJDIYZSVXCDEQ-FGTMMUONSA-N 2 2 327.472 3.370 10 0 EGAELP O=C(c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1)N1CCCC1 ZINC000735869527 575728691 /nfs/dbraw/zinc/72/86/91/575728691.db2.gz AYVAYOBPHSBJGY-UHFFFAOYSA-N 2 2 338.455 3.025 10 0 EGAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2[nH+]ccn2c1 ZINC000738947443 576370237 /nfs/dbraw/zinc/37/02/37/576370237.db2.gz BFNSOLZOZOEANK-UHFFFAOYSA-N 2 2 349.438 3.252 10 0 EGAELP FC(F)COc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000742369449 576774531 /nfs/dbraw/zinc/77/45/31/576774531.db2.gz WQYIGSJMTCDUOA-UHFFFAOYSA-N 2 2 344.365 3.201 10 0 EGAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000040593407 1291409931 /nfs/dbraw/zinc/40/99/31/1291409931.db2.gz OGDYTWWNBZIWJL-GFCCVEGCSA-N 2 2 336.277 3.362 10 0 EGAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000040593407 1291409935 /nfs/dbraw/zinc/40/99/35/1291409935.db2.gz OGDYTWWNBZIWJL-GFCCVEGCSA-N 2 2 336.277 3.362 10 0 EGAELP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000236766583 1296203370 /nfs/dbraw/zinc/20/33/70/1296203370.db2.gz AKUXIXFAKQDASV-HNNXBMFYSA-N 2 2 332.488 3.373 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150682 1296768626 /nfs/dbraw/zinc/76/86/26/1296768626.db2.gz ZMUQOEYXYQRKTC-UONOGXRCSA-N 2 2 329.410 3.336 10 0 EGAELP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150682 1296768634 /nfs/dbraw/zinc/76/86/34/1296768634.db2.gz ZMUQOEYXYQRKTC-UONOGXRCSA-N 2 2 329.410 3.336 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631242 /nfs/dbraw/zinc/63/12/42/1297631242.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631250 /nfs/dbraw/zinc/63/12/50/1297631250.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631257 /nfs/dbraw/zinc/63/12/57/1297631257.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631263 /nfs/dbraw/zinc/63/12/63/1297631263.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631266 /nfs/dbraw/zinc/63/12/66/1297631266.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 2 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631276 /nfs/dbraw/zinc/63/12/76/1297631276.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631288 /nfs/dbraw/zinc/63/12/88/1297631288.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631294 /nfs/dbraw/zinc/63/12/94/1297631294.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 2 2 329.532 3.361 10 0 EGAELP C[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261876 1301009837 /nfs/dbraw/zinc/00/98/37/1301009837.db2.gz ZITMSZTUBALQRD-SFHVURJKSA-N 2 2 347.466 3.037 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261876 1301009849 /nfs/dbraw/zinc/00/98/49/1301009849.db2.gz ZITMSZTUBALQRD-SFHVURJKSA-N 2 2 347.466 3.037 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886515382 1303483569 /nfs/dbraw/zinc/48/35/69/1303483569.db2.gz AZVIYOZOQNKICK-BBWFWOEESA-N 2 2 346.425 3.421 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886515382 1303483573 /nfs/dbraw/zinc/48/35/73/1303483573.db2.gz AZVIYOZOQNKICK-BBWFWOEESA-N 2 2 346.425 3.421 10 0 EGAELP CCc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000886530296 1303489797 /nfs/dbraw/zinc/48/97/97/1303489797.db2.gz HUGXMYLYZKOAHJ-UHOSZYNNSA-N 2 2 325.456 3.380 10 0 EGAELP CCc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000886530296 1303489801 /nfs/dbraw/zinc/48/98/01/1303489801.db2.gz HUGXMYLYZKOAHJ-UHOSZYNNSA-N 2 2 325.456 3.380 10 0 EGAELP CC[N@@H+](Cc1c(C)ccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075587 1306203436 /nfs/dbraw/zinc/20/34/36/1306203436.db2.gz FWGGSCJYDBQLMD-IBGZPJMESA-N 2 2 338.499 3.316 10 0 EGAELP CC[N@H+](Cc1c(C)ccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075587 1306203444 /nfs/dbraw/zinc/20/34/44/1306203444.db2.gz FWGGSCJYDBQLMD-IBGZPJMESA-N 2 2 338.499 3.316 10 0 EGAELP CC[NH+](Cc1c(C)ccnc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894075587 1306203452 /nfs/dbraw/zinc/20/34/52/1306203452.db2.gz FWGGSCJYDBQLMD-IBGZPJMESA-N 2 2 338.499 3.316 10 0 EGAELP CC[NH+](Cc1c(C)ccnc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894075587 1306203461 /nfs/dbraw/zinc/20/34/61/1306203461.db2.gz FWGGSCJYDBQLMD-IBGZPJMESA-N 2 2 338.499 3.316 10 0 EGAELP C[C@H]1C[N@H+](Cc2nc3c(s2)CCCC3)CCN1c1cc[nH+]cc1 ZINC000895557470 1309400400 /nfs/dbraw/zinc/40/04/00/1309400400.db2.gz RIBDOAJRSSNASY-AWEZNQCLSA-N 2 2 328.485 3.128 10 0 EGAELP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CCN1c1cc[nH+]cc1 ZINC000895557470 1309400405 /nfs/dbraw/zinc/40/04/05/1309400405.db2.gz RIBDOAJRSSNASY-AWEZNQCLSA-N 2 2 328.485 3.128 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250525 1310245461 /nfs/dbraw/zinc/24/54/61/1310245461.db2.gz JQBPHMFJZRCDFS-BBWFWOEESA-N 2 2 349.906 3.074 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250525 1310245468 /nfs/dbraw/zinc/24/54/68/1310245468.db2.gz JQBPHMFJZRCDFS-BBWFWOEESA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250525 1310245476 /nfs/dbraw/zinc/24/54/76/1310245476.db2.gz JQBPHMFJZRCDFS-BBWFWOEESA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000897250525 1310245484 /nfs/dbraw/zinc/24/54/84/1310245484.db2.gz JQBPHMFJZRCDFS-BBWFWOEESA-N 2 2 349.906 3.074 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CN1C(=O)OC(C)(C)C ZINC000858285525 1328729735 /nfs/dbraw/zinc/72/97/35/1328729735.db2.gz YOXMNOVPKBANMM-HOCLYGCPSA-N 2 2 348.491 3.025 10 0 EGAELP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1CC1CCC1 ZINC000924645977 1323090751 /nfs/dbraw/zinc/09/07/51/1323090751.db2.gz QCZLEFGCCWJJFS-OAHLLOKOSA-N 2 2 327.476 3.109 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925084790 1323273806 /nfs/dbraw/zinc/27/38/06/1323273806.db2.gz XJVGQBDWSXRPQG-VAMGGRTRSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925084790 1323273816 /nfs/dbraw/zinc/27/38/16/1323273816.db2.gz XJVGQBDWSXRPQG-VAMGGRTRSA-N 2 2 332.488 3.114 10 0 EGAELP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925093886 1323278613 /nfs/dbraw/zinc/27/86/13/1323278613.db2.gz MHEZYWHJDABBON-KDOFPFPSSA-N 2 2 349.906 3.203 10 0 EGAELP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285984 1329085965 /nfs/dbraw/zinc/08/59/65/1329085965.db2.gz QUECXGYVKHOLHT-KRWDZBQOSA-N 2 2 328.500 3.423 10 0 EGAELP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285984 1329085970 /nfs/dbraw/zinc/08/59/70/1329085970.db2.gz QUECXGYVKHOLHT-KRWDZBQOSA-N 2 2 328.500 3.423 10 0 EGAELP COc1cc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1OC(F)F ZINC000931309749 1329091340 /nfs/dbraw/zinc/09/13/40/1329091340.db2.gz SWYNTZGGPUKTFI-QZTJIDSGSA-N 2 2 340.414 3.070 10 0 EGAELP CCc1ccc2c(C[NH+]3CCC(C)([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000931352846 1329100447 /nfs/dbraw/zinc/10/04/47/1329100447.db2.gz ICTLVXFADVHDBH-UHFFFAOYSA-N 2 2 328.456 3.272 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000925157095 1325069110 /nfs/dbraw/zinc/06/91/10/1325069110.db2.gz NMGQGGAJCFIUFI-WOJBJXKFSA-N 2 2 342.462 3.160 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1 ZINC000925157095 1325069116 /nfs/dbraw/zinc/06/91/16/1325069116.db2.gz NMGQGGAJCFIUFI-WOJBJXKFSA-N 2 2 342.462 3.160 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925532500 1325195178 /nfs/dbraw/zinc/19/51/78/1325195178.db2.gz GVKJZVAMYZERCF-GVDBMIGSSA-N 2 2 330.451 3.144 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000925534922 1325196817 /nfs/dbraw/zinc/19/68/17/1325196817.db2.gz RLORQSIECKMXBS-IUODEOHRSA-N 2 2 339.277 3.091 10 0 EGAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925718410 1325267952 /nfs/dbraw/zinc/26/79/52/1325267952.db2.gz IICHQPZMWDXZCC-ZLGUVYLKSA-N 2 2 349.478 3.114 10 0 EGAELP COCCC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925780483 1325299067 /nfs/dbraw/zinc/29/90/67/1325299067.db2.gz ANMNAIDKAABCFM-UHOFOFEASA-N 2 2 341.293 3.114 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000925807045 1325310214 /nfs/dbraw/zinc/31/02/14/1325310214.db2.gz HSKNYPPQSUUHAS-SFHVURJKSA-N 2 2 345.466 3.183 10 0 EGAELP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1nc(Br)cs1 ZINC000925840392 1325324037 /nfs/dbraw/zinc/32/40/37/1325324037.db2.gz VWWNLBUUXBUFOS-GIPNMCIBSA-N 2 2 330.295 3.088 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925858917 1325334398 /nfs/dbraw/zinc/33/43/98/1325334398.db2.gz PCMCZABXNAQOTA-BBRMVZONSA-N 2 2 338.377 3.207 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905231 1325352430 /nfs/dbraw/zinc/35/24/30/1325352430.db2.gz DYRZTFHHROOUHE-RBUKOAKNSA-N 2 2 346.519 3.085 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C[C@H](C3CC3)[N@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217834 1325476945 /nfs/dbraw/zinc/47/69/45/1325476945.db2.gz WUEYMQMEHHZTCU-GXVGGZGZSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217834 1325476953 /nfs/dbraw/zinc/47/69/53/1325476953.db2.gz WUEYMQMEHHZTCU-GXVGGZGZSA-N 2 2 328.500 3.444 10 0 EGAELP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332385 1325518587 /nfs/dbraw/zinc/51/85/87/1325518587.db2.gz XMZAUDSNSJDQAC-BHUNQDJPSA-N 2 2 348.453 3.442 10 0 EGAELP c1ccc(SC2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000926719099 1327682517 /nfs/dbraw/zinc/68/25/17/1327682517.db2.gz QEZQQXBCHCPDOR-TVRKMHQQSA-N 2 2 332.513 3.153 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548476 1329562163 /nfs/dbraw/zinc/56/21/63/1329562163.db2.gz XQNXHFHXQOVGIA-UWVAXJGDSA-N 3 2 345.531 3.472 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865492754 1329705069 /nfs/dbraw/zinc/70/50/69/1329705069.db2.gz VDYWDAFIRBSLKF-LFUKPOHLSA-N 2 2 338.499 3.464 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865492754 1329705070 /nfs/dbraw/zinc/70/50/70/1329705070.db2.gz VDYWDAFIRBSLKF-LFUKPOHLSA-N 2 2 338.499 3.464 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1C ZINC000866705663 1330143135 /nfs/dbraw/zinc/14/31/35/1330143135.db2.gz GCRQBVFUABROMG-GOSISDBHSA-N 2 2 337.533 3.309 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1C ZINC000866705663 1330143138 /nfs/dbraw/zinc/14/31/38/1330143138.db2.gz GCRQBVFUABROMG-GOSISDBHSA-N 2 2 337.533 3.309 10 0 EGAELP Cc1[nH+]c([C@@H](N[C@H]2CCc3[nH+]ccn3C2)C(F)(F)F)c2ccccn12 ZINC000952877637 1334585759 /nfs/dbraw/zinc/58/57/59/1334585759.db2.gz SSIBYQPSRDDFTN-BLLLJJGKSA-N 2 2 349.360 3.047 10 0 EGAELP C[C@]1(CNC(=O)CCCn2cc[nH+]c2)CCC[N@H+](CC2CCCC2)C1 ZINC001324983841 1387871446 /nfs/dbraw/zinc/87/14/46/1387871446.db2.gz RLHHIDHCBDABDZ-HXUWFJFHSA-N 2 2 346.519 3.072 10 0 EGAELP C[C@]1(CNC(=O)CCCn2cc[nH+]c2)CCC[N@@H+](CC2CCCC2)C1 ZINC001324983841 1387871451 /nfs/dbraw/zinc/87/14/51/1387871451.db2.gz RLHHIDHCBDABDZ-HXUWFJFHSA-N 2 2 346.519 3.072 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC001198772034 1369109454 /nfs/dbraw/zinc/10/94/54/1369109454.db2.gz XNACQPSXWWDXOC-UHFFFAOYSA-N 2 2 339.418 3.125 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001325542057 1387999752 /nfs/dbraw/zinc/99/97/52/1387999752.db2.gz HIEYILVXHOZHHD-QAPCUYQASA-N 2 2 349.494 3.444 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)n1cc[nH+]c1 ZINC001326712870 1388287115 /nfs/dbraw/zinc/28/71/15/1388287115.db2.gz FKPXJEMJWNQNBF-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331928 1377550838 /nfs/dbraw/zinc/55/08/38/1377550838.db2.gz PKVODUNPKLCCKM-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001269331928 1377550840 /nfs/dbraw/zinc/55/08/40/1377550840.db2.gz PKVODUNPKLCCKM-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327455692 1388524263 /nfs/dbraw/zinc/52/42/63/1388524263.db2.gz QZOMQBUPLNRWNT-MBZYTVFJSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327455692 1388524266 /nfs/dbraw/zinc/52/42/66/1388524266.db2.gz QZOMQBUPLNRWNT-MBZYTVFJSA-N 2 2 344.503 3.230 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691765 1379120865 /nfs/dbraw/zinc/12/08/65/1379120865.db2.gz NADWSGAPLKRYLC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691765 1379120867 /nfs/dbraw/zinc/12/08/67/1379120867.db2.gz NADWSGAPLKRYLC-CVEARBPZSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C ZINC001284558181 1379967652 /nfs/dbraw/zinc/96/76/52/1379967652.db2.gz JZRJJYVVLVASQI-UHFFFAOYSA-N 2 2 348.535 3.400 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)CC1CCCCCC1)C(C)C ZINC001284558181 1379967656 /nfs/dbraw/zinc/96/76/56/1379967656.db2.gz JZRJJYVVLVASQI-UHFFFAOYSA-N 2 2 348.535 3.400 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284596624 1379997534 /nfs/dbraw/zinc/99/75/34/1379997534.db2.gz ACDNRHGSEVOCAU-GOSISDBHSA-N 2 2 348.535 3.433 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284596624 1379997537 /nfs/dbraw/zinc/99/75/37/1379997537.db2.gz ACDNRHGSEVOCAU-GOSISDBHSA-N 2 2 348.535 3.433 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001284604266 1380004519 /nfs/dbraw/zinc/00/45/19/1380004519.db2.gz PDYCSMTTXOMUPA-QGZVFWFLSA-N 2 2 328.460 3.263 10 0 EGAELP CCOC(=O)CCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009030 1384073937 /nfs/dbraw/zinc/07/39/37/1384073937.db2.gz OVZAXMVVHXGWNP-OYRHEFFESA-N 2 2 344.499 3.174 10 0 EGAELP CCOC(=O)CCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009030 1384073941 /nfs/dbraw/zinc/07/39/41/1384073941.db2.gz OVZAXMVVHXGWNP-OYRHEFFESA-N 2 2 344.499 3.174 10 0 EGAELP CCOC(=O)CCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009030 1384073945 /nfs/dbraw/zinc/07/39/45/1384073945.db2.gz OVZAXMVVHXGWNP-OYRHEFFESA-N 2 2 344.499 3.174 10 0 EGAELP CCOC(=O)CCC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009030 1384073947 /nfs/dbraw/zinc/07/39/47/1384073947.db2.gz OVZAXMVVHXGWNP-OYRHEFFESA-N 2 2 344.499 3.174 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316877246 1384661221 /nfs/dbraw/zinc/66/12/21/1384661221.db2.gz DVPSANVRUXWPPS-UCHJRYNZSA-N 2 2 346.519 3.068 10 0 EGAELP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317424226 1385130924 /nfs/dbraw/zinc/13/09/24/1385130924.db2.gz SLANKRBRDMLQKY-GOSISDBHSA-N 2 2 342.487 3.417 10 0 EGAELP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317424226 1385130925 /nfs/dbraw/zinc/13/09/25/1385130925.db2.gz SLANKRBRDMLQKY-GOSISDBHSA-N 2 2 342.487 3.417 10 0 EGAELP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001317482335 1385179182 /nfs/dbraw/zinc/17/91/82/1385179182.db2.gz QVQYCSFJRWHFEF-HXUWFJFHSA-N 2 2 348.450 3.302 10 0 EGAELP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001317482335 1385179184 /nfs/dbraw/zinc/17/91/84/1385179184.db2.gz QVQYCSFJRWHFEF-HXUWFJFHSA-N 2 2 348.450 3.302 10 0 EGAELP O=C(NCC[N@H+](CC1=CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001317556078 1385325539 /nfs/dbraw/zinc/32/55/39/1385325539.db2.gz YIBOTNQAAPRTAH-UHFFFAOYSA-N 2 2 338.455 3.029 10 0 EGAELP O=C(NCC[N@@H+](CC1=CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001317556078 1385325545 /nfs/dbraw/zinc/32/55/45/1385325545.db2.gz YIBOTNQAAPRTAH-UHFFFAOYSA-N 2 2 338.455 3.029 10 0 EGAELP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385042 1386094694 /nfs/dbraw/zinc/09/46/94/1386094694.db2.gz YXWSCVKTEXBMDN-CEWLAPEOSA-N 3 2 329.532 3.219 10 0 EGAELP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385042 1386094695 /nfs/dbraw/zinc/09/46/95/1386094695.db2.gz YXWSCVKTEXBMDN-CEWLAPEOSA-N 3 2 329.532 3.219 10 0 EGAELP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385042 1386094700 /nfs/dbraw/zinc/09/47/00/1386094700.db2.gz YXWSCVKTEXBMDN-CEWLAPEOSA-N 3 2 329.532 3.219 10 0 EGAELP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385042 1386094704 /nfs/dbraw/zinc/09/47/04/1386094704.db2.gz YXWSCVKTEXBMDN-CEWLAPEOSA-N 3 2 329.532 3.219 10 0 EGAELP CC1CCC(C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCC2)CC1 ZINC001698632761 1406277048 /nfs/dbraw/zinc/27/70/48/1406277048.db2.gz WMTKPUOBGUVHEB-UHFFFAOYSA-N 2 2 346.519 3.118 10 0 EGAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001319698654 1386258719 /nfs/dbraw/zinc/25/87/19/1386258719.db2.gz TYGUTMOOWGCPEA-IAGOWNOFSA-N 2 2 348.535 3.006 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CCC2CCCC2)C(C)C)c[nH+]1 ZINC001319921021 1386392694 /nfs/dbraw/zinc/39/26/94/1386392694.db2.gz AVMMHPTUGMRYDV-SFHVURJKSA-N 2 2 348.535 3.237 10 0 EGAELP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccsc1 ZINC001319923059 1386394675 /nfs/dbraw/zinc/39/46/75/1386394675.db2.gz XBUMGCUZIQLOQD-KRWDZBQOSA-N 2 2 342.468 3.169 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001698670673 1406320501 /nfs/dbraw/zinc/32/05/01/1406320501.db2.gz APIZJZASIZNHHR-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001698693937 1406337975 /nfs/dbraw/zinc/33/79/75/1406337975.db2.gz KMKZDKIBGMGPQA-BHQIHCQQSA-N 2 2 346.862 3.147 10 0 EGAELP CCCC[C@@H](C[NH2+]C/C=C/Cl)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875672 1389241731 /nfs/dbraw/zinc/24/17/31/1389241731.db2.gz KVVZKPXPROHVKQ-WHWKNOJMSA-N 2 2 348.878 3.273 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001331615700 1389829967 /nfs/dbraw/zinc/82/99/67/1389829967.db2.gz MBBQGRUFSKGDIL-UONOGXRCSA-N 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CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001700294305 1413753625 /nfs/dbraw/zinc/75/36/25/1413753625.db2.gz PYKCXNIAJSSGID-LKGOPFMKSA-N 2 2 346.519 3.224 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358883 1413867558 /nfs/dbraw/zinc/86/75/58/1413867558.db2.gz BFXRDZFBMYDAIZ-DLBZAZTESA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358883 1413867563 /nfs/dbraw/zinc/86/75/63/1413867563.db2.gz BFXRDZFBMYDAIZ-DLBZAZTESA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001700430550 1413991076 /nfs/dbraw/zinc/99/10/76/1413991076.db2.gz MGVUUGFXZIHMND-DLBZAZTESA-N 2 2 348.535 3.363 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463187 1414065653 /nfs/dbraw/zinc/06/56/53/1414065653.db2.gz FHNNLAOVNMJLSI-SJLPKXTDSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001700463187 1414065659 /nfs/dbraw/zinc/06/56/59/1414065659.db2.gz FHNNLAOVNMJLSI-SJLPKXTDSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](CCC[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001700692273 1414344870 /nfs/dbraw/zinc/34/48/70/1414344870.db2.gz ZGBKECIRKOFERD-HUUCEWRRSA-N 2 2 348.878 3.172 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001700838299 1414488892 /nfs/dbraw/zinc/48/88/92/1414488892.db2.gz SWTDBSKQWTXRLP-HLJKATFASA-N 2 2 340.471 3.192 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001700852958 1414500216 /nfs/dbraw/zinc/50/02/16/1414500216.db2.gz DRDIKECTGFZNDU-IEBWSBKVSA-N 2 2 346.519 3.213 10 0 EGAELP CCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001700892940 1414551330 /nfs/dbraw/zinc/55/13/30/1414551330.db2.gz WTOBGPDUNUKPTG-SJLPKXTDSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732614530 1428877579 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MEXQPUQPDXZTGZ-VGOKWCNXSA-N 2 2 340.471 3.030 10 0 EGAELP CC/C=C\CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001707144765 1417221341 /nfs/dbraw/zinc/22/13/41/1417221341.db2.gz UPEFCUDOMULPBI-FOVLHFFESA-N 2 2 346.519 3.224 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001707233769 1417255137 /nfs/dbraw/zinc/25/51/37/1417255137.db2.gz KCEMNTYRUDZHDB-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707384764 1417305528 /nfs/dbraw/zinc/30/55/28/1417305528.db2.gz FFOJPBOCZLENPF-HNNXBMFYSA-N 2 2 336.439 3.376 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707384764 1417305531 /nfs/dbraw/zinc/30/55/31/1417305531.db2.gz FFOJPBOCZLENPF-HNNXBMFYSA-N 2 2 336.439 3.376 10 0 EGAELP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001707445814 1417350153 /nfs/dbraw/zinc/35/01/53/1417350153.db2.gz UVEPMPKIBQKZRF-IRXDYDNUSA-N 2 2 342.487 3.353 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001712999601 1417552225 /nfs/dbraw/zinc/55/22/25/1417552225.db2.gz NRSZXJQSJFWSJC-APWZRJJASA-N 2 2 346.519 3.282 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254229 1417850095 /nfs/dbraw/zinc/85/00/95/1417850095.db2.gz YYQYBYOMJHLHQZ-DKFQHHCZSA-N 2 2 346.519 3.254 10 0 EGAELP CC/C=C/CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713254229 1417850101 /nfs/dbraw/zinc/85/01/01/1417850101.db2.gz YYQYBYOMJHLHQZ-DKFQHHCZSA-N 2 2 346.519 3.254 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713355995 1417972583 /nfs/dbraw/zinc/97/25/83/1417972583.db2.gz UFMZVSDIEUFRJF-DLBZAZTESA-N 2 2 334.508 3.099 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713355998 1417972727 /nfs/dbraw/zinc/97/27/27/1417972727.db2.gz UFMZVSDIEUFRJF-SJORKVTESA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733076726 1429231185 /nfs/dbraw/zinc/23/11/85/1429231185.db2.gz HKQULGPACKMCGW-DOTOQJQBSA-N 2 2 334.508 3.043 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001733170376 1429272851 /nfs/dbraw/zinc/27/28/51/1429272851.db2.gz GWNOMDCUGLWABS-SHCNBLLESA-N 2 2 340.471 3.097 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001714046988 1418843246 /nfs/dbraw/zinc/84/32/46/1418843246.db2.gz QDCSJTMFNLZQNT-NVXWUHKLSA-N 2 2 346.500 3.019 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001714046988 1418843249 /nfs/dbraw/zinc/84/32/49/1418843249.db2.gz QDCSJTMFNLZQNT-NVXWUHKLSA-N 2 2 346.500 3.019 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001714085270 1418878631 /nfs/dbraw/zinc/87/86/31/1418878631.db2.gz SVILSKAXJBQDDQ-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001714085270 1418878632 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/nfs/dbraw/zinc/07/88/05/1428078805.db2.gz QBIABGLJROXTKJ-BDUNBXCCSA-N 2 2 340.471 3.132 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850771 1428078808 /nfs/dbraw/zinc/07/88/08/1428078808.db2.gz QBIABGLJROXTKJ-BDUNBXCCSA-N 2 2 340.471 3.132 10 0 EGAELP C[C@@H](CC(=O)N(C)CCC[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001733778853 1430035566 /nfs/dbraw/zinc/03/55/66/1430035566.db2.gz OWFQYCYMLUERNS-KRWDZBQOSA-N 2 2 332.492 3.115 10 0 EGAELP C[C@@H](CC(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001733778853 1430035573 /nfs/dbraw/zinc/03/55/73/1430035573.db2.gz OWFQYCYMLUERNS-KRWDZBQOSA-N 2 2 332.492 3.115 10 0 EGAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001733985697 1437782033 /nfs/dbraw/zinc/78/20/33/1437782033.db2.gz PSWNWZWJKOEIKH-IRXDYDNUSA-N 2 2 334.508 3.117 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001734060465 1437853922 /nfs/dbraw/zinc/85/39/22/1437853922.db2.gz URRIQRWEJLGHJG-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001734060465 1437853924 /nfs/dbraw/zinc/85/39/24/1437853924.db2.gz URRIQRWEJLGHJG-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106629 1437892672 /nfs/dbraw/zinc/89/26/72/1437892672.db2.gz RTZUFGYKYYTZES-DUMMIQTOSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106629 1437892674 /nfs/dbraw/zinc/89/26/74/1437892674.db2.gz RTZUFGYKYYTZES-DUMMIQTOSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151209 1437919179 /nfs/dbraw/zinc/91/91/79/1437919179.db2.gz ZDTLMXFKPYDJHW-YHLLGKTKSA-N 2 2 332.492 3.017 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151209 1437919180 /nfs/dbraw/zinc/91/91/80/1437919180.db2.gz ZDTLMXFKPYDJHW-YHLLGKTKSA-N 2 2 332.492 3.017 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001734324343 1438050133 /nfs/dbraw/zinc/05/01/33/1438050133.db2.gz WZSHEMAXHKNPQM-HNNXBMFYSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCCC(C)C)[C@@H]3C)ccn12 ZINC001734392052 1438079319 /nfs/dbraw/zinc/07/93/19/1438079319.db2.gz OWXIMYCPVPTTMQ-FUHWJXTLSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001734550991 1438148556 /nfs/dbraw/zinc/14/85/56/1438148556.db2.gz MPTITLAFZHTUFI-HNNXBMFYSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001734550991 1438148558 /nfs/dbraw/zinc/14/85/58/1438148558.db2.gz MPTITLAFZHTUFI-HNNXBMFYSA-N 2 2 346.450 3.021 10 0 EGAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001734601510 1438183254 /nfs/dbraw/zinc/18/32/54/1438183254.db2.gz OTFULCTVMGNTOB-UHFFFAOYSA-N 2 2 346.519 3.237 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368099888 168310547 /nfs/dbraw/zinc/31/05/47/168310547.db2.gz GLQDEMSBZAOAFH-GHMZBOCLSA-N 2 2 335.835 3.288 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368099888 168310549 /nfs/dbraw/zinc/31/05/49/168310549.db2.gz GLQDEMSBZAOAFH-GHMZBOCLSA-N 2 2 335.835 3.288 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101735 168311838 /nfs/dbraw/zinc/31/18/38/168311838.db2.gz KZMQENHFTAPFKD-SJCJKPOMSA-N 2 2 326.400 3.101 10 0 EGAELP CC(C)[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000368101735 168311840 /nfs/dbraw/zinc/31/18/40/168311840.db2.gz KZMQENHFTAPFKD-SJCJKPOMSA-N 2 2 326.400 3.101 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCC ZINC000368103796 168312081 /nfs/dbraw/zinc/31/20/81/168312081.db2.gz YSKQRMMNSHPTQH-HIFRSBDPSA-N 2 2 329.444 3.415 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCC ZINC000368103796 168312083 /nfs/dbraw/zinc/31/20/83/168312083.db2.gz YSKQRMMNSHPTQH-HIFRSBDPSA-N 2 2 329.444 3.415 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174229596 231155001 /nfs/dbraw/zinc/15/50/01/231155001.db2.gz LMKBRFKXYLGIPM-MSOLQXFVSA-N 2 2 329.488 3.271 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174229596 231155005 /nfs/dbraw/zinc/15/50/05/231155005.db2.gz LMKBRFKXYLGIPM-MSOLQXFVSA-N 2 2 329.488 3.271 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174229596 231155008 /nfs/dbraw/zinc/15/50/08/231155008.db2.gz LMKBRFKXYLGIPM-MSOLQXFVSA-N 2 2 329.488 3.271 10 0 EGAELP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174229596 231155011 /nfs/dbraw/zinc/15/50/11/231155011.db2.gz LMKBRFKXYLGIPM-MSOLQXFVSA-N 2 2 329.488 3.271 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181304635 529761459 /nfs/dbraw/zinc/76/14/59/529761459.db2.gz MAXWKSWUZWHIQC-INIZCTEOSA-N 2 2 340.475 3.086 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181304635 529761460 /nfs/dbraw/zinc/76/14/60/529761460.db2.gz MAXWKSWUZWHIQC-INIZCTEOSA-N 2 2 340.475 3.086 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000171613508 529760767 /nfs/dbraw/zinc/76/07/67/529760767.db2.gz BPEDDXDQPUCSKY-CYBMUJFWSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000171613508 529760768 /nfs/dbraw/zinc/76/07/68/529760768.db2.gz BPEDDXDQPUCSKY-CYBMUJFWSA-N 2 2 343.456 3.394 10 0 EGAELP Cc1[nH]c2ccc(NC(=O)c3cccc(C[NH+]4CC=CC4)c3)cc2[nH+]1 ZINC000101980996 219177271 /nfs/dbraw/zinc/17/72/71/219177271.db2.gz BVQISWRMWFPNAX-UHFFFAOYSA-N 2 2 332.407 3.495 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916108 213173297 /nfs/dbraw/zinc/17/32/97/213173297.db2.gz ORIDCOAQZJLVPY-FZMZJTMJSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916108 213173300 /nfs/dbraw/zinc/17/33/00/213173300.db2.gz ORIDCOAQZJLVPY-FZMZJTMJSA-N 2 2 329.307 3.475 10 0 EGAELP c1cn(-c2ccccc2)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000191304844 239028152 /nfs/dbraw/zinc/02/81/52/239028152.db2.gz QUAQDZNPSZACJC-KRWDZBQOSA-N 2 2 333.439 3.201 10 0 EGAELP c1cn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000191304844 239028160 /nfs/dbraw/zinc/02/81/60/239028160.db2.gz QUAQDZNPSZACJC-KRWDZBQOSA-N 2 2 333.439 3.201 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848086 242206948 /nfs/dbraw/zinc/20/69/48/242206948.db2.gz ZARNYNFZPXAAET-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848086 242206952 /nfs/dbraw/zinc/20/69/52/242206952.db2.gz ZARNYNFZPXAAET-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848086 242206955 /nfs/dbraw/zinc/20/69/55/242206955.db2.gz ZARNYNFZPXAAET-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000229848086 242206962 /nfs/dbraw/zinc/20/69/62/242206962.db2.gz ZARNYNFZPXAAET-XJKSGUPXSA-N 2 2 332.423 3.038 10 0 EGAELP Cc1cccn2cc(COc3ccc(C[NH2+]CC[C@@H](C)O)cc3)[nH+]c12 ZINC000265115909 247217347 /nfs/dbraw/zinc/21/73/47/247217347.db2.gz CCVXCUZBGUBAIN-MRXNPFEDSA-N 2 2 339.439 3.082 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812762 218170097 /nfs/dbraw/zinc/17/00/97/218170097.db2.gz DJNPGCAATPWBEG-INIZCTEOSA-N 2 2 327.428 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812762 218170100 /nfs/dbraw/zinc/17/01/00/218170100.db2.gz DJNPGCAATPWBEG-INIZCTEOSA-N 2 2 327.428 3.033 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000093318703 218214137 /nfs/dbraw/zinc/21/41/37/218214137.db2.gz XUQQMILYKITQNI-OXJNMPFZSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000093318703 218214140 /nfs/dbraw/zinc/21/41/40/218214140.db2.gz XUQQMILYKITQNI-OXJNMPFZSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000093318703 218214142 /nfs/dbraw/zinc/21/41/42/218214142.db2.gz XUQQMILYKITQNI-OXJNMPFZSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000093318703 218214147 /nfs/dbraw/zinc/21/41/47/218214147.db2.gz XUQQMILYKITQNI-OXJNMPFZSA-N 2 2 326.488 3.071 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639062 218237166 /nfs/dbraw/zinc/23/71/66/218237166.db2.gz UAOQNXCFXRPAAH-UKRRQHHQSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639062 218237168 /nfs/dbraw/zinc/23/71/68/218237168.db2.gz UAOQNXCFXRPAAH-UKRRQHHQSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639062 218237170 /nfs/dbraw/zinc/23/71/70/218237170.db2.gz UAOQNXCFXRPAAH-UKRRQHHQSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639062 218237171 /nfs/dbraw/zinc/23/71/71/218237171.db2.gz UAOQNXCFXRPAAH-UKRRQHHQSA-N 2 2 342.430 3.459 10 0 EGAELP C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211313 220261192 /nfs/dbraw/zinc/26/11/92/220261192.db2.gz IXKNJNXBRDCNQV-OAHLLOKOSA-N 2 2 326.400 3.042 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419943 218360513 /nfs/dbraw/zinc/36/05/13/218360513.db2.gz ZAEUEKIXCOSVIT-CQSZACIVSA-N 2 2 340.402 3.023 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268795978 252248526 /nfs/dbraw/zinc/24/85/26/252248526.db2.gz ZXSZMFQSXBVRKI-LPHOPBHVSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268795978 252248530 /nfs/dbraw/zinc/24/85/30/252248530.db2.gz ZXSZMFQSXBVRKI-LPHOPBHVSA-N 2 2 325.456 3.090 10 0 EGAELP CCc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632599 258028106 /nfs/dbraw/zinc/02/81/06/258028106.db2.gz LLEQSXZJWZRILN-LPHOPBHVSA-N 2 2 328.460 3.065 10 0 EGAELP CCc1noc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632599 258028108 /nfs/dbraw/zinc/02/81/08/258028108.db2.gz LLEQSXZJWZRILN-LPHOPBHVSA-N 2 2 328.460 3.065 10 0 EGAELP CCc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328632599 258028110 /nfs/dbraw/zinc/02/81/10/258028110.db2.gz LLEQSXZJWZRILN-LPHOPBHVSA-N 2 2 328.460 3.065 10 0 EGAELP CCc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328632599 258028112 /nfs/dbraw/zinc/02/81/12/258028112.db2.gz LLEQSXZJWZRILN-LPHOPBHVSA-N 2 2 328.460 3.065 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246850097 141039036 /nfs/dbraw/zinc/03/90/36/141039036.db2.gz BZAOOGBQEFFYOO-DABHTEOTSA-N 2 2 343.515 3.085 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246850097 141039039 /nfs/dbraw/zinc/03/90/39/141039039.db2.gz BZAOOGBQEFFYOO-DABHTEOTSA-N 2 2 343.515 3.085 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246877695 141040648 /nfs/dbraw/zinc/04/06/48/141040648.db2.gz CXJMTFKPQMPZLJ-HRCADAONSA-N 2 2 347.528 3.489 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246877695 141040649 /nfs/dbraw/zinc/04/06/49/141040649.db2.gz CXJMTFKPQMPZLJ-HRCADAONSA-N 2 2 347.528 3.489 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000121759903 152369093 /nfs/dbraw/zinc/36/90/93/152369093.db2.gz WHIRTLLMIXHDPW-UHFFFAOYSA-N 2 2 343.862 3.176 10 0 EGAELP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000189372518 153066771 /nfs/dbraw/zinc/06/67/71/153066771.db2.gz BKGIBEJZPXBPJD-HXUWFJFHSA-N 2 2 337.467 3.468 10 0 EGAELP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000190753479 153157526 /nfs/dbraw/zinc/15/75/26/153157526.db2.gz RZJFRZQAVKRRGN-UHFFFAOYSA-N 2 2 349.482 3.461 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000190998256 153171453 /nfs/dbraw/zinc/17/14/53/153171453.db2.gz JSDYMRCLRNKDQT-MRXNPFEDSA-N 2 2 339.886 3.081 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000190998256 153171457 /nfs/dbraw/zinc/17/14/57/153171457.db2.gz JSDYMRCLRNKDQT-MRXNPFEDSA-N 2 2 339.886 3.081 10 0 EGAELP CO[C@@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000345483835 156125751 /nfs/dbraw/zinc/12/57/51/156125751.db2.gz MFICCNSQHPBLKG-DOMZBBRYSA-N 2 2 327.350 3.490 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)[nH+]1 ZINC000362085077 157014824 /nfs/dbraw/zinc/01/48/24/157014824.db2.gz FZBWAGNJBSCCEZ-LJQANCHMSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)[nH+]1 ZINC000362085077 157014827 /nfs/dbraw/zinc/01/48/27/157014827.db2.gz FZBWAGNJBSCCEZ-LJQANCHMSA-N 2 2 348.454 3.047 10 0 EGAELP Cc1csc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000368707889 157271031 /nfs/dbraw/zinc/27/10/31/157271031.db2.gz PZSQOPHPNPJGTL-UHFFFAOYSA-N 2 2 327.457 3.176 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@H](C)C1 ZINC000093638661 162017093 /nfs/dbraw/zinc/01/70/93/162017093.db2.gz QKDABRHALNWBEA-CLCXKQKWSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@H](C)C1 ZINC000093638661 162017096 /nfs/dbraw/zinc/01/70/96/162017096.db2.gz QKDABRHALNWBEA-CLCXKQKWSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@H](C)C1 ZINC000093638661 162017097 /nfs/dbraw/zinc/01/70/97/162017097.db2.gz QKDABRHALNWBEA-CLCXKQKWSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@H](C)C1 ZINC000093638661 162017101 /nfs/dbraw/zinc/01/71/01/162017101.db2.gz QKDABRHALNWBEA-CLCXKQKWSA-N 2 2 332.488 3.181 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000113500056 162210288 /nfs/dbraw/zinc/21/02/88/162210288.db2.gz LBPHRSKLUAUPDP-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000248564515 163015036 /nfs/dbraw/zinc/01/50/36/163015036.db2.gz OGGUPHAYAGJDGV-CXAGYDPISA-N 2 2 333.382 3.317 10 0 EGAELP C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000248564515 163015037 /nfs/dbraw/zinc/01/50/37/163015037.db2.gz OGGUPHAYAGJDGV-CXAGYDPISA-N 2 2 333.382 3.317 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000346142293 164347830 /nfs/dbraw/zinc/34/78/30/164347830.db2.gz AHKLDGKDJBVJEG-UHFFFAOYSA-N 3 2 339.487 3.026 10 0 EGAELP COc1cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1O ZINC000346164546 164354349 /nfs/dbraw/zinc/35/43/49/164354349.db2.gz DCGABGHNDCQHLG-UHFFFAOYSA-N 2 2 329.425 3.280 10 0 EGAELP COc1cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1O ZINC000346164546 164354352 /nfs/dbraw/zinc/35/43/52/164354352.db2.gz DCGABGHNDCQHLG-UHFFFAOYSA-N 2 2 329.425 3.280 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCCO1 ZINC000346541429 164393680 /nfs/dbraw/zinc/39/36/80/164393680.db2.gz DXXJRTVINBXBNJ-LWYYNNOASA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346541429 164393681 /nfs/dbraw/zinc/39/36/81/164393681.db2.gz DXXJRTVINBXBNJ-LWYYNNOASA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCO1 ZINC000346541429 164393682 /nfs/dbraw/zinc/39/36/82/164393682.db2.gz DXXJRTVINBXBNJ-LWYYNNOASA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346541429 164393683 /nfs/dbraw/zinc/39/36/83/164393683.db2.gz DXXJRTVINBXBNJ-LWYYNNOASA-N 2 2 338.536 3.299 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000350973908 165087908 /nfs/dbraw/zinc/08/79/08/165087908.db2.gz WRCMVGILXSXYAL-UHFFFAOYSA-N 2 2 347.503 3.071 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000352241404 165304249 /nfs/dbraw/zinc/30/42/49/165304249.db2.gz LTLHWQHALRXEGB-UHFFFAOYSA-N 3 2 344.528 3.090 10 0 EGAELP CCCn1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000355328531 166164633 /nfs/dbraw/zinc/16/46/33/166164633.db2.gz HZKLGBUNJZBASJ-UHFFFAOYSA-N 2 2 344.425 3.188 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973318 168066174 /nfs/dbraw/zinc/06/61/74/168066174.db2.gz VJGVAQSYZXALOM-HNNXBMFYSA-N 2 2 338.377 3.279 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973318 168066176 /nfs/dbraw/zinc/06/61/76/168066176.db2.gz VJGVAQSYZXALOM-HNNXBMFYSA-N 2 2 338.377 3.279 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000233495712 266207709 /nfs/dbraw/zinc/20/77/09/266207709.db2.gz WCCBKKOFCYTDSO-XJKSGUPXSA-N 2 2 325.294 3.454 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000233495712 266207711 /nfs/dbraw/zinc/20/77/11/266207711.db2.gz WCCBKKOFCYTDSO-XJKSGUPXSA-N 2 2 325.294 3.454 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417357 274028124 /nfs/dbraw/zinc/02/81/24/274028124.db2.gz QXWFGKPPWJCAGC-SJORKVTESA-N 2 2 341.499 3.034 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417357 274028126 /nfs/dbraw/zinc/02/81/26/274028126.db2.gz QXWFGKPPWJCAGC-SJORKVTESA-N 2 2 341.499 3.034 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000338205878 275052302 /nfs/dbraw/zinc/05/23/02/275052302.db2.gz KJVNAYBCYQOGKT-PKOBYXMFSA-N 2 2 344.499 3.259 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289384291 276331017 /nfs/dbraw/zinc/33/10/17/276331017.db2.gz LRSQWJFDOYBETD-TZIWHRDSSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289384291 276331018 /nfs/dbraw/zinc/33/10/18/276331018.db2.gz LRSQWJFDOYBETD-TZIWHRDSSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289384278 276331048 /nfs/dbraw/zinc/33/10/48/276331048.db2.gz LRSQWJFDOYBETD-CTNGQTDRSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289384278 276331049 /nfs/dbraw/zinc/33/10/49/276331049.db2.gz LRSQWJFDOYBETD-CTNGQTDRSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000289702999 276380684 /nfs/dbraw/zinc/38/06/84/276380684.db2.gz ORMQBSSRIJNIAL-OAQYLSRUSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000289702999 276380686 /nfs/dbraw/zinc/38/06/86/276380686.db2.gz ORMQBSSRIJNIAL-OAQYLSRUSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000289702999 276380688 /nfs/dbraw/zinc/38/06/88/276380688.db2.gz ORMQBSSRIJNIAL-OAQYLSRUSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000289702999 276380690 /nfs/dbraw/zinc/38/06/90/276380690.db2.gz ORMQBSSRIJNIAL-OAQYLSRUSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164973745 288103519 /nfs/dbraw/zinc/10/35/19/288103519.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164973745 288103522 /nfs/dbraw/zinc/10/35/22/288103522.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164973745 288103523 /nfs/dbraw/zinc/10/35/23/288103523.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164973745 288103524 /nfs/dbraw/zinc/10/35/24/288103524.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 3 2 335.561 3.449 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccc(F)cc3)c2cc1C ZINC000051120981 307330075 /nfs/dbraw/zinc/33/00/75/307330075.db2.gz UWCSRZHFNCJYIK-GOSISDBHSA-N 2 2 341.430 3.285 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccc(F)cc3)c2cc1C ZINC000051120981 307330076 /nfs/dbraw/zinc/33/00/76/307330076.db2.gz UWCSRZHFNCJYIK-GOSISDBHSA-N 2 2 341.430 3.285 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006983 308016924 /nfs/dbraw/zinc/01/69/24/308016924.db2.gz JBUHXKIVWGLWKL-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006983 308016926 /nfs/dbraw/zinc/01/69/26/308016926.db2.gz JBUHXKIVWGLWKL-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006983 308016928 /nfs/dbraw/zinc/01/69/28/308016928.db2.gz JBUHXKIVWGLWKL-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H](C)C1 ZINC000249006983 308016929 /nfs/dbraw/zinc/01/69/29/308016929.db2.gz JBUHXKIVWGLWKL-KSSFIOAISA-N 2 2 348.441 3.313 10 0 EGAELP Cc1nc(N2CC[NH+](C[C@H](OC(C)C)c3ccccc3)CC2)cc[nH+]1 ZINC000293349827 308122649 /nfs/dbraw/zinc/12/26/49/308122649.db2.gz XUEXQWHPYLHQRE-IBGZPJMESA-N 2 2 340.471 3.073 10 0 EGAELP O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484520 309083719 /nfs/dbraw/zinc/08/37/19/309083719.db2.gz JSRKSHLKKIJGPP-FUHWJXTLSA-N 2 2 325.437 3.242 10 0 EGAELP O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484520 309083720 /nfs/dbraw/zinc/08/37/20/309083720.db2.gz JSRKSHLKKIJGPP-FUHWJXTLSA-N 2 2 325.437 3.242 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294475933 308224351 /nfs/dbraw/zinc/22/43/51/308224351.db2.gz WZMHNDFEUCFDQA-OWZKRDHZSA-N 2 2 337.467 3.375 10 0 EGAELP COc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294475933 308224352 /nfs/dbraw/zinc/22/43/52/308224352.db2.gz WZMHNDFEUCFDQA-OWZKRDHZSA-N 2 2 337.467 3.375 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](O)C(F)F ZINC000295107041 308291959 /nfs/dbraw/zinc/29/19/59/308291959.db2.gz ULNBYHMALZKSJC-JKSUJKDBSA-N 2 2 346.849 3.299 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000414733457 309097942 /nfs/dbraw/zinc/09/79/42/309097942.db2.gz BBGIOKITKGTBKD-QAPCUYQASA-N 2 2 349.906 3.461 10 0 EGAELP Cc1nc(N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)cc[nH+]1 ZINC000302136983 308730362 /nfs/dbraw/zinc/73/03/62/308730362.db2.gz BOSWZICPFCFZGC-UHFFFAOYSA-N 2 2 339.830 3.313 10 0 EGAELP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OCc1ccccc1 ZINC000414939478 309110372 /nfs/dbraw/zinc/11/03/72/309110372.db2.gz WUAFJYSNUNZSOW-LPHOPBHVSA-N 2 2 340.467 3.362 10 0 EGAELP C[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414945578 309110717 /nfs/dbraw/zinc/11/07/17/309110717.db2.gz QNKVWILMGZQQOJ-VIFPVBQESA-N 2 2 326.263 3.009 10 0 EGAELP COc1cccc(C([NH2+]C2CC[NH2+]CC2)c2cccc(OC)c2)c1 ZINC000415078180 309118707 /nfs/dbraw/zinc/11/87/07/309118707.db2.gz FVVZYLYBLQGEJY-UHFFFAOYSA-N 2 2 326.440 3.135 10 0 EGAELP CCn1c[nH+]cc1CNc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000417838856 309224683 /nfs/dbraw/zinc/22/46/83/309224683.db2.gz QWKVZLIUKWGHOE-HOTGVXAUSA-N 2 2 328.460 3.124 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420350171 309283711 /nfs/dbraw/zinc/28/37/11/309283711.db2.gz FWEZTLSORLLWIS-RDJZCZTQSA-N 2 2 339.439 3.229 10 0 EGAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420350171 309283712 /nfs/dbraw/zinc/28/37/12/309283712.db2.gz FWEZTLSORLLWIS-RDJZCZTQSA-N 2 2 339.439 3.229 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422634143 309362920 /nfs/dbraw/zinc/36/29/20/309362920.db2.gz JESMIDPZONWAIU-MPGHIAIKSA-N 2 2 331.504 3.055 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422634143 309362921 /nfs/dbraw/zinc/36/29/21/309362921.db2.gz JESMIDPZONWAIU-MPGHIAIKSA-N 2 2 331.504 3.055 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2F)[C@H]2CCC[NH2+]2)cc1 ZINC000422756152 309366793 /nfs/dbraw/zinc/36/67/93/309366793.db2.gz GIWPDQVKDJCOHM-UXHICEINSA-N 2 2 328.431 3.460 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422782888 309368143 /nfs/dbraw/zinc/36/81/43/309368143.db2.gz NPUORUFFEIQFQS-IYWMVGAKSA-N 2 2 344.499 3.426 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CCO)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422806048 309369371 /nfs/dbraw/zinc/36/93/71/309369371.db2.gz HQZAIUBFIREHTG-MOPGFXCFSA-N 2 2 332.488 3.021 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833444 309370960 /nfs/dbraw/zinc/37/09/60/309370960.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 3 2 330.501 3.118 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833444 309370961 /nfs/dbraw/zinc/37/09/61/309370961.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 3 2 330.501 3.118 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC[C@@H]2CCOC2)c1 ZINC000422858579 309372390 /nfs/dbraw/zinc/37/23/90/309372390.db2.gz GNJIWNPFYNIHKD-JKSUJKDBSA-N 2 2 341.455 3.069 10 0 EGAELP CCOc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1OC(F)F ZINC000422876098 309373542 /nfs/dbraw/zinc/37/35/42/309373542.db2.gz PUOQQYCOTOEWJI-NSHDSACASA-N 2 2 337.370 3.345 10 0 EGAELP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1c[nH+]ccc1N ZINC000422971202 309379008 /nfs/dbraw/zinc/37/90/08/309379008.db2.gz IGTUEPZTBIIZBL-CQSZACIVSA-N 2 2 326.444 3.451 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039858 309382338 /nfs/dbraw/zinc/38/23/38/309382338.db2.gz GBIXAICHDLYVRD-RZAIGCCYSA-N 2 2 339.886 3.200 10 0 EGAELP CC(C)[N@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039858 309382339 /nfs/dbraw/zinc/38/23/39/309382339.db2.gz GBIXAICHDLYVRD-RZAIGCCYSA-N 2 2 339.886 3.200 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]1 ZINC000423105798 309386127 /nfs/dbraw/zinc/38/61/27/309386127.db2.gz CKZXTPYXYAWSIT-ZLKJLUDKSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423105793 309386207 /nfs/dbraw/zinc/38/62/07/309386207.db2.gz CKZXTPYXYAWSIT-LEWSCRJBSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147275 309388278 /nfs/dbraw/zinc/38/82/78/309388278.db2.gz ROFQMBXQCBNPGG-QUCCMNQESA-N 2 2 339.483 3.451 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000423185341 309389514 /nfs/dbraw/zinc/38/95/14/309389514.db2.gz VGEJOEYIEMZNJX-OWZKRDHZSA-N 3 2 327.516 3.433 10 0 EGAELP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000423185341 309389515 /nfs/dbraw/zinc/38/95/15/309389515.db2.gz VGEJOEYIEMZNJX-OWZKRDHZSA-N 3 2 327.516 3.433 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423242517 309391991 /nfs/dbraw/zinc/39/19/91/309391991.db2.gz MCQJCYYELJCCJH-VQTJNVASSA-N 2 2 335.455 3.008 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1NC(C)=O ZINC000423249366 309392105 /nfs/dbraw/zinc/39/21/05/309392105.db2.gz SVLPSXWYDGTBKG-SUMWQHHRSA-N 2 2 327.428 3.004 10 0 EGAELP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423272090 309393358 /nfs/dbraw/zinc/39/33/58/309393358.db2.gz YJTIMFXELUHASZ-FZKQIMNGSA-N 2 2 347.894 3.479 10 0 EGAELP CCC[NH2+]CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423308472 309394669 /nfs/dbraw/zinc/39/46/69/309394669.db2.gz JNBPPILKQKQYNN-AWEZNQCLSA-N 2 2 327.266 3.252 10 0 EGAELP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423382268 309397956 /nfs/dbraw/zinc/39/79/56/309397956.db2.gz OFGPOJLNPMCFLK-BXUZGUMPSA-N 2 2 327.266 3.250 10 0 EGAELP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000423571553 309406484 /nfs/dbraw/zinc/40/64/84/309406484.db2.gz XSFOXMWHVVGOTE-FZMZJTMJSA-N 2 2 344.240 3.084 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)C[C@H]2C1 ZINC000424304948 309437584 /nfs/dbraw/zinc/43/75/84/309437584.db2.gz RHEGAKCMDILTOL-UVRZSJBRSA-N 2 2 343.515 3.400 10 0 EGAELP C[C@H](Cc1ccoc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449190431 310043414 /nfs/dbraw/zinc/04/34/14/310043414.db2.gz IRGZFZBIESDEKX-OAHLLOKOSA-N 2 2 328.460 3.248 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393417 310058491 /nfs/dbraw/zinc/05/84/91/310058491.db2.gz BXHDUQFGACPOKL-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393417 310058492 /nfs/dbraw/zinc/05/84/92/310058492.db2.gz BXHDUQFGACPOKL-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398216 310058773 /nfs/dbraw/zinc/05/87/73/310058773.db2.gz TWUWDCXQGZCRFL-APIJFGDWSA-N 2 2 342.936 3.330 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398216 310058774 /nfs/dbraw/zinc/05/87/74/310058774.db2.gz TWUWDCXQGZCRFL-APIJFGDWSA-N 2 2 342.936 3.330 10 0 EGAELP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449405161 310059383 /nfs/dbraw/zinc/05/93/83/310059383.db2.gz IOSQTHYFOTWCCG-MRXNPFEDSA-N 2 2 341.503 3.113 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc12 ZINC000453253671 310266751 /nfs/dbraw/zinc/26/67/51/310266751.db2.gz CWHRLECPAVFSRV-IAGOWNOFSA-N 2 2 342.483 3.346 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc12 ZINC000453253671 310266752 /nfs/dbraw/zinc/26/67/52/310266752.db2.gz CWHRLECPAVFSRV-IAGOWNOFSA-N 2 2 342.483 3.346 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516615 311260271 /nfs/dbraw/zinc/26/02/71/311260271.db2.gz VRZCGMOGLWRPDF-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516615 311260272 /nfs/dbraw/zinc/26/02/72/311260272.db2.gz VRZCGMOGLWRPDF-CZUORRHYSA-N 2 2 337.305 3.411 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727630 312101391 /nfs/dbraw/zinc/10/13/91/312101391.db2.gz SXTZXEDMJZUYLQ-OXJNMPFZSA-N 2 2 327.472 3.428 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727630 312101392 /nfs/dbraw/zinc/10/13/92/312101392.db2.gz SXTZXEDMJZUYLQ-OXJNMPFZSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727630 312101393 /nfs/dbraw/zinc/10/13/93/312101393.db2.gz SXTZXEDMJZUYLQ-OXJNMPFZSA-N 2 2 327.472 3.428 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727630 312101395 /nfs/dbraw/zinc/10/13/95/312101395.db2.gz SXTZXEDMJZUYLQ-OXJNMPFZSA-N 2 2 327.472 3.428 10 0 EGAELP Cc1cn2cc(NC(=O)NCC[NH2+]C3CCCCCC3)ccc2[nH+]1 ZINC000516551083 312328951 /nfs/dbraw/zinc/32/89/51/312328951.db2.gz HVIPBDKFZATKNB-UHFFFAOYSA-N 2 2 329.448 3.077 10 0 EGAELP CCC(CC)[C@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)[NH+](C)C ZINC000520025622 312490870 /nfs/dbraw/zinc/49/08/70/312490870.db2.gz WTPGCCLPSNNQPQ-KRWDZBQOSA-N 2 2 327.476 3.047 10 0 EGAELP OCc1ccc(F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000528485451 313102933 /nfs/dbraw/zinc/10/29/33/313102933.db2.gz NDDIOWAOUUKYPU-UHFFFAOYSA-N 2 2 343.446 3.230 10 0 EGAELP Cc1cccc(C)c1OCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730119 313157246 /nfs/dbraw/zinc/15/72/46/313157246.db2.gz VOJQWKQYRUNPJA-UHFFFAOYSA-N 2 2 346.515 3.259 10 0 EGAELP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000529413711 313315337 /nfs/dbraw/zinc/31/53/37/313315337.db2.gz OWHJNBCVSSCLLA-KBAYOESNSA-N 2 2 340.471 3.135 10 0 EGAELP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000529413711 313315340 /nfs/dbraw/zinc/31/53/40/313315340.db2.gz OWHJNBCVSSCLLA-KBAYOESNSA-N 2 2 340.471 3.135 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(CO)o2)c(C)c1 ZINC000533528472 313915554 /nfs/dbraw/zinc/91/55/54/313915554.db2.gz KDYYRHWVWHSIQZ-IBGZPJMESA-N 2 2 325.412 3.116 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824427 314147879 /nfs/dbraw/zinc/14/78/79/314147879.db2.gz BBXCXJFHHUOCPT-VFSLUADLSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824427 314147882 /nfs/dbraw/zinc/14/78/82/314147882.db2.gz BBXCXJFHHUOCPT-VFSLUADLSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824427 314147885 /nfs/dbraw/zinc/14/78/85/314147885.db2.gz BBXCXJFHHUOCPT-VFSLUADLSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000536824427 314147890 /nfs/dbraw/zinc/14/78/90/314147890.db2.gz BBXCXJFHHUOCPT-VFSLUADLSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085541 314362129 /nfs/dbraw/zinc/36/21/29/314362129.db2.gz VHFPCJHGLQLAFS-UGSOOPFHSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085541 314362133 /nfs/dbraw/zinc/36/21/33/314362133.db2.gz VHFPCJHGLQLAFS-UGSOOPFHSA-N 2 2 329.419 3.096 10 0 EGAELP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000540504629 314385276 /nfs/dbraw/zinc/38/52/76/314385276.db2.gz QMNOGIIFWQEMQN-HNNXBMFYSA-N 2 2 329.444 3.278 10 0 EGAELP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000540504629 314385278 /nfs/dbraw/zinc/38/52/78/314385278.db2.gz QMNOGIIFWQEMQN-HNNXBMFYSA-N 2 2 329.444 3.278 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC3 ZINC000545899711 314789495 /nfs/dbraw/zinc/78/94/95/314789495.db2.gz AXJNCHQPDFJTRO-HNNXBMFYSA-N 2 2 338.455 3.300 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552228644 315207607 /nfs/dbraw/zinc/20/76/07/315207607.db2.gz LIRPGIHTVMHUAT-BZSNNMDCSA-N 2 2 344.503 3.185 10 0 EGAELP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552228644 315207611 /nfs/dbraw/zinc/20/76/11/315207611.db2.gz LIRPGIHTVMHUAT-BZSNNMDCSA-N 2 2 344.503 3.185 10 0 EGAELP COc1cccc([C@H]2[C@H](NCc3[nH]c(C)c(C)[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000565372419 316315832 /nfs/dbraw/zinc/31/58/32/316315832.db2.gz OQHPKCCSHSNPTM-QUCCMNQESA-N 2 2 340.471 3.103 10 0 EGAELP Cc1[nH]c(CNc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[nH+]c1C ZINC000572663203 317371887 /nfs/dbraw/zinc/37/18/87/317371887.db2.gz HZLIMFDWEZKONI-KBPBESRZSA-N 2 2 328.460 3.248 10 0 EGAELP CCOc1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643909 323244294 /nfs/dbraw/zinc/24/42/94/323244294.db2.gz FIEGVQXBVBGWIP-QGZVFWFLSA-N 2 2 341.455 3.293 10 0 EGAELP CCOc1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643909 323244296 /nfs/dbraw/zinc/24/42/96/323244296.db2.gz FIEGVQXBVBGWIP-QGZVFWFLSA-N 2 2 341.455 3.293 10 0 EGAELP CCOc1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643916 323244370 /nfs/dbraw/zinc/24/43/70/323244370.db2.gz FIEGVQXBVBGWIP-KRWDZBQOSA-N 2 2 341.455 3.293 10 0 EGAELP CCOc1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643916 323244373 /nfs/dbraw/zinc/24/43/73/323244373.db2.gz FIEGVQXBVBGWIP-KRWDZBQOSA-N 2 2 341.455 3.293 10 0 EGAELP Cc1[nH+]c2ccccc2n1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351068237 324162831 /nfs/dbraw/zinc/16/28/31/324162831.db2.gz AWVCBPRTRAKSDM-UHFFFAOYSA-N 2 2 330.351 3.091 10 0 EGAELP Cn1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135439 325206444 /nfs/dbraw/zinc/20/64/44/325206444.db2.gz AVZJLJYTVYJTMA-KDOFPFPSSA-N 2 2 341.846 3.033 10 0 EGAELP Cn1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135439 325206446 /nfs/dbraw/zinc/20/64/46/325206446.db2.gz AVZJLJYTVYJTMA-KDOFPFPSSA-N 2 2 341.846 3.033 10 0 EGAELP Cn1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135440 325206491 /nfs/dbraw/zinc/20/64/91/325206491.db2.gz AVZJLJYTVYJTMA-KSSFIOAISA-N 2 2 341.846 3.033 10 0 EGAELP Cn1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135440 325206493 /nfs/dbraw/zinc/20/64/93/325206493.db2.gz AVZJLJYTVYJTMA-KSSFIOAISA-N 2 2 341.846 3.033 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000580687990 325282968 /nfs/dbraw/zinc/28/29/68/325282968.db2.gz XZBDAYCCPNKNLI-UHFFFAOYSA-N 2 2 349.438 3.255 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023609 458258961 /nfs/dbraw/zinc/25/89/61/458258961.db2.gz UYJRJQMAWFQKHE-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023609 458258967 /nfs/dbraw/zinc/25/89/67/458258967.db2.gz UYJRJQMAWFQKHE-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023609 458258976 /nfs/dbraw/zinc/25/89/76/458258976.db2.gz UYJRJQMAWFQKHE-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000631880632 460586213 /nfs/dbraw/zinc/58/62/13/460586213.db2.gz ZQLDUVMMACKGIL-HZPDHXFCSA-N 2 2 328.378 3.005 10 0 EGAELP C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000631880632 460586219 /nfs/dbraw/zinc/58/62/19/460586219.db2.gz ZQLDUVMMACKGIL-HZPDHXFCSA-N 2 2 328.378 3.005 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC000631890041 460588742 /nfs/dbraw/zinc/58/87/42/460588742.db2.gz LXEIYDQOMDBMDO-FPOVZHCZSA-N 2 2 337.467 3.235 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC000631890041 460588751 /nfs/dbraw/zinc/58/87/51/460588751.db2.gz LXEIYDQOMDBMDO-FPOVZHCZSA-N 2 2 337.467 3.235 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860268 453932576 /nfs/dbraw/zinc/93/25/76/453932576.db2.gz JWRWLMWVVWUTSE-LNLFQRSKSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860268 453932579 /nfs/dbraw/zinc/93/25/79/453932579.db2.gz JWRWLMWVVWUTSE-LNLFQRSKSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000075860268 453932582 /nfs/dbraw/zinc/93/25/82/453932582.db2.gz JWRWLMWVVWUTSE-LNLFQRSKSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000075860268 453932586 /nfs/dbraw/zinc/93/25/86/453932586.db2.gz JWRWLMWVVWUTSE-LNLFQRSKSA-N 2 2 331.504 3.059 10 0 EGAELP FC(F)(F)COc1ccccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084504983 453992969 /nfs/dbraw/zinc/99/29/69/453992969.db2.gz COTQKMHIVSWYDP-AWEZNQCLSA-N 2 2 339.361 3.491 10 0 EGAELP COc1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1OC ZINC000042228139 454001704 /nfs/dbraw/zinc/00/17/04/454001704.db2.gz CINWRPXODONMIO-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP Cc1cccc2[nH+]c(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cn21 ZINC000068571701 454038771 /nfs/dbraw/zinc/03/87/71/454038771.db2.gz RJXMQZOSMVIURZ-UHFFFAOYSA-N 2 2 348.450 3.169 10 0 EGAELP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000069774730 454142417 /nfs/dbraw/zinc/14/24/17/454142417.db2.gz LCLPZZDXEKEXMQ-UHFFFAOYSA-N 2 2 332.879 3.133 10 0 EGAELP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000069774730 454142419 /nfs/dbraw/zinc/14/24/19/454142419.db2.gz LCLPZZDXEKEXMQ-UHFFFAOYSA-N 2 2 332.879 3.133 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089591526 454164491 /nfs/dbraw/zinc/16/44/91/454164491.db2.gz FRLGLHDPDWVQSW-PXNSSMCTSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089591526 454164493 /nfs/dbraw/zinc/16/44/93/454164493.db2.gz FRLGLHDPDWVQSW-PXNSSMCTSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1COc2ccccc21 ZINC000090845498 454344209 /nfs/dbraw/zinc/34/42/09/454344209.db2.gz BMEBSWUFGYDMRN-OXJNMPFZSA-N 2 2 337.467 3.200 10 0 EGAELP Cc1cc(C)c(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000600901727 460635684 /nfs/dbraw/zinc/63/56/84/460635684.db2.gz CWDKQPYBBRZCDJ-QHCPKHFHSA-N 2 2 327.453 3.412 10 0 EGAELP c1ccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200569 454423758 /nfs/dbraw/zinc/42/37/58/454423758.db2.gz GCQUEXJBUMHELX-OAHLLOKOSA-N 2 2 335.411 3.066 10 0 EGAELP c1ccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200569 454423763 /nfs/dbraw/zinc/42/37/63/454423763.db2.gz GCQUEXJBUMHELX-OAHLLOKOSA-N 2 2 335.411 3.066 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133570820 454440948 /nfs/dbraw/zinc/44/09/48/454440948.db2.gz WUDGACULFFEQFS-ZBFHGGJFSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133570820 454440952 /nfs/dbraw/zinc/44/09/52/454440952.db2.gz WUDGACULFFEQFS-ZBFHGGJFSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133570820 454440955 /nfs/dbraw/zinc/44/09/55/454440955.db2.gz WUDGACULFFEQFS-ZBFHGGJFSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133570820 454440959 /nfs/dbraw/zinc/44/09/59/454440959.db2.gz WUDGACULFFEQFS-ZBFHGGJFSA-N 2 2 337.895 3.249 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000246236218 455454552 /nfs/dbraw/zinc/45/45/52/455454552.db2.gz HCKXPRJOIOQVDG-CZUORRHYSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000246236218 455454553 /nfs/dbraw/zinc/45/45/53/455454553.db2.gz HCKXPRJOIOQVDG-CZUORRHYSA-N 2 2 347.846 3.391 10 0 EGAELP Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cnn1C(C)(C)C ZINC000191163663 455455598 /nfs/dbraw/zinc/45/55/98/455455598.db2.gz PBICCCSUKDTDDO-CQSZACIVSA-N 2 2 338.459 3.378 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2cc1C ZINC000104079927 454573564 /nfs/dbraw/zinc/57/35/64/454573564.db2.gz LCWCLCSMLDZIDM-UHFFFAOYSA-N 2 2 340.467 3.470 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182198160 455458208 /nfs/dbraw/zinc/45/82/08/455458208.db2.gz JYRQIIHSKIWEMF-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182198160 455458213 /nfs/dbraw/zinc/45/82/13/455458213.db2.gz JYRQIIHSKIWEMF-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182198160 455458218 /nfs/dbraw/zinc/45/82/18/455458218.db2.gz JYRQIIHSKIWEMF-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182198160 455458223 /nfs/dbraw/zinc/45/82/23/455458223.db2.gz JYRQIIHSKIWEMF-SWLSCSKDSA-N 2 2 341.293 3.372 10 0 EGAELP CC[N@H+](CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C1CC1 ZINC000123192334 454613129 /nfs/dbraw/zinc/61/31/29/454613129.db2.gz AFXOXJIKGQODMS-AWEZNQCLSA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@@H+](CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C1CC1 ZINC000123192334 454613132 /nfs/dbraw/zinc/61/31/32/454613132.db2.gz AFXOXJIKGQODMS-AWEZNQCLSA-N 2 2 327.472 3.108 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000092813385 454640420 /nfs/dbraw/zinc/64/04/20/454640420.db2.gz FYGYZTYLBYQUOZ-BXKMTCNYSA-N 2 2 343.496 3.061 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)[nH+]1 ZINC000092813385 454640422 /nfs/dbraw/zinc/64/04/22/454640422.db2.gz FYGYZTYLBYQUOZ-BXKMTCNYSA-N 2 2 343.496 3.061 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000080979958 454664892 /nfs/dbraw/zinc/66/48/92/454664892.db2.gz RSISSEZBCVMXKI-MRXNPFEDSA-N 2 2 327.476 3.359 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC000105896431 454665885 /nfs/dbraw/zinc/66/58/85/454665885.db2.gz WDAZSGLZMZACGT-KRWDZBQOSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC000105896431 454665890 /nfs/dbraw/zinc/66/58/90/454665890.db2.gz WDAZSGLZMZACGT-KRWDZBQOSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC000105896448 454666547 /nfs/dbraw/zinc/66/65/47/454666547.db2.gz LUACSIXBFZYSPN-INIZCTEOSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC000105896448 454666548 /nfs/dbraw/zinc/66/65/48/454666548.db2.gz LUACSIXBFZYSPN-INIZCTEOSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000105904151 454667939 /nfs/dbraw/zinc/66/79/39/454667939.db2.gz QPJAJZHHBHNMQD-OAHLLOKOSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000105904151 454667944 /nfs/dbraw/zinc/66/79/44/454667944.db2.gz QPJAJZHHBHNMQD-OAHLLOKOSA-N 2 2 344.434 3.250 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000106214611 454685470 /nfs/dbraw/zinc/68/54/70/454685470.db2.gz LTWSXIPMYBKBPO-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000106214611 454685473 /nfs/dbraw/zinc/68/54/73/454685473.db2.gz LTWSXIPMYBKBPO-IBGZPJMESA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CC)c2ccccc2)C1 ZINC000106215628 454686808 /nfs/dbraw/zinc/68/68/08/454686808.db2.gz PMDIMIWZNCCKQR-GOSISDBHSA-N 2 2 340.471 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CC)c2ccccc2)C1 ZINC000106215628 454686815 /nfs/dbraw/zinc/68/68/15/454686815.db2.gz PMDIMIWZNCCKQR-GOSISDBHSA-N 2 2 340.471 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000106212747 454687101 /nfs/dbraw/zinc/68/71/01/454687101.db2.gz SEXKPEMYHQCGFP-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000106212747 454687106 /nfs/dbraw/zinc/68/71/06/454687106.db2.gz SEXKPEMYHQCGFP-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000161633544 454709734 /nfs/dbraw/zinc/70/97/34/454709734.db2.gz OUNUKEYAAJEWFD-AWEZNQCLSA-N 2 2 347.894 3.446 10 0 EGAELP CCn1c2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683884 454729170 /nfs/dbraw/zinc/72/91/70/454729170.db2.gz AKWRLLGZRPDWTQ-QGZVFWFLSA-N 2 2 326.488 3.364 10 0 EGAELP CCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683884 454729175 /nfs/dbraw/zinc/72/91/75/454729175.db2.gz AKWRLLGZRPDWTQ-QGZVFWFLSA-N 2 2 326.488 3.364 10 0 EGAELP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000107515653 454760360 /nfs/dbraw/zinc/76/03/60/454760360.db2.gz UFSQYAYYNFJFMZ-AHSZXGJYSA-N 2 2 327.516 3.427 10 0 EGAELP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000107515653 454760362 /nfs/dbraw/zinc/76/03/62/454760362.db2.gz UFSQYAYYNFJFMZ-AHSZXGJYSA-N 2 2 327.516 3.427 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1CC(F)F ZINC000153580461 454809024 /nfs/dbraw/zinc/80/90/24/454809024.db2.gz JRPUBVZEWZWTED-MRXNPFEDSA-N 2 2 334.414 3.034 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1CC(F)F ZINC000153580461 454809028 /nfs/dbraw/zinc/80/90/28/454809028.db2.gz JRPUBVZEWZWTED-MRXNPFEDSA-N 2 2 334.414 3.034 10 0 EGAELP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101068 454823078 /nfs/dbraw/zinc/82/30/78/454823078.db2.gz ZGHSOYSZWBRXPT-OAHLLOKOSA-N 2 2 339.361 3.489 10 0 EGAELP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101068 454823082 /nfs/dbraw/zinc/82/30/82/454823082.db2.gz ZGHSOYSZWBRXPT-OAHLLOKOSA-N 2 2 339.361 3.489 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246472050 455496216 /nfs/dbraw/zinc/49/62/16/455496216.db2.gz OMTQVUOBPUPGLT-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246472050 455496219 /nfs/dbraw/zinc/49/62/19/455496219.db2.gz OMTQVUOBPUPGLT-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246472050 455496225 /nfs/dbraw/zinc/49/62/25/455496225.db2.gz OMTQVUOBPUPGLT-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246472050 455496231 /nfs/dbraw/zinc/49/62/31/455496231.db2.gz OMTQVUOBPUPGLT-CZUORRHYSA-N 2 2 340.414 3.213 10 0 EGAELP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000151505847 454994116 /nfs/dbraw/zinc/99/41/16/454994116.db2.gz LAZMANQUHGNFBH-SFHVURJKSA-N 2 2 334.423 3.443 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000179655742 455064365 /nfs/dbraw/zinc/06/43/65/455064365.db2.gz MIZFYZTVBXXGJY-GOSISDBHSA-N 2 2 326.488 3.278 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000179655742 455064368 /nfs/dbraw/zinc/06/43/68/455064368.db2.gz MIZFYZTVBXXGJY-GOSISDBHSA-N 2 2 326.488 3.278 10 0 EGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653468 455083333 /nfs/dbraw/zinc/08/33/33/455083333.db2.gz PICQFTSCECTICE-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653468 455083335 /nfs/dbraw/zinc/08/33/35/455083335.db2.gz PICQFTSCECTICE-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP C[C@H](C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000172014312 455109133 /nfs/dbraw/zinc/10/91/33/455109133.db2.gz NUIZDLOCJVJLAE-GOSISDBHSA-N 2 2 326.488 3.083 10 0 EGAELP C[C@H](C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000172014312 455109139 /nfs/dbraw/zinc/10/91/39/455109139.db2.gz NUIZDLOCJVJLAE-GOSISDBHSA-N 2 2 326.488 3.083 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438044 455119901 /nfs/dbraw/zinc/11/99/01/455119901.db2.gz DFOOBDVBCXADJF-RCCFBDPRSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438044 455119904 /nfs/dbraw/zinc/11/99/04/455119904.db2.gz DFOOBDVBCXADJF-RCCFBDPRSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152438044 455119905 /nfs/dbraw/zinc/11/99/05/455119905.db2.gz DFOOBDVBCXADJF-RCCFBDPRSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152438044 455119907 /nfs/dbraw/zinc/11/99/07/455119907.db2.gz DFOOBDVBCXADJF-RCCFBDPRSA-N 2 2 343.515 3.016 10 0 EGAELP Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2c(C)noc2C)CC1 ZINC000156971486 455159373 /nfs/dbraw/zinc/15/93/73/455159373.db2.gz AFFLUROVRWRGJJ-QGZVFWFLSA-N 2 2 346.475 3.383 10 0 EGAELP Cc1noc(C)c1C[N@H+](C)[C@@H]1CCC[NH+](Cc2c(C)noc2C)CC1 ZINC000156971486 455159374 /nfs/dbraw/zinc/15/93/74/455159374.db2.gz AFFLUROVRWRGJJ-QGZVFWFLSA-N 2 2 346.475 3.383 10 0 EGAELP Cc1noc(C)c1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(C)noc2C)CC1 ZINC000156971486 455159376 /nfs/dbraw/zinc/15/93/76/455159376.db2.gz AFFLUROVRWRGJJ-QGZVFWFLSA-N 2 2 346.475 3.383 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245425640 455295221 /nfs/dbraw/zinc/29/52/21/455295221.db2.gz KUPUHBCITXLRBW-RHSMWYFYSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245425640 455295223 /nfs/dbraw/zinc/29/52/23/455295223.db2.gz KUPUHBCITXLRBW-RHSMWYFYSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245425640 455295225 /nfs/dbraw/zinc/29/52/25/455295225.db2.gz KUPUHBCITXLRBW-RHSMWYFYSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245425640 455295226 /nfs/dbraw/zinc/29/52/26/455295226.db2.gz KUPUHBCITXLRBW-RHSMWYFYSA-N 2 2 332.467 3.357 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429084 455296551 /nfs/dbraw/zinc/29/65/51/455296551.db2.gz MWGJELALYALEMJ-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429084 455296552 /nfs/dbraw/zinc/29/65/52/455296552.db2.gz MWGJELALYALEMJ-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429084 455296554 /nfs/dbraw/zinc/29/65/54/455296554.db2.gz MWGJELALYALEMJ-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429084 455296555 /nfs/dbraw/zinc/29/65/55/455296555.db2.gz MWGJELALYALEMJ-BLLLJJGKSA-N 2 2 341.858 3.080 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+](C)[C@H](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000181281421 455311911 /nfs/dbraw/zinc/31/19/11/455311911.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+](C)[C@H](C)C3)CC[N@H+]2C2CC2)c1 ZINC000181281421 455311916 /nfs/dbraw/zinc/31/19/16/455311916.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281421 455311922 /nfs/dbraw/zinc/31/19/22/455311922.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281421 455311928 /nfs/dbraw/zinc/31/19/28/455311928.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281421 455311934 /nfs/dbraw/zinc/31/19/34/455311934.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281421 455311937 /nfs/dbraw/zinc/31/19/37/455311937.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000245691033 455356889 /nfs/dbraw/zinc/35/68/89/455356889.db2.gz ARPVKEITAYAQRQ-DZGCQCFKSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000245691033 455356893 /nfs/dbraw/zinc/35/68/93/455356893.db2.gz ARPVKEITAYAQRQ-DZGCQCFKSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC(F)F ZINC000245691033 455356895 /nfs/dbraw/zinc/35/68/95/455356895.db2.gz ARPVKEITAYAQRQ-DZGCQCFKSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1OC(F)F ZINC000245691033 455356898 /nfs/dbraw/zinc/35/68/98/455356898.db2.gz ARPVKEITAYAQRQ-DZGCQCFKSA-N 2 2 340.414 3.213 10 0 EGAELP Clc1nc2ccccn2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245720467 455364002 /nfs/dbraw/zinc/36/40/02/455364002.db2.gz DHCZQZXOXXWHOB-HOCLYGCPSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1nc2ccccn2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245720467 455364004 /nfs/dbraw/zinc/36/40/04/455364004.db2.gz DHCZQZXOXXWHOB-HOCLYGCPSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245720467 455364007 /nfs/dbraw/zinc/36/40/07/455364007.db2.gz DHCZQZXOXXWHOB-HOCLYGCPSA-N 2 2 344.890 3.436 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000174284297 455376667 /nfs/dbraw/zinc/37/66/67/455376667.db2.gz NLHGIGOWKTYILM-OCCSQVGLSA-N 2 2 347.413 3.116 10 0 EGAELP Clc1cccc2c1CCN(CC[NH2+]Cc1cccc3[nH+]ccn31)C2 ZINC000191106932 455444863 /nfs/dbraw/zinc/44/48/63/455444863.db2.gz TUWKEDSJMGWGHY-UHFFFAOYSA-N 2 2 340.858 3.136 10 0 EGAELP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396957 455482661 /nfs/dbraw/zinc/48/26/61/455482661.db2.gz RIMJYHZSNSXTKW-HKUYNNGSSA-N 2 2 346.519 3.027 10 0 EGAELP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396957 455482662 /nfs/dbraw/zinc/48/26/62/455482662.db2.gz RIMJYHZSNSXTKW-HKUYNNGSSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396957 455482663 /nfs/dbraw/zinc/48/26/63/455482663.db2.gz RIMJYHZSNSXTKW-HKUYNNGSSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396957 455482666 /nfs/dbraw/zinc/48/26/66/455482666.db2.gz RIMJYHZSNSXTKW-HKUYNNGSSA-N 2 2 346.519 3.027 10 0 EGAELP COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000182444528 455515770 /nfs/dbraw/zinc/51/57/70/455515770.db2.gz DDZZFQDZHGPUSJ-OLZOCXBDSA-N 2 2 341.415 3.122 10 0 EGAELP COc1ccccc1CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182497926 455526243 /nfs/dbraw/zinc/52/62/43/455526243.db2.gz XQTDLAZHZHCIDG-QGZVFWFLSA-N 2 2 325.456 3.457 10 0 EGAELP COc1ccccc1CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182497926 455526246 /nfs/dbraw/zinc/52/62/46/455526246.db2.gz XQTDLAZHZHCIDG-QGZVFWFLSA-N 2 2 325.456 3.457 10 0 EGAELP CCC(F)(F)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000623680085 460676272 /nfs/dbraw/zinc/67/62/72/460676272.db2.gz XELPJRROXOYBAZ-UHFFFAOYSA-N 2 2 325.447 3.352 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247026139 455546346 /nfs/dbraw/zinc/54/63/46/455546346.db2.gz LYJBGKOAYYADSN-LAUBAEHRSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247026139 455546348 /nfs/dbraw/zinc/54/63/48/455546348.db2.gz LYJBGKOAYYADSN-LAUBAEHRSA-N 2 2 339.483 3.133 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247347110 455590625 /nfs/dbraw/zinc/59/06/25/455590625.db2.gz GWGURZXQQAPCDB-IEBWSBKVSA-N 2 2 340.471 3.208 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247347110 455590628 /nfs/dbraw/zinc/59/06/28/455590628.db2.gz GWGURZXQQAPCDB-IEBWSBKVSA-N 2 2 340.471 3.208 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247478143 455607870 /nfs/dbraw/zinc/60/78/70/455607870.db2.gz JWRWLMWVVWUTSE-JENIJYKNSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247478143 455607875 /nfs/dbraw/zinc/60/78/75/455607875.db2.gz JWRWLMWVVWUTSE-JENIJYKNSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000247478143 455607877 /nfs/dbraw/zinc/60/78/77/455607877.db2.gz JWRWLMWVVWUTSE-JENIJYKNSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000247478143 455607881 /nfs/dbraw/zinc/60/78/81/455607881.db2.gz JWRWLMWVVWUTSE-JENIJYKNSA-N 2 2 331.504 3.059 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000271548273 455681279 /nfs/dbraw/zinc/68/12/79/455681279.db2.gz UOGSLDPUQODKCA-TWOQFEAHSA-N 2 2 326.488 3.149 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000271548273 455681283 /nfs/dbraw/zinc/68/12/83/455681283.db2.gz UOGSLDPUQODKCA-TWOQFEAHSA-N 2 2 326.488 3.149 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)cc1 ZINC000248129193 455685810 /nfs/dbraw/zinc/68/58/10/455685810.db2.gz OGWOQJDDPOLHFC-ZWKOTPCHSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)cc1 ZINC000248129193 455685816 /nfs/dbraw/zinc/68/58/16/455685816.db2.gz OGWOQJDDPOLHFC-ZWKOTPCHSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)cc1 ZINC000248129193 455685819 /nfs/dbraw/zinc/68/58/19/455685819.db2.gz OGWOQJDDPOLHFC-ZWKOTPCHSA-N 2 2 340.471 3.215 10 0 EGAELP CCc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000248129193 455685824 /nfs/dbraw/zinc/68/58/24/455685824.db2.gz OGWOQJDDPOLHFC-ZWKOTPCHSA-N 2 2 340.471 3.215 10 0 EGAELP CC(C)n1cc[nH+]c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000261676151 455926487 /nfs/dbraw/zinc/92/64/87/455926487.db2.gz IBSPBVVCAVPUFK-SFHVURJKSA-N 2 2 327.476 3.003 10 0 EGAELP C[C@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000187755446 455948478 /nfs/dbraw/zinc/94/84/78/455948478.db2.gz XXZSZXPIPXQFAY-OAQYLSRUSA-N 2 2 348.450 3.119 10 0 EGAELP C[C@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000187755446 455948485 /nfs/dbraw/zinc/94/84/85/455948485.db2.gz XXZSZXPIPXQFAY-OAQYLSRUSA-N 2 2 348.450 3.119 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000195516144 455976400 /nfs/dbraw/zinc/97/64/00/455976400.db2.gz GAKWRQYJMSIDHU-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000195516144 455976406 /nfs/dbraw/zinc/97/64/06/455976406.db2.gz GAKWRQYJMSIDHU-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402949 456211209 /nfs/dbraw/zinc/21/12/09/456211209.db2.gz SQMQTHJKMWYQMU-CRAIPNDOSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c(F)c1 ZINC000297402949 456211213 /nfs/dbraw/zinc/21/12/13/456211213.db2.gz SQMQTHJKMWYQMU-CRAIPNDOSA-N 2 2 326.431 3.098 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115014 456231278 /nfs/dbraw/zinc/23/12/78/456231278.db2.gz FBIQCQSSTATGNH-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115014 456231287 /nfs/dbraw/zinc/23/12/87/456231287.db2.gz FBIQCQSSTATGNH-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115014 456231293 /nfs/dbraw/zinc/23/12/93/456231293.db2.gz FBIQCQSSTATGNH-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3F)no2)[C@H](C)C1 ZINC000189115014 456231299 /nfs/dbraw/zinc/23/12/99/456231299.db2.gz FBIQCQSSTATGNH-CJNGLKHVSA-N 2 2 332.423 3.038 10 0 EGAELP CC(C)Oc1cc[nH+]cc1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290337288 456297461 /nfs/dbraw/zinc/29/74/61/456297461.db2.gz KADNEJRKFJFOBZ-SFHVURJKSA-N 2 2 338.423 3.125 10 0 EGAELP CC(C)Oc1cc[nH+]cc1COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000290337288 456297466 /nfs/dbraw/zinc/29/74/66/456297466.db2.gz KADNEJRKFJFOBZ-SFHVURJKSA-N 2 2 338.423 3.125 10 0 EGAELP Cc1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000281941879 456369188 /nfs/dbraw/zinc/36/91/88/456369188.db2.gz CCUWOMMMBUOYPQ-OAHLLOKOSA-N 2 2 339.443 3.334 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000276268317 456428989 /nfs/dbraw/zinc/42/89/89/456428989.db2.gz RVGRRQSJIZOFJW-UONOGXRCSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000276268317 456428995 /nfs/dbraw/zinc/42/89/95/456428995.db2.gz RVGRRQSJIZOFJW-UONOGXRCSA-N 2 2 341.377 3.122 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000340393077 456434282 /nfs/dbraw/zinc/43/42/82/456434282.db2.gz DNYOWXYBJWLSSU-WPRPVWTQSA-N 2 2 338.274 3.368 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000340393077 456434286 /nfs/dbraw/zinc/43/42/86/456434286.db2.gz DNYOWXYBJWLSSU-WPRPVWTQSA-N 2 2 338.274 3.368 10 0 EGAELP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282244496 456453637 /nfs/dbraw/zinc/45/36/37/456453637.db2.gz ARDLCAZZVUHFDB-CQSZACIVSA-N 2 2 345.516 3.122 10 0 EGAELP CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282244496 456453639 /nfs/dbraw/zinc/45/36/39/456453639.db2.gz ARDLCAZZVUHFDB-CQSZACIVSA-N 2 2 345.516 3.122 10 0 EGAELP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461345 456636514 /nfs/dbraw/zinc/63/65/14/456636514.db2.gz KUPKXRRXNMHVNO-FUHWJXTLSA-N 2 2 344.409 3.220 10 0 EGAELP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C2CC2)[nH+]1 ZINC000343461345 456636519 /nfs/dbraw/zinc/63/65/19/456636519.db2.gz KUPKXRRXNMHVNO-FUHWJXTLSA-N 2 2 344.409 3.220 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000353624366 456810235 /nfs/dbraw/zinc/81/02/35/456810235.db2.gz PSOOLVXCBIREQK-NFAWXSAZSA-N 2 2 329.444 3.066 10 0 EGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000353624366 456810240 /nfs/dbraw/zinc/81/02/40/456810240.db2.gz PSOOLVXCBIREQK-NFAWXSAZSA-N 2 2 329.444 3.066 10 0 EGAELP CCc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC000339013711 456900390 /nfs/dbraw/zinc/90/03/90/456900390.db2.gz NBFSZAQUMLRFGM-UHFFFAOYSA-N 2 2 338.499 3.178 10 0 EGAELP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC000339013711 456900394 /nfs/dbraw/zinc/90/03/94/456900394.db2.gz NBFSZAQUMLRFGM-UHFFFAOYSA-N 2 2 338.499 3.178 10 0 EGAELP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)CC1 ZINC000349189604 456907878 /nfs/dbraw/zinc/90/78/78/456907878.db2.gz MCRGXABCVVCOEG-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)CC1 ZINC000349189604 456907882 /nfs/dbraw/zinc/90/78/82/456907882.db2.gz MCRGXABCVVCOEG-INIZCTEOSA-N 3 2 330.501 3.098 10 0 EGAELP C[C@@H]1C[NH+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C[C@@H](C)O1 ZINC000339071036 456927151 /nfs/dbraw/zinc/92/71/51/456927151.db2.gz OYCGPUDPHBIWHK-WERVVEIQSA-N 2 2 346.515 3.243 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844761 456933007 /nfs/dbraw/zinc/93/30/07/456933007.db2.gz VSVWYBSRDLVHRV-WOJBJXKFSA-N 2 2 332.463 3.462 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844761 456933008 /nfs/dbraw/zinc/93/30/08/456933008.db2.gz VSVWYBSRDLVHRV-WOJBJXKFSA-N 2 2 332.463 3.462 10 0 EGAELP COc1ccc(F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000339186252 456982938 /nfs/dbraw/zinc/98/29/38/456982938.db2.gz FCJDVFMYJDRDLH-UHFFFAOYSA-N 2 2 325.387 3.369 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095997 457059036 /nfs/dbraw/zinc/05/90/36/457059036.db2.gz GJYKEHASVDBIFC-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095997 457059040 /nfs/dbraw/zinc/05/90/40/457059040.db2.gz GJYKEHASVDBIFC-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095997 457059044 /nfs/dbraw/zinc/05/90/44/457059044.db2.gz GJYKEHASVDBIFC-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354095997 457059050 /nfs/dbraw/zinc/05/90/50/457059050.db2.gz GJYKEHASVDBIFC-MRXNPFEDSA-N 2 2 342.512 3.369 10 0 EGAELP Fc1cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc(F)c1F ZINC000356787478 457167082 /nfs/dbraw/zinc/16/70/82/457167082.db2.gz OUFPUPKFKNEHAF-UHFFFAOYSA-N 2 2 349.400 3.296 10 0 EGAELP CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[nH]1 ZINC000362989854 457185969 /nfs/dbraw/zinc/18/59/69/457185969.db2.gz LKZDUCNIIPRZLO-JSGCOSHPSA-N 2 2 339.447 3.058 10 0 EGAELP Cc1cc(NCCCCC[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000347329966 457356453 /nfs/dbraw/zinc/35/64/53/457356453.db2.gz ZMCLVUGPPDCWOV-UHFFFAOYSA-N 2 2 339.487 3.337 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000385994034 457429954 /nfs/dbraw/zinc/42/99/54/457429954.db2.gz BITWKSYQGBUNPA-RYQLBKOJSA-N 2 2 338.480 3.015 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000385994034 457429958 /nfs/dbraw/zinc/42/99/58/457429958.db2.gz BITWKSYQGBUNPA-RYQLBKOJSA-N 2 2 338.480 3.015 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1Br ZINC000396730460 457483104 /nfs/dbraw/zinc/48/31/04/457483104.db2.gz WLVVUABBLCALRU-MJVIPROJSA-N 2 2 327.266 3.249 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000397849541 457492761 /nfs/dbraw/zinc/49/27/61/457492761.db2.gz GNJFJBBVPYHXQV-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP C[C@@]1(C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000397849541 457492768 /nfs/dbraw/zinc/49/27/68/457492768.db2.gz GNJFJBBVPYHXQV-NRFANRHFSA-N 2 2 334.467 3.479 10 0 EGAELP Clc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc2c1OCCO2 ZINC000374210316 457523259 /nfs/dbraw/zinc/52/32/59/457523259.db2.gz UNXVYUHUSAYWEB-UHFFFAOYSA-N 2 2 333.819 3.214 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH+]cn1C(C)C)Cc1ccncc1 ZINC000425381505 457529249 /nfs/dbraw/zinc/52/92/49/457529249.db2.gz MYIHXJDQKNOBOB-LJQANCHMSA-N 2 2 341.503 3.346 10 0 EGAELP CC[N@H+]1CCC[C@@H]1CN(Cc1c[nH+]cn1C(C)C)Cc1ccncc1 ZINC000425381505 457529255 /nfs/dbraw/zinc/52/92/55/457529255.db2.gz MYIHXJDQKNOBOB-LJQANCHMSA-N 2 2 341.503 3.346 10 0 EGAELP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000425386923 457530425 /nfs/dbraw/zinc/53/04/25/457530425.db2.gz UJXLWRXRJQGDDE-CYBMUJFWSA-N 2 2 330.398 3.041 10 0 EGAELP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000425386923 457530435 /nfs/dbraw/zinc/53/04/35/457530435.db2.gz UJXLWRXRJQGDDE-CYBMUJFWSA-N 2 2 330.398 3.041 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]CCOCc2ccc(Cl)cc2)s1 ZINC000352757544 457585335 /nfs/dbraw/zinc/58/53/35/457585335.db2.gz FTYWJEWROVMTGY-UHFFFAOYSA-N 2 2 339.892 3.165 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306405 457614935 /nfs/dbraw/zinc/61/49/35/457614935.db2.gz AKSJNEIZXWGOSC-JKSUJKDBSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306405 457614940 /nfs/dbraw/zinc/61/49/40/457614940.db2.gz AKSJNEIZXWGOSC-JKSUJKDBSA-N 2 2 346.519 3.092 10 0 EGAELP Cc1ccsc1CNC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000374642580 457679037 /nfs/dbraw/zinc/67/90/37/457679037.db2.gz CJABHRUVGWQGNZ-UHFFFAOYSA-N 2 2 343.496 3.256 10 0 EGAELP CCOCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364818640 457699676 /nfs/dbraw/zinc/69/96/76/457699676.db2.gz FRWJWNCWIUUXDO-UHFFFAOYSA-N 2 2 334.508 3.236 10 0 EGAELP CCOCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364818640 457699679 /nfs/dbraw/zinc/69/96/79/457699679.db2.gz FRWJWNCWIUUXDO-UHFFFAOYSA-N 2 2 334.508 3.236 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000361456090 457737701 /nfs/dbraw/zinc/73/77/01/457737701.db2.gz HWBQLHOYAHPWNN-LZQZEXGQSA-N 2 2 330.497 3.424 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000361456090 457737704 /nfs/dbraw/zinc/73/77/04/457737704.db2.gz HWBQLHOYAHPWNN-LZQZEXGQSA-N 2 2 330.497 3.424 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000358150162 457817582 /nfs/dbraw/zinc/81/75/82/457817582.db2.gz ZMOZGGBJCVBMEW-UHFFFAOYSA-N 2 2 332.398 3.097 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000358150162 457817591 /nfs/dbraw/zinc/81/75/91/457817591.db2.gz ZMOZGGBJCVBMEW-UHFFFAOYSA-N 2 2 332.398 3.097 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481127 457823165 /nfs/dbraw/zinc/82/31/65/457823165.db2.gz KQKRSWOCXCPTGE-IFMALSPDSA-N 2 2 349.478 3.394 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481127 457823168 /nfs/dbraw/zinc/82/31/68/457823168.db2.gz KQKRSWOCXCPTGE-IFMALSPDSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481127 457823172 /nfs/dbraw/zinc/82/31/72/457823172.db2.gz KQKRSWOCXCPTGE-IFMALSPDSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481127 457823178 /nfs/dbraw/zinc/82/31/78/457823178.db2.gz KQKRSWOCXCPTGE-IFMALSPDSA-N 2 2 349.478 3.394 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358220166 457868088 /nfs/dbraw/zinc/86/80/88/457868088.db2.gz DRVXDTHTZCIWPI-HNNXBMFYSA-N 2 2 327.472 3.219 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358220166 457868089 /nfs/dbraw/zinc/86/80/89/457868089.db2.gz DRVXDTHTZCIWPI-HNNXBMFYSA-N 2 2 327.472 3.219 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000361890789 457935280 /nfs/dbraw/zinc/93/52/80/457935280.db2.gz GEMINHWGLPYDPO-ZWKOTPCHSA-N 2 2 339.483 3.368 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000375803566 458071980 /nfs/dbraw/zinc/07/19/80/458071980.db2.gz DCIHAQGOUPFHRK-SJPCQFCGSA-N 2 2 341.455 3.407 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000375803566 458071987 /nfs/dbraw/zinc/07/19/87/458071987.db2.gz DCIHAQGOUPFHRK-SJPCQFCGSA-N 2 2 341.455 3.407 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1 ZINC000375803566 458071993 /nfs/dbraw/zinc/07/19/93/458071993.db2.gz DCIHAQGOUPFHRK-SJPCQFCGSA-N 2 2 341.455 3.407 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1 ZINC000375803566 458072000 /nfs/dbraw/zinc/07/20/00/458072000.db2.gz DCIHAQGOUPFHRK-SJPCQFCGSA-N 2 2 341.455 3.407 10 0 EGAELP C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000445809684 458091895 /nfs/dbraw/zinc/09/18/95/458091895.db2.gz GQYJYNDKCHAVMA-JOCHJYFZSA-N 2 2 346.478 3.420 10 0 EGAELP C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000445809684 458091898 /nfs/dbraw/zinc/09/18/98/458091898.db2.gz GQYJYNDKCHAVMA-JOCHJYFZSA-N 2 2 346.478 3.420 10 0 EGAELP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445817413 458093477 /nfs/dbraw/zinc/09/34/77/458093477.db2.gz FSNGTAYDASRGDR-LJQANCHMSA-N 2 2 326.488 3.095 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[N@@H+]1C1CC1 ZINC000358753562 458194120 /nfs/dbraw/zinc/19/41/20/458194120.db2.gz LYEZLDWWIUYBIF-GQIGUUNPSA-N 2 2 336.483 3.465 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[N@H+]1C1CC1 ZINC000358753562 458194124 /nfs/dbraw/zinc/19/41/24/458194124.db2.gz LYEZLDWWIUYBIF-GQIGUUNPSA-N 2 2 336.483 3.465 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000429023609 458258955 /nfs/dbraw/zinc/25/89/55/458258955.db2.gz UYJRJQMAWFQKHE-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442683 458372771 /nfs/dbraw/zinc/37/27/71/458372771.db2.gz CSYLZKOHIDKQKT-NRFANRHFSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442683 458372775 /nfs/dbraw/zinc/37/27/75/458372775.db2.gz CSYLZKOHIDKQKT-NRFANRHFSA-N 2 2 338.499 3.458 10 0 EGAELP CCc1cc(N2CCC(n3c[nH+]cc3C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000376741148 458380532 /nfs/dbraw/zinc/38/05/32/458380532.db2.gz DUTNXNSXXXJMEJ-UHFFFAOYSA-N 2 2 348.454 3.447 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803668 458533864 /nfs/dbraw/zinc/53/38/64/458533864.db2.gz YVHJDSQHVJYHQZ-KOLCDFICSA-N 2 2 325.334 3.358 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803668 458533869 /nfs/dbraw/zinc/53/38/69/458533869.db2.gz YVHJDSQHVJYHQZ-KOLCDFICSA-N 2 2 325.334 3.358 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000530216178 458719685 /nfs/dbraw/zinc/71/96/85/458719685.db2.gz NOIDXYLBDOKDQQ-KSZLIROESA-N 2 2 334.891 3.304 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)C(C)C)c(C)c1 ZINC000441388564 458933560 /nfs/dbraw/zinc/93/35/60/458933560.db2.gz SEDCBRAFWSZRTR-PKOBYXMFSA-N 2 2 342.487 3.086 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983907 459012915 /nfs/dbraw/zinc/01/29/15/459012915.db2.gz MEGHLGRYKDJMSX-DLBZAZTESA-N 2 2 331.504 3.459 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983907 459012917 /nfs/dbraw/zinc/01/29/17/459012917.db2.gz MEGHLGRYKDJMSX-DLBZAZTESA-N 2 2 331.504 3.459 10 0 EGAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594952573 459190128 /nfs/dbraw/zinc/19/01/28/459190128.db2.gz XBYUMOHWFGFRFU-VNQPRFMTSA-N 2 2 347.503 3.311 10 0 EGAELP COC(=O)[C@@](C)([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000521949091 459194607 /nfs/dbraw/zinc/19/46/07/459194607.db2.gz FAFLITCBYOCZJO-FQEVSTJZSA-N 2 2 343.471 3.446 10 0 EGAELP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794395 459219351 /nfs/dbraw/zinc/21/93/51/459219351.db2.gz JALCZYSETDFXLA-NRSPTQNISA-N 3 2 329.532 3.361 10 0 EGAELP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794395 459219354 /nfs/dbraw/zinc/21/93/54/459219354.db2.gz JALCZYSETDFXLA-NRSPTQNISA-N 3 2 329.532 3.361 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794393 459219593 /nfs/dbraw/zinc/21/95/93/459219593.db2.gz JALCZYSETDFXLA-HMXCVIKNSA-N 3 2 329.532 3.361 10 0 EGAELP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794393 459219600 /nfs/dbraw/zinc/21/96/00/459219600.db2.gz JALCZYSETDFXLA-HMXCVIKNSA-N 3 2 329.532 3.361 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000595031613 459222514 /nfs/dbraw/zinc/22/25/14/459222514.db2.gz IKNVMKMNUASYBZ-ZIFCJYIRSA-N 2 2 346.515 3.464 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000595031613 459222520 /nfs/dbraw/zinc/22/25/20/459222520.db2.gz IKNVMKMNUASYBZ-ZIFCJYIRSA-N 2 2 346.515 3.464 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000595035472 459223806 /nfs/dbraw/zinc/22/38/06/459223806.db2.gz JTCLJXSGPPRPSA-WDYCEAGBSA-N 2 2 332.488 3.389 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000595035472 459223812 /nfs/dbraw/zinc/22/38/12/459223812.db2.gz JTCLJXSGPPRPSA-WDYCEAGBSA-N 2 2 332.488 3.389 10 0 EGAELP CN(C)c1nc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc[nH+]1 ZINC000533531320 459248971 /nfs/dbraw/zinc/24/89/71/459248971.db2.gz MWDMKDGKHGHXCM-UHFFFAOYSA-N 2 2 347.466 3.018 10 0 EGAELP Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081845 459307284 /nfs/dbraw/zinc/30/72/84/459307284.db2.gz AINPOXJBJAVELW-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591081845 459307291 /nfs/dbraw/zinc/30/72/91/459307291.db2.gz AINPOXJBJAVELW-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000582856345 459440409 /nfs/dbraw/zinc/44/04/09/459440409.db2.gz NYECLRCHBPHKEV-UHFFFAOYSA-N 2 2 345.874 3.496 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591866984 459457796 /nfs/dbraw/zinc/45/77/96/459457796.db2.gz LICJTJJNOQBBIC-AWEZNQCLSA-N 2 2 343.456 3.264 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591866984 459457801 /nfs/dbraw/zinc/45/78/01/459457801.db2.gz LICJTJJNOQBBIC-AWEZNQCLSA-N 2 2 343.456 3.264 10 0 EGAELP C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000569492015 459461578 /nfs/dbraw/zinc/46/15/78/459461578.db2.gz HGTRVOJQJLNJIM-UHFFFAOYSA-N 2 2 332.451 3.354 10 0 EGAELP C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000569492015 459461580 /nfs/dbraw/zinc/46/15/80/459461580.db2.gz HGTRVOJQJLNJIM-UHFFFAOYSA-N 2 2 332.451 3.354 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591907644 459480146 /nfs/dbraw/zinc/48/01/46/459480146.db2.gz IFPYGWPATRKANM-ZWKOTPCHSA-N 2 2 343.471 3.083 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591907644 459480153 /nfs/dbraw/zinc/48/01/53/459480153.db2.gz IFPYGWPATRKANM-ZWKOTPCHSA-N 2 2 343.471 3.083 10 0 EGAELP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000583148608 459490911 /nfs/dbraw/zinc/49/09/11/459490911.db2.gz IKCJTRNUALQYRB-QGZVFWFLSA-N 2 2 340.471 3.137 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000562100025 459511651 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328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302902 459534243 /nfs/dbraw/zinc/53/42/43/459534243.db2.gz PJHXYRYZEYHRMV-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302902 459534248 /nfs/dbraw/zinc/53/42/48/459534248.db2.gz PJHXYRYZEYHRMV-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592378324 459585898 /nfs/dbraw/zinc/58/58/98/459585898.db2.gz RJYKLDOGXULMEV-SJORKVTESA-N 2 2 341.455 3.472 10 0 EGAELP CCOc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)cc1OC ZINC000527704085 459706814 /nfs/dbraw/zinc/70/68/14/459706814.db2.gz FCVJLWAVLCOXER-UHFFFAOYSA-N 2 2 333.407 3.056 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811530 459747972 /nfs/dbraw/zinc/74/79/72/459747972.db2.gz KCMKIMGNRIWTAT-HKUYNNGSSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811530 459747976 /nfs/dbraw/zinc/74/79/76/459747976.db2.gz KCMKIMGNRIWTAT-HKUYNNGSSA-N 2 2 343.515 3.060 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000574040510 459772022 /nfs/dbraw/zinc/77/20/22/459772022.db2.gz MYZORBYWDPKAIK-NRFANRHFSA-N 2 2 337.467 3.236 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000574040510 459772025 /nfs/dbraw/zinc/77/20/25/459772025.db2.gz MYZORBYWDPKAIK-NRFANRHFSA-N 2 2 337.467 3.236 10 0 EGAELP CCNc1cc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nc[nH+]1 ZINC000584654263 459779413 /nfs/dbraw/zinc/77/94/13/459779413.db2.gz VTAVVMVRJBZDLI-AEFFLSMTSA-N 2 2 339.487 3.255 10 0 EGAELP CCNc1cc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nc[nH+]1 ZINC000584654263 459779419 /nfs/dbraw/zinc/77/94/19/459779419.db2.gz VTAVVMVRJBZDLI-AEFFLSMTSA-N 2 2 339.487 3.255 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000574268248 459798592 /nfs/dbraw/zinc/79/85/92/459798592.db2.gz UQHUXTSJSZSZJZ-LJQANCHMSA-N 3 2 340.515 3.349 10 0 EGAELP CC(C)OC[C@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000566118178 459808484 /nfs/dbraw/zinc/80/84/84/459808484.db2.gz XPJJHKJZDCDYEF-IEBWSBKVSA-N 2 2 334.504 3.026 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087599 459834303 /nfs/dbraw/zinc/83/43/03/459834303.db2.gz ISTGJVXHCHIOPL-OIISXLGYSA-N 2 2 345.487 3.304 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087599 459834307 /nfs/dbraw/zinc/83/43/07/459834307.db2.gz ISTGJVXHCHIOPL-OIISXLGYSA-N 2 2 345.487 3.304 10 0 EGAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625082194 460025987 /nfs/dbraw/zinc/02/59/87/460025987.db2.gz JKXWIRBAEPLFMD-UHFFFAOYSA-N 2 2 343.446 3.298 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729076 460033360 /nfs/dbraw/zinc/03/33/60/460033360.db2.gz HZBUSGXDOUECEO-OAQYLSRUSA-N 2 2 338.499 3.044 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729076 460033362 /nfs/dbraw/zinc/03/33/62/460033362.db2.gz HZBUSGXDOUECEO-OAQYLSRUSA-N 2 2 338.499 3.044 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729076 460033366 /nfs/dbraw/zinc/03/33/66/460033366.db2.gz HZBUSGXDOUECEO-OAQYLSRUSA-N 2 2 338.499 3.044 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729076 460033371 /nfs/dbraw/zinc/03/33/71/460033371.db2.gz HZBUSGXDOUECEO-OAQYLSRUSA-N 2 2 338.499 3.044 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000625260983 460095090 /nfs/dbraw/zinc/09/50/90/460095090.db2.gz FWPGETDXUZIBJE-SWLSCSKDSA-N 2 2 335.249 3.124 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000625260983 460095096 /nfs/dbraw/zinc/09/50/96/460095096.db2.gz FWPGETDXUZIBJE-SWLSCSKDSA-N 2 2 335.249 3.124 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777459 460261383 /nfs/dbraw/zinc/26/13/83/460261383.db2.gz FQBYKUDPQQKYIJ-AQNXPRMDSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777459 460261386 /nfs/dbraw/zinc/26/13/86/460261386.db2.gz FQBYKUDPQQKYIJ-AQNXPRMDSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777459 460261389 /nfs/dbraw/zinc/26/13/89/460261389.db2.gz FQBYKUDPQQKYIJ-AQNXPRMDSA-N 2 2 346.540 3.247 10 0 EGAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625777459 460261391 /nfs/dbraw/zinc/26/13/91/460261391.db2.gz FQBYKUDPQQKYIJ-AQNXPRMDSA-N 2 2 346.540 3.247 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342479 460499090 /nfs/dbraw/zinc/49/90/90/460499090.db2.gz BPFWKMMZCZFMSJ-YOEHRIQHSA-N 2 2 332.488 3.371 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342479 460499099 /nfs/dbraw/zinc/49/90/99/460499099.db2.gz BPFWKMMZCZFMSJ-YOEHRIQHSA-N 2 2 332.488 3.371 10 0 EGAELP COc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC1CC1 ZINC000623353005 460505884 /nfs/dbraw/zinc/50/58/84/460505884.db2.gz XVUKLHWDRMWRRB-UHFFFAOYSA-N 2 2 337.423 3.216 10 0 EGAELP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635403309 460769350 /nfs/dbraw/zinc/76/93/50/460769350.db2.gz IYTXIALYZSJBMX-QZTJIDSGSA-N 2 2 338.455 3.180 10 0 EGAELP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635403309 460769359 /nfs/dbraw/zinc/76/93/59/460769359.db2.gz IYTXIALYZSJBMX-QZTJIDSGSA-N 2 2 338.455 3.180 10 0 EGAELP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000629558182 460807289 /nfs/dbraw/zinc/80/72/89/460807289.db2.gz CKRLITIEKXXTLM-AWEZNQCLSA-N 2 2 327.266 3.204 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)co1 ZINC000629516741 460790996 /nfs/dbraw/zinc/79/09/96/460790996.db2.gz ONRFHDOVJPMXEB-RDTXWAMCSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)co1 ZINC000629516741 460791001 /nfs/dbraw/zinc/79/10/01/460791001.db2.gz ONRFHDOVJPMXEB-RDTXWAMCSA-N 2 2 329.419 3.445 10 0 EGAELP C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000629518149 460791797 /nfs/dbraw/zinc/79/17/97/460791797.db2.gz DQOYBHKYZWMLBG-NDXORKPFSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C[NH2+]1 ZINC000629541817 460801102 /nfs/dbraw/zinc/80/11/02/460801102.db2.gz WRZSNJRHRGLNIU-LALPHHSUSA-N 2 2 339.277 3.393 10 0 EGAELP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000629558182 460807287 /nfs/dbraw/zinc/80/72/87/460807287.db2.gz CKRLITIEKXXTLM-AWEZNQCLSA-N 2 2 327.266 3.204 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629600767 460822961 /nfs/dbraw/zinc/82/29/61/460822961.db2.gz DGEFRYPIFYWCRG-OALUTQOASA-N 2 2 346.515 3.156 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629600767 460822967 /nfs/dbraw/zinc/82/29/67/460822967.db2.gz DGEFRYPIFYWCRG-OALUTQOASA-N 2 2 346.515 3.156 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cnn(Cc3ccccc3Cl)c1)C2 ZINC000629662473 460854388 /nfs/dbraw/zinc/85/43/88/460854388.db2.gz CODFHTIQBCTTQO-KDURUIRLSA-N 2 2 344.890 3.016 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cnn(Cc3ccccc3Cl)c1)C2 ZINC000629662473 460854394 /nfs/dbraw/zinc/85/43/94/460854394.db2.gz CODFHTIQBCTTQO-KDURUIRLSA-N 2 2 344.890 3.016 10 0 EGAELP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755582 460899794 /nfs/dbraw/zinc/89/97/94/460899794.db2.gz VBSQHHYCZMFEPE-YADHBBJMSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755582 460899801 /nfs/dbraw/zinc/89/98/01/460899801.db2.gz VBSQHHYCZMFEPE-YADHBBJMSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607755582 460899809 /nfs/dbraw/zinc/89/98/09/460899809.db2.gz VBSQHHYCZMFEPE-YADHBBJMSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607755582 460899815 /nfs/dbraw/zinc/89/98/15/460899815.db2.gz VBSQHHYCZMFEPE-YADHBBJMSA-N 2 2 340.511 3.432 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000624189446 460903051 /nfs/dbraw/zinc/90/30/51/460903051.db2.gz KWKJUPJKCLPWQP-VQIMIIECSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000624189446 460903056 /nfs/dbraw/zinc/90/30/56/460903056.db2.gz KWKJUPJKCLPWQP-VQIMIIECSA-N 2 2 329.488 3.319 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617554726 460905752 /nfs/dbraw/zinc/90/57/52/460905752.db2.gz IROGVWSTLNKMCV-MRXNPFEDSA-N 2 2 325.412 3.040 10 0 EGAELP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554726 460905758 /nfs/dbraw/zinc/90/57/58/460905758.db2.gz IROGVWSTLNKMCV-MRXNPFEDSA-N 2 2 325.412 3.040 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621374226 461012490 /nfs/dbraw/zinc/01/24/90/461012490.db2.gz WUANLFKYPIBPTF-FUHWJXTLSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621374226 461012496 /nfs/dbraw/zinc/01/24/96/461012496.db2.gz WUANLFKYPIBPTF-FUHWJXTLSA-N 2 2 329.488 3.465 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186517 461037711 /nfs/dbraw/zinc/03/77/11/461037711.db2.gz NCQRGIAKEDVATG-SFHVURJKSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186517 461037716 /nfs/dbraw/zinc/03/77/16/461037716.db2.gz NCQRGIAKEDVATG-SFHVURJKSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186517 461037721 /nfs/dbraw/zinc/03/77/21/461037721.db2.gz NCQRGIAKEDVATG-SFHVURJKSA-N 2 2 344.499 3.400 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC1CC1 ZINC000628186517 461037724 /nfs/dbraw/zinc/03/77/24/461037724.db2.gz NCQRGIAKEDVATG-SFHVURJKSA-N 2 2 344.499 3.400 10 0 EGAELP c1cc2[nH+]ccc(NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)c2s1 ZINC000624705256 461095991 /nfs/dbraw/zinc/09/59/91/461095991.db2.gz JNCOXUBECOWSMD-HNNXBMFYSA-N 2 2 340.452 3.004 10 0 EGAELP c1cc2[nH+]ccc(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)c2s1 ZINC000624705256 461095995 /nfs/dbraw/zinc/09/59/95/461095995.db2.gz JNCOXUBECOWSMD-HNNXBMFYSA-N 2 2 340.452 3.004 10 0 EGAELP Cc1cc(C)c(CS(=O)(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000630440495 461119471 /nfs/dbraw/zinc/11/94/71/461119471.db2.gz CLZGODKTJHAWRX-UHFFFAOYSA-N 2 2 343.452 3.078 10 0 EGAELP Cc1ccc(C[N@H+](CCc2ccccc2)C[C@@H]2C[NH2+]CCO2)s1 ZINC000662248862 461142503 /nfs/dbraw/zinc/14/25/03/461142503.db2.gz LDGGNGKTOYPVPI-SFHVURJKSA-N 2 2 330.497 3.090 10 0 EGAELP Cc1ccc(C[N@@H+](CCc2ccccc2)C[C@@H]2C[NH2+]CCO2)s1 ZINC000662248862 461142505 /nfs/dbraw/zinc/14/25/05/461142505.db2.gz LDGGNGKTOYPVPI-SFHVURJKSA-N 2 2 330.497 3.090 10 0 EGAELP Cc1cc([C@@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(O)cc1Cl ZINC000668678962 461378598 /nfs/dbraw/zinc/37/85/98/461378598.db2.gz VXIPXXJWUGAOTR-CYBMUJFWSA-N 2 2 348.878 3.143 10 0 EGAELP Cc1cc([C@@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(O)cc1Cl ZINC000668678962 461378606 /nfs/dbraw/zinc/37/86/06/461378606.db2.gz VXIPXXJWUGAOTR-CYBMUJFWSA-N 2 2 348.878 3.143 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H](C)SC3)CCCC2)CC1 ZINC000655712516 461382208 /nfs/dbraw/zinc/38/22/08/461382208.db2.gz SRLLPJQXMKHSRM-JKSUJKDBSA-N 2 2 326.550 3.284 10 0 EGAELP Cn1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000668785046 461433645 /nfs/dbraw/zinc/43/36/45/461433645.db2.gz LYOUOSMPZIILNU-LJQANCHMSA-N 2 2 348.535 3.010 10 0 EGAELP Cn1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000668785046 461433653 /nfs/dbraw/zinc/43/36/53/461433653.db2.gz LYOUOSMPZIILNU-LJQANCHMSA-N 2 2 348.535 3.010 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000668785460 461434025 /nfs/dbraw/zinc/43/40/25/461434025.db2.gz QNFBVHQLDKYHHU-INIZCTEOSA-N 2 2 337.533 3.343 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CCO1 ZINC000668785460 461434036 /nfs/dbraw/zinc/43/40/36/461434036.db2.gz QNFBVHQLDKYHHU-INIZCTEOSA-N 2 2 337.533 3.343 10 0 EGAELP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000631042105 461494175 /nfs/dbraw/zinc/49/41/75/461494175.db2.gz OTHILDZVQCDPMV-UHFFFAOYSA-N 2 2 341.503 3.381 10 0 EGAELP Fc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1OC(F)F ZINC000660004501 461541900 /nfs/dbraw/zinc/54/19/00/461541900.db2.gz XMIHISHTKILRSN-UHFFFAOYSA-N 2 2 337.345 3.144 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000663303316 461548298 /nfs/dbraw/zinc/54/82/98/461548298.db2.gz FSFLBEJBCIVCLS-OCCSQVGLSA-N 2 2 326.843 3.383 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ncnn2C(C)C)c(C)c1 ZINC000631099019 461548526 /nfs/dbraw/zinc/54/85/26/461548526.db2.gz HDDSOEGHNOUYMN-SFHVURJKSA-N 2 2 338.459 3.203 10 0 EGAELP COc1cc2cc[nH+]c(NCc3ccc[nH+]c3N(C)C)c2cc1OC ZINC000663389980 461609379 /nfs/dbraw/zinc/60/93/79/461609379.db2.gz VAZPTVKRBHRJQQ-UHFFFAOYSA-N 2 2 338.411 3.325 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479569 461724703 /nfs/dbraw/zinc/72/47/03/461724703.db2.gz LPQHPYVOULKTAB-DZGCQCFKSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479569 461724708 /nfs/dbraw/zinc/72/47/08/461724708.db2.gz LPQHPYVOULKTAB-DZGCQCFKSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479851 461726138 /nfs/dbraw/zinc/72/61/38/461726138.db2.gz WOLFUODWHBCIJU-UKRRQHHQSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479851 461726146 /nfs/dbraw/zinc/72/61/46/461726146.db2.gz WOLFUODWHBCIJU-UKRRQHHQSA-N 2 2 332.879 3.191 10 0 EGAELP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480368 461726368 /nfs/dbraw/zinc/72/63/68/461726368.db2.gz KTUAESFGIDRTLA-IAGOWNOFSA-N 2 2 326.488 3.410 10 0 EGAELP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480368 461726374 /nfs/dbraw/zinc/72/63/74/461726374.db2.gz KTUAESFGIDRTLA-IAGOWNOFSA-N 2 2 326.488 3.410 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480699 461726817 /nfs/dbraw/zinc/72/68/17/461726817.db2.gz XRXWTINEZDPMHE-CABCVRRESA-N 2 2 347.532 3.187 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480699 461726823 /nfs/dbraw/zinc/72/68/23/461726823.db2.gz XRXWTINEZDPMHE-CABCVRRESA-N 2 2 347.532 3.187 10 0 EGAELP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480370 461727047 /nfs/dbraw/zinc/72/70/47/461727047.db2.gz KTUAESFGIDRTLA-SJORKVTESA-N 2 2 326.488 3.410 10 0 EGAELP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480370 461727054 /nfs/dbraw/zinc/72/70/54/461727054.db2.gz KTUAESFGIDRTLA-SJORKVTESA-N 2 2 326.488 3.410 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000656460197 461750965 /nfs/dbraw/zinc/75/09/65/461750965.db2.gz KTLUYPHGGGMVOB-AWEZNQCLSA-N 2 2 326.469 3.452 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000656460197 461750978 /nfs/dbraw/zinc/75/09/78/461750978.db2.gz KTLUYPHGGGMVOB-AWEZNQCLSA-N 2 2 326.469 3.452 10 0 EGAELP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669700345 461771882 /nfs/dbraw/zinc/77/18/82/461771882.db2.gz VNSQHOHYXDYHEV-GBESFXJTSA-N 2 2 327.472 3.499 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000660467612 461797264 /nfs/dbraw/zinc/79/72/64/461797264.db2.gz OFRLSHCEQHYILS-QGZVFWFLSA-N 2 2 342.886 3.302 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000660467612 461797268 /nfs/dbraw/zinc/79/72/68/461797268.db2.gz OFRLSHCEQHYILS-QGZVFWFLSA-N 2 2 342.886 3.302 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000656701817 461848388 /nfs/dbraw/zinc/84/83/88/461848388.db2.gz CTQRRYDMHMIGPR-ROUUACIJSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000656701817 461848393 /nfs/dbraw/zinc/84/83/93/461848393.db2.gz CTQRRYDMHMIGPR-ROUUACIJSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702306 461848754 /nfs/dbraw/zinc/84/87/54/461848754.db2.gz OIYMMBQXJWULSE-SJORKVTESA-N 2 2 334.504 3.012 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702306 461848763 /nfs/dbraw/zinc/84/87/63/461848763.db2.gz OIYMMBQXJWULSE-SJORKVTESA-N 2 2 334.504 3.012 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901542 461876090 /nfs/dbraw/zinc/87/60/90/461876090.db2.gz QESCVTPTJSYIMS-PVAVHDDUSA-N 2 2 326.444 3.262 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901542 461876096 /nfs/dbraw/zinc/87/60/96/461876096.db2.gz QESCVTPTJSYIMS-PVAVHDDUSA-N 2 2 326.444 3.262 10 0 EGAELP c1cn(-c2ccc(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)cc2)c[nH+]1 ZINC000656792620 461903508 /nfs/dbraw/zinc/90/35/08/461903508.db2.gz UFLQLVSQBBUOKN-FQEVSTJZSA-N 2 2 334.423 3.145 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664009037 461911353 /nfs/dbraw/zinc/91/13/53/461911353.db2.gz QJAYGDXQIIRPKT-UHFFFAOYSA-N 2 2 343.393 3.100 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970153 461914327 /nfs/dbraw/zinc/91/43/27/461914327.db2.gz FPDXKEXUJOSGJE-JXFKEZNVSA-N 2 2 327.472 3.100 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970153 461914330 /nfs/dbraw/zinc/91/43/30/461914330.db2.gz FPDXKEXUJOSGJE-JXFKEZNVSA-N 2 2 327.472 3.100 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648013873 461942872 /nfs/dbraw/zinc/94/28/72/461942872.db2.gz VDIARXJEEKFNBQ-PXNSSMCTSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648013873 461942875 /nfs/dbraw/zinc/94/28/75/461942875.db2.gz VDIARXJEEKFNBQ-PXNSSMCTSA-N 2 2 335.455 3.460 10 0 EGAELP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657307260 462032111 /nfs/dbraw/zinc/03/21/11/462032111.db2.gz DYOKTSNPZKXXMH-UHFFFAOYSA-N 2 2 327.476 3.133 10 0 EGAELP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657307260 462032118 /nfs/dbraw/zinc/03/21/18/462032118.db2.gz DYOKTSNPZKXXMH-UHFFFAOYSA-N 2 2 327.476 3.133 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657335726 462054890 /nfs/dbraw/zinc/05/48/90/462054890.db2.gz LDCZPHYQXZANDD-OAHLLOKOSA-N 2 2 332.245 3.369 10 0 EGAELP Cc1[nH+]cc(C[NH2+]Cc2c(C3CCC3)cnn2C)n1-c1ccccc1 ZINC000657381805 462085156 /nfs/dbraw/zinc/08/51/56/462085156.db2.gz IDMYSNAIRVQHGN-UHFFFAOYSA-N 2 2 335.455 3.472 10 0 EGAELP c1coc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]2CCCO2)c1 ZINC000667551359 462138240 /nfs/dbraw/zinc/13/82/40/462138240.db2.gz JCDLNKKNBGWVCO-LJQANCHMSA-N 2 2 338.411 3.042 10 0 EGAELP c1coc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]2CCCO2)c1 ZINC000667551359 462138241 /nfs/dbraw/zinc/13/82/41/462138241.db2.gz JCDLNKKNBGWVCO-LJQANCHMSA-N 2 2 338.411 3.042 10 0 EGAELP COc1ccc(CC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667569323 462149909 /nfs/dbraw/zinc/14/99/09/462149909.db2.gz GYKYUZUVOJQKBB-UHFFFAOYSA-N 2 2 325.456 3.293 10 0 EGAELP Fc1ccc(Oc2cccc(C[NH2+]Cc3c[nH+]c4n3CCC4)n2)cc1 ZINC000657501694 462158225 /nfs/dbraw/zinc/15/82/25/462158225.db2.gz VXRJVEZKOGAISG-UHFFFAOYSA-N 2 2 338.386 3.446 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524459 462167422 /nfs/dbraw/zinc/16/74/22/462167422.db2.gz OZBARRCTSRQKPD-IBGZPJMESA-N 3 2 345.531 3.124 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524459 462167426 /nfs/dbraw/zinc/16/74/26/462167426.db2.gz OZBARRCTSRQKPD-IBGZPJMESA-N 3 2 345.531 3.124 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527370 462168009 /nfs/dbraw/zinc/16/80/09/462168009.db2.gz UHRNAYXCDPTHEN-LJQANCHMSA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527370 462168013 /nfs/dbraw/zinc/16/80/13/462168013.db2.gz UHRNAYXCDPTHEN-LJQANCHMSA-N 2 2 326.488 3.452 10 0 EGAELP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000657692105 462232751 /nfs/dbraw/zinc/23/27/51/462232751.db2.gz YVBQXTYMIAAENO-YJBOKZPZSA-N 2 2 341.484 3.168 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000657883393 462306739 /nfs/dbraw/zinc/30/67/39/462306739.db2.gz RQUFAJONBZPAHF-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000657883393 462306744 /nfs/dbraw/zinc/30/67/44/462306744.db2.gz RQUFAJONBZPAHF-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)C[NH+]1CCOCC1 ZINC000651720185 462314559 /nfs/dbraw/zinc/31/45/59/462314559.db2.gz SKFLNXZPUZOFHR-IUODEOHRSA-N 2 2 326.843 3.024 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000657979125 462335725 /nfs/dbraw/zinc/33/57/25/462335725.db2.gz PMGXSGKGNYDNLX-UXPWSPDFSA-N 2 2 334.504 3.099 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055808 462359757 /nfs/dbraw/zinc/35/97/57/462359757.db2.gz JLYBURXYMLCAOP-XJKSGUPXSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055808 462359762 /nfs/dbraw/zinc/35/97/62/462359762.db2.gz JLYBURXYMLCAOP-XJKSGUPXSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1O ZINC000665252271 462368712 /nfs/dbraw/zinc/36/87/12/462368712.db2.gz LNXDNCGRGQZHBA-ZTFGCOKTSA-N 2 2 326.440 3.197 10 0 EGAELP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)n1 ZINC000665253858 462370982 /nfs/dbraw/zinc/37/09/82/462370982.db2.gz BENMBYIFOOGJCR-CDHQVMDDSA-N 2 2 344.478 3.269 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C12CCC2 ZINC000665256161 462371328 /nfs/dbraw/zinc/37/13/28/462371328.db2.gz QNQJXNUEFLLXNR-UAFMIMERSA-N 2 2 344.499 3.078 10 0 EGAELP NC(=O)CC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658339987 462481776 /nfs/dbraw/zinc/48/17/76/462481776.db2.gz VUTFFTMKVICKMA-IBGZPJMESA-N 2 2 343.515 3.067 10 0 EGAELP NC(=O)CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658339987 462481782 /nfs/dbraw/zinc/48/17/82/462481782.db2.gz VUTFFTMKVICKMA-IBGZPJMESA-N 2 2 343.515 3.067 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658340756 462482105 /nfs/dbraw/zinc/48/21/05/462482105.db2.gz DJJCPAIRRMUSJG-DOTOQJQBSA-N 2 2 343.437 3.123 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658340756 462482110 /nfs/dbraw/zinc/48/21/10/462482110.db2.gz DJJCPAIRRMUSJG-DOTOQJQBSA-N 2 2 343.437 3.123 10 0 EGAELP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000181475524 528131231 /nfs/dbraw/zinc/13/12/31/528131231.db2.gz VHBOCHJGPARNCC-IAGOWNOFSA-N 2 2 328.460 3.197 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)C2 ZINC000369648161 535382214 /nfs/dbraw/zinc/38/22/14/535382214.db2.gz NSJYWKSWXQXDRQ-MRXNPFEDSA-N 2 2 348.535 3.263 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)CC2 ZINC000369648161 535382216 /nfs/dbraw/zinc/38/22/16/535382216.db2.gz NSJYWKSWXQXDRQ-MRXNPFEDSA-N 2 2 348.535 3.263 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000246711969 536174146 /nfs/dbraw/zinc/17/41/46/536174146.db2.gz KJPBRTRTKWFXNS-IAGOWNOFSA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000246711969 536174149 /nfs/dbraw/zinc/17/41/49/536174149.db2.gz KJPBRTRTKWFXNS-IAGOWNOFSA-N 2 2 333.863 3.469 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515970 536509994 /nfs/dbraw/zinc/50/99/94/536509994.db2.gz IMYRXHUYKIXWRK-HNAYVOBHSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515970 536510001 /nfs/dbraw/zinc/51/00/01/536510001.db2.gz IMYRXHUYKIXWRK-HNAYVOBHSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515970 536510004 /nfs/dbraw/zinc/51/00/04/536510004.db2.gz IMYRXHUYKIXWRK-HNAYVOBHSA-N 2 2 346.446 3.061 10 0 EGAELP COC(=O)c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515970 536510009 /nfs/dbraw/zinc/51/00/09/536510009.db2.gz IMYRXHUYKIXWRK-HNAYVOBHSA-N 2 2 346.446 3.061 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1F ZINC000192976995 547209244 /nfs/dbraw/zinc/20/92/44/547209244.db2.gz CXVUVSAXWXLBMU-QGZVFWFLSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1F ZINC000192976995 547209247 /nfs/dbraw/zinc/20/92/47/547209247.db2.gz CXVUVSAXWXLBMU-QGZVFWFLSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1F ZINC000192976995 547209250 /nfs/dbraw/zinc/20/92/50/547209250.db2.gz CXVUVSAXWXLBMU-QGZVFWFLSA-N 2 2 343.446 3.183 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1F ZINC000192976995 547209251 /nfs/dbraw/zinc/20/92/51/547209251.db2.gz CXVUVSAXWXLBMU-QGZVFWFLSA-N 2 2 343.446 3.183 10 0 EGAELP CN(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Cc1ccc(F)cc1 ZINC000248586864 547301081 /nfs/dbraw/zinc/30/10/81/547301081.db2.gz QEXJDXAUWQMEBL-SFHVURJKSA-N 2 2 342.462 3.087 10 0 EGAELP CN(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Cc1ccc(F)cc1 ZINC000248586864 547301089 /nfs/dbraw/zinc/30/10/89/547301089.db2.gz QEXJDXAUWQMEBL-SFHVURJKSA-N 2 2 342.462 3.087 10 0 EGAELP FC(F)(F)c1cccc([C@@]2(F)CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000374630643 547811552 /nfs/dbraw/zinc/81/15/52/547811552.db2.gz YYYWCHLQTBPLNN-OAHLLOKOSA-N 2 2 327.325 3.473 10 0 EGAELP FC(F)(F)c1cccc([C@@]2(F)CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000374630643 547811555 /nfs/dbraw/zinc/81/15/55/547811555.db2.gz YYYWCHLQTBPLNN-OAHLLOKOSA-N 2 2 327.325 3.473 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCOC(C)(C)C ZINC000671625963 548320433 /nfs/dbraw/zinc/32/04/33/548320433.db2.gz JKQODBJZMZVVLJ-AWEZNQCLSA-N 2 2 344.459 3.151 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCOC(C)(C)C ZINC000671625963 548320438 /nfs/dbraw/zinc/32/04/38/548320438.db2.gz JKQODBJZMZVVLJ-AWEZNQCLSA-N 2 2 344.459 3.151 10 0 EGAELP COc1cc(C)[nH+]c(CN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000677441577 549271690 /nfs/dbraw/zinc/27/16/90/549271690.db2.gz VBHZRYKDECHGOA-SFHVURJKSA-N 2 2 339.483 3.495 10 0 EGAELP COc1cc(C)[nH+]c(CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000677441577 549271694 /nfs/dbraw/zinc/27/16/94/549271694.db2.gz VBHZRYKDECHGOA-SFHVURJKSA-N 2 2 339.483 3.495 10 0 EGAELP c1cn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)c[nH+]1 ZINC000678235586 549435916 /nfs/dbraw/zinc/43/59/16/549435916.db2.gz WQQLVMHAICOAIW-HNNXBMFYSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)c[nH+]1 ZINC000678235586 549435920 /nfs/dbraw/zinc/43/59/20/549435920.db2.gz WQQLVMHAICOAIW-HNNXBMFYSA-N 2 2 325.441 3.239 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000678277809 549455886 /nfs/dbraw/zinc/45/58/86/549455886.db2.gz FICJOMONOJCLMS-MAUKXSAKSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000678277809 549455888 /nfs/dbraw/zinc/45/58/88/549455888.db2.gz FICJOMONOJCLMS-MAUKXSAKSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277809 549455893 /nfs/dbraw/zinc/45/58/93/549455893.db2.gz FICJOMONOJCLMS-MAUKXSAKSA-N 2 2 346.906 3.499 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)CC[NH+]1C ZINC000678277809 549455898 /nfs/dbraw/zinc/45/58/98/549455898.db2.gz FICJOMONOJCLMS-MAUKXSAKSA-N 2 2 346.906 3.499 10 0 EGAELP CCc1nnc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)s1 ZINC000680075272 549816440 /nfs/dbraw/zinc/81/64/40/549816440.db2.gz OCJNEMLKBKNUDY-UHFFFAOYSA-N 2 2 336.549 3.435 10 0 EGAELP CCc1nnc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)s1 ZINC000680075272 549816444 /nfs/dbraw/zinc/81/64/44/549816444.db2.gz OCJNEMLKBKNUDY-UHFFFAOYSA-N 2 2 336.549 3.435 10 0 EGAELP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)[NH+]2CCCC2)c1 ZINC000684367760 550320310 /nfs/dbraw/zinc/32/03/10/550320310.db2.gz RUBBKNJQUSCWMP-SXLOBPIMSA-N 2 2 332.488 3.379 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)[nH+]c12 ZINC000684928178 550385480 /nfs/dbraw/zinc/38/54/80/550385480.db2.gz SXJDIYZSVXCDEQ-OKZBNKHCSA-N 2 2 327.472 3.370 10 0 EGAELP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000732821903 575289895 /nfs/dbraw/zinc/28/98/95/575289895.db2.gz CUOROHAOIDJNSF-LJQANCHMSA-N 2 2 325.387 3.143 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2[nH+]1 ZINC000738918500 576369172 /nfs/dbraw/zinc/36/91/72/576369172.db2.gz BXHIBWWWAGIAFM-GOSISDBHSA-N 2 2 349.438 3.163 10 0 EGAELP Cc1cn2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2[nH+]1 ZINC000738918500 576369173 /nfs/dbraw/zinc/36/91/73/576369173.db2.gz BXHIBWWWAGIAFM-GOSISDBHSA-N 2 2 349.438 3.163 10 0 EGAELP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393546 576778633 /nfs/dbraw/zinc/77/86/33/576778633.db2.gz YKZOVPHDVRJZSI-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CCCOC1 ZINC000872056236 1296704697 /nfs/dbraw/zinc/70/46/97/1296704697.db2.gz PHXVSFRSJYLWAC-APWZRJJASA-N 2 2 346.519 3.229 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872152556 1296770110 /nfs/dbraw/zinc/77/01/10/1296770110.db2.gz SZKDKTMYPBWQHX-YPMHNXCESA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872152556 1296770116 /nfs/dbraw/zinc/77/01/16/1296770116.db2.gz SZKDKTMYPBWQHX-YPMHNXCESA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872151967 1296770147 /nfs/dbraw/zinc/77/01/47/1296770147.db2.gz ODEJQXNNFFAVQH-OCCSQVGLSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872151967 1296770164 /nfs/dbraw/zinc/77/01/64/1296770164.db2.gz ODEJQXNNFFAVQH-OCCSQVGLSA-N 2 2 343.780 3.457 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310105078 1297090104 /nfs/dbraw/zinc/09/01/04/1297090104.db2.gz ZUZZKKLRCJAINX-WVVQBRDUSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310105078 1297090120 /nfs/dbraw/zinc/09/01/20/1297090120.db2.gz ZUZZKKLRCJAINX-WVVQBRDUSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310105078 1297090137 /nfs/dbraw/zinc/09/01/37/1297090137.db2.gz ZUZZKKLRCJAINX-WVVQBRDUSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310105078 1297090151 /nfs/dbraw/zinc/09/01/51/1297090151.db2.gz ZUZZKKLRCJAINX-WVVQBRDUSA-N 3 2 327.516 3.113 10 0 EGAELP CC[NH+](CC)CCN(Cc1cccs1)Cc1c(C)cc[nH+]c1N ZINC000893910917 1306125896 /nfs/dbraw/zinc/12/58/96/1306125896.db2.gz JMIYIKDZDLUXTK-UHFFFAOYSA-N 2 2 332.517 3.378 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894208292 1306277841 /nfs/dbraw/zinc/27/78/41/1306277841.db2.gz FRBPGLLWOIDXDB-OAHLLOKOSA-N 2 2 330.501 3.036 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000894208292 1306277851 /nfs/dbraw/zinc/27/78/51/1306277851.db2.gz FRBPGLLWOIDXDB-OAHLLOKOSA-N 2 2 330.501 3.036 10 0 EGAELP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783396 1309069638 /nfs/dbraw/zinc/06/96/38/1309069638.db2.gz SZUBALMNONPXJR-HIFRSBDPSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783396 1309069647 /nfs/dbraw/zinc/06/96/47/1309069647.db2.gz SZUBALMNONPXJR-HIFRSBDPSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783396 1309069655 /nfs/dbraw/zinc/06/96/55/1309069655.db2.gz SZUBALMNONPXJR-HIFRSBDPSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783396 1309069665 /nfs/dbraw/zinc/06/96/65/1309069665.db2.gz SZUBALMNONPXJR-HIFRSBDPSA-N 2 2 338.517 3.475 10 0 EGAELP Cn1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C(F)F)n1 ZINC000895113148 1309196766 /nfs/dbraw/zinc/19/67/66/1309196766.db2.gz UEGPTQQLZZGNDD-HDJSIYSDSA-N 2 2 335.402 3.029 10 0 EGAELP CC(=O)Nc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895114265 1309196780 /nfs/dbraw/zinc/19/67/80/1309196780.db2.gz JVNZGWBGXDPYMY-UAPYVXQJSA-N 2 2 338.455 3.317 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850837 1328603212 /nfs/dbraw/zinc/60/32/12/1328603212.db2.gz ALQXCQJTDZXYCA-WMLDXEAASA-N 2 2 330.501 3.350 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850837 1328603214 /nfs/dbraw/zinc/60/32/14/1328603214.db2.gz ALQXCQJTDZXYCA-WMLDXEAASA-N 2 2 330.501 3.350 10 0 EGAELP Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159705 1328699251 /nfs/dbraw/zinc/69/92/51/1328699251.db2.gz CDXASKZBGNSVMW-ZWKOTPCHSA-N 2 2 343.515 3.180 10 0 EGAELP Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159705 1328699257 /nfs/dbraw/zinc/69/92/57/1328699257.db2.gz CDXASKZBGNSVMW-ZWKOTPCHSA-N 2 2 343.515 3.180 10 0 EGAELP CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000930022218 1328766429 /nfs/dbraw/zinc/76/64/29/1328766429.db2.gz UNDCFSIYUIRREO-LJQANCHMSA-N 2 2 341.455 3.154 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533896 1328790567 /nfs/dbraw/zinc/79/05/67/1328790567.db2.gz YDBIGJCBRNKKKR-HNAYVOBHSA-N 2 2 343.471 3.311 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533896 1328790571 /nfs/dbraw/zinc/79/05/71/1328790571.db2.gz YDBIGJCBRNKKKR-HNAYVOBHSA-N 2 2 343.471 3.311 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)[nH+]1 ZINC000930478270 1328868238 /nfs/dbraw/zinc/86/82/38/1328868238.db2.gz YYZOWVOJRBLXNV-DETPVDSQSA-N 2 2 336.480 3.150 10 0 EGAELP CCO[C@@H](C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1)C[NH+](C)C ZINC000922756314 1322611474 /nfs/dbraw/zinc/61/14/74/1322611474.db2.gz IIXSUYZYWATHPZ-IBGZPJMESA-N 2 2 343.471 3.239 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000923426857 1322749852 /nfs/dbraw/zinc/74/98/52/1322749852.db2.gz HFQFDCYBSQVBQQ-HUUCEWRRSA-N 2 2 329.271 3.291 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000924535138 1323046819 /nfs/dbraw/zinc/04/68/19/1323046819.db2.gz VHSFNOAIVXBHHU-AWEZNQCLSA-N 2 2 335.249 3.098 10 0 EGAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000924584283 1323063215 /nfs/dbraw/zinc/06/32/15/1323063215.db2.gz VLMKZGSRCJOLQR-HNNXBMFYSA-N 2 2 327.476 3.053 10 0 EGAELP Cc1[nH]c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931185285 1329067883 /nfs/dbraw/zinc/06/78/83/1329067883.db2.gz LFPDAAPHUNMOAN-OAHLLOKOSA-N 2 2 334.464 3.048 10 0 EGAELP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924952009 1323225633 /nfs/dbraw/zinc/22/56/33/1323225633.db2.gz MMKCMIGJPHXQAX-SJORKVTESA-N 2 2 339.474 3.030 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccns1 ZINC000924965094 1323230001 /nfs/dbraw/zinc/23/00/01/1323230001.db2.gz VTJOCOSLQYXSEM-ZIAGYGMSSA-N 2 2 348.491 3.446 10 0 EGAELP C[C@H]1CC2(CC([NH2+]CC3([NH+]4CCSCC4)CCCCC3)C2)CO1 ZINC000925038391 1323253457 /nfs/dbraw/zinc/25/34/57/1323253457.db2.gz TZRYFOOQPWYIQI-AOCRQIFASA-N 2 2 338.561 3.285 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000925076944 1323268703 /nfs/dbraw/zinc/26/87/03/1323268703.db2.gz BDULLMXMZWFEID-KURKYZTESA-N 2 2 348.535 3.007 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000925076944 1323268709 /nfs/dbraw/zinc/26/87/09/1323268709.db2.gz BDULLMXMZWFEID-KURKYZTESA-N 2 2 348.535 3.007 10 0 EGAELP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000925534921 1325196281 /nfs/dbraw/zinc/19/62/81/1325196281.db2.gz RLORQSIECKMXBS-DOMZBBRYSA-N 2 2 339.277 3.091 10 0 EGAELP Cn1c(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nc2cc(Cl)ccc21 ZINC000925642829 1325244897 /nfs/dbraw/zinc/24/48/97/1325244897.db2.gz HBOKEMVWZDDWJW-DQYPLSBCSA-N 2 2 332.879 3.093 10 0 EGAELP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ncc(Br)cc1F ZINC000925839208 1325322396 /nfs/dbraw/zinc/32/23/96/1325322396.db2.gz HBALCMIQCKILRP-PSOPSSQASA-N 2 2 342.256 3.166 10 0 EGAELP CC(C)[C@H]1COCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905226 1325352727 /nfs/dbraw/zinc/35/27/27/1325352727.db2.gz DYRZTFHHROOUHE-MOPGFXCFSA-N 2 2 346.519 3.085 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286628 1325504681 /nfs/dbraw/zinc/50/46/81/1325504681.db2.gz IQOSNMMHUPSEAR-YOEHRIQHSA-N 2 2 337.895 3.203 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286628 1325504685 /nfs/dbraw/zinc/50/46/85/1325504685.db2.gz IQOSNMMHUPSEAR-YOEHRIQHSA-N 2 2 337.895 3.203 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(Cl)c1 ZINC000926314122 1325513354 /nfs/dbraw/zinc/51/33/54/1325513354.db2.gz GRBFRISGDHESOD-GVDBMIGSSA-N 2 2 326.843 3.119 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)cc(Cl)c1 ZINC000926314122 1325513360 /nfs/dbraw/zinc/51/33/60/1325513360.db2.gz GRBFRISGDHESOD-GVDBMIGSSA-N 2 2 326.843 3.119 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C2 ZINC000926451011 1325558866 /nfs/dbraw/zinc/55/88/66/1325558866.db2.gz VCMYMCJEIWQIKC-RTBURBONSA-N 2 2 332.451 3.106 10 0 EGAELP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957459 1327795438 /nfs/dbraw/zinc/79/54/38/1327795438.db2.gz IEZMEAFIQNNVMC-AZUAARDMSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957459 1327795440 /nfs/dbraw/zinc/79/54/40/1327795440.db2.gz IEZMEAFIQNNVMC-AZUAARDMSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCCCO1 ZINC000926961785 1327798868 /nfs/dbraw/zinc/79/88/68/1327798868.db2.gz YHPDWMMFSYSNIA-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCCCO1 ZINC000926961785 1327798877 /nfs/dbraw/zinc/79/88/77/1327798877.db2.gz YHPDWMMFSYSNIA-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C)C[NH+](C)C ZINC000926961207 1327799584 /nfs/dbraw/zinc/79/95/84/1327799584.db2.gz IFSKIJZDBFYSSG-ZBFHGGJFSA-N 2 2 334.460 3.367 10 0 EGAELP Cc1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccnc1F ZINC000862285325 1329473722 /nfs/dbraw/zinc/47/37/22/1329473722.db2.gz NUMPWOSMTSXYFZ-UHFFFAOYSA-N 2 2 343.450 3.067 10 0 EGAELP C[C@H](NC(=O)OC(C)(C)C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000863983644 1329592594 /nfs/dbraw/zinc/59/25/94/1329592594.db2.gz KNKGNSFNYKHOJB-YJBOKZPZSA-N 2 2 347.503 3.325 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866392394 1330105738 /nfs/dbraw/zinc/10/57/38/1330105738.db2.gz CILAXXJNLVEKFB-JSGCOSHPSA-N 2 2 349.862 3.385 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866530918 1330122669 /nfs/dbraw/zinc/12/26/69/1330122669.db2.gz NWIYSXHDMQLNEP-LPHOPBHVSA-N 2 2 341.455 3.109 10 0 EGAELP Clc1ccc(N2CC[NH+](CCC[NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC001193240592 1367975701 /nfs/dbraw/zinc/97/57/01/1367975701.db2.gz VBTGZFLBZPYHCN-UHFFFAOYSA-N 2 2 333.907 3.384 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC001198790746 1369115226 /nfs/dbraw/zinc/11/52/26/1369115226.db2.gz NPSUAVZEKOISIG-WMZOPIPTSA-N 2 2 335.492 3.361 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC001198790746 1369115228 /nfs/dbraw/zinc/11/52/28/1369115228.db2.gz NPSUAVZEKOISIG-WMZOPIPTSA-N 2 2 335.492 3.361 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901490 1388075209 /nfs/dbraw/zinc/07/52/09/1388075209.db2.gz XAYHTFVXEBIPJQ-ZAWLATJESA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901490 1388075215 /nfs/dbraw/zinc/07/52/15/1388075215.db2.gz XAYHTFVXEBIPJQ-ZAWLATJESA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901490 1388075221 /nfs/dbraw/zinc/07/52/21/1388075221.db2.gz XAYHTFVXEBIPJQ-ZAWLATJESA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901490 1388075228 /nfs/dbraw/zinc/07/52/28/1388075228.db2.gz XAYHTFVXEBIPJQ-ZAWLATJESA-N 2 2 344.503 3.015 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001326380836 1388171105 /nfs/dbraw/zinc/17/11/05/1388171105.db2.gz KQWJFZKFKHPKDY-IAGOWNOFSA-N 2 2 346.519 3.099 10 0 EGAELP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001326594968 1388252269 /nfs/dbraw/zinc/25/22/69/1388252269.db2.gz DHAIDTNLKLVIET-NVXWUHKLSA-N 2 2 336.439 3.058 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC001326614471 1388258984 /nfs/dbraw/zinc/25/89/84/1388258984.db2.gz OTUFVMMLPCEVNH-GOSISDBHSA-N 2 2 349.482 3.369 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC001326614471 1388258988 /nfs/dbraw/zinc/25/89/88/1388258988.db2.gz OTUFVMMLPCEVNH-GOSISDBHSA-N 2 2 349.482 3.369 10 0 EGAELP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001135461956 1377104876 /nfs/dbraw/zinc/10/48/76/1377104876.db2.gz UNWCGRAOJKIMLC-INIZCTEOSA-N 2 2 349.862 3.027 10 0 EGAELP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266102381 1377186199 /nfs/dbraw/zinc/18/61/99/1377186199.db2.gz IZBBJQGPPKGPFB-INIZCTEOSA-N 2 2 328.460 3.290 10 0 EGAELP CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266102381 1377186201 /nfs/dbraw/zinc/18/62/01/1377186201.db2.gz IZBBJQGPPKGPFB-INIZCTEOSA-N 2 2 328.460 3.290 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855892 1377396428 /nfs/dbraw/zinc/39/64/28/1377396428.db2.gz HOMQVGGELTVYGE-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855892 1377396435 /nfs/dbraw/zinc/39/64/35/1377396435.db2.gz HOMQVGGELTVYGE-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855893 1377396830 /nfs/dbraw/zinc/39/68/30/1377396830.db2.gz HOMQVGGELTVYGE-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1)n1cc[nH+]c1 ZINC001266855893 1377396831 /nfs/dbraw/zinc/39/68/31/1377396831.db2.gz HOMQVGGELTVYGE-IEBWSBKVSA-N 2 2 346.519 3.385 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331929 1377550898 /nfs/dbraw/zinc/55/08/98/1377550898.db2.gz PKVODUNPKLCCKM-RTBURBONSA-N 2 2 346.519 3.193 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001269331929 1377550899 /nfs/dbraw/zinc/55/08/99/1377550899.db2.gz PKVODUNPKLCCKM-RTBURBONSA-N 2 2 346.519 3.193 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001269756534 1377569352 /nfs/dbraw/zinc/56/93/52/1377569352.db2.gz YFOZGDQGTBLJEH-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP CCOC(=O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC001167251785 1383576301 /nfs/dbraw/zinc/57/63/01/1383576301.db2.gz JRUUNCQFWISZGR-UHFFFAOYSA-N 2 2 329.444 3.037 10 0 EGAELP CCOC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC001167251785 1383576304 /nfs/dbraw/zinc/57/63/04/1383576304.db2.gz JRUUNCQFWISZGR-UHFFFAOYSA-N 2 2 329.444 3.037 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCN3CCc4ccccc4C3)c2)c[nH+]1 ZINC001308190039 1384107466 /nfs/dbraw/zinc/10/74/66/1384107466.db2.gz SNNJWSDANXEVSZ-UHFFFAOYSA-N 2 2 338.480 3.082 10 0 EGAELP Cc1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc(C)[nH+]1 ZINC001312891719 1384377814 /nfs/dbraw/zinc/37/78/14/1384377814.db2.gz ILMRMYOLWWOHJF-IBGZPJMESA-N 2 2 344.503 3.295 10 0 EGAELP Cc1cc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc(C)[nH+]1 ZINC001312891719 1384377816 /nfs/dbraw/zinc/37/78/16/1384377816.db2.gz ILMRMYOLWWOHJF-IBGZPJMESA-N 2 2 344.503 3.295 10 0 EGAELP CN(C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001316611194 1384481594 /nfs/dbraw/zinc/48/15/94/1384481594.db2.gz ODQKIYSOGGIHSI-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CN(C[C@@H]1CC[N@H+]1CCC1=CCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001316611194 1384481597 /nfs/dbraw/zinc/48/15/97/1384481597.db2.gz ODQKIYSOGGIHSI-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001316619748 1384485648 /nfs/dbraw/zinc/48/56/48/1384485648.db2.gz OSRSPCRIFJMDJG-MAEOIBBWSA-N 2 2 340.471 3.016 10 0 EGAELP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001316879696 1384664350 /nfs/dbraw/zinc/66/43/50/1384664350.db2.gz YGENZHGFAWQNFR-AEFFLSMTSA-N 2 2 342.487 3.416 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329030419 1388937834 /nfs/dbraw/zinc/93/78/34/1388937834.db2.gz AQTZDWPONSASKW-PMKBXARWSA-N 2 2 342.487 3.486 10 0 EGAELP CCCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001317005472 1384765879 /nfs/dbraw/zinc/76/58/79/1384765879.db2.gz GTXNKPMZAYOKGW-UHFFFAOYSA-N 2 2 347.503 3.136 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317190552 1384964446 /nfs/dbraw/zinc/96/44/46/1384964446.db2.gz PEPXOFIEIHQZQC-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317190552 1384964449 /nfs/dbraw/zinc/96/44/49/1384964449.db2.gz PEPXOFIEIHQZQC-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001317844762 1385530203 /nfs/dbraw/zinc/53/02/03/1385530203.db2.gz DCQWKJVRHGTINL-GOSISDBHSA-N 2 2 331.504 3.447 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001317844762 1385530210 /nfs/dbraw/zinc/53/02/10/1385530210.db2.gz DCQWKJVRHGTINL-GOSISDBHSA-N 2 2 331.504 3.447 10 0 EGAELP C[C@H](F)CC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001319027156 1385932903 /nfs/dbraw/zinc/93/29/03/1385932903.db2.gz KEMAFSYFXWJEAV-AWEZNQCLSA-N 2 2 346.450 3.143 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001319379516 1386092656 /nfs/dbraw/zinc/09/26/56/1386092656.db2.gz RQDRZIXTJWZQCY-OAHLLOKOSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001319379516 1386092660 /nfs/dbraw/zinc/09/26/60/1386092660.db2.gz RQDRZIXTJWZQCY-OAHLLOKOSA-N 2 2 346.519 3.043 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319478215 1386139761 /nfs/dbraw/zinc/13/97/61/1386139761.db2.gz SGBOVRJHKRNMCM-LFAOLKIESA-N 2 2 328.460 3.359 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001319826943 1386321276 /nfs/dbraw/zinc/32/12/76/1386321276.db2.gz ONXIHHDSATURKK-SJORKVTESA-N 2 2 348.535 3.484 10 0 EGAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001698659775 1406310471 /nfs/dbraw/zinc/31/04/71/1406310471.db2.gz DIYQFWUFZIOXLA-KXBFYZLASA-N 2 2 334.508 3.043 10 0 EGAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001698684799 1406331839 /nfs/dbraw/zinc/33/18/39/1406331839.db2.gz XWGPCJJAFPQCGZ-QGZVFWFLSA-N 2 2 348.535 3.007 10 0 EGAELP C[C@@H](CC(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001698699877 1406342685 /nfs/dbraw/zinc/34/26/85/1406342685.db2.gz ITPKSEVZFVZEMQ-HFCFLWKCSA-N 2 2 346.519 3.099 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CC3CC(C)(C)C3)ccn12 ZINC001698749717 1406400905 /nfs/dbraw/zinc/40/09/05/1406400905.db2.gz UQVSWXMPJIEGKT-CQSZACIVSA-N 2 2 342.487 3.034 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001331615696 1389830271 /nfs/dbraw/zinc/83/02/71/1389830271.db2.gz MBBQGRUFSKGDIL-KBPBESRZSA-N 2 2 346.450 3.024 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001332187862 1390031114 /nfs/dbraw/zinc/03/11/14/1390031114.db2.gz YUEMOBSRSYKUIE-HOCLYGCPSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001332187862 1390031120 /nfs/dbraw/zinc/03/11/20/1390031120.db2.gz YUEMOBSRSYKUIE-HOCLYGCPSA-N 2 2 328.460 3.336 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001332892580 1390210514 /nfs/dbraw/zinc/21/05/14/1390210514.db2.gz LRKRBPONSMHBMZ-GOSISDBHSA-N 2 2 348.535 3.054 10 0 EGAELP c1cc2c3c([nH]c2c(NC2CC[NH+]([C@H]4CCOC4)CC2)[nH+]1)CCCC3 ZINC001335522376 1390698658 /nfs/dbraw/zinc/69/86/58/1390698658.db2.gz YDMWDRCJHVAVJV-HNNXBMFYSA-N 2 2 340.471 3.107 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001479488018 1392255172 /nfs/dbraw/zinc/25/51/72/1392255172.db2.gz FGMMWRQNZDLHMB-ZWKOTPCHSA-N 2 2 346.519 3.106 10 0 EGAELP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747400 1392364096 /nfs/dbraw/zinc/36/40/96/1392364096.db2.gz YEERTZKHFUCHKS-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747400 1392364102 /nfs/dbraw/zinc/36/41/02/1392364102.db2.gz YEERTZKHFUCHKS-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480079497 1392568999 /nfs/dbraw/zinc/56/89/99/1392568999.db2.gz RLKKWJWVKZNYIW-INIZCTEOSA-N 2 2 342.487 3.393 10 0 EGAELP CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480079497 1392569003 /nfs/dbraw/zinc/56/90/03/1392569003.db2.gz RLKKWJWVKZNYIW-INIZCTEOSA-N 2 2 342.487 3.393 10 0 EGAELP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001480099759 1392584382 /nfs/dbraw/zinc/58/43/82/1392584382.db2.gz JVUURTSZFSVLBV-JCGIZDLHSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001480099759 1392584384 /nfs/dbraw/zinc/58/43/84/1392584384.db2.gz JVUURTSZFSVLBV-JCGIZDLHSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001481338949 1393166984 /nfs/dbraw/zinc/16/69/84/1393166984.db2.gz FMOOCXBCUUEICJ-INIZCTEOSA-N 2 2 344.503 3.059 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433504 1394289495 /nfs/dbraw/zinc/28/94/95/1394289495.db2.gz WWNKEIJAUGKVFN-QGZVFWFLSA-N 2 2 340.471 3.051 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481433504 1394289498 /nfs/dbraw/zinc/28/94/98/1394289498.db2.gz WWNKEIJAUGKVFN-QGZVFWFLSA-N 2 2 340.471 3.051 10 0 EGAELP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001481518620 1394367872 /nfs/dbraw/zinc/36/78/72/1394367872.db2.gz AVKASDATZULHDP-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001481518620 1394367875 /nfs/dbraw/zinc/36/78/75/1394367875.db2.gz AVKASDATZULHDP-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001481518620 1394367880 /nfs/dbraw/zinc/36/78/80/1394367880.db2.gz AVKASDATZULHDP-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001481518620 1394367882 /nfs/dbraw/zinc/36/78/82/1394367882.db2.gz AVKASDATZULHDP-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001481518619 1394368530 /nfs/dbraw/zinc/36/85/30/1394368530.db2.gz AVKASDATZULHDP-KRWDZBQOSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001481518619 1394368534 /nfs/dbraw/zinc/36/85/34/1394368534.db2.gz AVKASDATZULHDP-KRWDZBQOSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001481518619 1394368539 /nfs/dbraw/zinc/36/85/39/1394368539.db2.gz AVKASDATZULHDP-KRWDZBQOSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001481518619 1394368542 /nfs/dbraw/zinc/36/85/42/1394368542.db2.gz AVKASDATZULHDP-KRWDZBQOSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1=CCCCC1 ZINC001481823749 1394546628 /nfs/dbraw/zinc/54/66/28/1394546628.db2.gz KWTXNCXXSZLHIK-MRXNPFEDSA-N 2 2 326.444 3.161 10 0 EGAELP CC(C)CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001481961525 1394622358 /nfs/dbraw/zinc/62/23/58/1394622358.db2.gz NJKNESGYJKESOQ-LPHOPBHVSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482473438 1395028181 /nfs/dbraw/zinc/02/81/81/1395028181.db2.gz RSGVKPLGTBYDGX-IAGOWNOFSA-N 2 2 340.471 3.131 10 0 EGAELP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001482493343 1395045443 /nfs/dbraw/zinc/04/54/43/1395045443.db2.gz LDQQVCKDWPVOQP-QFBILLFUSA-N 2 2 340.471 3.113 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001482497105 1395048751 /nfs/dbraw/zinc/04/87/51/1395048751.db2.gz BOCHXSVYXAKXAV-NTWLCTACSA-N 2 2 346.519 3.224 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001483911029 1395140705 /nfs/dbraw/zinc/14/07/05/1395140705.db2.gz SFFLWANUOIUBOD-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001483916026 1395143427 /nfs/dbraw/zinc/14/34/27/1395143427.db2.gz KMHKKPAXMFAPRK-IRXDYDNUSA-N 2 2 348.535 3.148 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471808 1395406799 /nfs/dbraw/zinc/40/67/99/1395406799.db2.gz CFFJPAAOALMROY-RXHOYGRGSA-N 2 2 344.503 3.113 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471808 1395406805 /nfs/dbraw/zinc/40/68/05/1395406805.db2.gz CFFJPAAOALMROY-RXHOYGRGSA-N 2 2 344.503 3.113 10 0 EGAELP CCC1([NH2+]CCCF)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001484814004 1395548232 /nfs/dbraw/zinc/54/82/32/1395548232.db2.gz FNRFXJVSCKVUNP-UHFFFAOYSA-N 2 2 335.467 3.341 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001485221491 1395716585 /nfs/dbraw/zinc/71/65/85/1395716585.db2.gz ZYMDISVIQQVITN-IAGOWNOFSA-N 2 2 348.535 3.196 10 0 EGAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001495117448 1396516183 /nfs/dbraw/zinc/51/61/83/1396516183.db2.gz KNYAVSHJBRRGPB-QFBILLFUSA-N 2 2 342.487 3.252 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001496403014 1396690011 /nfs/dbraw/zinc/69/00/11/1396690011.db2.gz FBGXQRPAVYUPII-QGZVFWFLSA-N 2 2 334.508 3.070 10 0 EGAELP 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CC(C)(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699025037 1406860944 /nfs/dbraw/zinc/86/09/44/1406860944.db2.gz VISPJKQESWPZRR-GDBMZVCRSA-N 2 2 342.487 3.487 10 0 EGAELP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690027654 1404266468 /nfs/dbraw/zinc/26/64/68/1404266468.db2.gz ULKHSRMRIKJLQT-OSJSJHBBSA-N 2 2 332.492 3.113 10 0 EGAELP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190618 1404393171 /nfs/dbraw/zinc/39/31/71/1404393171.db2.gz ALQVPTQUVUUXIR-ZBFHGGJFSA-N 2 2 346.450 3.095 10 0 EGAELP CC[C@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190618 1404393173 /nfs/dbraw/zinc/39/31/73/1404393173.db2.gz ALQVPTQUVUUXIR-ZBFHGGJFSA-N 2 2 346.450 3.095 10 0 EGAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001690902959 1404811325 /nfs/dbraw/zinc/81/13/25/1404811325.db2.gz GRXVZMWMXCBJJK-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001690902959 1404811327 /nfs/dbraw/zinc/81/13/27/1404811327.db2.gz GRXVZMWMXCBJJK-LJQANCHMSA-N 2 2 344.503 3.134 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691632118 1405369318 /nfs/dbraw/zinc/36/93/18/1405369318.db2.gz GDUCPKIOCREBQZ-ROUUACIJSA-N 2 2 334.508 3.385 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C)n1cc[nH+]c1 ZINC001691787745 1405496990 /nfs/dbraw/zinc/49/69/90/1405496990.db2.gz SGGIWFIOZBSMIU-ROUUACIJSA-N 2 2 334.508 3.192 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C)n1cc[nH+]c1 ZINC001691787745 1405496991 /nfs/dbraw/zinc/49/69/91/1405496991.db2.gz SGGIWFIOZBSMIU-ROUUACIJSA-N 2 2 334.508 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001692254602 1405881196 /nfs/dbraw/zinc/88/11/96/1405881196.db2.gz LCDZYKYBWUCLEY-RBUKOAKNSA-N 2 2 348.535 3.439 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001692254602 1405881201 /nfs/dbraw/zinc/88/12/01/1405881201.db2.gz LCDZYKYBWUCLEY-RBUKOAKNSA-N 2 2 348.535 3.439 10 0 EGAELP CC(C)C[C@H](C(=O)NC1C[NH+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001732103102 1428362379 /nfs/dbraw/zinc/36/23/79/1428362379.db2.gz KYLSFQCRATXHNK-LJQANCHMSA-N 2 2 344.503 3.161 10 0 EGAELP CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732510062 1428629524 /nfs/dbraw/zinc/62/95/24/1428629524.db2.gz CNQVMLJXZGIFMX-LJQANCHMSA-N 2 2 340.471 3.257 10 0 EGAELP CCN(CC[NH2+]Cc1cc(C)sc1C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699214546 1412580314 /nfs/dbraw/zinc/58/03/14/1412580314.db2.gz NQJONDWCOMZBBN-UHFFFAOYSA-N 2 2 348.516 3.004 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001699366847 1412672705 /nfs/dbraw/zinc/67/27/05/1412672705.db2.gz COEHJHXMBDHELU-AEFFLSMTSA-N 2 2 334.508 3.145 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001699408711 1412722606 /nfs/dbraw/zinc/72/26/06/1412722606.db2.gz JXMNWQVAIWHMDU-INIZCTEOSA-N 2 2 347.503 3.088 10 0 EGAELP 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ZINC001700228476 1413684795 /nfs/dbraw/zinc/68/47/95/1413684795.db2.gz WVJNMOFGEFJNTQ-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001700228476 1413684801 /nfs/dbraw/zinc/68/48/01/1413684801.db2.gz WVJNMOFGEFJNTQ-HXUWFJFHSA-N 2 2 346.519 3.237 10 0 EGAELP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001700252831 1413700946 /nfs/dbraw/zinc/70/09/46/1413700946.db2.gz YKKYQAHOJHPDIN-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)CCC[N@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001700252831 1413700950 /nfs/dbraw/zinc/70/09/50/1413700950.db2.gz YKKYQAHOJHPDIN-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001700363506 1413882752 /nfs/dbraw/zinc/88/27/52/1413882752.db2.gz IVQSLWKSZBBPIY-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001700363506 1413882757 /nfs/dbraw/zinc/88/27/57/1413882757.db2.gz IVQSLWKSZBBPIY-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001700363506 1413882764 /nfs/dbraw/zinc/88/27/64/1413882764.db2.gz IVQSLWKSZBBPIY-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001700363506 1413882768 /nfs/dbraw/zinc/88/27/68/1413882768.db2.gz IVQSLWKSZBBPIY-QZTJIDSGSA-N 2 2 346.519 3.093 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700577028 1414251978 /nfs/dbraw/zinc/25/19/78/1414251978.db2.gz UZNPMOCQDLTKSS-HZPDHXFCSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700577028 1414251981 /nfs/dbraw/zinc/25/19/81/1414251981.db2.gz UZNPMOCQDLTKSS-HZPDHXFCSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001700863014 1414512456 /nfs/dbraw/zinc/51/24/56/1414512456.db2.gz LTNJISTVBAFCPQ-OUKKTVCGSA-N 2 2 344.503 3.304 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/nfs/dbraw/zinc/01/85/20/1418018520.db2.gz JRELKSNGECLVTG-INIZCTEOSA-N 2 2 334.508 3.046 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713849979 1418645913 /nfs/dbraw/zinc/64/59/13/1418645913.db2.gz OKGYCFUBPREMHH-ROUUACIJSA-N 2 2 346.519 3.385 10 0 EGAELP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001713858077 1418655039 /nfs/dbraw/zinc/65/50/39/1418655039.db2.gz LFFZRATVLHRLRN-AATRIKPKSA-N 2 2 332.492 3.012 10 0 EGAELP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001714188912 1418995722 /nfs/dbraw/zinc/99/57/22/1418995722.db2.gz YTYBGNHVROYSCO-YLJYHZDGSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC001714322597 1419100850 /nfs/dbraw/zinc/10/08/50/1419100850.db2.gz BJRCUDXJSJVXAW-UHFFFAOYSA-N 2 2 342.487 3.103 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC1CCC(C)CC1 ZINC001714415711 1419153284 /nfs/dbraw/zinc/15/32/84/1419153284.db2.gz ZKLUNKGORHMOPJ-AQFXKWCLSA-N 2 2 342.487 3.116 10 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CGRMRSHPAHXQLZ-MRXNPFEDSA-N 2 2 338.455 3.081 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]C[C@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001715985435 1420443894 /nfs/dbraw/zinc/44/38/94/1420443894.db2.gz LYUOBMDAWFJXSG-ZFWWWQNUSA-N 2 2 339.430 3.150 10 0 EGAELP C[C@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716175910 1420552125 /nfs/dbraw/zinc/55/21/25/1420552125.db2.gz ABMHEAYCAXHJSR-HUUCEWRRSA-N 2 2 348.878 3.172 10 0 EGAELP O=C(NCC=CC[NH2+]C/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001716310545 1420600658 /nfs/dbraw/zinc/60/06/58/1420600658.db2.gz QEGNQXQSEUNMSB-KMOPYBJPSA-N 2 2 346.434 3.152 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001716665312 1420819825 /nfs/dbraw/zinc/81/98/25/1420819825.db2.gz KEIIHSDGKLKFNB-FUHWJXTLSA-N 2 2 349.544 3.012 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001716665312 1420819828 /nfs/dbraw/zinc/81/98/28/1420819828.db2.gz KEIIHSDGKLKFNB-FUHWJXTLSA-N 2 2 349.544 3.012 10 0 EGAELP 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ZINC001716830253 1420957156 /nfs/dbraw/zinc/95/71/56/1420957156.db2.gz MJSUMRKPOILURU-HZQHCPKGSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197137 1421163612 /nfs/dbraw/zinc/16/36/12/1421163612.db2.gz UEAAIWCVUNWUND-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197137 1421163613 /nfs/dbraw/zinc/16/36/13/1421163613.db2.gz UEAAIWCVUNWUND-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717197137 1421163614 /nfs/dbraw/zinc/16/36/14/1421163614.db2.gz UEAAIWCVUNWUND-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717197137 1421163615 /nfs/dbraw/zinc/16/36/15/1421163615.db2.gz UEAAIWCVUNWUND-CGKZAZMGSA-N 2 2 344.503 3.230 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001717217270 1421195532 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/nfs/dbraw/zinc/37/93/08/156379308.db2.gz JEWHBFBVIBKQQU-HKUYNNGSSA-N 2 2 331.504 3.435 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093693969 162022935 /nfs/dbraw/zinc/02/29/35/162022935.db2.gz CAVGRWQORBQGMC-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000093693969 162022937 /nfs/dbraw/zinc/02/29/37/162022937.db2.gz CAVGRWQORBQGMC-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000123257640 162253284 /nfs/dbraw/zinc/25/32/84/162253284.db2.gz GUKYDRHXPKUWNZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000123257640 162253285 /nfs/dbraw/zinc/25/32/85/162253285.db2.gz GUKYDRHXPKUWNZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000123257640 162253287 /nfs/dbraw/zinc/25/32/87/162253287.db2.gz GUKYDRHXPKUWNZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000123257640 162253288 /nfs/dbraw/zinc/25/32/88/162253288.db2.gz GUKYDRHXPKUWNZ-GDBMZVCRSA-N 2 2 329.444 3.265 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C12CCOCC2 ZINC000248629363 163022459 /nfs/dbraw/zinc/02/24/59/163022459.db2.gz GJKUUULWXJOMRR-GSEOLPGOSA-N 2 2 346.515 3.242 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248992010 163049616 /nfs/dbraw/zinc/04/96/16/163049616.db2.gz LFIIFIYKLRCLMG-YSIASYRMSA-N 2 2 346.515 3.071 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248992010 163049619 /nfs/dbraw/zinc/04/96/19/163049619.db2.gz LFIIFIYKLRCLMG-YSIASYRMSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884916 164058186 /nfs/dbraw/zinc/05/81/86/164058186.db2.gz AAAURPCEOUKIFA-OXJNMPFZSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884916 164058188 /nfs/dbraw/zinc/05/81/88/164058188.db2.gz AAAURPCEOUKIFA-OXJNMPFZSA-N 2 2 334.467 3.124 10 0 EGAELP Oc1cccc([C@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346173393 164356621 /nfs/dbraw/zinc/35/66/21/164356621.db2.gz PKHYNSISAKNPAD-GOSISDBHSA-N 2 2 341.436 3.213 10 0 EGAELP Oc1cccc([C@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346173393 164356623 /nfs/dbraw/zinc/35/66/23/164356623.db2.gz PKHYNSISAKNPAD-GOSISDBHSA-N 2 2 341.436 3.213 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352002161 165186668 /nfs/dbraw/zinc/18/66/68/165186668.db2.gz FKAIEBVTXHNMGY-HXUWFJFHSA-N 2 2 346.478 3.451 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352002161 165186670 /nfs/dbraw/zinc/18/66/70/165186670.db2.gz FKAIEBVTXHNMGY-HXUWFJFHSA-N 2 2 346.478 3.451 10 0 EGAELP Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c2cc(F)ccc2[nH+]1 ZINC000359506832 167174946 /nfs/dbraw/zinc/17/49/46/167174946.db2.gz JZMWEALGMUXVFD-UHFFFAOYSA-N 2 2 338.308 3.475 10 0 EGAELP CCOc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359855738 167250375 /nfs/dbraw/zinc/25/03/75/167250375.db2.gz KJUMNMBIZYSWKI-XLIONFOSSA-N 2 2 339.483 3.481 10 0 EGAELP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359855738 167250377 /nfs/dbraw/zinc/25/03/77/167250377.db2.gz KJUMNMBIZYSWKI-XLIONFOSSA-N 2 2 339.483 3.481 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000178298805 265308104 /nfs/dbraw/zinc/30/81/04/265308104.db2.gz JQPKDTNDEZUXEP-QGZVFWFLSA-N 2 2 337.427 3.215 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000178298805 265308112 /nfs/dbraw/zinc/30/81/12/265308112.db2.gz JQPKDTNDEZUXEP-QGZVFWFLSA-N 2 2 337.427 3.215 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020489 266084367 /nfs/dbraw/zinc/08/43/67/266084367.db2.gz DYONUIPBEWJDRT-AAEUAGOBSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020489 266084370 /nfs/dbraw/zinc/08/43/70/266084370.db2.gz DYONUIPBEWJDRT-AAEUAGOBSA-N 2 2 347.322 3.272 10 0 EGAELP Cc1nc(F)ccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000278505391 268027011 /nfs/dbraw/zinc/02/70/11/268027011.db2.gz ODTJJUBFUSBNTD-HNNXBMFYSA-N 2 2 328.435 3.239 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000289531732 276353638 /nfs/dbraw/zinc/35/36/38/276353638.db2.gz GRAGMNFSZSQVMU-IBGZPJMESA-N 2 2 341.430 3.199 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000289531732 276353642 /nfs/dbraw/zinc/35/36/42/276353642.db2.gz GRAGMNFSZSQVMU-IBGZPJMESA-N 2 2 341.430 3.199 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701178 276380455 /nfs/dbraw/zinc/38/04/55/276380455.db2.gz IQDVYYUWGPJDGW-MJGOQNOKSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1N(C)C ZINC000289701178 276380457 /nfs/dbraw/zinc/38/04/57/276380457.db2.gz IQDVYYUWGPJDGW-MJGOQNOKSA-N 2 2 338.499 3.148 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359059819 295001597 /nfs/dbraw/zinc/00/15/97/295001597.db2.gz WBUFQTVYCXLMQG-RWBZWWBESA-N 2 2 345.487 3.321 10 0 EGAELP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075263532 307398679 /nfs/dbraw/zinc/39/86/79/307398679.db2.gz CYGYPXVZRPWDBP-MRXNPFEDSA-N 2 2 348.450 3.425 10 0 EGAELP Fc1ccc(N2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000414352124 309074586 /nfs/dbraw/zinc/07/45/86/309074586.db2.gz SPIRCCXZMVCCAD-SFHVURJKSA-N 2 2 340.446 3.058 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](O)C(F)F ZINC000295066040 308286909 /nfs/dbraw/zinc/28/69/09/308286909.db2.gz OURONDRBEXSQEL-HZPDHXFCSA-N 2 2 346.849 3.299 10 0 EGAELP CC[NH+]1CCN(c2ccccc2N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000297063996 308495150 /nfs/dbraw/zinc/49/51/50/308495150.db2.gz WDEZNXPXNNYQPB-DOTOQJQBSA-N 2 2 325.460 3.143 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414760986 309099295 /nfs/dbraw/zinc/09/92/95/309099295.db2.gz ZPYSXTZCGXGDGC-FQEVSTJZSA-N 3 2 329.532 3.348 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414760986 309099296 /nfs/dbraw/zinc/09/92/96/309099296.db2.gz ZPYSXTZCGXGDGC-FQEVSTJZSA-N 3 2 329.532 3.348 10 0 EGAELP COc1ccc(Br)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414832300 309104401 /nfs/dbraw/zinc/10/44/01/309104401.db2.gz OMPGPSFBQARTAN-INIZCTEOSA-N 2 2 335.245 3.247 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414836984 309104581 /nfs/dbraw/zinc/10/45/81/309104581.db2.gz TWQZCPOOXZUUOQ-OAHLLOKOSA-N 2 2 335.245 3.247 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414942161 309110297 /nfs/dbraw/zinc/11/02/97/309110297.db2.gz ZKYQWFBIZJMQFU-MFKMUULPSA-N 2 2 329.307 3.259 10 0 EGAELP [NH3+]C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCCC1 ZINC000414862038 309106136 /nfs/dbraw/zinc/10/61/36/309106136.db2.gz UJXUDMYXZDJNGG-UHFFFAOYSA-N 3 2 347.522 3.474 10 0 EGAELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000415022080 309114814 /nfs/dbraw/zinc/11/48/14/309114814.db2.gz VCPDXTHWLSITAG-OLZOCXBDSA-N 2 2 331.847 3.418 10 0 EGAELP Brc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415036196 309115772 /nfs/dbraw/zinc/11/57/72/309115772.db2.gz FMSOLFBWYMZABV-CHWSQXEVSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415036196 309115773 /nfs/dbraw/zinc/11/57/73/309115773.db2.gz FMSOLFBWYMZABV-CHWSQXEVSA-N 2 2 329.307 3.475 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000415073085 309118372 /nfs/dbraw/zinc/11/83/72/309118372.db2.gz ZANYAZLROYDKFR-HXUWFJFHSA-N 2 2 334.467 3.439 10 0 EGAELP COC1(C(F)(F)F)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000418099522 309235404 /nfs/dbraw/zinc/23/54/04/309235404.db2.gz NTZONRYQYFMTTE-UHFFFAOYSA-N 2 2 345.390 3.477 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367926 309284510 /nfs/dbraw/zinc/28/45/10/309284510.db2.gz KBQFDUIMTGQUOE-IRLDBZIGSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367926 309284511 /nfs/dbraw/zinc/28/45/11/309284511.db2.gz KBQFDUIMTGQUOE-IRLDBZIGSA-N 2 2 349.478 3.442 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391492 309285975 /nfs/dbraw/zinc/28/59/75/309285975.db2.gz ILKIQCGAGQLQSE-QAPCUYQASA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391492 309285976 /nfs/dbraw/zinc/28/59/76/309285976.db2.gz ILKIQCGAGQLQSE-QAPCUYQASA-N 2 2 342.512 3.273 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420392758 309286152 /nfs/dbraw/zinc/28/61/52/309286152.db2.gz ZXUDIYAZGUWHQP-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420392758 309286153 /nfs/dbraw/zinc/28/61/53/309286153.db2.gz ZXUDIYAZGUWHQP-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP COc1ccc(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422731575 309365641 /nfs/dbraw/zinc/36/56/41/309365641.db2.gz NPVNNTXQMBKAFD-SFTDATJTSA-N 2 2 340.467 3.329 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422848903 309371939 /nfs/dbraw/zinc/37/19/39/309371939.db2.gz BHQHDSQGNSNGFA-UHOSZYNNSA-N 2 2 332.488 3.031 10 0 EGAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(Cl)cccc1Cl ZINC000422879582 309373586 /nfs/dbraw/zinc/37/35/86/309373586.db2.gz MPVOHYZPNIPUHB-PJQXDXOGSA-N 2 2 343.298 3.454 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422888860 309374468 /nfs/dbraw/zinc/37/44/68/309374468.db2.gz DUIIYRXSGDWKCQ-AUUYWEPGSA-N 2 2 341.430 3.166 10 0 EGAELP CC(C)[N@@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039859 309382451 /nfs/dbraw/zinc/38/24/51/309382451.db2.gz GBIXAICHDLYVRD-UYHISHBKSA-N 2 2 339.886 3.200 10 0 EGAELP CC(C)[N@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039859 309382452 /nfs/dbraw/zinc/38/24/52/309382452.db2.gz GBIXAICHDLYVRD-UYHISHBKSA-N 2 2 339.886 3.200 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@H]2CCCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423042252 309382605 /nfs/dbraw/zinc/38/26/05/309382605.db2.gz YVFYXSMAAXPZSR-AQNXPRMDSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423094676 309385847 /nfs/dbraw/zinc/38/58/47/309385847.db2.gz CPDZEXPLHVFOAL-UIFIKXQLSA-N 2 2 346.515 3.267 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2ncccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423157792 309388658 /nfs/dbraw/zinc/38/86/58/309388658.db2.gz VVCXMEADSPWQFG-RTWAWAEBSA-N 2 2 339.483 3.414 10 0 EGAELP COc1cc(C)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1C ZINC000423223789 309391268 /nfs/dbraw/zinc/39/12/68/309391268.db2.gz AOVOGDKIZDGVIN-MRXNPFEDSA-N 2 2 340.471 3.290 10 0 EGAELP Clc1ccc2c(c1)CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423234775 309391833 /nfs/dbraw/zinc/39/18/33/309391833.db2.gz QDXPWFNPSBHLCD-KRWDZBQOSA-N 2 2 328.847 3.244 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000423291440 309394163 /nfs/dbraw/zinc/39/41/63/309394163.db2.gz IHPNURHJDUVMMD-XOBRGWDASA-N 2 2 338.430 3.458 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423352636 309396634 /nfs/dbraw/zinc/39/66/34/309396634.db2.gz ACBBYINZBBXLGV-RVKKMQEKSA-N 2 2 332.492 3.209 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449102727 310037233 /nfs/dbraw/zinc/03/72/33/310037233.db2.gz LEWGYENQRDYTNA-HZMBPMFUSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449102727 310037234 /nfs/dbraw/zinc/03/72/34/310037234.db2.gz LEWGYENQRDYTNA-HZMBPMFUSA-N 2 2 327.241 3.259 10 0 EGAELP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449285929 310050299 /nfs/dbraw/zinc/05/02/99/310050299.db2.gz RQZIQEGJGSCWKQ-FXAWDEMLSA-N 2 2 328.456 3.091 10 0 EGAELP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000449285929 310050300 /nfs/dbraw/zinc/05/03/00/310050300.db2.gz RQZIQEGJGSCWKQ-FXAWDEMLSA-N 2 2 328.456 3.091 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000449293846 310050886 /nfs/dbraw/zinc/05/08/86/310050886.db2.gz JFMXDWGHVIIQKE-QQFBHYJXSA-N 2 2 346.437 3.483 10 0 EGAELP COc1cccnc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449748610 310084037 /nfs/dbraw/zinc/08/40/37/310084037.db2.gz MQQCGCJQVRTLBF-KRWDZBQOSA-N 2 2 339.483 3.275 10 0 EGAELP CCC[C@@H](CC(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450241537 310110497 /nfs/dbraw/zinc/11/04/97/310110497.db2.gz GTVMMSRURPFARJ-GURQWTFNSA-N 2 2 349.563 3.218 10 0 EGAELP CCC[C@@H](CC(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450241537 310110498 /nfs/dbraw/zinc/11/04/98/310110498.db2.gz GTVMMSRURPFARJ-GURQWTFNSA-N 2 2 349.563 3.218 10 0 EGAELP C[N@H+](C[C@@H](O)CC1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108388 310212685 /nfs/dbraw/zinc/21/26/85/310212685.db2.gz DNWSQTXMMFZZKK-INIZCTEOSA-N 2 2 336.442 3.276 10 0 EGAELP C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108388 310212686 /nfs/dbraw/zinc/21/26/86/310212686.db2.gz DNWSQTXMMFZZKK-INIZCTEOSA-N 2 2 336.442 3.276 10 0 EGAELP CCC(CC)[C@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)[NH+]1CCCC1 ZINC000453094875 310257585 /nfs/dbraw/zinc/25/75/85/310257585.db2.gz UPKDQJGZNIEGNN-WMZOPIPTSA-N 2 2 326.525 3.061 10 0 EGAELP COC1([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000453114083 310258956 /nfs/dbraw/zinc/25/89/56/310258956.db2.gz HLVZZEYGNSZQLD-IAGOWNOFSA-N 2 2 334.504 3.290 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258625 310267452 /nfs/dbraw/zinc/26/74/52/310267452.db2.gz IAPVKWFMCRLWPQ-HOTGVXAUSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)c2ccccc21 ZINC000453258625 310267453 /nfs/dbraw/zinc/26/74/53/310267453.db2.gz IAPVKWFMCRLWPQ-HOTGVXAUSA-N 2 2 330.447 3.476 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453273241 310268418 /nfs/dbraw/zinc/26/84/18/310268418.db2.gz VNGJIDWYDOTMMO-CABCVRRESA-N 2 2 342.430 3.094 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272814 310268477 /nfs/dbraw/zinc/26/84/77/310268477.db2.gz VIMAWLZIDJBMAW-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272814 310268478 /nfs/dbraw/zinc/26/84/78/310268478.db2.gz VIMAWLZIDJBMAW-YJBOKZPZSA-N 2 2 326.431 3.098 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453346237 310272276 /nfs/dbraw/zinc/27/22/76/310272276.db2.gz BAVDSUHBZZHNCE-AEFFLSMTSA-N 2 2 325.456 3.090 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453346237 310272277 /nfs/dbraw/zinc/27/22/77/310272277.db2.gz BAVDSUHBZZHNCE-AEFFLSMTSA-N 2 2 325.456 3.090 10 0 EGAELP CC1CC[NH+]([C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)c2cccs2)CC1 ZINC000494872868 311519226 /nfs/dbraw/zinc/51/92/26/311519226.db2.gz HZMUSAVUCDAOGH-RDJZCZTQSA-N 2 2 349.544 3.168 10 0 EGAELP COc1cncc(/C=C/CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000514858796 312250016 /nfs/dbraw/zinc/25/00/16/312250016.db2.gz GEIANSUVRLOQAT-HWKANZROSA-N 2 2 338.455 3.019 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490873 312285641 /nfs/dbraw/zinc/28/56/41/312285641.db2.gz UEKLRTGZMJYCLN-SKDZVZGDSA-N 2 2 346.862 3.049 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000515490873 312285644 /nfs/dbraw/zinc/28/56/44/312285644.db2.gz UEKLRTGZMJYCLN-SKDZVZGDSA-N 2 2 346.862 3.049 10 0 EGAELP C[N@@H+](Cc1cc(CO)ccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528393859 313082216 /nfs/dbraw/zinc/08/22/16/313082216.db2.gz KDPAREAFTORJMC-IBGZPJMESA-N 2 2 342.458 3.272 10 0 EGAELP C[N@H+](Cc1cc(CO)ccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528393859 313082220 /nfs/dbraw/zinc/08/22/20/313082220.db2.gz KDPAREAFTORJMC-IBGZPJMESA-N 2 2 342.458 3.272 10 0 EGAELP C[NH+](Cc1cc(CO)ccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528393859 313082225 /nfs/dbraw/zinc/08/22/25/313082225.db2.gz KDPAREAFTORJMC-IBGZPJMESA-N 2 2 342.458 3.272 10 0 EGAELP C[NH+](Cc1cc(CO)ccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528393859 313082227 /nfs/dbraw/zinc/08/22/27/313082227.db2.gz KDPAREAFTORJMC-IBGZPJMESA-N 2 2 342.458 3.272 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417977 313088498 /nfs/dbraw/zinc/08/84/98/313088498.db2.gz VQOOEPXFSKADMH-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417977 313088502 /nfs/dbraw/zinc/08/85/02/313088502.db2.gz VQOOEPXFSKADMH-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417977 313088505 /nfs/dbraw/zinc/08/85/05/313088505.db2.gz VQOOEPXFSKADMH-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000528417977 313088508 /nfs/dbraw/zinc/08/85/08/313088508.db2.gz VQOOEPXFSKADMH-MLGOLLRUSA-N 2 2 341.858 3.080 10 0 EGAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000529229796 313278040 /nfs/dbraw/zinc/27/80/40/313278040.db2.gz BRRALINVTYJIEG-UHFFFAOYSA-N 2 2 335.411 3.030 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527906 313344392 /nfs/dbraw/zinc/34/43/92/313344392.db2.gz GRCGXBSQCRPTBE-WMLDXEAASA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527906 313344397 /nfs/dbraw/zinc/34/43/97/313344397.db2.gz GRCGXBSQCRPTBE-WMLDXEAASA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527906 313344399 /nfs/dbraw/zinc/34/43/99/313344399.db2.gz GRCGXBSQCRPTBE-WMLDXEAASA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(F)cc1OC ZINC000529527906 313344404 /nfs/dbraw/zinc/34/44/04/313344404.db2.gz GRCGXBSQCRPTBE-WMLDXEAASA-N 2 2 338.467 3.395 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217475 313499194 /nfs/dbraw/zinc/49/91/94/313499194.db2.gz TVMJBKUECOKYGA-PMACEKPBSA-N 2 2 337.467 3.248 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000534976782 314009119 /nfs/dbraw/zinc/00/91/19/314009119.db2.gz RKNMFQDKIRZPAD-UHFFFAOYSA-N 2 2 331.847 3.244 10 0 EGAELP Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c[nH+]1 ZINC000535060055 314022131 /nfs/dbraw/zinc/02/21/31/314022131.db2.gz YUZPLVWWIIMDMJ-UHFFFAOYSA-N 2 2 338.455 3.038 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824424 314147552 /nfs/dbraw/zinc/14/75/52/314147552.db2.gz BBXCXJFHHUOCPT-MXKPZRPRSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000536824424 314147555 /nfs/dbraw/zinc/14/75/55/314147555.db2.gz BBXCXJFHHUOCPT-MXKPZRPRSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824424 314147560 /nfs/dbraw/zinc/14/75/60/314147560.db2.gz BBXCXJFHHUOCPT-MXKPZRPRSA-N 3 2 341.543 3.359 10 0 EGAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000536824424 314147563 /nfs/dbraw/zinc/14/75/63/314147563.db2.gz BBXCXJFHHUOCPT-MXKPZRPRSA-N 3 2 341.543 3.359 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000563419654 316018772 /nfs/dbraw/zinc/01/87/72/316018772.db2.gz ZGAMCROWQMAZOA-UHFFFAOYSA-N 2 2 346.906 3.384 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000563780358 316067125 /nfs/dbraw/zinc/06/71/25/316067125.db2.gz SRCRAACXPIMFTK-WOJBJXKFSA-N 2 2 349.482 3.481 10 0 EGAELP COc1c[nH+]ccc1N1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000564798386 316207451 /nfs/dbraw/zinc/20/74/51/316207451.db2.gz FAAFOYBGHYTZFH-UHFFFAOYSA-N 2 2 334.423 3.273 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000565477868 316329506 /nfs/dbraw/zinc/32/95/06/316329506.db2.gz HCTWOQWRHOCIAX-UHFFFAOYSA-N 2 2 343.446 3.313 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000163428039 454846114 /nfs/dbraw/zinc/84/61/14/454846114.db2.gz SZQUGHVFWUJJHD-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000163428039 454846119 /nfs/dbraw/zinc/84/61/19/454846119.db2.gz SZQUGHVFWUJJHD-HIFRSBDPSA-N 2 2 326.868 3.110 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570161446 317016033 /nfs/dbraw/zinc/01/60/33/317016033.db2.gz XEGKVKOWYZTXER-HXUWFJFHSA-N 3 2 338.499 3.368 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570161446 317016036 /nfs/dbraw/zinc/01/60/36/317016036.db2.gz XEGKVKOWYZTXER-HXUWFJFHSA-N 3 2 338.499 3.368 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000570511673 317066164 /nfs/dbraw/zinc/06/61/64/317066164.db2.gz YGGSNOBBKPJOPI-UHFFFAOYSA-N 2 2 334.423 3.387 10 0 EGAELP C[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178391156 454953796 /nfs/dbraw/zinc/95/37/96/454953796.db2.gz BCJDEXIIAOXAEO-HNNXBMFYSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397987 324020548 /nfs/dbraw/zinc/02/05/48/324020548.db2.gz AWVUCBGJUVDJCE-YLJYHZDGSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397987 324020551 /nfs/dbraw/zinc/02/05/51/324020551.db2.gz AWVUCBGJUVDJCE-YLJYHZDGSA-N 2 2 328.500 3.446 10 0 EGAELP c1[nH+]cn2ccc(-c3noc(CCc4[nH]c5ccccc5[nH+]4)n3)cc12 ZINC000351053642 324159740 /nfs/dbraw/zinc/15/97/40/324159740.db2.gz WXIAAHOKHMAIDP-UHFFFAOYSA-N 2 2 330.351 3.046 10 0 EGAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000389972891 324282584 /nfs/dbraw/zinc/28/25/84/324282584.db2.gz YBUNDBAQYXYRSB-PCCBWWKXSA-N 2 2 338.499 3.332 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)Cc2ccccc2)c(C)c1 ZINC000579029600 325052792 /nfs/dbraw/zinc/05/27/92/325052792.db2.gz FFGYBKFLPUDKKN-RBBKRZOGSA-N 2 2 349.478 3.434 10 0 EGAELP CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(N)=O ZINC000579434958 325107922 /nfs/dbraw/zinc/10/79/22/325107922.db2.gz HCLBJMZWEPNWNX-AWEZNQCLSA-N 2 2 346.500 3.047 10 0 EGAELP CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1)C(N)=O ZINC000579434958 325107924 /nfs/dbraw/zinc/10/79/24/325107924.db2.gz HCLBJMZWEPNWNX-AWEZNQCLSA-N 2 2 346.500 3.047 10 0 EGAELP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1CCCC1 ZINC000580305501 325231829 /nfs/dbraw/zinc/23/18/29/325231829.db2.gz GVJYNUMVYALDFH-OFLPRAFFSA-N 2 2 348.453 3.323 10 0 EGAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020508 325321866 /nfs/dbraw/zinc/32/18/66/325321866.db2.gz XTCASDQTLQBTLZ-GWCFXTLKSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020508 325321869 /nfs/dbraw/zinc/32/18/69/325321869.db2.gz XTCASDQTLQBTLZ-GWCFXTLKSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661454 455221273 /nfs/dbraw/zinc/22/12/73/455221273.db2.gz LMDIKWCXEFQQBV-AWEZNQCLSA-N 2 2 338.386 3.301 10 0 EGAELP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917966 455253236 /nfs/dbraw/zinc/25/32/36/455253236.db2.gz IAFCVGQQAMDWCN-DLBZAZTESA-N 2 2 342.487 3.416 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000158161177 455275961 /nfs/dbraw/zinc/27/59/61/455275961.db2.gz FYMIWAUPCLKFKX-RTBURBONSA-N 2 2 342.491 3.277 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000158161177 455275964 /nfs/dbraw/zinc/27/59/64/455275964.db2.gz FYMIWAUPCLKFKX-RTBURBONSA-N 2 2 342.491 3.277 10 0 EGAELP Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C2CC2)[nH+]1 ZINC000190448494 455319337 /nfs/dbraw/zinc/31/93/37/455319337.db2.gz UPJBREDIIYQIQI-KRWDZBQOSA-N 2 2 337.471 3.016 10 0 EGAELP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(C2CC2)[nH+]1 ZINC000190448494 455319341 /nfs/dbraw/zinc/31/93/41/455319341.db2.gz UPJBREDIIYQIQI-KRWDZBQOSA-N 2 2 337.471 3.016 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245578750 455333825 /nfs/dbraw/zinc/33/38/25/455333825.db2.gz IHCHCUSUTSJOQY-WMLDXEAASA-N 2 2 344.484 3.127 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245578750 455333827 /nfs/dbraw/zinc/33/38/27/455333827.db2.gz IHCHCUSUTSJOQY-WMLDXEAASA-N 2 2 344.484 3.127 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCC2 ZINC000181479993 455341091 /nfs/dbraw/zinc/34/10/91/455341091.db2.gz VGBTUYULQDYBRF-RTBURBONSA-N 2 2 325.456 3.369 10 0 EGAELP Cn1cc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495726 460580990 /nfs/dbraw/zinc/58/09/90/460580990.db2.gz PQABDMRVXMNHSO-ZWKOTPCHSA-N 2 2 330.451 3.111 10 0 EGAELP Cn1cc([C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495726 460580993 /nfs/dbraw/zinc/58/09/93/460580993.db2.gz PQABDMRVXMNHSO-ZWKOTPCHSA-N 2 2 330.451 3.111 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886413 460589475 /nfs/dbraw/zinc/58/94/75/460589475.db2.gz JRCRXQUAISHNFU-IUODEOHRSA-N 2 2 339.277 3.032 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886413 460589479 /nfs/dbraw/zinc/58/94/79/460589479.db2.gz JRCRXQUAISHNFU-IUODEOHRSA-N 2 2 339.277 3.032 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)o1 ZINC000026309156 453796354 /nfs/dbraw/zinc/79/63/54/453796354.db2.gz GETZOCSULRIKJW-UHFFFAOYSA-N 2 2 347.422 3.427 10 0 EGAELP CCOc1cc2c(c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)c1)O[C@H](C)C2 ZINC000084805167 454011306 /nfs/dbraw/zinc/01/13/06/454011306.db2.gz NZFLLFZBBVHSMK-HUUCEWRRSA-N 2 2 341.455 3.272 10 0 EGAELP COCc1nc(C[NH2+]C[C@@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cs1 ZINC000089725170 454184042 /nfs/dbraw/zinc/18/40/42/454184042.db2.gz OUWYBDRUTBEZGL-ZDUSSCGKSA-N 2 2 348.516 3.451 10 0 EGAELP Brc1csc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000089884725 454226009 /nfs/dbraw/zinc/22/60/09/454226009.db2.gz GYIHDNZMZNHGAW-SNVBAGLBSA-N 2 2 326.263 3.374 10 0 EGAELP Fc1cccc(C[NH+]2CCC([NH2+]Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000097105293 454408598 /nfs/dbraw/zinc/40/85/98/454408598.db2.gz GSBHZOZXIAUWRI-UHFFFAOYSA-N 2 2 338.430 3.456 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c(C)nc2s1 ZINC000097139253 454414081 /nfs/dbraw/zinc/41/40/81/454414081.db2.gz GBPFHUUEKBNPEM-OAHLLOKOSA-N 2 2 343.500 3.201 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c(C)nc2s1 ZINC000097139253 454414085 /nfs/dbraw/zinc/41/40/85/454414085.db2.gz GBPFHUUEKBNPEM-OAHLLOKOSA-N 2 2 343.500 3.201 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1nc3cc(Cl)ccc3n1C)C2 ZINC000091315034 454426522 /nfs/dbraw/zinc/42/65/22/454426522.db2.gz PXSPASCOFRLKJU-GXTWGEPZSA-N 2 2 343.862 3.397 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623614416 460640832 /nfs/dbraw/zinc/64/08/32/460640832.db2.gz DXOCQWNNHWKCIR-APWZRJJASA-N 2 2 329.488 3.400 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623614416 460640834 /nfs/dbraw/zinc/64/08/34/460640834.db2.gz DXOCQWNNHWKCIR-APWZRJJASA-N 2 2 329.488 3.400 10 0 EGAELP Cc1cccc2c1C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000623607769 460638785 /nfs/dbraw/zinc/63/87/85/460638785.db2.gz OACACGFYXHGEDB-CQSZACIVSA-N 2 2 325.437 3.336 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CCO1 ZINC000092079250 454518789 /nfs/dbraw/zinc/51/87/89/454518789.db2.gz FQEBRZCRARIBJF-INIZCTEOSA-N 2 2 344.499 3.085 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CCO1 ZINC000092079250 454518790 /nfs/dbraw/zinc/51/87/90/454518790.db2.gz FQEBRZCRARIBJF-INIZCTEOSA-N 2 2 344.499 3.085 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cc(C)on2)CC1 ZINC000092254323 454542631 /nfs/dbraw/zinc/54/26/31/454542631.db2.gz BCXHOPAIULHOBM-UHFFFAOYSA-N 2 2 342.487 3.147 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cc(C)on2)CC1 ZINC000092254323 454542637 /nfs/dbraw/zinc/54/26/37/454542637.db2.gz BCXHOPAIULHOBM-UHFFFAOYSA-N 2 2 342.487 3.147 10 0 EGAELP CCC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000122954420 454585976 /nfs/dbraw/zinc/58/59/76/454585976.db2.gz YYPAUEDQZIVDIW-GOSISDBHSA-N 2 2 337.552 3.125 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000153274823 454777569 /nfs/dbraw/zinc/77/75/69/454777569.db2.gz HWEQWFGPVXWTRT-GOEBONIOSA-N 2 2 342.430 3.297 10 0 EGAELP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177082158 454820488 /nfs/dbraw/zinc/82/04/88/454820488.db2.gz RRPOPTFSZJVQJC-IBGZPJMESA-N 2 2 348.450 3.483 10 0 EGAELP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177082158 454820492 /nfs/dbraw/zinc/82/04/92/454820492.db2.gz RRPOPTFSZJVQJC-IBGZPJMESA-N 2 2 348.450 3.483 10 0 EGAELP Cc1csc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177088692 454821486 /nfs/dbraw/zinc/82/14/86/454821486.db2.gz OCCKWQXSQGEMDZ-INIZCTEOSA-N 2 2 339.468 3.412 10 0 EGAELP Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177088692 454821492 /nfs/dbraw/zinc/82/14/92/454821492.db2.gz OCCKWQXSQGEMDZ-INIZCTEOSA-N 2 2 339.468 3.412 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000163311530 454838560 /nfs/dbraw/zinc/83/85/60/454838560.db2.gz MDKPVDVTODARPE-LSDHHAIUSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000163311530 454838561 /nfs/dbraw/zinc/83/85/61/454838561.db2.gz MDKPVDVTODARPE-LSDHHAIUSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000163334786 454840130 /nfs/dbraw/zinc/84/01/30/454840130.db2.gz HJZJCYANPWKRBF-DZGCQCFKSA-N 2 2 326.481 3.309 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000163334786 454840132 /nfs/dbraw/zinc/84/01/32/454840132.db2.gz HJZJCYANPWKRBF-DZGCQCFKSA-N 2 2 326.481 3.309 10 0 EGAELP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151316614 454968335 /nfs/dbraw/zinc/96/83/35/454968335.db2.gz YBVFSEDYAWBAHC-UKRRQHHQSA-N 2 2 339.549 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000151343270 454972567 /nfs/dbraw/zinc/97/25/67/454972567.db2.gz CYALQWZEDSLJHA-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000179555802 455058104 /nfs/dbraw/zinc/05/81/04/455058104.db2.gz FEOFCAQKKRGULZ-UHFFFAOYSA-N 2 2 340.467 3.497 10 0 EGAELP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000179555802 455058107 /nfs/dbraw/zinc/05/81/07/455058107.db2.gz FEOFCAQKKRGULZ-UHFFFAOYSA-N 2 2 340.467 3.497 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156456446 455120026 /nfs/dbraw/zinc/12/00/26/455120026.db2.gz NADODJUPQAULKX-KBXCAEBGSA-N 2 2 341.434 3.475 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156456446 455120027 /nfs/dbraw/zinc/12/00/27/455120027.db2.gz NADODJUPQAULKX-KBXCAEBGSA-N 2 2 341.434 3.475 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129760047 455124382 /nfs/dbraw/zinc/12/43/82/455124382.db2.gz PGIBWJBHCBCLTK-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129760047 455124384 /nfs/dbraw/zinc/12/43/84/455124384.db2.gz PGIBWJBHCBCLTK-BEFAXECRSA-N 2 2 339.418 3.291 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c(Cl)nc2ccccn21 ZINC000180121639 455135050 /nfs/dbraw/zinc/13/50/50/455135050.db2.gz DGAAPAKREOEFLE-AWEZNQCLSA-N 2 2 329.835 3.157 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(Cl)nc2ccccn21 ZINC000180121639 455135051 /nfs/dbraw/zinc/13/50/51/455135051.db2.gz DGAAPAKREOEFLE-AWEZNQCLSA-N 2 2 329.835 3.157 10 0 EGAELP Cc1scc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000180279450 455154578 /nfs/dbraw/zinc/15/45/78/455154578.db2.gz WGUBEKKNBBCYJZ-UHFFFAOYSA-N 2 2 349.544 3.045 10 0 EGAELP CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264850761 455292167 /nfs/dbraw/zinc/29/21/67/455292167.db2.gz ZTZSWBZTEPINSX-OAHLLOKOSA-N 2 2 327.428 3.334 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000183676299 455319237 /nfs/dbraw/zinc/31/92/37/455319237.db2.gz LQRHMRDWIRWJDI-AWEZNQCLSA-N 2 2 338.459 3.283 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724888 455365176 /nfs/dbraw/zinc/36/51/76/455365176.db2.gz IPQPVPSHWTXGEQ-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724888 455365181 /nfs/dbraw/zinc/36/51/81/455365181.db2.gz IPQPVPSHWTXGEQ-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724888 455365186 /nfs/dbraw/zinc/36/51/86/455365186.db2.gz IPQPVPSHWTXGEQ-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@@H](C)C1 ZINC000245724888 455365190 /nfs/dbraw/zinc/36/51/90/455365190.db2.gz IPQPVPSHWTXGEQ-BBRMVZONSA-N 2 2 342.430 3.459 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000246325300 455471134 /nfs/dbraw/zinc/47/11/34/455471134.db2.gz FRZFTCVTGIEWGW-NDXORKPFSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000246325300 455471137 /nfs/dbraw/zinc/47/11/37/455471137.db2.gz FRZFTCVTGIEWGW-NDXORKPFSA-N 2 2 347.466 3.363 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507100 455503714 /nfs/dbraw/zinc/50/37/14/455503714.db2.gz BFGFWSCEYMAPSH-LSDHHAIUSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507100 455503716 /nfs/dbraw/zinc/50/37/16/455503716.db2.gz BFGFWSCEYMAPSH-LSDHHAIUSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507100 455503721 /nfs/dbraw/zinc/50/37/21/455503721.db2.gz BFGFWSCEYMAPSH-LSDHHAIUSA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246507100 455503724 /nfs/dbraw/zinc/50/37/24/455503724.db2.gz BFGFWSCEYMAPSH-LSDHHAIUSA-N 2 2 337.895 3.310 10 0 EGAELP COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000182444564 455515595 /nfs/dbraw/zinc/51/55/95/455515595.db2.gz DDZZFQDZHGPUSJ-CHWSQXEVSA-N 2 2 341.415 3.122 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248131123 455685217 /nfs/dbraw/zinc/68/52/17/455685217.db2.gz OLVJYYYCXYEEIK-JSGCOSHPSA-N 2 2 335.477 3.053 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248131123 455685222 /nfs/dbraw/zinc/68/52/22/455685222.db2.gz OLVJYYYCXYEEIK-JSGCOSHPSA-N 2 2 335.477 3.053 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162147 455690940 /nfs/dbraw/zinc/69/09/40/455690940.db2.gz SIRHQDLMMATLOB-RHSMWYFYSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162147 455690947 /nfs/dbraw/zinc/69/09/47/455690947.db2.gz SIRHQDLMMATLOB-RHSMWYFYSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162147 455690952 /nfs/dbraw/zinc/69/09/52/455690952.db2.gz SIRHQDLMMATLOB-RHSMWYFYSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@H]21 ZINC000248162147 455690957 /nfs/dbraw/zinc/69/09/57/455690957.db2.gz SIRHQDLMMATLOB-RHSMWYFYSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+](Cc1cc(Cl)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385888 455835045 /nfs/dbraw/zinc/83/50/45/455835045.db2.gz IQPHSHMBZYGVOK-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP C[N@@H+](Cc1cc(Cl)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385888 455835048 /nfs/dbraw/zinc/83/50/48/455835048.db2.gz IQPHSHMBZYGVOK-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc4ccccc4n3)CC2)CC1 ZINC000269357650 455841767 /nfs/dbraw/zinc/84/17/67/455841767.db2.gz UQYCBMLRVLCRIU-UHFFFAOYSA-N 2 2 338.499 3.230 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000253554716 455853587 /nfs/dbraw/zinc/85/35/87/455853587.db2.gz CECSIGJLDCHXMA-UKRRQHHQSA-N 2 2 337.427 3.066 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000253554716 455853591 /nfs/dbraw/zinc/85/35/91/455853591.db2.gz CECSIGJLDCHXMA-UKRRQHHQSA-N 2 2 337.427 3.066 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000280094814 455889768 /nfs/dbraw/zinc/88/97/68/455889768.db2.gz AYQYNQNXDVBKEP-XLIONFOSSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000280094814 455889770 /nfs/dbraw/zinc/88/97/70/455889770.db2.gz AYQYNQNXDVBKEP-XLIONFOSSA-N 2 2 335.455 3.460 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000270291155 455922242 /nfs/dbraw/zinc/92/22/42/455922242.db2.gz OXMNCICEFBLCIF-SFTDATJTSA-N 2 2 332.451 3.407 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000296636688 455996587 /nfs/dbraw/zinc/99/65/87/455996587.db2.gz XUCWYQJLOWEERC-BCDXTJNWSA-N 2 2 339.487 3.213 10 0 EGAELP CC(C)c1nnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000296636688 455996591 /nfs/dbraw/zinc/99/65/91/455996591.db2.gz XUCWYQJLOWEERC-BCDXTJNWSA-N 2 2 339.487 3.213 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC3CC(OC(C)(C)C)C3)[nH+]c2)CC1 ZINC000272573643 455999564 /nfs/dbraw/zinc/99/95/64/455999564.db2.gz FYSCIMHISSWYLV-UHFFFAOYSA-N 2 2 346.519 3.370 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1n1cc[nH+]c1 ZINC000271244757 456190119 /nfs/dbraw/zinc/19/01/19/456190119.db2.gz GTCMUBGVXKOSFN-BMFZPTHFSA-N 2 2 332.473 3.274 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1n1cc[nH+]c1 ZINC000271244757 456190125 /nfs/dbraw/zinc/19/01/25/456190125.db2.gz GTCMUBGVXKOSFN-BMFZPTHFSA-N 2 2 332.473 3.274 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)ccc2[nH+]1 ZINC000263912088 456262241 /nfs/dbraw/zinc/26/22/41/456262241.db2.gz LTBQBERUVQSYLN-OAHLLOKOSA-N 2 2 343.456 3.129 10 0 EGAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccccn1)CC2 ZINC000275599658 456277484 /nfs/dbraw/zinc/27/74/84/456277484.db2.gz IDAWSZYFDYAHBI-MRXNPFEDSA-N 2 2 328.485 3.025 10 0 EGAELP CCOc1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)nn1CC(C)C ZINC000352855063 456366758 /nfs/dbraw/zinc/36/67/58/456366758.db2.gz WFJWGTRGFHSEBF-UHFFFAOYSA-N 2 2 345.491 3.349 10 0 EGAELP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000340290193 456366778 /nfs/dbraw/zinc/36/67/78/456366778.db2.gz XDBLYSXMDZHDRH-QZTJIDSGSA-N 2 2 325.447 3.032 10 0 EGAELP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000340290193 456366787 /nfs/dbraw/zinc/36/67/87/456366787.db2.gz XDBLYSXMDZHDRH-QZTJIDSGSA-N 2 2 325.447 3.032 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337567652 456385430 /nfs/dbraw/zinc/38/54/30/456385430.db2.gz RFJCFELXDKJYBE-HZPDHXFCSA-N 2 2 346.519 3.092 10 0 EGAELP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000348101048 456479603 /nfs/dbraw/zinc/47/96/03/456479603.db2.gz HLVOROXUFPPSNQ-YLJYHZDGSA-N 2 2 349.482 3.091 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000340515282 456503992 /nfs/dbraw/zinc/50/39/92/456503992.db2.gz OMUGARANUGCTFH-UHFFFAOYSA-N 2 2 329.419 3.120 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000340594717 456555456 /nfs/dbraw/zinc/55/54/56/456555456.db2.gz BJYDLDHRKHWRNA-UHFFFAOYSA-N 2 2 333.382 3.314 10 0 EGAELP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000658224218 462433811 /nfs/dbraw/zinc/43/38/11/462433811.db2.gz OJFIIXHBFGXEJI-NVXWUHKLSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000658224218 462433818 /nfs/dbraw/zinc/43/38/18/462433818.db2.gz OJFIIXHBFGXEJI-NVXWUHKLSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310004934 456578247 /nfs/dbraw/zinc/57/82/47/456578247.db2.gz HEDOBXHBCYZUOV-MRXNPFEDSA-N 2 2 331.485 3.154 10 0 EGAELP COc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000310004934 456578255 /nfs/dbraw/zinc/57/82/55/456578255.db2.gz HEDOBXHBCYZUOV-MRXNPFEDSA-N 2 2 331.485 3.154 10 0 EGAELP COc1cc2c(c(C[NH2+]C3CC[NH+](C4CCC4)CC3)c1)O[C@H](C)C2 ZINC000340690423 456627185 /nfs/dbraw/zinc/62/71/85/456627185.db2.gz DMSSBXKRVPRQSD-CQSZACIVSA-N 2 2 330.472 3.125 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321004171 456634572 /nfs/dbraw/zinc/63/45/72/456634572.db2.gz OFWNYEVRJXVORS-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321004171 456634577 /nfs/dbraw/zinc/63/45/77/456634577.db2.gz OFWNYEVRJXVORS-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282886871 456655453 /nfs/dbraw/zinc/65/54/53/456655453.db2.gz YXVOGBCKWSZRFO-MRXNPFEDSA-N 2 2 328.435 3.442 10 0 EGAELP Cc1nc(F)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282886871 456655458 /nfs/dbraw/zinc/65/54/58/456655458.db2.gz YXVOGBCKWSZRFO-MRXNPFEDSA-N 2 2 328.435 3.442 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734046 /nfs/dbraw/zinc/73/40/46/456734046.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 3 2 342.462 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734053 /nfs/dbraw/zinc/73/40/53/456734053.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 3 2 342.462 3.282 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3c[nH+]ccc3C)CC2)o1 ZINC000343633670 456759574 /nfs/dbraw/zinc/75/95/74/456759574.db2.gz CVYVWPHTVUXQOD-UHFFFAOYSA-N 2 2 337.427 3.004 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353630788 456816265 /nfs/dbraw/zinc/81/62/65/456816265.db2.gz NUNPEVNTAUVDEY-GXTWGEPZSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353630788 456816271 /nfs/dbraw/zinc/81/62/71/456816271.db2.gz NUNPEVNTAUVDEY-GXTWGEPZSA-N 2 2 332.245 3.307 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844758 456933109 /nfs/dbraw/zinc/93/31/09/456933109.db2.gz VSVWYBSRDLVHRV-PMACEKPBSA-N 2 2 332.463 3.462 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844758 456933111 /nfs/dbraw/zinc/93/31/11/456933111.db2.gz VSVWYBSRDLVHRV-PMACEKPBSA-N 2 2 332.463 3.462 10 0 EGAELP COc1ccc(F)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000339206140 456992167 /nfs/dbraw/zinc/99/21/67/456992167.db2.gz WQMZNUYRGKBCTC-UHFFFAOYSA-N 2 2 329.350 3.449 10 0 EGAELP CCc1nnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000354171044 457107215 /nfs/dbraw/zinc/10/72/15/457107215.db2.gz DWPNHCQZSSINEP-MIGBEJBISA-N 2 2 339.487 3.213 10 0 EGAELP CCc1nnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000354171044 457107222 /nfs/dbraw/zinc/10/72/22/457107222.db2.gz DWPNHCQZSSINEP-MIGBEJBISA-N 2 2 339.487 3.213 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179087 457113678 /nfs/dbraw/zinc/11/36/78/457113678.db2.gz ZORGVXSAKUOMEV-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179087 457113682 /nfs/dbraw/zinc/11/36/82/457113682.db2.gz ZORGVXSAKUOMEV-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179087 457113687 /nfs/dbraw/zinc/11/36/87/457113687.db2.gz ZORGVXSAKUOMEV-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179087 457113692 /nfs/dbraw/zinc/11/36/92/457113692.db2.gz ZORGVXSAKUOMEV-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000359711493 457123632 /nfs/dbraw/zinc/12/36/32/457123632.db2.gz JHYFBKDKFLBULZ-HNNXBMFYSA-N 2 2 345.874 3.418 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226872 457143119 /nfs/dbraw/zinc/14/31/19/457143119.db2.gz XSHMQISLDMNCNQ-HOCLYGCPSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226872 457143124 /nfs/dbraw/zinc/14/31/24/457143124.db2.gz XSHMQISLDMNCNQ-HOCLYGCPSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354226872 457143128 /nfs/dbraw/zinc/14/31/28/457143128.db2.gz XSHMQISLDMNCNQ-HOCLYGCPSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354226872 457143137 /nfs/dbraw/zinc/14/31/37/457143137.db2.gz XSHMQISLDMNCNQ-HOCLYGCPSA-N 2 2 332.467 3.500 10 0 EGAELP CC[N@H+](CCO)CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000342181340 457153564 /nfs/dbraw/zinc/15/35/64/457153564.db2.gz GYONFUGVSFURJI-SDNWHVSQSA-N 2 2 330.394 3.013 10 0 EGAELP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000342181340 457153570 /nfs/dbraw/zinc/15/35/70/457153570.db2.gz GYONFUGVSFURJI-SDNWHVSQSA-N 2 2 330.394 3.013 10 0 EGAELP O=[S@](CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798253 457419411 /nfs/dbraw/zinc/41/94/11/457419411.db2.gz OWFFDYAQQCFPDH-NTKDMRAZSA-N 2 2 348.556 3.382 10 0 EGAELP O=[S@](CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798253 457419416 /nfs/dbraw/zinc/41/94/16/457419416.db2.gz OWFFDYAQQCFPDH-NTKDMRAZSA-N 2 2 348.556 3.382 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700592 457440653 /nfs/dbraw/zinc/44/06/53/457440653.db2.gz SZBINCTUYIEEFZ-FWZVCBSNSA-N 3 2 327.516 3.302 10 0 EGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700592 457440660 /nfs/dbraw/zinc/44/06/60/457440660.db2.gz SZBINCTUYIEEFZ-FWZVCBSNSA-N 3 2 327.516 3.302 10 0 EGAELP CCn1c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nc2cc(F)ccc21 ZINC000374200389 457518814 /nfs/dbraw/zinc/51/88/14/457518814.db2.gz PDOXLPGBVBXJGQ-UHFFFAOYSA-N 2 2 327.407 3.298 10 0 EGAELP CC1CCC(N(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)CC1 ZINC000374212279 457525305 /nfs/dbraw/zinc/52/53/05/457525305.db2.gz PSEHZSYJPBEJGP-UHFFFAOYSA-N 2 2 344.503 3.159 10 0 EGAELP CC1CCC(N(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)C2CC2)CC1 ZINC000374212279 457525313 /nfs/dbraw/zinc/52/53/13/457525313.db2.gz PSEHZSYJPBEJGP-UHFFFAOYSA-N 2 2 344.503 3.159 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000425465395 457564921 /nfs/dbraw/zinc/56/49/21/457564921.db2.gz ZLANZBIFMBILQQ-SNVBAGLBSA-N 2 2 333.342 3.352 10 0 EGAELP COC(=O)C1CC[NH+](CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000361286781 457679775 /nfs/dbraw/zinc/67/97/75/457679775.db2.gz HCCQQRQFHUGRST-UHFFFAOYSA-N 2 2 343.471 3.400 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)cn2)c[nH+]1 ZINC000364720726 457680584 /nfs/dbraw/zinc/68/05/84/457680584.db2.gz IALBSBDMCSRGGW-SFHVURJKSA-N 2 2 326.444 3.048 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)cn2)c[nH+]1 ZINC000364720726 457680585 /nfs/dbraw/zinc/68/05/85/457680585.db2.gz IALBSBDMCSRGGW-SFHVURJKSA-N 2 2 326.444 3.048 10 0 EGAELP CC(=O)N1CCC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000361301186 457684241 /nfs/dbraw/zinc/68/42/41/457684241.db2.gz VFOYVLVAVZURHG-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP CC(=O)N1CCC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000361301186 457684242 /nfs/dbraw/zinc/68/42/42/457684242.db2.gz VFOYVLVAVZURHG-UHFFFAOYSA-N 2 2 342.487 3.069 10 0 EGAELP CC(C)c1noc(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000361323080 457692875 /nfs/dbraw/zinc/69/28/75/457692875.db2.gz DABGHLJVWGAKRV-UHFFFAOYSA-N 2 2 348.413 3.132 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000361397941 457718087 /nfs/dbraw/zinc/71/80/87/457718087.db2.gz ZMQQANZREOEFIT-FYSMJZIKSA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000361397941 457718088 /nfs/dbraw/zinc/71/80/88/457718088.db2.gz ZMQQANZREOEFIT-FYSMJZIKSA-N 2 2 347.528 3.358 10 0 EGAELP COc1c(C)c[nH+]c(CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)c1C ZINC000426084635 457770640 /nfs/dbraw/zinc/77/06/40/457770640.db2.gz MALMUZNNRVBGQH-UHFFFAOYSA-N 2 2 347.503 3.178 10 0 EGAELP c1cc(-c2ccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)o2)n[nH]1 ZINC000433314384 457806899 /nfs/dbraw/zinc/80/68/99/457806899.db2.gz AIDQNWVIBHICGM-UHFFFAOYSA-N 2 2 336.439 3.208 10 0 EGAELP c1cc(-c2ccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)o2)n[nH]1 ZINC000433314384 457806907 /nfs/dbraw/zinc/80/69/07/457806907.db2.gz AIDQNWVIBHICGM-UHFFFAOYSA-N 2 2 336.439 3.208 10 0 EGAELP CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375263706 457854604 /nfs/dbraw/zinc/85/46/04/457854604.db2.gz PRJVJXVTBZXGPE-MRXNPFEDSA-N 2 2 348.535 3.218 10 0 EGAELP CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375263706 457854607 /nfs/dbraw/zinc/85/46/07/457854607.db2.gz PRJVJXVTBZXGPE-MRXNPFEDSA-N 2 2 348.535 3.218 10 0 EGAELP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358222953 457869817 /nfs/dbraw/zinc/86/98/17/457869817.db2.gz IRSJGHBHAWJMAK-HNNXBMFYSA-N 2 2 333.439 3.433 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@@H](C)C1 ZINC000361805569 457872846 /nfs/dbraw/zinc/87/28/46/457872846.db2.gz VSYWVZYVVGNZLB-DLBZAZTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)[C@@H](C)C1 ZINC000361805569 457872849 /nfs/dbraw/zinc/87/28/49/457872849.db2.gz VSYWVZYVVGNZLB-DLBZAZTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000361805569 457872851 /nfs/dbraw/zinc/87/28/51/457872851.db2.gz VSYWVZYVVGNZLB-DLBZAZTESA-N 2 2 344.503 3.098 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000361805569 457872852 /nfs/dbraw/zinc/87/28/52/457872852.db2.gz VSYWVZYVVGNZLB-DLBZAZTESA-N 2 2 344.503 3.098 10 0 EGAELP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411872464 457997816 /nfs/dbraw/zinc/99/78/16/457997816.db2.gz LXNMCCPHKNOAJH-UHFFFAOYSA-N 2 2 348.878 3.397 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103469 458009487 /nfs/dbraw/zinc/00/94/87/458009487.db2.gz VXTZWWUMKQIMDS-LSDHHAIUSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103469 458009490 /nfs/dbraw/zinc/00/94/90/458009490.db2.gz VXTZWWUMKQIMDS-LSDHHAIUSA-N 2 2 340.471 3.397 10 0 EGAELP Cn1cc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)C)cn1 ZINC000358782778 458214407 /nfs/dbraw/zinc/21/44/07/458214407.db2.gz GTNGBVGYWARPKG-GOSISDBHSA-N 2 2 327.476 3.161 10 0 EGAELP O=c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)[nH]1 ZINC000459335227 458333340 /nfs/dbraw/zinc/33/33/40/458333340.db2.gz HRTVXOMZTGUHRS-MRXNPFEDSA-N 2 2 344.503 3.148 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531297 458340678 /nfs/dbraw/zinc/34/06/78/458340678.db2.gz VFYQSJAWYCNXMC-AZUAARDMSA-N 2 2 345.531 3.228 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531297 458340683 /nfs/dbraw/zinc/34/06/83/458340683.db2.gz VFYQSJAWYCNXMC-AZUAARDMSA-N 2 2 345.531 3.228 10 0 EGAELP c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(-c2ccccc2)n1 ZINC000372960180 458359305 /nfs/dbraw/zinc/35/93/05/458359305.db2.gz YIFFZRMXBSJEGP-UHFFFAOYSA-N 2 2 329.407 3.348 10 0 EGAELP OC1CCC2(CC1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459490543 458389995 /nfs/dbraw/zinc/38/99/95/458389995.db2.gz SJZNAHAGPYLYES-LJQANCHMSA-N 2 2 328.500 3.278 10 0 EGAELP OC1CCC2(CC1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000459490543 458389998 /nfs/dbraw/zinc/38/99/98/458389998.db2.gz SJZNAHAGPYLYES-LJQANCHMSA-N 2 2 328.500 3.278 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000430126050 458405487 /nfs/dbraw/zinc/40/54/87/458405487.db2.gz POUYHHXBUUAAFZ-HNNXBMFYSA-N 2 2 334.423 3.359 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000430126050 458405490 /nfs/dbraw/zinc/40/54/90/458405490.db2.gz POUYHHXBUUAAFZ-HNNXBMFYSA-N 2 2 334.423 3.359 10 0 EGAELP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663283 458440067 /nfs/dbraw/zinc/44/00/67/458440067.db2.gz WTVWMGNUIKHCSQ-APWZRJJASA-N 3 2 326.488 3.467 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423561103 458457467 /nfs/dbraw/zinc/45/74/67/458457467.db2.gz PSZBEHLTNXYQDK-CRAIPNDOSA-N 2 2 332.492 3.353 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000468546242 458525533 /nfs/dbraw/zinc/52/55/33/458525533.db2.gz BMFLIKUJNRBYDJ-NZSAHSFTSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000468546242 458525539 /nfs/dbraw/zinc/52/55/39/458525539.db2.gz BMFLIKUJNRBYDJ-NZSAHSFTSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000468546242 458525543 /nfs/dbraw/zinc/52/55/43/458525543.db2.gz BMFLIKUJNRBYDJ-NZSAHSFTSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000468546242 458525546 /nfs/dbraw/zinc/52/55/46/458525546.db2.gz BMFLIKUJNRBYDJ-NZSAHSFTSA-N 2 2 330.472 3.067 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761461 458559163 /nfs/dbraw/zinc/55/91/63/458559163.db2.gz FNCYJGUBMFPUAY-KDOFPFPSSA-N 2 2 330.472 3.214 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000493761461 458559167 /nfs/dbraw/zinc/55/91/67/458559167.db2.gz FNCYJGUBMFPUAY-KDOFPFPSSA-N 2 2 330.472 3.214 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493968375 458607767 /nfs/dbraw/zinc/60/77/67/458607767.db2.gz KDCOSBIHSFQNRW-UHFFFAOYSA-N 2 2 346.515 3.213 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311198 458611371 /nfs/dbraw/zinc/61/13/71/458611371.db2.gz KSAAWIYYRADXQB-IFLJBQAJSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311198 458611379 /nfs/dbraw/zinc/61/13/79/458611379.db2.gz KSAAWIYYRADXQB-IFLJBQAJSA-N 2 2 328.500 3.444 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000547280546 458713116 /nfs/dbraw/zinc/71/31/16/458713116.db2.gz AVZZPLJVUQQMFL-KRWDZBQOSA-N 2 2 329.488 3.208 10 0 EGAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000547280546 458713120 /nfs/dbraw/zinc/71/31/20/458713120.db2.gz AVZZPLJVUQQMFL-KRWDZBQOSA-N 2 2 329.488 3.208 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000547280547 458714438 /nfs/dbraw/zinc/71/44/38/458714438.db2.gz AVZZPLJVUQQMFL-QGZVFWFLSA-N 2 2 329.488 3.208 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000547280547 458714444 /nfs/dbraw/zinc/71/44/44/458714444.db2.gz AVZZPLJVUQQMFL-QGZVFWFLSA-N 2 2 329.488 3.208 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000474201782 458868689 /nfs/dbraw/zinc/86/86/89/458868689.db2.gz PRWDXMLENWETEI-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)CC2 ZINC000474201782 458868697 /nfs/dbraw/zinc/86/86/97/458868697.db2.gz PRWDXMLENWETEI-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000474938856 458908935 /nfs/dbraw/zinc/90/89/35/458908935.db2.gz AEOJPFJTPUUOTP-SJORKVTESA-N 2 2 332.488 3.437 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000474938856 458908937 /nfs/dbraw/zinc/90/89/37/458908937.db2.gz AEOJPFJTPUUOTP-SJORKVTESA-N 2 2 332.488 3.437 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823211 459005762 /nfs/dbraw/zinc/00/57/62/459005762.db2.gz FRYRDMULXDWCGH-GJZGRUSLSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823211 459005764 /nfs/dbraw/zinc/00/57/64/459005764.db2.gz FRYRDMULXDWCGH-GJZGRUSLSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823211 459005768 /nfs/dbraw/zinc/00/57/68/459005768.db2.gz FRYRDMULXDWCGH-GJZGRUSLSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823211 459005772 /nfs/dbraw/zinc/00/57/72/459005772.db2.gz FRYRDMULXDWCGH-GJZGRUSLSA-N 2 2 347.532 3.139 10 0 EGAELP COC(=O)CC1([NH2+]CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000520413501 459057481 /nfs/dbraw/zinc/05/74/81/459057481.db2.gz ZDAWYSVDNPJSHD-UHFFFAOYSA-N 2 2 329.444 3.200 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205675 459080532 /nfs/dbraw/zinc/08/05/32/459080532.db2.gz LELXVUHRQVBRQE-WQGACYEGSA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205675 459080538 /nfs/dbraw/zinc/08/05/38/459080538.db2.gz LELXVUHRQVBRQE-WQGACYEGSA-N 2 2 328.287 3.112 10 0 EGAELP CCC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccsc1 ZINC000443098625 459088033 /nfs/dbraw/zinc/08/80/33/459088033.db2.gz AXXANCNKTIFJFX-CVEARBPZSA-N 2 2 346.500 3.104 10 0 EGAELP COC(=O)c1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000594607689 459109960 /nfs/dbraw/zinc/10/99/60/459109960.db2.gz DQIHYUMWYBFOSQ-HNNXBMFYSA-N 2 2 344.455 3.375 10 0 EGAELP COC(=O)c1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000594607689 459109963 /nfs/dbraw/zinc/10/99/63/459109963.db2.gz DQIHYUMWYBFOSQ-HNNXBMFYSA-N 2 2 344.455 3.375 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871495 459181850 /nfs/dbraw/zinc/18/18/50/459181850.db2.gz GPBFCVFBDGQJRB-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871495 459181853 /nfs/dbraw/zinc/18/18/53/459181853.db2.gz GPBFCVFBDGQJRB-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000595005467 459212651 /nfs/dbraw/zinc/21/26/51/459212651.db2.gz ZRINAZDXDPMHDS-CQSZACIVSA-N 2 2 331.460 3.302 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650977 459237847 /nfs/dbraw/zinc/23/78/47/459237847.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@H+]1C ZINC000578650977 459237850 /nfs/dbraw/zinc/23/78/50/459237850.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650977 459237852 /nfs/dbraw/zinc/23/78/52/459237852.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650977 459237857 /nfs/dbraw/zinc/23/78/57/459237857.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 3 2 327.516 3.256 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000560514260 459363308 /nfs/dbraw/zinc/36/33/08/459363308.db2.gz VLGDLKQTFDMQPA-BDTNDASRSA-N 3 2 341.543 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000560514260 459363310 /nfs/dbraw/zinc/36/33/10/459363310.db2.gz VLGDLKQTFDMQPA-BDTNDASRSA-N 3 2 341.543 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000560514264 459363763 /nfs/dbraw/zinc/36/37/63/459363763.db2.gz VLGDLKQTFDMQPA-BHDDXSALSA-N 3 2 341.543 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000560514264 459363767 /nfs/dbraw/zinc/36/37/67/459363767.db2.gz VLGDLKQTFDMQPA-BHDDXSALSA-N 3 2 341.543 3.422 10 0 EGAELP CC(C)(C)OC(=O)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000596063547 459506111 /nfs/dbraw/zinc/50/61/11/459506111.db2.gz NNMFNKQJCPOPPF-INIZCTEOSA-N 2 2 329.444 3.182 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527626186 459676800 /nfs/dbraw/zinc/67/68/00/459676800.db2.gz FGULIRQGCNZHJV-UHFFFAOYSA-N 2 2 338.224 3.151 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527626186 459676804 /nfs/dbraw/zinc/67/68/04/459676804.db2.gz FGULIRQGCNZHJV-UHFFFAOYSA-N 2 2 338.224 3.151 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-c2cccs2)n1 ZINC000527806327 459743930 /nfs/dbraw/zinc/74/39/30/459743930.db2.gz JBEFHCACOXAOAL-MRXNPFEDSA-N 2 2 330.501 3.255 10 0 EGAELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-c2cccs2)n1 ZINC000527806327 459743935 /nfs/dbraw/zinc/74/39/35/459743935.db2.gz JBEFHCACOXAOAL-MRXNPFEDSA-N 2 2 330.501 3.255 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527947000 459780037 /nfs/dbraw/zinc/78/00/37/459780037.db2.gz JJDOFZBSFOBHFB-WMZOPIPTSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000527947000 459780041 /nfs/dbraw/zinc/78/00/41/459780041.db2.gz JJDOFZBSFOBHFB-WMZOPIPTSA-N 2 2 339.487 3.325 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008523 459794856 /nfs/dbraw/zinc/79/48/56/459794856.db2.gz FKBSMTPVYJYVDG-FXAWDEMLSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008523 459794861 /nfs/dbraw/zinc/79/48/61/459794861.db2.gz FKBSMTPVYJYVDG-FXAWDEMLSA-N 3 2 345.531 3.295 10 0 EGAELP CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)CC3C[NH+](C)C3)o2)cc1 ZINC000597204447 459876481 /nfs/dbraw/zinc/87/64/81/459876481.db2.gz CBCDUPUPZJRWLV-UHFFFAOYSA-N 2 2 342.439 3.117 10 0 EGAELP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)CC3C[NH+](C)C3)o2)cc1 ZINC000597204447 459876486 /nfs/dbraw/zinc/87/64/86/459876486.db2.gz CBCDUPUPZJRWLV-UHFFFAOYSA-N 2 2 342.439 3.117 10 0 EGAELP CC(C)CCOC1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000588686914 459968749 /nfs/dbraw/zinc/96/87/49/459968749.db2.gz IQHATTIVCKGUAC-HXUWFJFHSA-N 2 2 348.531 3.006 10 0 EGAELP CC(C)CCOC1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000588686914 459968755 /nfs/dbraw/zinc/96/87/55/459968755.db2.gz IQHATTIVCKGUAC-HXUWFJFHSA-N 2 2 348.531 3.006 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717775 460022435 /nfs/dbraw/zinc/02/24/35/460022435.db2.gz NQDOVKYVSBZNTO-QUCCMNQESA-N 2 2 340.515 3.430 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717775 460022438 /nfs/dbraw/zinc/02/24/38/460022438.db2.gz NQDOVKYVSBZNTO-QUCCMNQESA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717775 460022446 /nfs/dbraw/zinc/02/24/46/460022446.db2.gz NQDOVKYVSBZNTO-QUCCMNQESA-N 2 2 340.515 3.430 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)C[C@H]1C ZINC000621717775 460022451 /nfs/dbraw/zinc/02/24/51/460022451.db2.gz NQDOVKYVSBZNTO-QUCCMNQESA-N 2 2 340.515 3.430 10 0 EGAELP CCO[C@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000625197174 460067062 /nfs/dbraw/zinc/06/70/62/460067062.db2.gz GADJHWAYYLDAIP-LJQANCHMSA-N 2 2 331.504 3.435 10 0 EGAELP CCO[C@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000625197174 460067066 /nfs/dbraw/zinc/06/70/66/460067066.db2.gz GADJHWAYYLDAIP-LJQANCHMSA-N 2 2 331.504 3.435 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@@H]1n1cc[nH+]c1 ZINC000625260229 460093973 /nfs/dbraw/zinc/09/39/73/460093973.db2.gz BDFZSGDVEGNLMM-ACJLOTCBSA-N 2 2 340.402 3.269 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@@H]1n1cc[nH+]c1 ZINC000625260229 460093977 /nfs/dbraw/zinc/09/39/77/460093977.db2.gz BDFZSGDVEGNLMM-ACJLOTCBSA-N 2 2 340.402 3.269 10 0 EGAELP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000625680168 460235834 /nfs/dbraw/zinc/23/58/34/460235834.db2.gz ZRBXNIXZAJHUON-KDURUIRLSA-N 2 2 349.469 3.461 10 0 EGAELP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000625680168 460235839 /nfs/dbraw/zinc/23/58/39/460235839.db2.gz ZRBXNIXZAJHUON-KDURUIRLSA-N 2 2 349.469 3.461 10 0 EGAELP CC[C@@H](OCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000625960651 460316344 /nfs/dbraw/zinc/31/63/44/460316344.db2.gz VCVACZPEKSKSKR-HXUWFJFHSA-N 2 2 346.515 3.341 10 0 EGAELP Cc1[nH+]ccn1CCN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982849 460326242 /nfs/dbraw/zinc/32/62/42/460326242.db2.gz UTUHUQPVRFDSKP-INIZCTEOSA-N 2 2 341.286 3.391 10 0 EGAELP CCC1([NH+](C)C)CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000631493137 460408733 /nfs/dbraw/zinc/40/87/33/460408733.db2.gz LMYOVSPAWRETAV-UHFFFAOYSA-N 2 2 327.476 3.006 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000628476154 460430785 /nfs/dbraw/zinc/43/07/85/460430785.db2.gz IAQLOWKXHATGPX-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398322 460527454 /nfs/dbraw/zinc/52/74/54/460527454.db2.gz BWWFPHXQWALOTD-JKSUJKDBSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398322 460527461 /nfs/dbraw/zinc/52/74/61/460527461.db2.gz BWWFPHXQWALOTD-JKSUJKDBSA-N 2 2 343.475 3.291 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCCO1 ZINC000623974969 460804916 /nfs/dbraw/zinc/80/49/16/460804916.db2.gz VHVSNJQLFBGNKV-HOJRLLLISA-N 2 2 334.426 3.339 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000629595057 460820589 /nfs/dbraw/zinc/82/05/89/460820589.db2.gz MCXHPYPKKVNITI-ILWGZMRPSA-N 2 2 349.478 3.298 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000629595057 460820593 /nfs/dbraw/zinc/82/05/93/460820593.db2.gz MCXHPYPKKVNITI-ILWGZMRPSA-N 2 2 349.478 3.298 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@H]3CC=CCC3)c2cc1C ZINC000629597545 460821340 /nfs/dbraw/zinc/82/13/40/460821340.db2.gz MIJOAMGDBBRCEW-ROUUACIJSA-N 2 2 327.472 3.350 10 0 EGAELP C[NH+](C)CCN(Cc1ccco1)c1nc2ccccc2n2c[nH+]cc12 ZINC000624035182 460831791 /nfs/dbraw/zinc/83/17/91/460831791.db2.gz NXTVEVXNLUWYCI-UHFFFAOYSA-N 2 2 335.411 3.044 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[NH2+]1 ZINC000629659462 460852425 /nfs/dbraw/zinc/85/24/25/460852425.db2.gz AICLDFTYMMELEX-APWZRJJASA-N 2 2 347.466 3.164 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC3CC([NH+]4CCCCC4)C3)n1)C2 ZINC000624177723 460897132 /nfs/dbraw/zinc/89/71/32/460897132.db2.gz WIKFRZYZKFLFLW-UHFFFAOYSA-N 2 2 349.482 3.426 10 0 EGAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nc(C(=O)OC)co2)c1 ZINC000601931052 460949603 /nfs/dbraw/zinc/94/96/03/460949603.db2.gz INKCIRUUILBYEP-CQSZACIVSA-N 2 2 345.443 3.154 10 0 EGAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC2CC2)c1 ZINC000628189675 461039053 /nfs/dbraw/zinc/03/90/53/461039053.db2.gz JKZIVPUMNUZRJE-SJORKVTESA-N 2 2 330.472 3.295 10 0 EGAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC2CC2)c1 ZINC000628189675 461039056 /nfs/dbraw/zinc/03/90/56/461039056.db2.gz JKZIVPUMNUZRJE-SJORKVTESA-N 2 2 330.472 3.295 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OC2CC2)c1 ZINC000628189675 461039058 /nfs/dbraw/zinc/03/90/58/461039058.db2.gz JKZIVPUMNUZRJE-SJORKVTESA-N 2 2 330.472 3.295 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(OC2CC2)c1 ZINC000628189675 461039062 /nfs/dbraw/zinc/03/90/62/461039062.db2.gz JKZIVPUMNUZRJE-SJORKVTESA-N 2 2 330.472 3.295 10 0 EGAELP c1nc(C2CC2)oc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262702 461064950 /nfs/dbraw/zinc/06/49/50/461064950.db2.gz VYJIPPYLBURKMS-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP c1nc(C2CC2)oc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262702 461064953 /nfs/dbraw/zinc/06/49/53/461064953.db2.gz VYJIPPYLBURKMS-HNNXBMFYSA-N 2 2 326.444 3.464 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608561987 461084545 /nfs/dbraw/zinc/08/45/45/461084545.db2.gz DUFPVKXHZZSHAA-LJQANCHMSA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608561987 461084547 /nfs/dbraw/zinc/08/45/47/461084547.db2.gz DUFPVKXHZZSHAA-LJQANCHMSA-N 2 2 348.535 3.441 10 0 EGAELP Cc1ccc2cc[nH+]c(NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)c2c1 ZINC000624705516 461096619 /nfs/dbraw/zinc/09/66/19/461096619.db2.gz KHILTNYSPOALHU-IBGZPJMESA-N 2 2 348.450 3.251 10 0 EGAELP Cc1ccc2cc[nH+]c(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)c2c1 ZINC000624705516 461096621 /nfs/dbraw/zinc/09/66/21/461096621.db2.gz KHILTNYSPOALHU-IBGZPJMESA-N 2 2 348.450 3.251 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000668150894 461138417 /nfs/dbraw/zinc/13/84/17/461138417.db2.gz LFOBWRXNHAIVPF-UHFFFAOYSA-N 2 2 330.476 3.235 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000668150894 461138423 /nfs/dbraw/zinc/13/84/23/461138423.db2.gz LFOBWRXNHAIVPF-UHFFFAOYSA-N 2 2 330.476 3.235 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000668150894 461138434 /nfs/dbraw/zinc/13/84/34/461138434.db2.gz LFOBWRXNHAIVPF-UHFFFAOYSA-N 2 2 330.476 3.235 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000668150894 461138440 /nfs/dbraw/zinc/13/84/40/461138440.db2.gz LFOBWRXNHAIVPF-UHFFFAOYSA-N 2 2 330.476 3.235 10 0 EGAELP C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC000662278818 461163838 /nfs/dbraw/zinc/16/38/38/461163838.db2.gz MGXDCWYLMOFQKX-UHFFFAOYSA-N 2 2 332.451 3.354 10 0 EGAELP C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC000662278818 461163844 /nfs/dbraw/zinc/16/38/44/461163844.db2.gz MGXDCWYLMOFQKX-UHFFFAOYSA-N 2 2 332.451 3.354 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CCO1 ZINC000662321825 461193414 /nfs/dbraw/zinc/19/34/14/461193414.db2.gz JVWSGGYIWFMMOR-KRWDZBQOSA-N 2 2 347.434 3.023 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CCO1 ZINC000662321825 461193422 /nfs/dbraw/zinc/19/34/22/461193422.db2.gz JVWSGGYIWFMMOR-KRWDZBQOSA-N 2 2 347.434 3.023 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1F ZINC000649732254 461309763 /nfs/dbraw/zinc/30/97/63/461309763.db2.gz RKXYODLQTLQRGV-VQIMIIECSA-N 2 2 330.447 3.278 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000649732254 461309772 /nfs/dbraw/zinc/30/97/72/461309772.db2.gz RKXYODLQTLQRGV-VQIMIIECSA-N 2 2 330.447 3.278 10 0 EGAELP c1ccc(-n2nnc(C[NH2+]CCC[NH+]3CCCCC3)c2C2CC2)cc1 ZINC000638306549 461358457 /nfs/dbraw/zinc/35/84/57/461358457.db2.gz DRBKNTWAGXXREM-UHFFFAOYSA-N 2 2 339.487 3.110 10 0 EGAELP Cc1cc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c(O)cc1Cl ZINC000668679105 461378509 /nfs/dbraw/zinc/37/85/09/461378509.db2.gz ZOQBILGKXHZGCJ-CYBMUJFWSA-N 2 2 331.847 3.486 10 0 EGAELP Cc1cc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c(O)cc1Cl ZINC000668679105 461378514 /nfs/dbraw/zinc/37/85/14/461378514.db2.gz ZOQBILGKXHZGCJ-CYBMUJFWSA-N 2 2 331.847 3.486 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759503 461425195 /nfs/dbraw/zinc/42/51/95/461425195.db2.gz OHFRRQAIXOKUQS-NEWSRXKRSA-N 2 2 334.529 3.151 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000655759503 461425201 /nfs/dbraw/zinc/42/52/01/461425201.db2.gz OHFRRQAIXOKUQS-NEWSRXKRSA-N 2 2 334.529 3.151 10 0 EGAELP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000655806062 461466545 /nfs/dbraw/zinc/46/65/45/461466545.db2.gz OVRPYJJAINJCQX-UWUNEBHHSA-N 3 2 335.923 3.234 10 0 EGAELP COc1c(C)cccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000655809601 461466584 /nfs/dbraw/zinc/46/65/84/461466584.db2.gz BEBTVXGYUVYWSL-UHFFFAOYSA-N 2 2 325.456 3.153 10 0 EGAELP c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3CCC[NH2+]3)no1)CC2 ZINC000647146977 461524607 /nfs/dbraw/zinc/52/46/07/461524607.db2.gz GUEMJQWBCFRCHU-ZBFHGGJFSA-N 2 2 341.459 3.468 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172459 461543125 /nfs/dbraw/zinc/54/31/25/461543125.db2.gz XPGLGXMZGABJPF-ACRUOGEOSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172459 461543132 /nfs/dbraw/zinc/54/31/32/461543132.db2.gz XPGLGXMZGABJPF-ACRUOGEOSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172459 461543140 /nfs/dbraw/zinc/54/31/40/461543140.db2.gz XPGLGXMZGABJPF-ACRUOGEOSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172459 461543147 /nfs/dbraw/zinc/54/31/47/461543147.db2.gz XPGLGXMZGABJPF-ACRUOGEOSA-N 3 2 339.527 3.400 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000653179883 461543601 /nfs/dbraw/zinc/54/36/01/461543601.db2.gz WSZJSWTVGRJEBX-QGZVFWFLSA-N 2 2 330.476 3.489 10 0 EGAELP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000660094518 461579026 /nfs/dbraw/zinc/57/90/26/461579026.db2.gz JWJKFWGAFNQCRY-KRWDZBQOSA-N 2 2 342.468 3.092 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCC3(CC3)C2)([NH+]2CCCCC2)CC1 ZINC000669251920 461617145 /nfs/dbraw/zinc/61/71/45/461617145.db2.gz ITFXEDAVMRYWBS-SFHVURJKSA-N 2 2 347.547 3.023 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343526 461646725 /nfs/dbraw/zinc/64/67/25/461646725.db2.gz VGNKGXQCTSDXEF-GDAAHCPNSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343526 461646731 /nfs/dbraw/zinc/64/67/31/461646731.db2.gz VGNKGXQCTSDXEF-GDAAHCPNSA-N 2 2 331.504 3.228 10 0 EGAELP CCOc1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480385 461728101 /nfs/dbraw/zinc/72/81/01/461728101.db2.gz LHJDMVZFMDBQFF-MJGOQNOKSA-N 2 2 348.535 3.210 10 0 EGAELP CCOc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)nn1CC(C)C ZINC000647480385 461728109 /nfs/dbraw/zinc/72/81/09/461728109.db2.gz LHJDMVZFMDBQFF-MJGOQNOKSA-N 2 2 348.535 3.210 10 0 EGAELP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000643537843 461759192 /nfs/dbraw/zinc/75/91/92/461759192.db2.gz RXDBFPBVAGMJGO-KKUMJFAQSA-N 2 2 327.241 3.190 10 0 EGAELP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000647548934 461762678 /nfs/dbraw/zinc/76/26/78/461762678.db2.gz BAGLEUFMBFGYTH-QFBILLFUSA-N 2 2 347.466 3.022 10 0 EGAELP c1cc(N[C@@H]2CCC23CCC3)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000669703523 461773232 /nfs/dbraw/zinc/77/32/32/461773232.db2.gz RYKLWJXGBVGRDA-GOSISDBHSA-N 2 2 340.471 3.182 10 0 EGAELP CO[C@@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)[C@H]1CCOC1 ZINC000660451769 461787561 /nfs/dbraw/zinc/78/75/61/461787561.db2.gz GPANIOBTFFYNRF-JXFKEZNVSA-N 2 2 343.471 3.033 10 0 EGAELP c1nc([C@@H]2CCCO2)sc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788912 461899929 /nfs/dbraw/zinc/89/99/29/461899929.db2.gz IYTKZDQBYZKPQE-KURKYZTESA-N 2 2 343.496 3.230 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000660656965 461908017 /nfs/dbraw/zinc/90/80/17/461908017.db2.gz YZDOPEGDBUARSP-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000660656965 461908024 /nfs/dbraw/zinc/90/80/24/461908024.db2.gz YZDOPEGDBUARSP-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000660656965 461908030 /nfs/dbraw/zinc/90/80/30/461908030.db2.gz YZDOPEGDBUARSP-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000660656965 461908036 /nfs/dbraw/zinc/90/80/36/461908036.db2.gz YZDOPEGDBUARSP-HXUWFJFHSA-N 2 2 341.455 3.268 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957076 461908128 /nfs/dbraw/zinc/90/81/28/461908128.db2.gz LQOWFEMWECMWRJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957076 461908134 /nfs/dbraw/zinc/90/81/34/461908134.db2.gz LQOWFEMWECMWRJ-KSSFIOAISA-N 2 2 335.879 3.051 10 0 EGAELP Cc1noc(C[N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)n1 ZINC000653889097 461920757 /nfs/dbraw/zinc/92/07/57/461920757.db2.gz QXDPTTUSOZYOBD-UHFFFAOYSA-N 2 2 327.432 3.338 10 0 EGAELP Cc1noc(C[N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)n1 ZINC000653889097 461920761 /nfs/dbraw/zinc/92/07/61/461920761.db2.gz QXDPTTUSOZYOBD-UHFFFAOYSA-N 2 2 327.432 3.338 10 0 EGAELP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+]3CCCC3CC[NH2+]CC3)n2)cc1 ZINC000647990774 461926390 /nfs/dbraw/zinc/92/63/90/461926390.db2.gz GINBASJDXCUOAZ-GOSISDBHSA-N 2 2 339.487 3.388 10 0 EGAELP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+]3CCCC3CC[NH2+]CC3)n2)cc1 ZINC000647990774 461926395 /nfs/dbraw/zinc/92/63/95/461926395.db2.gz GINBASJDXCUOAZ-GOSISDBHSA-N 2 2 339.487 3.388 10 0 EGAELP Cc1ccnc(N2CC[NH+](Cc3cnn(-c4ccccc4C)c3)CC2)c1 ZINC000648002829 461931960 /nfs/dbraw/zinc/93/19/60/461931960.db2.gz SRJHUIXUQDICNK-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP Cc1cc[nH+]c(N2CC[NH+](Cc3cnn(-c4ccccc4C)c3)CC2)c1 ZINC000648002829 461931967 /nfs/dbraw/zinc/93/19/67/461931967.db2.gz SRJHUIXUQDICNK-UHFFFAOYSA-N 2 2 347.466 3.206 10 0 EGAELP O[C@H]1CC[N@H+](Cc2ccc(CNc3ccc4ccccc4[nH+]3)cc2)C1 ZINC000664239620 461993971 /nfs/dbraw/zinc/99/39/71/461993971.db2.gz QRITUGSTBVWNOV-IBGZPJMESA-N 2 2 333.435 3.414 10 0 EGAELP O[C@H]1CC[N@@H+](Cc2ccc(CNc3ccc4ccccc4[nH+]3)cc2)C1 ZINC000664239620 461993977 /nfs/dbraw/zinc/99/39/77/461993977.db2.gz QRITUGSTBVWNOV-IBGZPJMESA-N 2 2 333.435 3.414 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000657304817 462031396 /nfs/dbraw/zinc/03/13/96/462031396.db2.gz IQJMEYCTYFEPRB-UHFFFAOYSA-N 2 2 335.455 3.222 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657345168 462060634 /nfs/dbraw/zinc/06/06/34/462060634.db2.gz IPSQRVLNAZEVHF-SFHVURJKSA-N 2 2 345.512 3.319 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657345168 462060643 /nfs/dbraw/zinc/06/06/43/462060643.db2.gz IPSQRVLNAZEVHF-SFHVURJKSA-N 2 2 345.512 3.319 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000657388327 462090916 /nfs/dbraw/zinc/09/09/16/462090916.db2.gz JETRAWLFHIUJKP-AEFFLSMTSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@H+]1Cc1ccccc1 ZINC000657388327 462090924 /nfs/dbraw/zinc/09/09/24/462090924.db2.gz JETRAWLFHIUJKP-AEFFLSMTSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000657388330 462091755 /nfs/dbraw/zinc/09/17/55/462091755.db2.gz JETRAWLFHIUJKP-WMZOPIPTSA-N 2 2 339.487 3.146 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CC[N@H+]1Cc1ccccc1 ZINC000657388330 462091763 /nfs/dbraw/zinc/09/17/63/462091763.db2.gz JETRAWLFHIUJKP-WMZOPIPTSA-N 2 2 339.487 3.146 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000667549745 462138482 /nfs/dbraw/zinc/13/84/82/462138482.db2.gz VJNJFEGTUZGDCF-VQIMIIECSA-N 2 2 326.488 3.386 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000667549745 462138488 /nfs/dbraw/zinc/13/84/88/462138488.db2.gz VJNJFEGTUZGDCF-VQIMIIECSA-N 2 2 326.488 3.386 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522299 462165066 /nfs/dbraw/zinc/16/50/66/462165066.db2.gz CQFPVRPZUBVAIH-MRXNPFEDSA-N 2 2 328.460 3.048 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522299 462165070 /nfs/dbraw/zinc/16/50/70/462165070.db2.gz CQFPVRPZUBVAIH-MRXNPFEDSA-N 2 2 328.460 3.048 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534843 462171034 /nfs/dbraw/zinc/17/10/34/462171034.db2.gz UNOGBIMOPWHUEG-OXQOHEQNSA-N 2 2 335.451 3.480 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534843 462171038 /nfs/dbraw/zinc/17/10/38/462171038.db2.gz UNOGBIMOPWHUEG-OXQOHEQNSA-N 2 2 335.451 3.480 10 0 EGAELP c1ccc(O[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000657648819 462215667 /nfs/dbraw/zinc/21/56/67/462215667.db2.gz WAFHGAVXPKLYQP-XUTJKUGGSA-N 2 2 337.467 3.246 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667708809 462226199 /nfs/dbraw/zinc/22/61/99/462226199.db2.gz LKROGRPOVBEDQJ-QFBILLFUSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667708809 462226204 /nfs/dbraw/zinc/22/62/04/462226204.db2.gz LKROGRPOVBEDQJ-QFBILLFUSA-N 2 2 328.504 3.136 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667708809 462226218 /nfs/dbraw/zinc/22/62/18/462226218.db2.gz LKROGRPOVBEDQJ-QFBILLFUSA-N 2 2 328.504 3.136 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664877248 462229841 /nfs/dbraw/zinc/22/98/41/462229841.db2.gz PFPYNNZPMOPJGR-UHFFFAOYSA-N 2 2 349.482 3.499 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664877248 462229845 /nfs/dbraw/zinc/22/98/45/462229845.db2.gz PFPYNNZPMOPJGR-UHFFFAOYSA-N 2 2 349.482 3.499 10 0 EGAELP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000657706587 462238418 /nfs/dbraw/zinc/23/84/18/462238418.db2.gz DIZZGGAPPZRUOS-ZWKOTPCHSA-N 2 2 334.891 3.198 10 0 EGAELP CC1(C)C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000648736403 462253032 /nfs/dbraw/zinc/25/30/32/462253032.db2.gz KFXSZTPCIJKKPB-SFHVURJKSA-N 2 2 334.479 3.395 10 0 EGAELP CC1(C)C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000648736403 462253039 /nfs/dbraw/zinc/25/30/39/462253039.db2.gz KFXSZTPCIJKKPB-SFHVURJKSA-N 2 2 334.479 3.395 10 0 EGAELP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661517342 462288556 /nfs/dbraw/zinc/28/85/56/462288556.db2.gz LLMDCFLWYSIKRU-HTAPYJJXSA-N 2 2 336.479 3.337 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000657883394 462307088 /nfs/dbraw/zinc/30/70/88/462307088.db2.gz RQUFAJONBZPAHF-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000657883394 462307092 /nfs/dbraw/zinc/30/70/92/462307092.db2.gz RQUFAJONBZPAHF-RTWAWAEBSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000651712583 462312743 /nfs/dbraw/zinc/31/27/43/462312743.db2.gz LBILMCSYQFAZEK-NEWSRXKRSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000651712583 462312745 /nfs/dbraw/zinc/31/27/45/462312745.db2.gz LBILMCSYQFAZEK-NEWSRXKRSA-N 2 2 333.520 3.333 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058849 462361836 /nfs/dbraw/zinc/36/18/36/462361836.db2.gz VCAYGXANUGDIRW-VQIMIIECSA-N 2 2 331.504 3.047 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058849 462361841 /nfs/dbraw/zinc/36/18/41/462361841.db2.gz VCAYGXANUGDIRW-VQIMIIECSA-N 2 2 331.504 3.047 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277052 462380516 /nfs/dbraw/zinc/38/05/16/462380516.db2.gz RTDUMTRDGRLIDX-HKBOAZHASA-N 3 2 341.543 3.409 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277052 462380523 /nfs/dbraw/zinc/38/05/23/462380523.db2.gz RTDUMTRDGRLIDX-HKBOAZHASA-N 3 2 341.543 3.409 10 0 EGAELP COC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096204 462381732 /nfs/dbraw/zinc/38/17/32/462381732.db2.gz PMMQZZKDXKHVBN-VQTJNVASSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096204 462381740 /nfs/dbraw/zinc/38/17/40/462381740.db2.gz PMMQZZKDXKHVBN-VQTJNVASSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299094 462390264 /nfs/dbraw/zinc/39/02/64/462390264.db2.gz GCOIIYXJINVZCT-VDGAXYAQSA-N 2 2 346.478 3.408 10 0 EGAELP COCc1cc[nH+]c(NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000652068883 462425088 /nfs/dbraw/zinc/42/50/88/462425088.db2.gz RONMKQZFDNFRSR-UHFFFAOYSA-N 2 2 343.446 3.486 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662028693 462506342 /nfs/dbraw/zinc/50/63/42/462506342.db2.gz ANWIIQBRYRWLMC-ZWKOTPCHSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662028693 462506346 /nfs/dbraw/zinc/50/63/46/462506346.db2.gz ANWIIQBRYRWLMC-ZWKOTPCHSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCc2nccnc2C1 ZINC000662119255 462528714 /nfs/dbraw/zinc/52/87/14/462528714.db2.gz MTMUHSJLZMIGTF-UHFFFAOYSA-N 2 2 335.455 3.363 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCc2nccnc2C1 ZINC000662119255 462528715 /nfs/dbraw/zinc/52/87/15/462528715.db2.gz MTMUHSJLZMIGTF-UHFFFAOYSA-N 2 2 335.455 3.363 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774145 527831489 /nfs/dbraw/zinc/83/14/89/527831489.db2.gz MWGJELALYALEMJ-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774145 527831493 /nfs/dbraw/zinc/83/14/93/527831493.db2.gz MWGJELALYALEMJ-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774145 527831499 /nfs/dbraw/zinc/83/14/99/527831499.db2.gz MWGJELALYALEMJ-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000174774145 527831505 /nfs/dbraw/zinc/83/15/05/527831505.db2.gz MWGJELALYALEMJ-WBMJQRKESA-N 2 2 341.858 3.080 10 0 EGAELP CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000189890509 527896087 /nfs/dbraw/zinc/89/60/87/527896087.db2.gz XDWUCAPTBLMIAO-MRXNPFEDSA-N 2 2 340.471 3.170 10 0 EGAELP CC(C)N(C)c1ccc(CN(CCC[NH3+])c2ccccc2F)c[nH+]1 ZINC000361583145 535025559 /nfs/dbraw/zinc/02/55/59/535025559.db2.gz BWLUDMCZNFONHJ-UHFFFAOYSA-N 2 2 330.451 3.421 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982949 546875417 /nfs/dbraw/zinc/87/54/17/546875417.db2.gz AXIAVFOABPQOMS-NQIIRXRSSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982949 546875420 /nfs/dbraw/zinc/87/54/20/546875420.db2.gz AXIAVFOABPQOMS-NQIIRXRSSA-N 3 2 329.532 3.361 10 0 EGAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000249945438 547315536 /nfs/dbraw/zinc/31/55/36/547315536.db2.gz UJICICPBHAXJFG-UYAOXDASSA-N 2 2 341.455 3.106 10 0 EGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000249945438 547315541 /nfs/dbraw/zinc/31/55/41/547315541.db2.gz UJICICPBHAXJFG-UYAOXDASSA-N 2 2 341.455 3.106 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797617 /nfs/dbraw/zinc/79/76/17/547797617.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797619 /nfs/dbraw/zinc/79/76/19/547797619.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797621 /nfs/dbraw/zinc/79/76/21/547797621.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 2 2 326.488 3.178 10 0 EGAELP Cc1[nH+]ccn1CCCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797623 /nfs/dbraw/zinc/79/76/23/547797623.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 2 2 326.488 3.178 10 0 EGAELP c1[nH]c(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)c[nH+]1 ZINC000374207229 547804993 /nfs/dbraw/zinc/80/49/93/547804993.db2.gz IBRNFOGIRRWCNY-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414929500 547861875 /nfs/dbraw/zinc/86/18/75/547861875.db2.gz NZYSLBMIWZOJNT-IAQYHMDHSA-N 2 2 334.261 3.085 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000425465394 547885060 /nfs/dbraw/zinc/88/50/60/547885060.db2.gz ZLANZBIFMBILQQ-JTQLQIEISA-N 2 2 333.342 3.352 10 0 EGAELP C[C@@H](CC1CCOCC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917806 549004097 /nfs/dbraw/zinc/00/40/97/549004097.db2.gz FCVCQZHNFVCBLO-QFBILLFUSA-N 2 2 327.472 3.499 10 0 EGAELP CC[N@H+](Cc1cn[nH]c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678265173 549450663 /nfs/dbraw/zinc/45/06/63/549450663.db2.gz ZCUHUJZBLPKCPC-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP CC[N@@H+](Cc1cn[nH]c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678265173 549450666 /nfs/dbraw/zinc/45/06/66/549450666.db2.gz ZCUHUJZBLPKCPC-UHFFFAOYSA-N 2 2 342.491 3.122 10 0 EGAELP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCCO1 ZINC000678597264 549528352 /nfs/dbraw/zinc/52/83/52/549528352.db2.gz DTENQHYPRULIHI-LJQANCHMSA-N 2 2 331.504 3.231 10 0 EGAELP Cc1ccccc1[C@@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000743260546 576804468 /nfs/dbraw/zinc/80/44/68/576804468.db2.gz BPKHHFQVWFIIJX-NRFANRHFSA-N 2 2 338.495 3.455 10 0 EGAELP Cc1ccccc1[C@@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000743260546 576804469 /nfs/dbraw/zinc/80/44/69/576804469.db2.gz BPKHHFQVWFIIJX-NRFANRHFSA-N 2 2 338.495 3.455 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000185059782 1295238254 /nfs/dbraw/zinc/23/82/54/1295238254.db2.gz KWOVQJCKYYYFBT-WDEREUQCSA-N 2 2 345.256 3.286 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000185059782 1295238259 /nfs/dbraw/zinc/23/82/59/1295238259.db2.gz KWOVQJCKYYYFBT-WDEREUQCSA-N 2 2 345.256 3.286 10 0 EGAELP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000872021562 1296663367 /nfs/dbraw/zinc/66/33/67/1296663367.db2.gz QNNGZSJGRBOHBO-IAGOWNOFSA-N 2 2 344.421 3.116 10 0 EGAELP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000872021562 1296663373 /nfs/dbraw/zinc/66/33/73/1296663373.db2.gz QNNGZSJGRBOHBO-IAGOWNOFSA-N 2 2 344.421 3.116 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872052870 1296702749 /nfs/dbraw/zinc/70/27/49/1296702749.db2.gz RCSBGFAFALXODT-KPFFTGBYSA-N 2 2 331.504 3.402 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000872150121 1296769491 /nfs/dbraw/zinc/76/94/91/1296769491.db2.gz DLXUHLUOXGBFBA-TZMCWYRMSA-N 2 2 341.402 3.379 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000872149167 1296769403 /nfs/dbraw/zinc/76/94/03/1296769403.db2.gz MMSRZWSWDNLLCL-KOLCDFICSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000872149167 1296769417 /nfs/dbraw/zinc/76/94/17/1296769417.db2.gz MMSRZWSWDNLLCL-KOLCDFICSA-N 2 2 340.361 3.126 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000872150121 1296769484 /nfs/dbraw/zinc/76/94/84/1296769484.db2.gz DLXUHLUOXGBFBA-TZMCWYRMSA-N 2 2 341.402 3.379 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633412 1297534967 /nfs/dbraw/zinc/53/49/67/1297534967.db2.gz UJPHYPFJMYMGDM-AEFFLSMTSA-N 2 2 325.456 3.233 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633412 1297534973 /nfs/dbraw/zinc/53/49/73/1297534973.db2.gz UJPHYPFJMYMGDM-AEFFLSMTSA-N 2 2 325.456 3.233 10 0 EGAELP C[C@H](CC(=O)O[C@H](C[N@@H+](C)Cc1ccccc1)C1CC1)n1cc[nH+]c1 ZINC000893696358 1306033348 /nfs/dbraw/zinc/03/33/48/1306033348.db2.gz GWMSKLNGVGDBAI-VQIMIIECSA-N 2 2 341.455 3.288 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894580520 1308964838 /nfs/dbraw/zinc/96/48/38/1308964838.db2.gz FCGUDQYEFQOGNW-UHFFFAOYSA-N 2 2 338.411 3.015 10 0 EGAELP Cc1ncoc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000895334904 1309287776 /nfs/dbraw/zinc/28/77/76/1309287776.db2.gz LNEDWEWMIBBFTJ-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP Cc1ncoc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000895334904 1309287781 /nfs/dbraw/zinc/28/77/81/1309287781.db2.gz LNEDWEWMIBBFTJ-SFHVURJKSA-N 2 2 325.456 3.375 10 0 EGAELP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000895470861 1309354122 /nfs/dbraw/zinc/35/41/22/1309354122.db2.gz OWPUKNMBYWIBFQ-UHFFFAOYSA-N 2 2 328.460 3.109 10 0 EGAELP COCC1(C[NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000895647109 1309446918 /nfs/dbraw/zinc/44/69/18/1309446918.db2.gz LYCRYCMBHUAYCW-LJQANCHMSA-N 2 2 329.488 3.200 10 0 EGAELP COCC1(C[NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000895647109 1309446923 /nfs/dbraw/zinc/44/69/23/1309446923.db2.gz LYCRYCMBHUAYCW-LJQANCHMSA-N 2 2 329.488 3.200 10 0 EGAELP Cc1cc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000895739886 1309498071 /nfs/dbraw/zinc/49/80/71/1309498071.db2.gz KDTOPSLJYPOKOU-CALCHBBNSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1cc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000895739886 1309498079 /nfs/dbraw/zinc/49/80/79/1309498079.db2.gz KDTOPSLJYPOKOU-CALCHBBNSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000895739886 1309498089 /nfs/dbraw/zinc/49/80/89/1309498089.db2.gz KDTOPSLJYPOKOU-CALCHBBNSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000895739886 1309498093 /nfs/dbraw/zinc/49/80/93/1309498093.db2.gz KDTOPSLJYPOKOU-CALCHBBNSA-N 2 2 343.471 3.224 10 0 EGAELP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000929640504 1328654541 /nfs/dbraw/zinc/65/45/41/1328654541.db2.gz VDMANFKJMWZUKI-OAHLLOKOSA-N 2 2 343.446 3.280 10 0 EGAELP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000929640504 1328654545 /nfs/dbraw/zinc/65/45/45/1328654545.db2.gz VDMANFKJMWZUKI-OAHLLOKOSA-N 2 2 343.446 3.280 10 0 EGAELP COC(=O)c1sccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215180 1328948133 /nfs/dbraw/zinc/94/81/33/1328948133.db2.gz XDVQIRMDQVUQME-UHFFFAOYSA-N 2 2 332.469 3.228 10 0 EGAELP COC(=O)c1sccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215180 1328948137 /nfs/dbraw/zinc/94/81/37/1328948137.db2.gz XDVQIRMDQVUQME-UHFFFAOYSA-N 2 2 332.469 3.228 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921750097 1322391302 /nfs/dbraw/zinc/39/13/02/1322391302.db2.gz SQGLVVHITMOTEM-MRXNPFEDSA-N 2 2 330.451 3.168 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000922956205 1322660759 /nfs/dbraw/zinc/66/07/59/1322660759.db2.gz QRDDIYHEHFZZBN-OLEQZPESSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000922956205 1322660763 /nfs/dbraw/zinc/66/07/63/1322660763.db2.gz QRDDIYHEHFZZBN-OLEQZPESSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000924539358 1323047038 /nfs/dbraw/zinc/04/70/38/1323047038.db2.gz CJPYCIBFVSPVQB-IEBWSBKVSA-N 2 2 332.536 3.294 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)cn1 ZINC000924725485 1323134861 /nfs/dbraw/zinc/13/48/61/1323134861.db2.gz WMGIKURCSXPZMW-CQSZACIVSA-N 2 2 336.443 3.348 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cn1 ZINC000924725484 1323135123 /nfs/dbraw/zinc/13/51/23/1323135123.db2.gz WMGIKURCSXPZMW-AWEZNQCLSA-N 2 2 336.443 3.348 10 0 EGAELP COc1ccc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000924796762 1323165983 /nfs/dbraw/zinc/16/59/83/1323165983.db2.gz WMYTWUSJQRLRFH-ROUUACIJSA-N 2 2 332.488 3.243 10 0 EGAELP COc1ccc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000924796762 1323165990 /nfs/dbraw/zinc/16/59/90/1323165990.db2.gz WMYTWUSJQRLRFH-ROUUACIJSA-N 2 2 332.488 3.243 10 0 EGAELP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000931350705 1329099965 /nfs/dbraw/zinc/09/99/65/1329099965.db2.gz UVAHENHYQTXOGR-OAHLLOKOSA-N 2 2 330.394 3.155 10 0 EGAELP c1cn(C[C@H]([NH2+]CCOC2CCSCC2)c2ccccc2)c[nH+]1 ZINC000931707078 1329167847 /nfs/dbraw/zinc/16/78/47/1329167847.db2.gz MTMOVYKZMFJRPV-SFHVURJKSA-N 2 2 331.485 3.126 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)CO1 ZINC000925149227 1325066184 /nfs/dbraw/zinc/06/61/84/1325066184.db2.gz OPBWKBDDNDUAHS-AFJQURTJSA-N 2 2 343.515 3.269 10 0 EGAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000925501538 1325179506 /nfs/dbraw/zinc/17/95/06/1325179506.db2.gz CUPAZUIHSSSGMQ-HUUCEWRRSA-N 2 2 329.271 3.291 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534174 1325196787 /nfs/dbraw/zinc/19/67/87/1325196787.db2.gz JGVLYBBKKWAZJM-NQYYFHDYSA-N 3 2 347.572 3.326 10 0 EGAELP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534174 1325196790 /nfs/dbraw/zinc/19/67/90/1325196790.db2.gz JGVLYBBKKWAZJM-NQYYFHDYSA-N 3 2 347.572 3.326 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925683459 1325260689 /nfs/dbraw/zinc/26/06/89/1325260689.db2.gz QJGYWOKZWWWJJA-KCUHQSDYSA-N 2 2 332.488 3.378 10 0 EGAELP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925683459 1325260695 /nfs/dbraw/zinc/26/06/95/1325260695.db2.gz QJGYWOKZWWWJJA-KCUHQSDYSA-N 2 2 332.488 3.378 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000925776931 1325296397 /nfs/dbraw/zinc/29/63/97/1325296397.db2.gz AZQLEYSSIWQAEC-WDEREUQCSA-N 2 2 333.220 3.345 10 0 EGAELP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925779411 1325296655 /nfs/dbraw/zinc/29/66/55/1325296655.db2.gz NBJRMCAYBQYNIE-MNOVXSKESA-N 2 2 348.821 3.253 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1sccc1Br ZINC000925782904 1325300222 /nfs/dbraw/zinc/30/02/22/1325300222.db2.gz MWNFXQARQQBARO-RKDXNWHRSA-N 2 2 339.249 3.406 10 0 EGAELP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785720 1325301004 /nfs/dbraw/zinc/30/10/04/1325301004.db2.gz VGRUKJLCZFNEII-AKHDSKFASA-N 3 2 349.469 3.016 10 0 EGAELP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925785720 1325301016 /nfs/dbraw/zinc/30/10/16/1325301016.db2.gz VGRUKJLCZFNEII-AKHDSKFASA-N 3 2 349.469 3.016 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1OC(F)F ZINC000925782543 1325301083 /nfs/dbraw/zinc/30/10/83/1325301083.db2.gz MCKMNJJEZRGKFQ-VHSXEESVSA-N 2 2 338.320 3.323 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926484654 1325571893 /nfs/dbraw/zinc/57/18/93/1325571893.db2.gz DBKCSAIIZFVKRJ-HZPDHXFCSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926484654 1325571906 /nfs/dbraw/zinc/57/19/06/1325571906.db2.gz DBKCSAIIZFVKRJ-HZPDHXFCSA-N 2 2 327.394 3.249 10 0 EGAELP Cc1c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccnc1F ZINC000862244102 1329470586 /nfs/dbraw/zinc/47/05/86/1329470586.db2.gz JECUYZXNKZLCDC-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccnc1F ZINC000862244102 1329470587 /nfs/dbraw/zinc/47/05/87/1329470587.db2.gz JECUYZXNKZLCDC-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862244102 1329470589 /nfs/dbraw/zinc/47/05/89/1329470589.db2.gz JECUYZXNKZLCDC-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862244102 1329470591 /nfs/dbraw/zinc/47/05/91/1329470591.db2.gz JECUYZXNKZLCDC-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@H]1c1cccs1 ZINC000865474942 1329702516 /nfs/dbraw/zinc/70/25/16/1329702516.db2.gz FOVSQTQLCVTXCI-KDOFPFPSSA-N 2 2 330.501 3.452 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@H]1c1cccs1 ZINC000865474942 1329702518 /nfs/dbraw/zinc/70/25/18/1329702518.db2.gz FOVSQTQLCVTXCI-KDOFPFPSSA-N 2 2 330.501 3.452 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2cc(F)ccc2F)n1 ZINC000865621760 1329721206 /nfs/dbraw/zinc/72/12/06/1329721206.db2.gz ZTKDETHQLWWLRM-HNNXBMFYSA-N 2 2 348.441 3.328 10 0 EGAELP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2cc(F)ccc2F)n1 ZINC000865621760 1329721207 /nfs/dbraw/zinc/72/12/07/1329721207.db2.gz ZTKDETHQLWWLRM-HNNXBMFYSA-N 2 2 348.441 3.328 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705182 1330143220 /nfs/dbraw/zinc/14/32/20/1330143220.db2.gz VEAUHZGYSDHYOQ-QRWLVFNGSA-N 2 2 347.503 3.109 10 0 EGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705182 1330143222 /nfs/dbraw/zinc/14/32/22/1330143222.db2.gz VEAUHZGYSDHYOQ-QRWLVFNGSA-N 2 2 347.503 3.109 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000866708103 1330143291 /nfs/dbraw/zinc/14/32/91/1330143291.db2.gz XQDULLGGNKJHPD-SFHVURJKSA-N 2 2 330.501 3.402 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000866708103 1330143293 /nfs/dbraw/zinc/14/32/93/1330143293.db2.gz XQDULLGGNKJHPD-SFHVURJKSA-N 2 2 330.501 3.402 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358041 1387351410 /nfs/dbraw/zinc/35/14/10/1387351410.db2.gz QVHKAYHUUZJGKB-MSOLQXFVSA-N 2 2 349.906 3.077 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001323358041 1387351411 /nfs/dbraw/zinc/35/14/11/1387351411.db2.gz QVHKAYHUUZJGKB-MSOLQXFVSA-N 2 2 349.906 3.077 10 0 EGAELP CC/C=C/CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323736001 1387437639 /nfs/dbraw/zinc/43/76/39/1387437639.db2.gz IJUGDYGTJHWTRW-ONEGZZNKSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323736001 1387437645 /nfs/dbraw/zinc/43/76/45/1387437645.db2.gz IJUGDYGTJHWTRW-ONEGZZNKSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323735999 1387438038 /nfs/dbraw/zinc/43/80/38/1387438038.db2.gz IJUGDYGTJHWTRW-ARJAWSKDSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C\CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323735999 1387438042 /nfs/dbraw/zinc/43/80/42/1387438042.db2.gz IJUGDYGTJHWTRW-ARJAWSKDSA-N 2 2 344.503 3.012 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(C)nc1Cl ZINC001324088680 1387537219 /nfs/dbraw/zinc/53/72/19/1387537219.db2.gz QVMRZXDWAUMYNI-UHFFFAOYSA-N 2 2 341.802 3.114 10 0 EGAELP CC1(NC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCC2=CCCCC2)CC1 ZINC001324318363 1387590373 /nfs/dbraw/zinc/59/03/73/1387590373.db2.gz KBZMNUUFNWXJIV-UHFFFAOYSA-N 2 2 344.503 3.204 10 0 EGAELP CC1(NC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCC2=CCCCC2)CC1 ZINC001324318363 1387590375 /nfs/dbraw/zinc/59/03/75/1387590375.db2.gz KBZMNUUFNWXJIV-UHFFFAOYSA-N 2 2 344.503 3.204 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324335068 1387596683 /nfs/dbraw/zinc/59/66/83/1387596683.db2.gz OSJWMLAAICEOIL-MRXNPFEDSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324335068 1387596690 /nfs/dbraw/zinc/59/66/90/1387596690.db2.gz OSJWMLAAICEOIL-MRXNPFEDSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901489 1388075802 /nfs/dbraw/zinc/07/58/02/1388075802.db2.gz XAYHTFVXEBIPJQ-RWQQGDIJSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325901489 1388075807 /nfs/dbraw/zinc/07/58/07/1388075807.db2.gz XAYHTFVXEBIPJQ-RWQQGDIJSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901489 1388075812 /nfs/dbraw/zinc/07/58/12/1388075812.db2.gz XAYHTFVXEBIPJQ-RWQQGDIJSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325901489 1388075819 /nfs/dbraw/zinc/07/58/19/1388075819.db2.gz XAYHTFVXEBIPJQ-RWQQGDIJSA-N 2 2 344.503 3.015 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001326318721 1388151800 /nfs/dbraw/zinc/15/18/00/1388151800.db2.gz SBLDBKSSDQJQJM-GOSISDBHSA-N 2 2 329.488 3.249 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001326380257 1388171607 /nfs/dbraw/zinc/17/16/07/1388171607.db2.gz JHOXRMMPHGNMCY-HKUYNNGSSA-N 2 2 344.503 3.163 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735921 1377519746 /nfs/dbraw/zinc/51/97/46/1377519746.db2.gz PAYVEJVMDRBSGJ-IEBWSBKVSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735921 1377519750 /nfs/dbraw/zinc/51/97/50/1377519750.db2.gz PAYVEJVMDRBSGJ-IEBWSBKVSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001271628609 1377643915 /nfs/dbraw/zinc/64/39/15/1377643915.db2.gz IFZIXNGYURAPIP-AEFFLSMTSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)C2CCC([NH2+]CCC(C)C)CC2)c[nH+]1 ZINC001275609263 1378148131 /nfs/dbraw/zinc/14/81/31/1378148131.db2.gz PBKCNGSUZHFHNS-UHFFFAOYSA-N 2 2 348.535 3.332 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001275827998 1378158572 /nfs/dbraw/zinc/15/85/72/1378158572.db2.gz QMELQDXDDPLQCZ-AWEZNQCLSA-N 2 2 342.487 3.129 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CC3CC(C)(C)C3)ccn12 ZINC001275827998 1378158578 /nfs/dbraw/zinc/15/85/78/1378158578.db2.gz QMELQDXDDPLQCZ-AWEZNQCLSA-N 2 2 342.487 3.129 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528540 1388549421 /nfs/dbraw/zinc/54/94/21/1388549421.db2.gz ADUBUOIDFAYQME-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001327528540 1388549425 /nfs/dbraw/zinc/54/94/25/1388549425.db2.gz ADUBUOIDFAYQME-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528540 1388549426 /nfs/dbraw/zinc/54/94/26/1388549426.db2.gz ADUBUOIDFAYQME-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001327528540 1388549429 /nfs/dbraw/zinc/54/94/29/1388549429.db2.gz ADUBUOIDFAYQME-YLJYHZDGSA-N 2 2 346.519 3.093 10 0 EGAELP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001282469276 1378508836 /nfs/dbraw/zinc/50/88/36/1378508836.db2.gz PRYWIPPCSIJFCI-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001282469276 1378508839 /nfs/dbraw/zinc/50/88/39/1378508839.db2.gz PRYWIPPCSIJFCI-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001283267277 1378777127 /nfs/dbraw/zinc/77/71/27/1378777127.db2.gz ASLYXBZQXSXEGG-OAHLLOKOSA-N 2 2 346.519 3.106 10 0 EGAELP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC001327754700 1388593183 /nfs/dbraw/zinc/59/31/83/1388593183.db2.gz ICLNTURNUYLHRF-JBLLZRQOSA-N 2 2 341.680 3.431 10 0 EGAELP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001283997956 1379352239 /nfs/dbraw/zinc/35/22/39/1379352239.db2.gz FJLJLBVHHLPLPM-FUHWJXTLSA-N 2 2 340.471 3.111 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058313 1379410085 /nfs/dbraw/zinc/41/00/85/1379410085.db2.gz PWEZMTYUDQLWTN-BJLQDIEVSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284058313 1379410088 /nfs/dbraw/zinc/41/00/88/1379410088.db2.gz PWEZMTYUDQLWTN-BJLQDIEVSA-N 2 2 346.519 3.069 10 0 EGAELP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001284291817 1379679852 /nfs/dbraw/zinc/67/98/52/1379679852.db2.gz AOAZKHQLQARAEN-SUMWQHHRSA-N 2 2 328.460 3.049 10 0 EGAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001284815483 1380240634 /nfs/dbraw/zinc/24/06/34/1380240634.db2.gz JQFMJETUWLEHDT-UHFFFAOYSA-N 2 2 334.508 3.093 10 0 EGAELP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CCCC1 ZINC001290960725 1382118101 /nfs/dbraw/zinc/11/81/01/1382118101.db2.gz IGKPCUAOGIAGTH-CALCHBBNSA-N 2 2 344.503 3.043 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3ccc(C4OCCO4)cc3)c2)c[nH+]1 ZINC001308263323 1384114127 /nfs/dbraw/zinc/11/41/27/1384114127.db2.gz OVAUJQCVPISKCE-UHFFFAOYSA-N 2 2 341.436 3.269 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001316725242 1384544747 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2 334.508 3.241 10 0 EGAELP CC(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317176674 1384949015 /nfs/dbraw/zinc/94/90/15/1384949015.db2.gz CLAQFCJANPKJLY-QZTJIDSGSA-N 2 2 334.508 3.241 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317189910 1384963969 /nfs/dbraw/zinc/96/39/69/1384963969.db2.gz PJKAURHKQXXCFJ-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317687152 1385398653 /nfs/dbraw/zinc/39/86/53/1385398653.db2.gz QYQKPMRJQBWVIT-OAHLLOKOSA-N 2 2 340.471 3.359 10 0 EGAELP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C)C1CC1 ZINC001175874518 1385427403 /nfs/dbraw/zinc/42/74/03/1385427403.db2.gz QVYIMGXXMNACPA-ZWKOTPCHSA-N 2 2 336.907 3.363 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C)C1CC1 ZINC001175874518 1385427405 /nfs/dbraw/zinc/42/74/05/1385427405.db2.gz QVYIMGXXMNACPA-ZWKOTPCHSA-N 2 2 336.907 3.363 10 0 EGAELP 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ZINC001482475682 1395030025 /nfs/dbraw/zinc/03/00/25/1395030025.db2.gz YAHXZTDGTUGFKU-ZWKOTPCHSA-N 2 2 348.535 3.189 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001483968091 1395168018 /nfs/dbraw/zinc/16/80/18/1395168018.db2.gz UBJYRLZVLQSMHT-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491966482 1396301615 /nfs/dbraw/zinc/30/16/15/1396301615.db2.gz FEXDTROPGCAINN-LJQANCHMSA-N 2 2 344.503 3.087 10 0 EGAELP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491966482 1396301616 /nfs/dbraw/zinc/30/16/16/1396301616.db2.gz FEXDTROPGCAINN-LJQANCHMSA-N 2 2 344.503 3.087 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[N@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001492291834 1396318055 /nfs/dbraw/zinc/31/80/55/1396318055.db2.gz FTQNEYLJXWUQDD-CTWPCTMYSA-N 2 2 348.535 3.345 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[N@@H+](C)CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001492291834 1396318056 /nfs/dbraw/zinc/31/80/56/1396318056.db2.gz FTQNEYLJXWUQDD-CTWPCTMYSA-N 2 2 348.535 3.345 10 0 EGAELP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001689050214 1396844072 /nfs/dbraw/zinc/84/40/72/1396844072.db2.gz WFFTVFSMFMQUJW-LPHOPBHVSA-N 2 2 340.471 3.113 10 0 EGAELP CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365587 1403704974 /nfs/dbraw/zinc/70/49/74/1403704974.db2.gz JCFAVUMTLSOQKI-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CCCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365587 1403704978 /nfs/dbraw/zinc/70/49/78/1403704978.db2.gz JCFAVUMTLSOQKI-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385989 1404519007 /nfs/dbraw/zinc/51/90/07/1404519007.db2.gz TUYCXXCQWVJGSX-IDOMTICXSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001690385989 1404519010 /nfs/dbraw/zinc/51/90/10/1404519010.db2.gz TUYCXXCQWVJGSX-IDOMTICXSA-N 2 2 340.471 3.132 10 0 EGAELP 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CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001691864568 1405583724 /nfs/dbraw/zinc/58/37/24/1405583724.db2.gz OZMHFQQJMAPDSF-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691901378 1405624796 /nfs/dbraw/zinc/62/47/96/1405624796.db2.gz XEYKXCFQEBZQOU-GVDBMIGSSA-N 2 2 335.467 3.243 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001692010464 1405729510 /nfs/dbraw/zinc/72/95/10/1405729510.db2.gz VYIITKSGTMSRDU-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692120707 1405782680 /nfs/dbraw/zinc/78/26/80/1405782680.db2.gz JLLYHCGFYVFEQQ-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692120707 1405782682 /nfs/dbraw/zinc/78/26/82/1405782682.db2.gz JLLYHCGFYVFEQQ-BRMSOJTESA-N 2 2 344.503 3.230 10 0 EGAELP 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ZINC001699464042 1412826090 /nfs/dbraw/zinc/82/60/90/1412826090.db2.gz MMTPRQFXKUCESA-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1)n1cc[nH+]c1 ZINC001699464042 1412826100 /nfs/dbraw/zinc/82/61/00/1412826100.db2.gz MMTPRQFXKUCESA-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)c(C)[nH+]1 ZINC001699583455 1412940261 /nfs/dbraw/zinc/94/02/61/1412940261.db2.gz MBDBWCQPYHQRGY-QGZVFWFLSA-N 2 2 343.496 3.367 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001699806475 1413221051 /nfs/dbraw/zinc/22/10/51/1413221051.db2.gz MDDFVPGNIZIQFY-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001699806475 1413221056 /nfs/dbraw/zinc/22/10/56/1413221056.db2.gz MDDFVPGNIZIQFY-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001699814226 1413231113 /nfs/dbraw/zinc/23/11/13/1413231113.db2.gz 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CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001716962076 1421053056 /nfs/dbraw/zinc/05/30/56/1421053056.db2.gz WHINWRYLJAGVLS-SJLPKXTDSA-N 2 2 342.487 3.273 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001717121918 1421124969 /nfs/dbraw/zinc/12/49/69/1421124969.db2.gz RHZXZDPPVRAXBO-KZNAEPCWSA-N 2 2 334.508 3.143 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197138 1421163953 /nfs/dbraw/zinc/16/39/53/1421163953.db2.gz UEAAIWCVUNWUND-PNBJTTCPSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717197138 1421163955 /nfs/dbraw/zinc/16/39/55/1421163955.db2.gz UEAAIWCVUNWUND-PNBJTTCPSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717197138 1421163959 /nfs/dbraw/zinc/16/39/59/1421163959.db2.gz UEAAIWCVUNWUND-PNBJTTCPSA-N 2 2 344.503 3.230 10 0 EGAELP 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ZINC001717558763 1421495201 /nfs/dbraw/zinc/49/52/01/1421495201.db2.gz KZEFHPRLNSGQHA-DLBZAZTESA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001717644229 1421547541 /nfs/dbraw/zinc/54/75/41/1421547541.db2.gz FEAABSSIWZZCIG-WKILWMFISA-N 2 2 342.487 3.259 10 0 EGAELP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717707390 1421582644 /nfs/dbraw/zinc/58/26/44/1421582644.db2.gz RBSOFGLILHKWJA-UHFFFAOYSA-N 2 2 342.487 3.104 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1C[NH+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001733307586 1429491008 /nfs/dbraw/zinc/49/10/08/1429491008.db2.gz XLZPTHGFXQIKGU-GOSISDBHSA-N 2 2 348.535 3.439 10 0 EGAELP CC[C@@H](F)C[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001717948789 1421716138 /nfs/dbraw/zinc/71/61/38/1421716138.db2.gz ZVUOLOUWJJDRNN-QGZVFWFLSA-N 2 2 348.466 3.173 10 0 EGAELP CC[C@@H](F)C[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001717948789 1421716140 /nfs/dbraw/zinc/71/61/40/1421716140.db2.gz ZVUOLOUWJJDRNN-QGZVFWFLSA-N 2 2 348.466 3.173 10 0 EGAELP CC(C)C[C@H](C(=O)NC1(C)CC[NH+](CC2CCC2)CC1)n1cc[nH+]c1 ZINC001733357849 1429539698 /nfs/dbraw/zinc/53/96/98/1429539698.db2.gz WPHPDSKRRGCQGP-GOSISDBHSA-N 2 2 346.519 3.241 10 0 EGAELP CCCCC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001733448963 1429660067 /nfs/dbraw/zinc/66/00/67/1429660067.db2.gz VRXJRCHHZMMXEH-UHFFFAOYSA-N 2 2 347.503 3.041 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001722940612 1424267853 /nfs/dbraw/zinc/26/78/53/1424267853.db2.gz RBUUMYJADUYXNE-MJGOQNOKSA-N 2 2 344.503 3.107 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001722940612 1424267854 /nfs/dbraw/zinc/26/78/54/1424267854.db2.gz RBUUMYJADUYXNE-MJGOQNOKSA-N 2 2 344.503 3.107 10 0 EGAELP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001724301060 1424785039 /nfs/dbraw/zinc/78/50/39/1424785039.db2.gz OVFLCCVUIDYRCU-QWNKOJSDSA-N 2 2 346.519 3.409 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001724758768 1425128885 /nfs/dbraw/zinc/12/88/85/1425128885.db2.gz DQPOLLIOSSCDIC-XDXAGZTOSA-N 2 2 344.503 3.115 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001724997438 1425404128 /nfs/dbraw/zinc/40/41/28/1425404128.db2.gz SHYMHJPQIQDKIR-WMZOPIPTSA-N 2 2 347.503 3.182 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001724997438 1425404130 /nfs/dbraw/zinc/40/41/30/1425404130.db2.gz SHYMHJPQIQDKIR-WMZOPIPTSA-N 2 2 347.503 3.182 10 0 EGAELP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725041622 1425467372 /nfs/dbraw/zinc/46/73/72/1425467372.db2.gz OIUHFFCMPJRLAO-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725041622 1425467373 /nfs/dbraw/zinc/46/73/73/1425467373.db2.gz OIUHFFCMPJRLAO-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725041622 1425467374 /nfs/dbraw/zinc/46/73/74/1425467374.db2.gz OIUHFFCMPJRLAO-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725041622 1425467375 /nfs/dbraw/zinc/46/73/75/1425467375.db2.gz OIUHFFCMPJRLAO-BRWVUGGUSA-N 2 2 332.492 3.016 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062932 1425504143 /nfs/dbraw/zinc/50/41/43/1425504143.db2.gz YKJSWIKNQWOSHX-OALUTQOASA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062932 1425504145 /nfs/dbraw/zinc/50/41/45/1425504145.db2.gz YKJSWIKNQWOSHX-OALUTQOASA-N 2 2 346.519 3.024 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001725143957 1425624252 /nfs/dbraw/zinc/62/42/52/1425624252.db2.gz XZRDZZBGLCYUQD-UHFFFAOYSA-N 2 2 349.519 3.143 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001725184959 1425715185 /nfs/dbraw/zinc/71/51/85/1425715185.db2.gz NWZUPKWNRLUWKO-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001725184959 1425715190 /nfs/dbraw/zinc/71/51/90/1425715190.db2.gz NWZUPKWNRLUWKO-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535197 1427530421 /nfs/dbraw/zinc/53/04/21/1427530421.db2.gz BGDXJLWNSZSPJY-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535197 1427530425 /nfs/dbraw/zinc/53/04/25/1427530425.db2.gz BGDXJLWNSZSPJY-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731543401 1427556965 /nfs/dbraw/zinc/55/69/65/1427556965.db2.gz LHIFQUHLXSINFZ-IFOCYFHOSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731543401 1427556966 /nfs/dbraw/zinc/55/69/66/1427556966.db2.gz LHIFQUHLXSINFZ-IFOCYFHOSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001733681991 1429892503 /nfs/dbraw/zinc/89/25/03/1429892503.db2.gz NPHSAELECVSCPB-BMGDILEWSA-N 2 2 340.471 3.136 10 0 EGAELP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001733681991 1429892511 /nfs/dbraw/zinc/89/25/11/1429892511.db2.gz NPHSAELECVSCPB-BMGDILEWSA-N 2 2 340.471 3.136 10 0 EGAELP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001733681992 1429893063 /nfs/dbraw/zinc/89/30/63/1429893063.db2.gz NPHSAELECVSCPB-ZTFGCOKTSA-N 2 2 340.471 3.136 10 0 EGAELP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001733681992 1429893070 /nfs/dbraw/zinc/89/30/70/1429893070.db2.gz NPHSAELECVSCPB-ZTFGCOKTSA-N 2 2 340.471 3.136 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)CC1 ZINC001733692186 1429909223 /nfs/dbraw/zinc/90/92/23/1429909223.db2.gz YCDWHLZUPOITJE-WGSAOQKQSA-N 2 2 346.519 3.118 10 0 EGAELP CC1(C)CC(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CCC2)C1 ZINC001733717855 1429937225 /nfs/dbraw/zinc/93/72/25/1429937225.db2.gz BVCSHKJDVMZYAE-UHFFFAOYSA-N 2 2 340.471 3.013 10 0 EGAELP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733774503 1430016675 /nfs/dbraw/zinc/01/66/75/1430016675.db2.gz UYGSMKPGXZPIQW-UHFFFAOYSA-N 2 2 340.471 3.457 10 0 EGAELP CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733774503 1430016679 /nfs/dbraw/zinc/01/66/79/1430016679.db2.gz UYGSMKPGXZPIQW-UHFFFAOYSA-N 2 2 340.471 3.457 10 0 EGAELP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876176 1437703518 /nfs/dbraw/zinc/70/35/18/1437703518.db2.gz UBECJMRFBKCXDS-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876176 1437703519 /nfs/dbraw/zinc/70/35/19/1437703519.db2.gz UBECJMRFBKCXDS-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733932928 1437746341 /nfs/dbraw/zinc/74/63/41/1437746341.db2.gz RTTNKQNECZHKAL-QGZVFWFLSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733932928 1437746343 /nfs/dbraw/zinc/74/63/43/1437746343.db2.gz RTTNKQNECZHKAL-QGZVFWFLSA-N 2 2 334.508 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C)c[nH+]1 ZINC001734079325 1437866798 /nfs/dbraw/zinc/86/67/98/1437866798.db2.gz NSPJCQRYDFHNNL-KRWDZBQOSA-N 2 2 336.524 3.045 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001734104669 1437890856 /nfs/dbraw/zinc/89/08/56/1437890856.db2.gz XDDNDNQUCAUNAY-IBGZPJMESA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001734104669 1437890858 /nfs/dbraw/zinc/89/08/58/1437890858.db2.gz XDDNDNQUCAUNAY-IBGZPJMESA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001734104669 1437890859 /nfs/dbraw/zinc/89/08/59/1437890859.db2.gz XDDNDNQUCAUNAY-IBGZPJMESA-N 2 2 344.503 3.204 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC001734104669 1437890863 /nfs/dbraw/zinc/89/08/63/1437890863.db2.gz XDDNDNQUCAUNAY-IBGZPJMESA-N 2 2 344.503 3.204 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106630 1437893015 /nfs/dbraw/zinc/89/30/15/1437893015.db2.gz RTZUFGYKYYTZES-OOFWQKGWSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106630 1437893017 /nfs/dbraw/zinc/89/30/17/1437893017.db2.gz RTZUFGYKYYTZES-OOFWQKGWSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1Cl ZINC001734256303 1437971639 /nfs/dbraw/zinc/97/16/39/1437971639.db2.gz HGFCJOCINCPGJD-UONOGXRCSA-N 2 2 348.878 3.241 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001734392315 1438079518 /nfs/dbraw/zinc/07/95/18/1438079518.db2.gz AJUFZOXEKUTWME-VQIMIIECSA-N 2 2 340.471 3.255 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750943130 1440117171 /nfs/dbraw/zinc/11/71/71/1440117171.db2.gz CGUUQIWUYVRRAI-ROUUACIJSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750943130 1440117172 /nfs/dbraw/zinc/11/71/72/1440117172.db2.gz CGUUQIWUYVRRAI-ROUUACIJSA-N 2 2 346.519 3.407 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)c1C ZINC000178288464 232127767 /nfs/dbraw/zinc/12/77/67/232127767.db2.gz GVZUSGSSHRQWGZ-MRXNPFEDSA-N 2 2 346.500 3.281 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)c1C ZINC000178288464 232127770 /nfs/dbraw/zinc/12/77/70/232127770.db2.gz GVZUSGSSHRQWGZ-MRXNPFEDSA-N 2 2 346.500 3.281 10 0 EGAELP C[N@H+](Cc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746492 213382451 /nfs/dbraw/zinc/38/24/51/213382451.db2.gz DQWDXDMIDXNUIF-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP C[N@@H+](Cc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746492 213382453 /nfs/dbraw/zinc/38/24/53/213382453.db2.gz DQWDXDMIDXNUIF-PBWFPOADSA-N 2 2 327.241 3.303 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000130628970 223165730 /nfs/dbraw/zinc/16/57/30/223165730.db2.gz SRSRYAGJPMSBQL-KSSFIOAISA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000130628970 223165732 /nfs/dbraw/zinc/16/57/32/223165732.db2.gz SRSRYAGJPMSBQL-KSSFIOAISA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628970 223165734 /nfs/dbraw/zinc/16/57/34/223165734.db2.gz SRSRYAGJPMSBQL-KSSFIOAISA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628970 223165736 /nfs/dbraw/zinc/16/57/36/223165736.db2.gz SRSRYAGJPMSBQL-KSSFIOAISA-N 2 2 332.879 3.440 10 0 EGAELP Fc1ccc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000377716692 169067073 /nfs/dbraw/zinc/06/70/73/169067073.db2.gz CQQGULJZFYJHAU-CYBMUJFWSA-N 2 2 328.416 3.319 10 0 EGAELP Fc1ccc(-c2nc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cs2)cc1 ZINC000377716692 169067074 /nfs/dbraw/zinc/06/70/74/169067074.db2.gz CQQGULJZFYJHAU-CYBMUJFWSA-N 2 2 328.416 3.319 10 0 EGAELP c1cnn(-c2ccc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)cc2)c1 ZINC000095420351 218360704 /nfs/dbraw/zinc/36/07/04/218360704.db2.gz IEYNHXBPXAQQBU-UHFFFAOYSA-N 2 2 347.466 3.022 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267503933 251113818 /nfs/dbraw/zinc/11/38/18/251113818.db2.gz VQSPCWHSJVEMAA-QGZVFWFLSA-N 2 2 343.471 3.152 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762734 252212861 /nfs/dbraw/zinc/21/28/61/252212861.db2.gz MEVRSKSCOYURBQ-WIYYLYMNSA-N 3 2 348.494 3.377 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762734 252212866 /nfs/dbraw/zinc/21/28/66/252212866.db2.gz MEVRSKSCOYURBQ-WIYYLYMNSA-N 3 2 348.494 3.377 10 0 EGAELP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c(C4CC4)n3)c2)CCO1 ZINC000112553652 220348812 /nfs/dbraw/zinc/34/88/12/220348812.db2.gz PUFGTEVZIUDDMG-HNNXBMFYSA-N 2 2 338.455 3.187 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c(C4CC4)n3)c2)CCO1 ZINC000112553652 220348816 /nfs/dbraw/zinc/34/88/16/220348816.db2.gz PUFGTEVZIUDDMG-HNNXBMFYSA-N 2 2 338.455 3.187 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000112632151 220360888 /nfs/dbraw/zinc/36/08/88/220360888.db2.gz BVURXOHHJRKGNG-QGZVFWFLSA-N 2 2 337.423 3.184 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000112632151 220360891 /nfs/dbraw/zinc/36/08/91/220360891.db2.gz BVURXOHHJRKGNG-QGZVFWFLSA-N 2 2 337.423 3.184 10 0 EGAELP C[N@H+](CCSc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000117880211 221095911 /nfs/dbraw/zinc/09/59/11/221095911.db2.gz JINLWTIWBUJYME-UHFFFAOYSA-N 2 2 344.528 3.072 10 0 EGAELP C[N@@H+](CCSc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000117880211 221095913 /nfs/dbraw/zinc/09/59/13/221095913.db2.gz JINLWTIWBUJYME-UHFFFAOYSA-N 2 2 344.528 3.072 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000328627884 258030582 /nfs/dbraw/zinc/03/05/82/258030582.db2.gz GRRFBUOKRQGGOD-SJLPKXTDSA-N 2 2 340.402 3.117 10 0 EGAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccccc1 ZINC000328623927 258034416 /nfs/dbraw/zinc/03/44/16/258034416.db2.gz CDWUOVFZEIPEBY-GBESFXJTSA-N 2 2 338.455 3.283 10 0 EGAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccccc1 ZINC000328623927 258034417 /nfs/dbraw/zinc/03/44/17/258034417.db2.gz CDWUOVFZEIPEBY-GBESFXJTSA-N 2 2 338.455 3.283 10 0 EGAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccccc1 ZINC000328623927 258034419 /nfs/dbraw/zinc/03/44/19/258034419.db2.gz CDWUOVFZEIPEBY-GBESFXJTSA-N 2 2 338.455 3.283 10 0 EGAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccccc1 ZINC000328623927 258034420 /nfs/dbraw/zinc/03/44/20/258034420.db2.gz CDWUOVFZEIPEBY-GBESFXJTSA-N 2 2 338.455 3.283 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907655 533474530 /nfs/dbraw/zinc/47/45/30/533474530.db2.gz OXLKKSUNTUAPJO-CQSZACIVSA-N 2 2 336.443 3.119 10 0 EGAELP CCc1[nH+]c(-c2ccc(OC)cc2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684571 135620170 /nfs/dbraw/zinc/62/01/70/135620170.db2.gz TXPHQPNCWNJZDY-UHFFFAOYSA-N 2 2 340.471 3.198 10 0 EGAELP Cc1[nH+]cc(C[NH2+]CCc2cnc(C3CC3)nc2)n1-c1ccccc1 ZINC000339497044 141123067 /nfs/dbraw/zinc/12/30/67/141123067.db2.gz DFPDHUYZXHWGSP-UHFFFAOYSA-N 2 2 333.439 3.180 10 0 EGAELP CC[N@H+](Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1)C(C)C ZINC000357927951 141360391 /nfs/dbraw/zinc/36/03/91/141360391.db2.gz AXXJXXVFKPRVMQ-UHFFFAOYSA-N 2 2 339.443 3.291 10 0 EGAELP CC[N@@H+](Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1)C(C)C ZINC000357927951 141360393 /nfs/dbraw/zinc/36/03/93/141360393.db2.gz AXXJXXVFKPRVMQ-UHFFFAOYSA-N 2 2 339.443 3.291 10 0 EGAELP CCC[NH+](CCC)CCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184237135 144089234 /nfs/dbraw/zinc/08/92/34/144089234.db2.gz CCHPRZBFBWENEF-UHFFFAOYSA-N 2 2 346.519 3.023 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110258 153243607 /nfs/dbraw/zinc/24/36/07/153243607.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 3 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110258 153243612 /nfs/dbraw/zinc/24/36/12/153243612.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110258 153243617 /nfs/dbraw/zinc/24/36/17/153243617.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 3 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000192110258 153243620 /nfs/dbraw/zinc/24/36/20/153243620.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 3 2 326.488 3.343 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658237 153299167 /nfs/dbraw/zinc/29/91/67/153299167.db2.gz DKHJXHMSPLUWSA-TWMKSMIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658237 153299171 /nfs/dbraw/zinc/29/91/71/153299171.db2.gz DKHJXHMSPLUWSA-TWMKSMIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658237 153299174 /nfs/dbraw/zinc/29/91/74/153299174.db2.gz DKHJXHMSPLUWSA-TWMKSMIVSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658237 153299181 /nfs/dbraw/zinc/29/91/81/153299181.db2.gz DKHJXHMSPLUWSA-TWMKSMIVSA-N 2 2 329.488 3.021 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071714 154138019 /nfs/dbraw/zinc/13/80/19/154138019.db2.gz ACKOZLLJAXITGS-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310071714 154138028 /nfs/dbraw/zinc/13/80/28/154138028.db2.gz ACKOZLLJAXITGS-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310071714 154138030 /nfs/dbraw/zinc/13/80/30/154138030.db2.gz ACKOZLLJAXITGS-VURPSTOHSA-N 3 2 329.532 3.217 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000352611654 156379253 /nfs/dbraw/zinc/37/92/53/156379253.db2.gz JEWHBFBVIBKQQU-MJGOQNOKSA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000352611654 156379255 /nfs/dbraw/zinc/37/92/55/156379255.db2.gz JEWHBFBVIBKQQU-MJGOQNOKSA-N 2 2 331.504 3.435 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1csc(COc3ccccc3)n1)C2 ZINC000368685876 157265000 /nfs/dbraw/zinc/26/50/00/157265000.db2.gz BYIMIGFWWDFGMU-ZDUSSCGKSA-N 2 2 340.452 3.092 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)CC2 ZINC000368685876 157265002 /nfs/dbraw/zinc/26/50/02/157265002.db2.gz BYIMIGFWWDFGMU-ZDUSSCGKSA-N 2 2 340.452 3.092 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000151316386 286909684 /nfs/dbraw/zinc/90/96/84/286909684.db2.gz JKPIWFVVRXPSBP-GDBMZVCRSA-N 2 2 342.430 3.176 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cncc(F)c1 ZINC000126274235 162298114 /nfs/dbraw/zinc/29/81/14/162298114.db2.gz DVNXCCHBJZASCL-DOXZYTNZSA-N 2 2 328.435 3.177 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cncc(F)c1 ZINC000126274235 162298116 /nfs/dbraw/zinc/29/81/16/162298116.db2.gz DVNXCCHBJZASCL-DOXZYTNZSA-N 2 2 328.435 3.177 10 0 EGAELP CC[NH+](CC)CCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000338347559 163218204 /nfs/dbraw/zinc/21/82/04/163218204.db2.gz BMOCFEFAQVILGC-UHFFFAOYSA-N 2 2 349.338 3.037 10 0 EGAELP CC[NH+](CC)CCC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000338347559 163218206 /nfs/dbraw/zinc/21/82/06/163218206.db2.gz BMOCFEFAQVILGC-UHFFFAOYSA-N 2 2 349.338 3.037 10 0 EGAELP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343667554 164007805 /nfs/dbraw/zinc/00/78/05/164007805.db2.gz ZORZWFMUMATEKI-QGZVFWFLSA-N 2 2 327.457 3.395 10 0 EGAELP Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343667554 164007806 /nfs/dbraw/zinc/00/78/06/164007806.db2.gz ZORZWFMUMATEKI-QGZVFWFLSA-N 2 2 327.457 3.395 10 0 EGAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344129747 164110421 /nfs/dbraw/zinc/11/04/21/164110421.db2.gz OSHDJLLNQSLDST-PMACEKPBSA-N 2 2 349.563 3.221 10 0 EGAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344129747 164110423 /nfs/dbraw/zinc/11/04/23/164110423.db2.gz OSHDJLLNQSLDST-PMACEKPBSA-N 2 2 349.563 3.221 10 0 EGAELP COCC[N@H+](Cc1cccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346151320 164351032 /nfs/dbraw/zinc/35/10/32/164351032.db2.gz YBZDIKLCQQALRD-UHFFFAOYSA-N 2 2 342.468 3.286 10 0 EGAELP COCC[N@@H+](Cc1cccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346151320 164351034 /nfs/dbraw/zinc/35/10/34/164351034.db2.gz YBZDIKLCQQALRD-UHFFFAOYSA-N 2 2 342.468 3.286 10 0 EGAELP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCC1 ZINC000346491809 164385832 /nfs/dbraw/zinc/38/58/32/164385832.db2.gz PETVSCZYULWUBY-DNVCBOLYSA-N 2 2 328.435 3.027 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000351003200 165091283 /nfs/dbraw/zinc/09/12/83/165091283.db2.gz SGTJNZUTGRXMPQ-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000358986947 167028119 /nfs/dbraw/zinc/02/81/19/167028119.db2.gz ONYSQKIFSYMEFQ-TZIWHRDSSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000358986947 167028122 /nfs/dbraw/zinc/02/81/22/167028122.db2.gz ONYSQKIFSYMEFQ-TZIWHRDSSA-N 2 2 338.499 3.442 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000359541540 167186334 /nfs/dbraw/zinc/18/63/34/167186334.db2.gz RNJUUUOVLLGFQL-INIZCTEOSA-N 2 2 339.361 3.284 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000359541540 167186337 /nfs/dbraw/zinc/18/63/37/167186337.db2.gz RNJUUUOVLLGFQL-INIZCTEOSA-N 2 2 339.361 3.284 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366288475 168102285 /nfs/dbraw/zinc/10/22/85/168102285.db2.gz VBCLTKZLDREEDM-UHFFFAOYSA-N 2 2 332.879 3.333 10 0 EGAELP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000367684893 168258640 /nfs/dbraw/zinc/25/86/40/168258640.db2.gz JENLCJFRPXQTLP-LBPRGKRZSA-N 2 2 333.423 3.326 10 0 EGAELP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000367684893 168258641 /nfs/dbraw/zinc/25/86/41/168258641.db2.gz JENLCJFRPXQTLP-LBPRGKRZSA-N 2 2 333.423 3.326 10 0 EGAELP COCC[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278430076 268011059 /nfs/dbraw/zinc/01/10/59/268011059.db2.gz JHWVUPXRJNTCFY-SFHVURJKSA-N 2 2 340.471 3.019 10 0 EGAELP COCC[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278430076 268011061 /nfs/dbraw/zinc/01/10/61/268011061.db2.gz JHWVUPXRJNTCFY-SFHVURJKSA-N 2 2 340.471 3.019 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[N@@H+]1C ZINC000279287828 275319501 /nfs/dbraw/zinc/31/95/01/275319501.db2.gz YIBWDWTZCWXWJC-JSGCOSHPSA-N 2 2 326.444 3.499 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[N@H+]1C ZINC000279287828 275319503 /nfs/dbraw/zinc/31/95/03/275319503.db2.gz YIBWDWTZCWXWJC-JSGCOSHPSA-N 2 2 326.444 3.499 10 0 EGAELP Cc1noc(C2CCC([NH2+][C@H](Cc3ccccc3)C[NH+](C)C)CC2)n1 ZINC000292346682 276775391 /nfs/dbraw/zinc/77/53/91/276775391.db2.gz XZUKBLHADZPNFV-CTWPCTMYSA-N 2 2 342.487 3.167 10 0 EGAELP C[C@@H]1CC(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000180791582 278440836 /nfs/dbraw/zinc/44/08/36/278440836.db2.gz RACMMTTZSSKKOR-ROUUACIJSA-N 2 2 349.563 3.125 10 0 EGAELP CCc1ccc(C[NH+]2CCN(Cc3cc(OC)cc[nH+]3)CC2)s1 ZINC000156783827 307838201 /nfs/dbraw/zinc/83/82/01/307838201.db2.gz NELNTHVLKSESAD-UHFFFAOYSA-N 2 2 331.485 3.032 10 0 EGAELP COc1ccc(C[NH+]2CCC(Nc3cc(C)[nH+]cn3)CC2)cc1F ZINC000301233729 308692824 /nfs/dbraw/zinc/69/28/24/308692824.db2.gz JAVNNIGCXONXBY-UHFFFAOYSA-N 2 2 330.407 3.009 10 0 EGAELP Cc1ccc2nc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cn2c1 ZINC000341095170 308880032 /nfs/dbraw/zinc/88/00/32/308880032.db2.gz SAJWNJQLVDXGPJ-UHFFFAOYSA-N 2 2 331.423 3.177 10 0 EGAELP OC1(CNc2ccc3ccccc3[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000397596965 308904639 /nfs/dbraw/zinc/90/46/39/308904639.db2.gz MEMYBSUIJSWPAC-UHFFFAOYSA-N 2 2 347.462 3.096 10 0 EGAELP Fc1cccc(N2CCCC2)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880060 309107009 /nfs/dbraw/zinc/10/70/09/309107009.db2.gz PPQWROGVLNBCRC-UHFFFAOYSA-N 2 2 342.462 3.090 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OCc1ccccc1 ZINC000414939484 309110271 /nfs/dbraw/zinc/11/02/71/309110271.db2.gz WUAFJYSNUNZSOW-VQIMIIECSA-N 2 2 340.467 3.362 10 0 EGAELP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000415075318 309118553 /nfs/dbraw/zinc/11/85/53/309118553.db2.gz BIHMTMHOUUYFSS-PXNSSMCTSA-N 3 2 326.488 3.332 10 0 EGAELP O=C([C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1)N1CCCCC1 ZINC000419301525 309263871 /nfs/dbraw/zinc/26/38/71/309263871.db2.gz LAQYQZLXDGYSBH-FQEVSTJZSA-N 2 2 348.450 3.178 10 0 EGAELP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)CCC2)c1 ZINC000420330688 309282483 /nfs/dbraw/zinc/28/24/83/309282483.db2.gz BEECNKSYAOSMFR-AZUAARDMSA-N 2 2 344.499 3.066 10 0 EGAELP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)CCC2)c1 ZINC000420330688 309282484 /nfs/dbraw/zinc/28/24/84/309282484.db2.gz BEECNKSYAOSMFR-AZUAARDMSA-N 2 2 344.499 3.066 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385124 309285700 /nfs/dbraw/zinc/28/57/00/309285700.db2.gz FFXNKDJDIZIHDX-HKUYNNGSSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385124 309285701 /nfs/dbraw/zinc/28/57/01/309285701.db2.gz FFXNKDJDIZIHDX-HKUYNNGSSA-N 2 2 329.488 3.213 10 0 EGAELP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1C ZINC000421358781 309320259 /nfs/dbraw/zinc/32/02/59/309320259.db2.gz USRDVVSLGGSAOB-CQSZACIVSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1C ZINC000421358781 309320260 /nfs/dbraw/zinc/32/02/60/309320260.db2.gz USRDVVSLGGSAOB-CQSZACIVSA-N 2 2 347.894 3.294 10 0 EGAELP c1ccc(C(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422749701 309366503 /nfs/dbraw/zinc/36/65/03/309366503.db2.gz ANVONZIINFXDEZ-YADHBBJMSA-N 2 2 336.479 3.175 10 0 EGAELP COc1cccc(-c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)cc2)c1 ZINC000422794301 309368595 /nfs/dbraw/zinc/36/85/95/309368595.db2.gz UBXBJJKNXMWKTM-OXQOHEQNSA-N 2 2 340.467 3.219 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CCO)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422806049 309369483 /nfs/dbraw/zinc/36/94/83/309369483.db2.gz HQZAIUBFIREHTG-OALUTQOASA-N 2 2 332.488 3.021 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422860613 309372330 /nfs/dbraw/zinc/37/23/30/309372330.db2.gz IJUZATQLJUBJFA-LNLFQRSKSA-N 2 2 332.488 3.031 10 0 EGAELP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422875251 309373258 /nfs/dbraw/zinc/37/32/58/309373258.db2.gz ORGJZWVOEXBCGU-YSSFQJQWSA-N 2 2 332.488 3.029 10 0 EGAELP CCc1nc(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cs1 ZINC000422905606 309375514 /nfs/dbraw/zinc/37/55/14/309375514.db2.gz SOKWAZQJJLKUGA-MJGOQNOKSA-N 2 2 345.512 3.340 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422937412 309377081 /nfs/dbraw/zinc/37/70/81/309377081.db2.gz CJJFIDMWHOEKJU-JTQLQIEISA-N 2 2 336.233 3.116 10 0 EGAELP CC(C)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043653 309382679 /nfs/dbraw/zinc/38/26/79/309382679.db2.gz PLWKRCPYMBTYIX-PMVJOBDPSA-N 2 2 349.469 3.361 10 0 EGAELP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043653 309382680 /nfs/dbraw/zinc/38/26/80/309382680.db2.gz PLWKRCPYMBTYIX-PMVJOBDPSA-N 2 2 349.469 3.361 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000423132527 309387733 /nfs/dbraw/zinc/38/77/33/309387733.db2.gz PLTQYGAWGUCASZ-DYEKYZERSA-N 2 2 341.297 3.201 10 0 EGAELP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423188048 309389738 /nfs/dbraw/zinc/38/97/38/309389738.db2.gz QBSHHLMUKZTVNX-FZHKGVQDSA-N 2 2 328.500 3.315 10 0 EGAELP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)nnn1-c1ccc(F)cc1 ZINC000423208088 309390462 /nfs/dbraw/zinc/39/04/62/309390462.db2.gz YUFQMIKHXGMHIY-AWEZNQCLSA-N 2 2 345.466 3.417 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)nnn1-c1ccc(F)cc1 ZINC000423208089 309390525 /nfs/dbraw/zinc/39/05/25/309390525.db2.gz YUFQMIKHXGMHIY-CQSZACIVSA-N 2 2 345.466 3.417 10 0 EGAELP FC(F)(F)[C@H]1CCC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000423236203 309391828 /nfs/dbraw/zinc/39/18/28/309391828.db2.gz RUKNKYZIPKIZBW-STQMWFEESA-N 2 2 328.382 3.024 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449028122 310030544 /nfs/dbraw/zinc/03/05/44/310030544.db2.gz KFEVMEFRAHFJOM-RDTXWAMCSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449028122 310030545 /nfs/dbraw/zinc/03/05/45/310030545.db2.gz KFEVMEFRAHFJOM-RDTXWAMCSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028122 310030546 /nfs/dbraw/zinc/03/05/46/310030546.db2.gz KFEVMEFRAHFJOM-RDTXWAMCSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028122 310030547 /nfs/dbraw/zinc/03/05/47/310030547.db2.gz KFEVMEFRAHFJOM-RDTXWAMCSA-N 2 2 330.451 3.141 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000449033440 310031380 /nfs/dbraw/zinc/03/13/80/310031380.db2.gz ZVUYFKGYDDJUNN-JXFKEZNVSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000449033440 310031381 /nfs/dbraw/zinc/03/13/81/310031381.db2.gz ZVUYFKGYDDJUNN-JXFKEZNVSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000449033440 310031382 /nfs/dbraw/zinc/03/13/82/310031382.db2.gz ZVUYFKGYDDJUNN-JXFKEZNVSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000449033440 310031383 /nfs/dbraw/zinc/03/13/83/310031383.db2.gz ZVUYFKGYDDJUNN-JXFKEZNVSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+](CC)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449222969 310045830 /nfs/dbraw/zinc/04/58/30/310045830.db2.gz XKOHSIBHTDHWKK-IBGZPJMESA-N 3 2 331.548 3.404 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398218 310058812 /nfs/dbraw/zinc/05/88/12/310058812.db2.gz TWUWDCXQGZCRFL-LJISPDSOSA-N 2 2 342.936 3.330 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449398218 310058813 /nfs/dbraw/zinc/05/88/13/310058813.db2.gz TWUWDCXQGZCRFL-LJISPDSOSA-N 2 2 342.936 3.330 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000449410135 310059423 /nfs/dbraw/zinc/05/94/23/310059423.db2.gz XTOJKYFRYXYQHD-UHFFFAOYSA-N 2 2 333.524 3.451 10 0 EGAELP CCN(CCOC)c1cccc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)[nH+]1 ZINC000450994946 310154144 /nfs/dbraw/zinc/15/41/44/310154144.db2.gz CRZMVIXKJPMYRK-HOTGVXAUSA-N 2 2 342.487 3.170 10 0 EGAELP C[N@H+](C[C@H](O)CC1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108389 310212570 /nfs/dbraw/zinc/21/25/70/310212570.db2.gz DNWSQTXMMFZZKK-MRXNPFEDSA-N 2 2 336.442 3.276 10 0 EGAELP C[N@@H+](C[C@H](O)CC1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108389 310212571 /nfs/dbraw/zinc/21/25/71/310212571.db2.gz DNWSQTXMMFZZKK-MRXNPFEDSA-N 2 2 336.442 3.276 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453089435 310257175 /nfs/dbraw/zinc/25/71/75/310257175.db2.gz NZXSVNVSIKPFBA-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453089435 310257176 /nfs/dbraw/zinc/25/71/76/310257176.db2.gz NZXSVNVSIKPFBA-ICSRJNTNSA-N 2 2 346.515 3.215 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000453232110 310265646 /nfs/dbraw/zinc/26/56/46/310265646.db2.gz JCGAFKIIEJYLAT-JCGIZDLHSA-N 3 2 344.890 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000453232110 310265647 /nfs/dbraw/zinc/26/56/47/310265647.db2.gz JCGAFKIIEJYLAT-JCGIZDLHSA-N 3 2 344.890 3.488 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453356070 310272787 /nfs/dbraw/zinc/27/27/87/310272787.db2.gz HSWKCISZDDKBJE-LDLYASANSA-N 2 2 337.467 3.375 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453356070 310272788 /nfs/dbraw/zinc/27/27/88/310272788.db2.gz HSWKCISZDDKBJE-LDLYASANSA-N 2 2 337.467 3.375 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000459782542 310575060 /nfs/dbraw/zinc/57/50/60/310575060.db2.gz ZHKGBHLFXVGNDK-DLBZAZTESA-N 2 2 326.488 3.166 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055337 311162321 /nfs/dbraw/zinc/16/23/21/311162321.db2.gz FVRDIQJBRLRASZ-QZTJIDSGSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055337 311162323 /nfs/dbraw/zinc/16/23/23/311162323.db2.gz FVRDIQJBRLRASZ-QZTJIDSGSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059353 311162837 /nfs/dbraw/zinc/16/28/37/311162837.db2.gz SNEUYKAXACEQLB-ROUUACIJSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059353 311162839 /nfs/dbraw/zinc/16/28/39/311162839.db2.gz SNEUYKAXACEQLB-ROUUACIJSA-N 2 2 337.552 3.268 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528430961 313091983 /nfs/dbraw/zinc/09/19/83/313091983.db2.gz YTMTUYQUWYGYRY-SCCNAQOGSA-N 2 2 339.483 3.298 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528430961 313091986 /nfs/dbraw/zinc/09/19/86/313091986.db2.gz YTMTUYQUWYGYRY-SCCNAQOGSA-N 2 2 339.483 3.298 10 0 EGAELP Cc1n[nH]cc1C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000551827521 315171002 /nfs/dbraw/zinc/17/10/02/315171002.db2.gz USNMYIFZRDRMEU-UHFFFAOYSA-N 2 2 327.457 3.345 10 0 EGAELP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)c(F)c1 ZINC000564434006 316151885 /nfs/dbraw/zinc/15/18/85/316151885.db2.gz LOSZJTFRNWULAM-KUHUBIRLSA-N 2 2 340.377 3.319 10 0 EGAELP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000564434006 316151886 /nfs/dbraw/zinc/15/18/86/316151886.db2.gz LOSZJTFRNWULAM-KUHUBIRLSA-N 2 2 340.377 3.319 10 0 EGAELP Cn1cc([C@@H]([NH2+]CC2([NH3+])CCCCCC2)c2cccc(F)c2)cn1 ZINC000564822912 316212172 /nfs/dbraw/zinc/21/21/72/316212172.db2.gz USUJHAWVXLRYPQ-SFHVURJKSA-N 2 2 330.451 3.290 10 0 EGAELP COC(=O)c1occc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000182477302 323553942 /nfs/dbraw/zinc/55/39/42/323553942.db2.gz AYVYFYRJFCKXKJ-ZDUSSCGKSA-N 2 2 325.368 3.103 10 0 EGAELP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000350597512 324101685 /nfs/dbraw/zinc/10/16/85/324101685.db2.gz BHQNSEAZPZVXGB-GJZGRUSLSA-N 2 2 337.427 3.354 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582944957 325482298 /nfs/dbraw/zinc/48/22/98/325482298.db2.gz YOKJQEQPNMDRAO-FUHWJXTLSA-N 2 2 339.487 3.100 10 0 EGAELP CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655673 455219478 /nfs/dbraw/zinc/21/94/78/455219478.db2.gz ULYKGGWXNGANCC-AEFFLSMTSA-N 2 2 340.471 3.314 10 0 EGAELP CC(C)N(C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000180655713 455219761 /nfs/dbraw/zinc/21/97/61/455219761.db2.gz PUBGWICNSHHGOD-MRXNPFEDSA-N 2 2 328.460 3.168 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445405 460555204 /nfs/dbraw/zinc/55/52/04/460555204.db2.gz PQIVNCRWNBFWQW-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623445405 460555209 /nfs/dbraw/zinc/55/52/09/460555209.db2.gz PQIVNCRWNBFWQW-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP CCn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2c1cccc2F ZINC000265446608 455326755 /nfs/dbraw/zinc/32/67/55/455326755.db2.gz BAJRHWLWMOMMOE-UHFFFAOYSA-N 2 2 327.407 3.298 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496076 460581365 /nfs/dbraw/zinc/58/13/65/460581365.db2.gz GERIVINULQAQKB-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496076 460581370 /nfs/dbraw/zinc/58/13/70/460581370.db2.gz GERIVINULQAQKB-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631888902 460589745 /nfs/dbraw/zinc/58/97/45/460589745.db2.gz CWNYMSPTOIFQRH-QAPCUYQASA-N 2 2 343.496 3.393 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631888902 460589749 /nfs/dbraw/zinc/58/97/49/460589749.db2.gz CWNYMSPTOIFQRH-QAPCUYQASA-N 2 2 343.496 3.393 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182119592 455439572 /nfs/dbraw/zinc/43/95/72/455439572.db2.gz GEBIHVWGXSURTG-KDOFPFPSSA-N 2 2 330.863 3.130 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182119592 455439578 /nfs/dbraw/zinc/43/95/78/455439578.db2.gz GEBIHVWGXSURTG-KDOFPFPSSA-N 2 2 330.863 3.130 10 0 EGAELP c1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]nc1-c1ccccc1 ZINC000092812990 454638712 /nfs/dbraw/zinc/63/87/12/454638712.db2.gz IUPBHUCYTOCFPT-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP c1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]nc1-c1ccccc1 ZINC000092812990 454638717 /nfs/dbraw/zinc/63/87/17/454638717.db2.gz IUPBHUCYTOCFPT-INIZCTEOSA-N 2 2 333.439 3.406 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000105896451 454666774 /nfs/dbraw/zinc/66/67/74/454666774.db2.gz PJCXPMMSLNYGNF-KRWDZBQOSA-N 2 2 326.444 3.030 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000105896451 454666782 /nfs/dbraw/zinc/66/67/82/454666782.db2.gz PJCXPMMSLNYGNF-KRWDZBQOSA-N 2 2 326.444 3.030 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000081094834 454685729 /nfs/dbraw/zinc/68/57/29/454685729.db2.gz IWEHCHVVYYTSLO-HBFSDRIKSA-N 2 2 345.531 3.143 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000081094834 454685735 /nfs/dbraw/zinc/68/57/35/454685735.db2.gz IWEHCHVVYYTSLO-HBFSDRIKSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000081094834 454685738 /nfs/dbraw/zinc/68/57/38/454685738.db2.gz IWEHCHVVYYTSLO-HBFSDRIKSA-N 2 2 345.531 3.143 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000081094834 454685742 /nfs/dbraw/zinc/68/57/42/454685742.db2.gz IWEHCHVVYYTSLO-HBFSDRIKSA-N 2 2 345.531 3.143 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000106212008 454685750 /nfs/dbraw/zinc/68/57/50/454685750.db2.gz LYDGMHUCAOETEJ-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000106212008 454685755 /nfs/dbraw/zinc/68/57/55/454685755.db2.gz LYDGMHUCAOETEJ-LJQANCHMSA-N 2 2 335.455 3.468 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464596 454798354 /nfs/dbraw/zinc/79/83/54/454798354.db2.gz VZIMUWYGJRWEGM-YESZJQIVSA-N 2 2 346.425 3.278 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464596 454798355 /nfs/dbraw/zinc/79/83/55/454798355.db2.gz VZIMUWYGJRWEGM-YESZJQIVSA-N 2 2 346.425 3.278 10 0 EGAELP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107978 454824327 /nfs/dbraw/zinc/82/43/27/454824327.db2.gz ADZQFMNDNRLJEW-LPHOPBHVSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107978 454824330 /nfs/dbraw/zinc/82/43/30/454824330.db2.gz ADZQFMNDNRLJEW-LPHOPBHVSA-N 2 2 334.423 3.229 10 0 EGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138565 454826014 /nfs/dbraw/zinc/82/60/14/454826014.db2.gz CXJVQFQRAOXMEG-ZDUSSCGKSA-N 2 2 330.398 3.092 10 0 EGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138565 454826019 /nfs/dbraw/zinc/82/60/19/454826019.db2.gz CXJVQFQRAOXMEG-ZDUSSCGKSA-N 2 2 330.398 3.092 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000163308455 454838830 /nfs/dbraw/zinc/83/88/30/454838830.db2.gz FDTHCFYWXZYUDT-KGLIPLIRSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000163308455 454838831 /nfs/dbraw/zinc/83/88/31/454838831.db2.gz FDTHCFYWXZYUDT-KGLIPLIRSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000163353326 454842126 /nfs/dbraw/zinc/84/21/26/454842126.db2.gz HIUIAYHRDGKMDM-HIFRSBDPSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000163353326 454842128 /nfs/dbraw/zinc/84/21/28/454842128.db2.gz HIUIAYHRDGKMDM-HIFRSBDPSA-N 2 2 328.403 3.049 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000154396141 454892583 /nfs/dbraw/zinc/89/25/83/454892583.db2.gz AAVDIFNFYMEYPI-LJQANCHMSA-N 2 2 331.435 3.493 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000154396141 454892588 /nfs/dbraw/zinc/89/25/88/454892588.db2.gz AAVDIFNFYMEYPI-LJQANCHMSA-N 2 2 331.435 3.493 10 0 EGAELP CCCCCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154457193 454899015 /nfs/dbraw/zinc/89/90/15/454899015.db2.gz QIOFQHPBDOJBBT-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154457193 454899019 /nfs/dbraw/zinc/89/90/19/454899019.db2.gz QIOFQHPBDOJBBT-GURQWTFNSA-N 2 2 349.563 3.362 10 0 EGAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc(C)c1O ZINC000191576228 455499071 /nfs/dbraw/zinc/49/90/71/455499071.db2.gz PKNIJWXHWKFQKV-UHFFFAOYSA-N 2 2 339.483 3.201 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415188 455165815 /nfs/dbraw/zinc/16/58/15/455165815.db2.gz RFCXGZNWEKWERE-HIFRSBDPSA-N 2 2 332.517 3.435 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415188 455165816 /nfs/dbraw/zinc/16/58/16/455165816.db2.gz RFCXGZNWEKWERE-HIFRSBDPSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415188 455165817 /nfs/dbraw/zinc/16/58/17/455165817.db2.gz RFCXGZNWEKWERE-HIFRSBDPSA-N 2 2 332.517 3.435 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)[C@H](C)C1 ZINC000180415188 455165818 /nfs/dbraw/zinc/16/58/18/455165818.db2.gz RFCXGZNWEKWERE-HIFRSBDPSA-N 2 2 332.517 3.435 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000157286926 455180360 /nfs/dbraw/zinc/18/03/60/455180360.db2.gz REGPDXTZFDMKGD-SFHVURJKSA-N 2 2 340.471 3.495 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000157286926 455180362 /nfs/dbraw/zinc/18/03/62/455180362.db2.gz REGPDXTZFDMKGD-SFHVURJKSA-N 2 2 340.471 3.495 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000180614106 455208877 /nfs/dbraw/zinc/20/88/77/455208877.db2.gz WVYFZXGYJVVRRO-HNNXBMFYSA-N 2 2 341.484 3.443 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000180614106 455208881 /nfs/dbraw/zinc/20/88/81/455208881.db2.gz WVYFZXGYJVVRRO-HNNXBMFYSA-N 2 2 341.484 3.443 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000181281438 455312109 /nfs/dbraw/zinc/31/21/09/455312109.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC[N@H+]2C2CC2)c1 ZINC000181281438 455312111 /nfs/dbraw/zinc/31/21/11/455312111.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281438 455312115 /nfs/dbraw/zinc/31/21/15/455312115.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC[NH+]2C2CC2)c1 ZINC000181281438 455312120 /nfs/dbraw/zinc/31/21/20/455312120.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281438 455312124 /nfs/dbraw/zinc/31/21/24/455312124.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281438 455312128 /nfs/dbraw/zinc/31/21/28/455312128.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 2 2 343.515 3.045 10 0 EGAELP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471919 455326146 /nfs/dbraw/zinc/32/61/46/455326146.db2.gz WBWQYAPCYXEMEA-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471919 455326148 /nfs/dbraw/zinc/32/61/48/455326148.db2.gz WBWQYAPCYXEMEA-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471919 455326149 /nfs/dbraw/zinc/32/61/49/455326149.db2.gz WBWQYAPCYXEMEA-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471919 455326150 /nfs/dbraw/zinc/32/61/50/455326150.db2.gz WBWQYAPCYXEMEA-FQEVSTJZSA-N 2 2 339.483 3.434 10 0 EGAELP COc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000265556855 455342292 /nfs/dbraw/zinc/34/22/92/455342292.db2.gz ZTRXKYRYLZSHEP-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP c1cn(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867465 455388678 /nfs/dbraw/zinc/38/86/78/455388678.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867465 455388683 /nfs/dbraw/zinc/38/86/83/455388683.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867465 455388687 /nfs/dbraw/zinc/38/86/87/455388687.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 3 2 338.499 3.260 10 0 EGAELP c1cn(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245867465 455388691 /nfs/dbraw/zinc/38/86/91/455388691.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 3 2 338.499 3.260 10 0 EGAELP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068138 455436308 /nfs/dbraw/zinc/43/63/08/455436308.db2.gz QDJDGJMUERACSO-UYAOXDASSA-N 2 2 330.520 3.272 10 0 EGAELP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000191068138 455436313 /nfs/dbraw/zinc/43/63/13/455436313.db2.gz QDJDGJMUERACSO-UYAOXDASSA-N 2 2 330.520 3.272 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191139507 455450432 /nfs/dbraw/zinc/45/04/32/455450432.db2.gz FQPAGFQCHQAEBS-OWCLPIDISA-N 2 2 336.524 3.096 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885118 455468592 /nfs/dbraw/zinc/46/85/92/455468592.db2.gz ZWANVPKOYYGIFJ-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885118 455468599 /nfs/dbraw/zinc/46/85/99/455468599.db2.gz ZWANVPKOYYGIFJ-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885118 455468600 /nfs/dbraw/zinc/46/86/00/455468600.db2.gz ZWANVPKOYYGIFJ-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885118 455468604 /nfs/dbraw/zinc/46/86/04/455468604.db2.gz ZWANVPKOYYGIFJ-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000246325274 455471206 /nfs/dbraw/zinc/47/12/06/455471206.db2.gz FRZFTCVTGIEWGW-DQLDELGASA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000246325274 455471210 /nfs/dbraw/zinc/47/12/10/455471210.db2.gz FRZFTCVTGIEWGW-DQLDELGASA-N 2 2 347.466 3.363 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427580 455488480 /nfs/dbraw/zinc/48/84/80/455488480.db2.gz CIXMGQZWIATCRR-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427580 455488486 /nfs/dbraw/zinc/48/84/86/455488486.db2.gz CIXMGQZWIATCRR-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427580 455488488 /nfs/dbraw/zinc/48/84/88/455488488.db2.gz CIXMGQZWIATCRR-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246427580 455488491 /nfs/dbraw/zinc/48/84/91/455488491.db2.gz CIXMGQZWIATCRR-QFBILLFUSA-N 2 2 331.504 3.411 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000247052014 455551884 /nfs/dbraw/zinc/55/18/84/455551884.db2.gz NNYFLHXLMKGJTN-ZBFHGGJFSA-N 2 2 344.434 3.131 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000247160890 455568234 /nfs/dbraw/zinc/56/82/34/455568234.db2.gz UDTBMRJBOLQPBG-UKRRQHHQSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000247160890 455568235 /nfs/dbraw/zinc/56/82/35/455568235.db2.gz UDTBMRJBOLQPBG-UKRRQHHQSA-N 2 2 347.894 3.222 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187082 455569982 /nfs/dbraw/zinc/56/99/82/455569982.db2.gz VEADDVYTQXEGII-PKOBYXMFSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187082 455569985 /nfs/dbraw/zinc/56/99/85/455569985.db2.gz VEADDVYTQXEGII-PKOBYXMFSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187082 455569990 /nfs/dbraw/zinc/56/99/90/455569990.db2.gz VEADDVYTQXEGII-PKOBYXMFSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187082 455569993 /nfs/dbraw/zinc/56/99/93/455569993.db2.gz VEADDVYTQXEGII-PKOBYXMFSA-N 2 2 345.531 3.276 10 0 EGAELP Cc1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)n1 ZINC000185645602 455589401 /nfs/dbraw/zinc/58/94/01/455589401.db2.gz KDDBGBMTFGNCFC-CQSZACIVSA-N 2 2 337.427 3.118 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000249916030 455782477 /nfs/dbraw/zinc/78/24/77/455782477.db2.gz XIZXJXZMZYMTHI-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000249916030 455782482 /nfs/dbraw/zinc/78/24/82/455782482.db2.gz XIZXJXZMZYMTHI-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP Cc1c[nH]c(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000623731245 460695496 /nfs/dbraw/zinc/69/54/96/460695496.db2.gz PGQQBYGPGKWJDP-CQSZACIVSA-N 2 2 327.259 3.417 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000253430169 455847694 /nfs/dbraw/zinc/84/76/94/455847694.db2.gz XDMYIAYJARPUNM-OXJNMPFZSA-N 2 2 341.503 3.168 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000253430169 455847700 /nfs/dbraw/zinc/84/77/00/455847700.db2.gz XDMYIAYJARPUNM-OXJNMPFZSA-N 2 2 341.503 3.168 10 0 EGAELP FC1(F)CC(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000295699886 455857897 /nfs/dbraw/zinc/85/78/97/455857897.db2.gz FDRNTIRNBATEHZ-HNNXBMFYSA-N 2 2 337.414 3.180 10 0 EGAELP FC1(F)CC(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000295699886 455857901 /nfs/dbraw/zinc/85/79/01/455857901.db2.gz FDRNTIRNBATEHZ-HNNXBMFYSA-N 2 2 337.414 3.180 10 0 EGAELP c1c[nH]c([C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CCCCC2)n1 ZINC000285522236 455862611 /nfs/dbraw/zinc/86/26/11/455862611.db2.gz FAJKFENMASBGFI-KRWDZBQOSA-N 2 2 336.443 3.402 10 0 EGAELP Cc1cn2cc(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)ccc2[nH+]1 ZINC000606570340 460697778 /nfs/dbraw/zinc/69/77/78/460697778.db2.gz MMJMYLSYTPSJRP-UHFFFAOYSA-N 2 2 343.475 3.227 10 0 EGAELP Cc1cn2cc(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)ccc2[nH+]1 ZINC000606570340 460697783 /nfs/dbraw/zinc/69/77/83/460697783.db2.gz MMJMYLSYTPSJRP-UHFFFAOYSA-N 2 2 343.475 3.227 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000280094807 455889889 /nfs/dbraw/zinc/88/98/89/455889889.db2.gz AYQYNQNXDVBKEP-FXAWDEMLSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000280094807 455889891 /nfs/dbraw/zinc/88/98/91/455889891.db2.gz AYQYNQNXDVBKEP-FXAWDEMLSA-N 2 2 335.455 3.460 10 0 EGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261561599 455908745 /nfs/dbraw/zinc/90/87/45/455908745.db2.gz FZTNYRNJAQEFJK-FXAWDEMLSA-N 2 2 340.467 3.122 10 0 EGAELP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582287 460700707 /nfs/dbraw/zinc/70/07/07/460700707.db2.gz JDNGAQSRVYJYPP-SFHVURJKSA-N 2 2 349.438 3.120 10 0 EGAELP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000606582287 460700713 /nfs/dbraw/zinc/70/07/13/460700713.db2.gz JDNGAQSRVYJYPP-SFHVURJKSA-N 2 2 349.438 3.120 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000617007057 460702719 /nfs/dbraw/zinc/70/27/19/460702719.db2.gz KVJFPQUUONEUHW-HNNXBMFYSA-N 2 2 339.439 3.477 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000617007057 460702723 /nfs/dbraw/zinc/70/27/23/460702723.db2.gz KVJFPQUUONEUHW-HNNXBMFYSA-N 2 2 339.439 3.477 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515693 455974476 /nfs/dbraw/zinc/97/44/76/455974476.db2.gz BICSRVJNFAZARC-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515693 455974484 /nfs/dbraw/zinc/97/44/84/455974484.db2.gz BICSRVJNFAZARC-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000195515932 455975585 /nfs/dbraw/zinc/97/55/85/455975585.db2.gz XIZXJXZMZYMTHI-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000195515932 455975593 /nfs/dbraw/zinc/97/55/93/455975593.db2.gz XIZXJXZMZYMTHI-PBHICJAKSA-N 2 2 331.847 3.202 10 0 EGAELP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000262085275 455994841 /nfs/dbraw/zinc/99/48/41/455994841.db2.gz UFWKJIOEDQJYLW-AWEZNQCLSA-N 2 2 334.423 3.315 10 0 EGAELP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000262085275 455994843 /nfs/dbraw/zinc/99/48/43/455994843.db2.gz UFWKJIOEDQJYLW-AWEZNQCLSA-N 2 2 334.423 3.315 10 0 EGAELP COc1ccc([C@@H]2[C@@H](CNc3cc(C)[nH+]cn3)CCC[N@@H+]2C)cc1 ZINC000301292418 456083306 /nfs/dbraw/zinc/08/33/06/456083306.db2.gz NYHFIFLWKLCYNP-VQIMIIECSA-N 2 2 326.444 3.289 10 0 EGAELP COc1ccc([C@@H]2[C@@H](CNc3cc(C)[nH+]cn3)CCC[N@H+]2C)cc1 ZINC000301292418 456083313 /nfs/dbraw/zinc/08/33/13/456083313.db2.gz NYHFIFLWKLCYNP-VQIMIIECSA-N 2 2 326.444 3.289 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189196984 456252594 /nfs/dbraw/zinc/25/25/94/456252594.db2.gz MGYZPCSLNLWOBZ-QAPCUYQASA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189196984 456252601 /nfs/dbraw/zinc/25/26/01/456252601.db2.gz MGYZPCSLNLWOBZ-QAPCUYQASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189196984 456252606 /nfs/dbraw/zinc/25/26/06/456252606.db2.gz MGYZPCSLNLWOBZ-QAPCUYQASA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@H](C)C1 ZINC000189196984 456252609 /nfs/dbraw/zinc/25/26/09/456252609.db2.gz MGYZPCSLNLWOBZ-QAPCUYQASA-N 2 2 330.451 3.174 10 0 EGAELP CCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956901 456371893 /nfs/dbraw/zinc/37/18/93/456371893.db2.gz FWBNCTVDBIBQND-KBPBESRZSA-N 2 2 329.448 3.105 10 0 EGAELP CCc1noc([C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956901 456371894 /nfs/dbraw/zinc/37/18/94/456371894.db2.gz FWBNCTVDBIBQND-KBPBESRZSA-N 2 2 329.448 3.105 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054217 456512039 /nfs/dbraw/zinc/51/20/39/456512039.db2.gz CJVXXKGRESCLRC-APHBMKBZSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054217 456512043 /nfs/dbraw/zinc/51/20/43/456512043.db2.gz CJVXXKGRESCLRC-APHBMKBZSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054217 456512047 /nfs/dbraw/zinc/51/20/47/456512047.db2.gz CJVXXKGRESCLRC-APHBMKBZSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054217 456512051 /nfs/dbraw/zinc/51/20/51/456512051.db2.gz CJVXXKGRESCLRC-APHBMKBZSA-N 2 2 330.394 3.153 10 0 EGAELP COC(=O)C[C@](C)([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000353158492 456529671 /nfs/dbraw/zinc/52/96/71/456529671.db2.gz ZFRJGKYXICFPFF-IBGZPJMESA-N 2 2 336.451 3.070 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000340586335 456549317 /nfs/dbraw/zinc/54/93/17/456549317.db2.gz SDBNLJHFYXZYIZ-CABCVRRESA-N 2 2 327.819 3.469 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000340586335 456549324 /nfs/dbraw/zinc/54/93/24/456549324.db2.gz SDBNLJHFYXZYIZ-CABCVRRESA-N 2 2 327.819 3.469 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203944 456557427 /nfs/dbraw/zinc/55/74/27/456557427.db2.gz CEYUEFWIJLWLMP-ABAIWWIYSA-N 2 2 336.277 3.013 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000353203944 456557431 /nfs/dbraw/zinc/55/74/31/456557431.db2.gz CEYUEFWIJLWLMP-ABAIWWIYSA-N 2 2 336.277 3.013 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889463 456610834 /nfs/dbraw/zinc/61/08/34/456610834.db2.gz HLYVSJINABGWOQ-DLBZAZTESA-N 2 2 337.533 3.122 10 0 EGAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889463 456610835 /nfs/dbraw/zinc/61/08/35/456610835.db2.gz HLYVSJINABGWOQ-DLBZAZTESA-N 2 2 337.533 3.122 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000337948347 456618255 /nfs/dbraw/zinc/61/82/55/456618255.db2.gz BYBWPLQMAIJTPY-HZPDHXFCSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000337948347 456618260 /nfs/dbraw/zinc/61/82/60/456618260.db2.gz BYBWPLQMAIJTPY-HZPDHXFCSA-N 2 2 339.439 3.429 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321004169 456634387 /nfs/dbraw/zinc/63/43/87/456634387.db2.gz OFWNYEVRJXVORS-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321004169 456634395 /nfs/dbraw/zinc/63/43/95/456634395.db2.gz OFWNYEVRJXVORS-PBHICJAKSA-N 2 2 335.879 3.051 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c(F)c1 ZINC000276971372 456637180 /nfs/dbraw/zinc/63/71/80/456637180.db2.gz YDIPPTQUUHISNP-UHFFFAOYSA-N 2 2 343.381 3.253 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000338007411 456653203 /nfs/dbraw/zinc/65/32/03/456653203.db2.gz MDODONFXDLTBJG-QHAWAJNXSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000338007411 456653208 /nfs/dbraw/zinc/65/32/08/456653208.db2.gz MDODONFXDLTBJG-QHAWAJNXSA-N 2 2 328.500 3.446 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343507442 456667063 /nfs/dbraw/zinc/66/70/63/456667063.db2.gz XZXOZNRWPQIMSS-CEXWTWQISA-N 2 2 331.504 3.117 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343507442 456667065 /nfs/dbraw/zinc/66/70/65/456667065.db2.gz XZXOZNRWPQIMSS-CEXWTWQISA-N 2 2 331.504 3.117 10 0 EGAELP COC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611958 456803302 /nfs/dbraw/zinc/80/33/02/456803302.db2.gz PTRQWPZVPZYOJC-BBRMVZONSA-N 2 2 339.361 3.263 10 0 EGAELP COC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611958 456803305 /nfs/dbraw/zinc/80/33/05/456803305.db2.gz PTRQWPZVPZYOJC-BBRMVZONSA-N 2 2 339.361 3.263 10 0 EGAELP COC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611961 456803767 /nfs/dbraw/zinc/80/37/67/456803767.db2.gz PTRQWPZVPZYOJC-CZUORRHYSA-N 2 2 339.361 3.263 10 0 EGAELP COC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000353611961 456803770 /nfs/dbraw/zinc/80/37/70/456803770.db2.gz PTRQWPZVPZYOJC-CZUORRHYSA-N 2 2 339.361 3.263 10 0 EGAELP C[NH+](C)CCN(Cc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000349293897 456934778 /nfs/dbraw/zinc/93/47/78/456934778.db2.gz GTXNUJXWQQPZGI-UHFFFAOYSA-N 2 2 330.457 3.091 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339137269 456959121 /nfs/dbraw/zinc/95/91/21/456959121.db2.gz PVSSISSJLDQFKW-ZDUSSCGKSA-N 2 2 341.846 3.495 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCCC1 ZINC000353973447 456985213 /nfs/dbraw/zinc/98/52/13/456985213.db2.gz PZMOZZQUAJCDNR-UXDRXVOSSA-N 2 2 335.536 3.019 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCCC1 ZINC000353973447 456985214 /nfs/dbraw/zinc/98/52/14/456985214.db2.gz PZMOZZQUAJCDNR-UXDRXVOSSA-N 2 2 335.536 3.019 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000349601168 456994156 /nfs/dbraw/zinc/99/41/56/456994156.db2.gz RQPMAWCZUXDQFI-DYESRHJHSA-N 2 2 349.482 3.357 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661587 457198115 /nfs/dbraw/zinc/19/81/15/457198115.db2.gz PVOLUZOJKICSGW-INIZCTEOSA-N 2 2 342.487 3.114 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661587 457198123 /nfs/dbraw/zinc/19/81/23/457198123.db2.gz PVOLUZOJKICSGW-INIZCTEOSA-N 2 2 342.487 3.114 10 0 EGAELP COc1ccccc1N1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000354398198 457199145 /nfs/dbraw/zinc/19/91/45/457199145.db2.gz FVPZQEVYWKYUKX-GOSISDBHSA-N 2 2 325.456 3.200 10 0 EGAELP COCc1noc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000342413764 457290291 /nfs/dbraw/zinc/29/02/91/457290291.db2.gz BDCCYJWZULNNAF-HNNXBMFYSA-N 2 2 344.459 3.053 10 0 EGAELP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccc(Cl)cc1 ZINC000363451329 457333515 /nfs/dbraw/zinc/33/35/15/457333515.db2.gz YDFPJZGIPCQNQV-KRWDZBQOSA-N 2 2 344.846 3.048 10 0 EGAELP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2cccs2)n1 ZINC000342619836 457407308 /nfs/dbraw/zinc/40/73/08/457407308.db2.gz VAODBXHPKSAVQL-UHFFFAOYSA-N 2 2 327.457 3.251 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000361023769 457520025 /nfs/dbraw/zinc/52/00/25/457520025.db2.gz ORYIYNBCAVYOAD-UONOGXRCSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000361023769 457520033 /nfs/dbraw/zinc/52/00/33/457520033.db2.gz ORYIYNBCAVYOAD-UONOGXRCSA-N 2 2 346.393 3.347 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201646 457520898 /nfs/dbraw/zinc/52/08/98/457520898.db2.gz WPCJQMDBUPVTPS-LBPRGKRZSA-N 2 2 332.835 3.270 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820677 457540133 /nfs/dbraw/zinc/54/01/33/457540133.db2.gz KEMDCULNVOSIHK-QAPCUYQASA-N 2 2 348.853 3.360 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820677 457540136 /nfs/dbraw/zinc/54/01/36/457540136.db2.gz KEMDCULNVOSIHK-QAPCUYQASA-N 2 2 348.853 3.360 10 0 EGAELP Cn1cc(-c2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)s2)cn1 ZINC000374899683 457730656 /nfs/dbraw/zinc/73/06/56/457730656.db2.gz DWPHIQQRVKKZBF-UHFFFAOYSA-N 2 2 327.457 3.251 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077699 457752605 /nfs/dbraw/zinc/75/26/05/457752605.db2.gz SNBLOKMSKGSSNU-IEBWSBKVSA-N 2 2 328.500 3.039 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077699 457752611 /nfs/dbraw/zinc/75/26/11/457752611.db2.gz SNBLOKMSKGSSNU-IEBWSBKVSA-N 2 2 328.500 3.039 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358244064 457882955 /nfs/dbraw/zinc/88/29/55/457882955.db2.gz VRZQCECRFBIEQY-QGZVFWFLSA-N 2 2 348.487 3.023 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358244064 457882960 /nfs/dbraw/zinc/88/29/60/457882960.db2.gz VRZQCECRFBIEQY-QGZVFWFLSA-N 2 2 348.487 3.023 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292366 457915443 /nfs/dbraw/zinc/91/54/43/457915443.db2.gz VQAFYNXCIXRQRR-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292366 457915449 /nfs/dbraw/zinc/91/54/49/457915449.db2.gz VQAFYNXCIXRQRR-KUHUBIRLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292361 457915781 /nfs/dbraw/zinc/91/57/81/457915781.db2.gz VQAFYNXCIXRQRR-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000358292361 457915784 /nfs/dbraw/zinc/91/57/84/457915784.db2.gz VQAFYNXCIXRQRR-IFXJQAMLSA-N 2 2 341.430 3.118 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361863247 457915807 /nfs/dbraw/zinc/91/58/07/457915807.db2.gz UPDSQXJZFDGKEK-RTBURBONSA-N 2 2 325.456 3.429 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361863247 457915811 /nfs/dbraw/zinc/91/58/11/457915811.db2.gz UPDSQXJZFDGKEK-RTBURBONSA-N 2 2 325.456 3.429 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701731 457954526 /nfs/dbraw/zinc/95/45/26/457954526.db2.gz YHVFOQNOSUMKTI-PZJWPPBQSA-N 2 2 343.515 3.108 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701731 457954535 /nfs/dbraw/zinc/95/45/35/457954535.db2.gz YHVFOQNOSUMKTI-PZJWPPBQSA-N 2 2 343.515 3.108 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000368100854 458009061 /nfs/dbraw/zinc/00/90/61/458009061.db2.gz INYJAUYWGOLNHU-SMDDNHRTSA-N 2 2 337.345 3.443 10 0 EGAELP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000368100854 458009070 /nfs/dbraw/zinc/00/90/70/458009070.db2.gz INYJAUYWGOLNHU-SMDDNHRTSA-N 2 2 337.345 3.443 10 0 EGAELP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375725732 458039715 /nfs/dbraw/zinc/03/97/15/458039715.db2.gz DXBVAXOMLBBAMN-QGZVFWFLSA-N 2 2 342.405 3.391 10 0 EGAELP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375725732 458039722 /nfs/dbraw/zinc/03/97/22/458039722.db2.gz DXBVAXOMLBBAMN-QGZVFWFLSA-N 2 2 342.405 3.391 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000445817952 458093546 /nfs/dbraw/zinc/09/35/46/458093546.db2.gz HVFJEYWKABIUSK-IEBWSBKVSA-N 2 2 326.488 3.236 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000445817952 458093549 /nfs/dbraw/zinc/09/35/49/458093549.db2.gz HVFJEYWKABIUSK-IEBWSBKVSA-N 2 2 326.488 3.236 10 0 EGAELP CCC[NH+]1CCC(N(C)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445821465 458094969 /nfs/dbraw/zinc/09/49/69/458094969.db2.gz YQXFDNMTAGYSGC-UHFFFAOYSA-N 2 2 326.488 3.238 10 0 EGAELP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCCC1 ZINC000446754906 458226012 /nfs/dbraw/zinc/22/60/12/458226012.db2.gz YQFYUYKHEFRNEE-GOSISDBHSA-N 2 2 330.451 3.492 10 0 EGAELP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCCC1 ZINC000446754906 458226017 /nfs/dbraw/zinc/22/60/17/458226017.db2.gz YQFYUYKHEFRNEE-GOSISDBHSA-N 2 2 330.451 3.492 10 0 EGAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975343 458243558 /nfs/dbraw/zinc/24/35/58/458243558.db2.gz HUEAJWMITWSLDH-GHTZIAJQSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975343 458243563 /nfs/dbraw/zinc/24/35/63/458243563.db2.gz HUEAJWMITWSLDH-GHTZIAJQSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975343 458243566 /nfs/dbraw/zinc/24/35/66/458243566.db2.gz HUEAJWMITWSLDH-GHTZIAJQSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975343 458243567 /nfs/dbraw/zinc/24/35/67/458243567.db2.gz HUEAJWMITWSLDH-GHTZIAJQSA-N 2 2 336.483 3.444 10 0 EGAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277573 458261290 /nfs/dbraw/zinc/26/12/90/458261290.db2.gz JIVZANKQHWKOOC-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372277573 458261294 /nfs/dbraw/zinc/26/12/94/458261294.db2.gz JIVZANKQHWKOOC-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277573 458261299 /nfs/dbraw/zinc/26/12/99/458261299.db2.gz JIVZANKQHWKOOC-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372277573 458261306 /nfs/dbraw/zinc/26/13/06/458261306.db2.gz JIVZANKQHWKOOC-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2scnc2C2CC2)cc1 ZINC000414889279 458326581 /nfs/dbraw/zinc/32/65/81/458326581.db2.gz SIENVPKRPLPOGU-IRXDYDNUSA-N 2 2 343.496 3.264 10 0 EGAELP Cc1cc(Br)cc2c1C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000459390116 458356170 /nfs/dbraw/zinc/35/61/70/458356170.db2.gz RZKXMUCNAFTTJF-UHFFFAOYSA-N 2 2 334.261 3.092 10 0 EGAELP Cc1cc(Br)cc2c1C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000459390116 458356166 /nfs/dbraw/zinc/35/61/66/458356166.db2.gz RZKXMUCNAFTTJF-UHFFFAOYSA-N 2 2 334.261 3.092 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@@H](C)O2 ZINC000430767754 458489594 /nfs/dbraw/zinc/48/95/94/458489594.db2.gz NOZUYUTWPZGYHU-IIDMSEBBSA-N 2 2 347.484 3.092 10 0 EGAELP C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C[C@@H](C)O2 ZINC000430767754 458489601 /nfs/dbraw/zinc/48/96/01/458489601.db2.gz NOZUYUTWPZGYHU-IIDMSEBBSA-N 2 2 347.484 3.092 10 0 EGAELP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000424199248 458583153 /nfs/dbraw/zinc/58/31/53/458583153.db2.gz QIFJQGFEHLIFPM-PMACEKPBSA-N 2 2 325.431 3.273 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236140 458726210 /nfs/dbraw/zinc/72/62/10/458726210.db2.gz LAZSZRZRXNASCG-OALUTQOASA-N 2 2 336.907 3.240 10 0 EGAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236140 458726218 /nfs/dbraw/zinc/72/62/18/458726218.db2.gz LAZSZRZRXNASCG-OALUTQOASA-N 2 2 336.907 3.240 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000474800943 458902407 /nfs/dbraw/zinc/90/24/07/458902407.db2.gz WADPVEUIFNPFEM-WOJBJXKFSA-N 2 2 334.479 3.246 10 0 EGAELP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000474800940 458902479 /nfs/dbraw/zinc/90/24/79/458902479.db2.gz WADPVEUIFNPFEM-UXHICEINSA-N 2 2 334.479 3.246 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200822 459045604 /nfs/dbraw/zinc/04/56/04/459045604.db2.gz CEQJZAFNBIRDLB-LAUBAEHRSA-N 2 2 335.495 3.289 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200822 459045607 /nfs/dbraw/zinc/04/56/07/459045607.db2.gz CEQJZAFNBIRDLB-LAUBAEHRSA-N 2 2 335.495 3.289 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(OC(F)F)c1 ZINC000532246491 459053373 /nfs/dbraw/zinc/05/33/73/459053373.db2.gz PDWPATSFVCVUHK-SWLSCSKDSA-N 2 2 328.403 3.117 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(OC(F)F)c1 ZINC000532246491 459053377 /nfs/dbraw/zinc/05/33/77/459053377.db2.gz PDWPATSFVCVUHK-SWLSCSKDSA-N 2 2 328.403 3.117 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000594496142 459059979 /nfs/dbraw/zinc/05/99/79/459059979.db2.gz IJIVJTMTATUKEX-SFHVURJKSA-N 2 2 339.439 3.337 10 0 EGAELP Cc1cn(-c2cncc(-c3ccc(C[NH+]4CCOCC4)cc3)c2)c[nH+]1 ZINC000521398314 459147552 /nfs/dbraw/zinc/14/75/52/459147552.db2.gz HEKKWDPHZVWSPS-UHFFFAOYSA-N 2 2 334.423 3.075 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000595016294 459216628 /nfs/dbraw/zinc/21/66/28/459216628.db2.gz KCJBDVWKRGXCRF-HNNXBMFYSA-N 2 2 329.444 3.330 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000480761570 459217004 /nfs/dbraw/zinc/21/70/04/459217004.db2.gz JKXZGKZGJUZITD-MTQWCTHYSA-N 2 2 328.500 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000480761570 459217012 /nfs/dbraw/zinc/21/70/12/459217012.db2.gz JKXZGKZGJUZITD-MTQWCTHYSA-N 2 2 328.500 3.300 10 0 EGAELP C[C@@H](CSCCF)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000595030612 459222129 /nfs/dbraw/zinc/22/21/29/459222129.db2.gz SVCGQLIZOSJYML-AWEZNQCLSA-N 2 2 340.512 3.115 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650975 459237612 /nfs/dbraw/zinc/23/76/12/459237612.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@H+]1C ZINC000578650975 459237617 /nfs/dbraw/zinc/23/76/17/459237617.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650975 459237621 /nfs/dbraw/zinc/23/76/21/459237621.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650975 459237625 /nfs/dbraw/zinc/23/76/25/459237625.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 3 2 327.516 3.256 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000533811649 459270393 /nfs/dbraw/zinc/27/03/93/459270393.db2.gz XJJYRIRYAMBNHM-UHFFFAOYSA-N 2 2 331.485 3.086 10 0 EGAELP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081888 459307898 /nfs/dbraw/zinc/30/78/98/459307898.db2.gz BCUOXEKBCKMMFU-OLZOCXBDSA-N 2 2 329.429 3.393 10 0 EGAELP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081888 459307902 /nfs/dbraw/zinc/30/79/02/459307902.db2.gz BCUOXEKBCKMMFU-OLZOCXBDSA-N 2 2 329.429 3.393 10 0 EGAELP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582944959 459454816 /nfs/dbraw/zinc/45/48/16/459454816.db2.gz YOKJQEQPNMDRAO-WMZOPIPTSA-N 2 2 339.487 3.100 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1SC ZINC000592399992 459593093 /nfs/dbraw/zinc/59/30/93/459593093.db2.gz LDTZVGKQRFRSDK-PILAGYSTSA-N 2 2 331.485 3.432 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000584050013 459641762 /nfs/dbraw/zinc/64/17/62/459641762.db2.gz FDTYPYYUODTBIU-RBUKOAKNSA-N 2 2 331.410 3.246 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000563119634 459717867 /nfs/dbraw/zinc/71/78/67/459717867.db2.gz AMGKDAMDMXAHDR-FQEVSTJZSA-N 3 2 327.516 3.259 10 0 EGAELP Cc1cnc(C(C)(C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000544107469 459728631 /nfs/dbraw/zinc/72/86/31/459728631.db2.gz JZLLQBCZCZJZMB-UHFFFAOYSA-N 2 2 327.457 3.366 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000527793271 459737953 /nfs/dbraw/zinc/73/79/53/459737953.db2.gz XOOHACOLYNKXLP-VXGBXAGGSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000527793271 459737957 /nfs/dbraw/zinc/73/79/57/459737957.db2.gz XOOHACOLYNKXLP-VXGBXAGGSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527805777 459743101 /nfs/dbraw/zinc/74/31/01/459743101.db2.gz HYGNNMYTTYTLGD-SFHVURJKSA-N 2 2 328.435 3.322 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527805777 459743108 /nfs/dbraw/zinc/74/31/08/459743108.db2.gz HYGNNMYTTYTLGD-SFHVURJKSA-N 2 2 328.435 3.322 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OC(F)F ZINC000527807965 459744172 /nfs/dbraw/zinc/74/41/72/459744172.db2.gz OKXYQWFQTSTDOS-HNNXBMFYSA-N 2 2 340.414 3.403 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1OC(F)F ZINC000527807965 459744179 /nfs/dbraw/zinc/74/41/79/459744179.db2.gz OKXYQWFQTSTDOS-HNNXBMFYSA-N 2 2 340.414 3.403 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008408 459795220 /nfs/dbraw/zinc/79/52/20/459795220.db2.gz DNGMTLHZSQZKOC-KSSFIOAISA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008408 459795225 /nfs/dbraw/zinc/79/52/25/459795225.db2.gz DNGMTLHZSQZKOC-KSSFIOAISA-N 2 2 345.487 3.321 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000597220932 459882493 /nfs/dbraw/zinc/88/24/93/459882493.db2.gz CZBVECQTFMVWAR-UHFFFAOYSA-N 2 2 348.462 3.499 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686839 459966851 /nfs/dbraw/zinc/96/68/51/459966851.db2.gz COOWREAQGNBYTJ-BEFAXECRSA-N 2 2 332.875 3.484 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686839 459966857 /nfs/dbraw/zinc/96/68/57/459966857.db2.gz COOWREAQGNBYTJ-BEFAXECRSA-N 2 2 332.875 3.484 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588688655 459967437 /nfs/dbraw/zinc/96/74/37/459967437.db2.gz UCXJBGFPVAZBJV-PXNSSMCTSA-N 2 2 342.483 3.229 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588688655 459967443 /nfs/dbraw/zinc/96/74/43/459967443.db2.gz UCXJBGFPVAZBJV-PXNSSMCTSA-N 2 2 342.483 3.229 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728476 460032757 /nfs/dbraw/zinc/03/27/57/460032757.db2.gz QNKUMVZPCHHXRU-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728476 460032762 /nfs/dbraw/zinc/03/27/62/460032762.db2.gz QNKUMVZPCHHXRU-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728476 460032767 /nfs/dbraw/zinc/03/27/67/460032767.db2.gz QNKUMVZPCHHXRU-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccnn2CCc2ccccc2)C1 ZINC000621728476 460032771 /nfs/dbraw/zinc/03/27/71/460032771.db2.gz QNKUMVZPCHHXRU-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253347 460091574 /nfs/dbraw/zinc/09/15/74/460091574.db2.gz GHYPQLNWNHBQAC-FZKQIMNGSA-N 2 2 331.435 3.152 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253347 460091580 /nfs/dbraw/zinc/09/15/80/460091580.db2.gz GHYPQLNWNHBQAC-FZKQIMNGSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253347 460091584 /nfs/dbraw/zinc/09/15/84/460091584.db2.gz GHYPQLNWNHBQAC-FZKQIMNGSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253347 460091589 /nfs/dbraw/zinc/09/15/89/460091589.db2.gz GHYPQLNWNHBQAC-FZKQIMNGSA-N 2 2 331.435 3.152 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000598997604 460121192 /nfs/dbraw/zinc/12/11/92/460121192.db2.gz FWSKAHVEFJRHLS-SCTDSRPQSA-N 2 2 336.520 3.495 10 0 EGAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000598997604 460121196 /nfs/dbraw/zinc/12/11/96/460121196.db2.gz FWSKAHVEFJRHLS-SCTDSRPQSA-N 2 2 336.520 3.495 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000626089091 460367664 /nfs/dbraw/zinc/36/76/64/460367664.db2.gz AFUPLBRITAHAAM-UHFFFAOYSA-N 2 2 344.499 3.226 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342477 460499685 /nfs/dbraw/zinc/49/96/85/460499685.db2.gz BPFWKMMZCZFMSJ-RHSMWYFYSA-N 2 2 332.488 3.371 10 0 EGAELP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342477 460499693 /nfs/dbraw/zinc/49/96/93/460499693.db2.gz BPFWKMMZCZFMSJ-RHSMWYFYSA-N 2 2 332.488 3.371 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@@H+]1C ZINC000623430445 460545703 /nfs/dbraw/zinc/54/57/03/460545703.db2.gz QDYYTBLCWMVUFN-AAEUAGOBSA-N 2 2 334.357 3.339 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC[N@H+]1C ZINC000623430445 460545705 /nfs/dbraw/zinc/54/57/05/460545705.db2.gz QDYYTBLCWMVUFN-AAEUAGOBSA-N 2 2 334.357 3.339 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n1)C2 ZINC000623868832 460752835 /nfs/dbraw/zinc/75/28/35/460752835.db2.gz IPVQCXHZFCWFHF-ZWKOTPCHSA-N 2 2 335.455 3.036 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)n1)C2 ZINC000623868832 460752836 /nfs/dbraw/zinc/75/28/36/460752836.db2.gz IPVQCXHZFCWFHF-ZWKOTPCHSA-N 2 2 335.455 3.036 10 0 EGAELP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000629558183 460806959 /nfs/dbraw/zinc/80/69/59/460806959.db2.gz CKRLITIEKXXTLM-CQSZACIVSA-N 2 2 327.266 3.204 10 0 EGAELP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000629558183 460806964 /nfs/dbraw/zinc/80/69/64/460806964.db2.gz CKRLITIEKXXTLM-CQSZACIVSA-N 2 2 327.266 3.204 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629600769 460822732 /nfs/dbraw/zinc/82/27/32/460822732.db2.gz DGEFRYPIFYWCRG-RTBURBONSA-N 2 2 346.515 3.156 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629600769 460822735 /nfs/dbraw/zinc/82/27/35/460822735.db2.gz DGEFRYPIFYWCRG-RTBURBONSA-N 2 2 346.515 3.156 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[NH2+]1 ZINC000629660401 460853539 /nfs/dbraw/zinc/85/35/39/460853539.db2.gz TXCIHAPJGMVDHK-JSGCOSHPSA-N 2 2 338.377 3.121 10 0 EGAELP CC[C@@H](C)Oc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC ZINC000629666448 460856402 /nfs/dbraw/zinc/85/64/02/460856402.db2.gz PDPVBWPZKRTHFU-YSGRDPCXSA-N 2 2 332.488 3.304 10 0 EGAELP CC[C@@H](C)Oc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1OC ZINC000629666448 460856404 /nfs/dbraw/zinc/85/64/04/460856404.db2.gz PDPVBWPZKRTHFU-YSGRDPCXSA-N 2 2 332.488 3.304 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770072 460916298 /nfs/dbraw/zinc/91/62/98/460916298.db2.gz JTMKGVWQHVAPMD-PKOBYXMFSA-N 2 2 342.487 3.107 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770072 460916304 /nfs/dbraw/zinc/91/63/04/460916304.db2.gz JTMKGVWQHVAPMD-PKOBYXMFSA-N 2 2 342.487 3.107 10 0 EGAELP CN(C)c1ncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000608069556 460976424 /nfs/dbraw/zinc/97/64/24/460976424.db2.gz CFHCZZPTEDBAKC-INIZCTEOSA-N 2 2 341.484 3.016 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000608074467 460977522 /nfs/dbraw/zinc/97/75/22/460977522.db2.gz SGYUKPCYHZPDRZ-GOSISDBHSA-N 2 2 345.450 3.380 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624384619 460984474 /nfs/dbraw/zinc/98/44/74/460984474.db2.gz ZAZWATPLHTYWQE-QGZVFWFLSA-N 2 2 337.471 3.282 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624384619 460984479 /nfs/dbraw/zinc/98/44/79/460984479.db2.gz ZAZWATPLHTYWQE-QGZVFWFLSA-N 2 2 337.471 3.282 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@@H]3CC[N@H+]3C3CCCC3)n1)C2 ZINC000624639772 461077673 /nfs/dbraw/zinc/07/76/73/461077673.db2.gz ZAUFCXSKYHFJKU-IBGZPJMESA-N 2 2 349.482 3.426 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662262414 461151324 /nfs/dbraw/zinc/15/13/24/461151324.db2.gz FFKGJMMBMAEPBL-WBVHZDCISA-N 2 2 345.512 3.408 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662262414 461151328 /nfs/dbraw/zinc/15/13/28/461151328.db2.gz FFKGJMMBMAEPBL-WBVHZDCISA-N 2 2 345.512 3.408 10 0 EGAELP CC[N@@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545909 461164517 /nfs/dbraw/zinc/16/45/17/461164517.db2.gz YHQINRFBTUVDFJ-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP CC[N@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545909 461164523 /nfs/dbraw/zinc/16/45/23/461164523.db2.gz YHQINRFBTUVDFJ-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP CC[NH+](Cc1cc2n(n1)CCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545909 461164532 /nfs/dbraw/zinc/16/45/32/461164532.db2.gz YHQINRFBTUVDFJ-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP CC[NH+](Cc1cc2n(n1)CCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545909 461164537 /nfs/dbraw/zinc/16/45/37/461164537.db2.gz YHQINRFBTUVDFJ-IBGZPJMESA-N 2 2 338.499 3.173 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3nnn(-c4ccccc4)c3C3CC3)CC2)[nH]1 ZINC000637988153 461177052 /nfs/dbraw/zinc/17/70/52/461177052.db2.gz VFWZBYBUQNBNSM-UHFFFAOYSA-N 2 2 348.454 3.247 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000662316693 461188351 /nfs/dbraw/zinc/18/83/51/461188351.db2.gz LXTFVJOTLWWSBY-HNNXBMFYSA-N 2 2 330.394 3.248 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000662316693 461188359 /nfs/dbraw/zinc/18/83/59/461188359.db2.gz LXTFVJOTLWWSBY-HNNXBMFYSA-N 2 2 330.394 3.248 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000662318989 461189030 /nfs/dbraw/zinc/18/90/30/461189030.db2.gz IJQVVIHEUREOKV-QGZVFWFLSA-N 2 2 345.512 3.353 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000662318989 461189040 /nfs/dbraw/zinc/18/90/40/461189040.db2.gz IJQVVIHEUREOKV-QGZVFWFLSA-N 2 2 345.512 3.353 10 0 EGAELP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1F ZINC000662320109 461189854 /nfs/dbraw/zinc/18/98/54/461189854.db2.gz FALULBQNOJHYLA-QZTJIDSGSA-N 2 2 341.430 3.053 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1F ZINC000662320109 461189860 /nfs/dbraw/zinc/18/98/60/461189860.db2.gz FALULBQNOJHYLA-QZTJIDSGSA-N 2 2 341.430 3.053 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325721 461192883 /nfs/dbraw/zinc/19/28/83/461192883.db2.gz IVUJKIKTTGWQRV-IBGZPJMESA-N 2 2 334.504 3.361 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325721 461192891 /nfs/dbraw/zinc/19/28/91/461192891.db2.gz IVUJKIKTTGWQRV-IBGZPJMESA-N 2 2 334.504 3.361 10 0 EGAELP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000646395300 461234224 /nfs/dbraw/zinc/23/42/24/461234224.db2.gz VHOGQPFGBSZLPK-GOSISDBHSA-N 2 2 345.393 3.199 10 0 EGAELP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC1C[NH+](C)C1 ZINC000668538205 461318401 /nfs/dbraw/zinc/31/84/01/461318401.db2.gz WLPUQPBGUMSMSK-UHFFFAOYSA-N 2 2 345.874 3.307 10 0 EGAELP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC1C[NH+](C)C1 ZINC000668538205 461318411 /nfs/dbraw/zinc/31/84/11/461318411.db2.gz WLPUQPBGUMSMSK-UHFFFAOYSA-N 2 2 345.874 3.307 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655685506 461361990 /nfs/dbraw/zinc/36/19/90/461361990.db2.gz GGZDPDLKDMKOTK-MSOLQXFVSA-N 2 2 333.545 3.072 10 0 EGAELP c1coc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655698357 461370341 /nfs/dbraw/zinc/37/03/41/461370341.db2.gz VFAJSEKLCAYOGX-QUCCMNQESA-N 2 2 326.440 3.212 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000665975119 461384476 /nfs/dbraw/zinc/38/44/76/461384476.db2.gz FGSDGHMDAJXZQZ-MRXNPFEDSA-N 2 2 341.459 3.081 10 0 EGAELP CCN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000666062386 461431999 /nfs/dbraw/zinc/43/19/99/461431999.db2.gz LYXZHFSXRKCQAD-INIZCTEOSA-N 2 2 340.427 3.432 10 0 EGAELP CCN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000666062386 461432004 /nfs/dbraw/zinc/43/20/04/461432004.db2.gz LYXZHFSXRKCQAD-INIZCTEOSA-N 2 2 340.427 3.432 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660127410 461599669 /nfs/dbraw/zinc/59/96/69/461599669.db2.gz MWYYKXRXKOLMRW-YOEHRIQHSA-N 2 2 335.398 3.233 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660127410 461599683 /nfs/dbraw/zinc/59/96/83/461599683.db2.gz MWYYKXRXKOLMRW-YOEHRIQHSA-N 2 2 335.398 3.233 10 0 EGAELP Cc1c[nH+]c(C)nc1NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000656126143 461608292 /nfs/dbraw/zinc/60/82/92/461608292.db2.gz JTRWMUPLFWUNIT-MRXNPFEDSA-N 2 2 340.471 3.405 10 0 EGAELP OC[C@@]1([NH2+]C2CCC(F)(F)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000647296651 461619642 /nfs/dbraw/zinc/61/96/42/461619642.db2.gz RHMQSKWRRPWJPM-GOSISDBHSA-N 2 2 338.442 3.181 10 0 EGAELP OC[C@@]1([NH2+]C2CCC(F)(F)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000647296651 461619652 /nfs/dbraw/zinc/61/96/52/461619652.db2.gz RHMQSKWRRPWJPM-GOSISDBHSA-N 2 2 338.442 3.181 10 0 EGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480716 461727073 /nfs/dbraw/zinc/72/70/73/461727073.db2.gz XXSMONJIHLVIJY-IAGOWNOFSA-N 2 2 348.487 3.067 10 0 EGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480716 461727083 /nfs/dbraw/zinc/72/70/83/461727083.db2.gz XXSMONJIHLVIJY-IAGOWNOFSA-N 2 2 348.487 3.067 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402539 461733416 /nfs/dbraw/zinc/73/34/16/461733416.db2.gz NKTSVMQYMVMTIM-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccncc2)cc1 ZINC000656402539 461733422 /nfs/dbraw/zinc/73/34/22/461733422.db2.gz NKTSVMQYMVMTIM-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccncc2)cc1 ZINC000656402539 461733429 /nfs/dbraw/zinc/73/34/29/461733429.db2.gz NKTSVMQYMVMTIM-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccncc2)cc1 ZINC000656402539 461733435 /nfs/dbraw/zinc/73/34/35/461733435.db2.gz NKTSVMQYMVMTIM-LRSLUSHPSA-N 2 2 333.479 3.424 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1Br ZINC000643525869 461753137 /nfs/dbraw/zinc/75/31/37/461753137.db2.gz GCXBFXOUXNISAK-JGVFFNPUSA-N 2 2 336.071 3.209 10 0 EGAELP Cc1cc[nH+]c(N2CCN(c3cc(C(F)(F)F)cc(C)[nH+]3)CC2)c1 ZINC000663724594 461773652 /nfs/dbraw/zinc/77/36/52/461773652.db2.gz SJPAFNCKIGMJJI-UHFFFAOYSA-N 2 2 336.361 3.439 10 0 EGAELP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(C)n1 ZINC000660479580 461803186 /nfs/dbraw/zinc/80/31/86/461803186.db2.gz GYBWDFGJNAZOHK-MRXNPFEDSA-N 2 2 325.460 3.006 10 0 EGAELP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(C)n1 ZINC000660479580 461803190 /nfs/dbraw/zinc/80/31/90/461803190.db2.gz GYBWDFGJNAZOHK-MRXNPFEDSA-N 2 2 325.460 3.006 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900955 461876737 /nfs/dbraw/zinc/87/67/37/461876737.db2.gz HXPUIXMICBEUMS-GNBUJSLZSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900955 461876743 /nfs/dbraw/zinc/87/67/43/461876743.db2.gz HXPUIXMICBEUMS-GNBUJSLZSA-N 2 2 343.515 3.025 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655624 461908503 /nfs/dbraw/zinc/90/85/03/461908503.db2.gz OFNFPOPIOQLSDT-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655624 461908508 /nfs/dbraw/zinc/90/85/08/461908508.db2.gz OFNFPOPIOQLSDT-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655624 461908512 /nfs/dbraw/zinc/90/85/12/461908512.db2.gz OFNFPOPIOQLSDT-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655624 461908515 /nfs/dbraw/zinc/90/85/15/461908515.db2.gz OFNFPOPIOQLSDT-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696813 461928500 /nfs/dbraw/zinc/92/85/00/461928500.db2.gz VOHLNJGWIMHZGT-UHFFFAOYSA-N 2 2 348.531 3.391 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010071 461938628 /nfs/dbraw/zinc/93/86/28/461938628.db2.gz JPXRJEPJUMQBPH-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010071 461938632 /nfs/dbraw/zinc/93/86/32/461938632.db2.gz JPXRJEPJUMQBPH-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010071 461938636 /nfs/dbraw/zinc/93/86/36/461938636.db2.gz JPXRJEPJUMQBPH-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)[C@H](C)C1 ZINC000648010071 461938638 /nfs/dbraw/zinc/93/86/38/461938638.db2.gz JPXRJEPJUMQBPH-MJGOQNOKSA-N 2 2 326.488 3.343 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648013872 461943518 /nfs/dbraw/zinc/94/35/18/461943518.db2.gz VDIARXJEEKFNBQ-FXAWDEMLSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648013872 461943522 /nfs/dbraw/zinc/94/35/22/461943522.db2.gz VDIARXJEEKFNBQ-FXAWDEMLSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c(Br)c(C)[nH+]1 ZINC000664138543 461955188 /nfs/dbraw/zinc/95/51/88/461955188.db2.gz GPRQDZRJTRGVQC-LLVKDONJSA-N 2 2 327.270 3.141 10 0 EGAELP Cc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)c(Br)c(C)[nH+]1 ZINC000664138543 461955195 /nfs/dbraw/zinc/95/51/95/461955195.db2.gz GPRQDZRJTRGVQC-LLVKDONJSA-N 2 2 327.270 3.141 10 0 EGAELP CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657348220 462062266 /nfs/dbraw/zinc/06/22/66/462062266.db2.gz OLBTXCMLZYADCZ-GOSISDBHSA-N 2 2 327.476 3.012 10 0 EGAELP C[C@H]1C[NH+](Cc2cccc(NCc3c[nH+]c4n3CCC4)c2)C[C@H](C)O1 ZINC000657410491 462104773 /nfs/dbraw/zinc/10/47/73/462104773.db2.gz IRHHVRZUDPCCOA-HOTGVXAUSA-N 2 2 340.471 3.051 10 0 EGAELP c1cc(CNc2ccc(N3CCCCC3)[nH+]c2)n(-c2cc[nH+]cc2)n1 ZINC000657412271 462106068 /nfs/dbraw/zinc/10/60/68/462106068.db2.gz AGCYVWIBBHVGSY-UHFFFAOYSA-N 2 2 334.427 3.265 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648456475 462126769 /nfs/dbraw/zinc/12/67/69/462126769.db2.gz WDKBMVMUZCRYFL-LJQANCHMSA-N 2 2 330.516 3.413 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000667667218 462201264 /nfs/dbraw/zinc/20/12/64/462201264.db2.gz HWJCBLWTOYEVQQ-BXUZGUMPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000667667218 462201268 /nfs/dbraw/zinc/20/12/68/462201268.db2.gz HWJCBLWTOYEVQQ-BXUZGUMPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000667667218 462201272 /nfs/dbraw/zinc/20/12/72/462201272.db2.gz HWJCBLWTOYEVQQ-BXUZGUMPSA-N 2 2 326.282 3.067 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(OC(F)F)c1 ZINC000657523670 462167278 /nfs/dbraw/zinc/16/72/78/462167278.db2.gz HTWKXVZWUAAVQM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(OC(F)F)c1 ZINC000657523670 462167281 /nfs/dbraw/zinc/16/72/81/462167281.db2.gz HTWKXVZWUAAVQM-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000667667218 462201261 /nfs/dbraw/zinc/20/12/61/462201261.db2.gz HWJCBLWTOYEVQQ-BXUZGUMPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(Br)c(C[NH2+]Cc2c[nH+]c3n2CCC3)s1 ZINC000657673222 462223709 /nfs/dbraw/zinc/22/37/09/462223709.db2.gz DRTYBJNAVNLPEN-UHFFFAOYSA-N 2 2 326.263 3.252 10 0 EGAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C(F)F ZINC000657827292 462286995 /nfs/dbraw/zinc/28/69/95/462286995.db2.gz LFZPXNRDTPNQNO-MRXNPFEDSA-N 2 2 339.474 3.468 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000657883395 462306857 /nfs/dbraw/zinc/30/68/57/462306857.db2.gz RQUFAJONBZPAHF-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000657883395 462306862 /nfs/dbraw/zinc/30/68/62/462306862.db2.gz RQUFAJONBZPAHF-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+][C@H]2COC3(CCC3)C2)CCOCC1)c1ccccc1 ZINC000657889836 462308297 /nfs/dbraw/zinc/30/82/97/462308297.db2.gz QXZHCMKQBREEQH-IEBWSBKVSA-N 2 2 344.499 3.188 10 0 EGAELP Cc1cccn2c(NC(=O)NCCCC[NH+]3CCC(C)CC3)c[nH+]c12 ZINC000667948616 462340793 /nfs/dbraw/zinc/34/07/93/462340793.db2.gz GLTVEQDPMGWKKL-UHFFFAOYSA-N 2 2 343.475 3.276 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnccc2C)cc1F ZINC000665259318 462374105 /nfs/dbraw/zinc/37/41/05/462374105.db2.gz BGXQDVDKEKWYRB-QOKNQOGYSA-N 2 2 343.446 3.334 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncs2)cc1F ZINC000665260179 462374685 /nfs/dbraw/zinc/37/46/85/462374685.db2.gz YQTZBTMOQUDRPP-WHOFXGATSA-N 2 2 335.448 3.087 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928652 462382240 /nfs/dbraw/zinc/38/22/40/462382240.db2.gz OKEGZGWIBSLAJL-NHCUHLMSSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928652 462382246 /nfs/dbraw/zinc/38/22/46/462382246.db2.gz OKEGZGWIBSLAJL-NHCUHLMSSA-N 2 2 328.500 3.446 10 0 EGAELP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)n1C ZINC000651955221 462390650 /nfs/dbraw/zinc/39/06/50/462390650.db2.gz CSJKKCKHXXDPEA-MRXNPFEDSA-N 2 2 330.451 3.222 10 0 EGAELP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)n1C ZINC000651955221 462390654 /nfs/dbraw/zinc/39/06/54/462390654.db2.gz CSJKKCKHXXDPEA-MRXNPFEDSA-N 2 2 330.451 3.222 10 0 EGAELP COCc1cc[nH+]c(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000652068508 462425054 /nfs/dbraw/zinc/42/50/54/462425054.db2.gz FXYURDCVUQAYCO-UHFFFAOYSA-N 2 2 325.456 3.347 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000189753766 533971758 /nfs/dbraw/zinc/97/17/58/533971758.db2.gz MGHNKWFMYCZHJA-IAGOWNOFSA-N 2 2 346.381 3.235 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000189753766 533971768 /nfs/dbraw/zinc/97/17/68/533971768.db2.gz MGHNKWFMYCZHJA-IAGOWNOFSA-N 2 2 346.381 3.235 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132757989 534780480 /nfs/dbraw/zinc/78/04/80/534780480.db2.gz ZRAJBSGJKOMCQI-FQEVSTJZSA-N 2 2 335.455 3.101 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132757989 534780490 /nfs/dbraw/zinc/78/04/90/534780490.db2.gz ZRAJBSGJKOMCQI-FQEVSTJZSA-N 2 2 335.455 3.101 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444565 527833771 /nfs/dbraw/zinc/83/37/71/527833771.db2.gz JHJSDWUUCLUUSU-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444565 527833776 /nfs/dbraw/zinc/83/37/76/527833776.db2.gz JHJSDWUUCLUUSU-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444565 527833778 /nfs/dbraw/zinc/83/37/78/527833778.db2.gz JHJSDWUUCLUUSU-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000179444565 527833782 /nfs/dbraw/zinc/83/37/82/527833782.db2.gz JHJSDWUUCLUUSU-XLIONFOSSA-N 2 2 326.488 3.094 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178292500 528409836 /nfs/dbraw/zinc/40/98/36/528409836.db2.gz LKTSCDNUIWYVLJ-LJQANCHMSA-N 2 2 341.455 3.457 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178292500 528409843 /nfs/dbraw/zinc/40/98/43/528409843.db2.gz LKTSCDNUIWYVLJ-LJQANCHMSA-N 2 2 341.455 3.457 10 0 EGAELP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348061737 535097948 /nfs/dbraw/zinc/09/79/48/535097948.db2.gz JKACCUGNQDEVBL-OALUTQOASA-N 3 2 330.520 3.008 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952841 535129020 /nfs/dbraw/zinc/12/90/20/535129020.db2.gz UQTPKRYRKKEHQX-ZOBUZTSGSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952841 535129027 /nfs/dbraw/zinc/12/90/27/535129027.db2.gz UQTPKRYRKKEHQX-ZOBUZTSGSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246952841 535129029 /nfs/dbraw/zinc/12/90/29/535129029.db2.gz UQTPKRYRKKEHQX-ZOBUZTSGSA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246952841 535129036 /nfs/dbraw/zinc/12/90/36/535129036.db2.gz UQTPKRYRKKEHQX-ZOBUZTSGSA-N 2 2 332.492 3.422 10 0 EGAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000185978447 535909547 /nfs/dbraw/zinc/90/95/47/535909547.db2.gz NWLJBNBGTDYSPL-BBRMVZONSA-N 2 2 328.859 3.367 10 0 EGAELP Cc1sc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1C ZINC000374206781 547805243 /nfs/dbraw/zinc/80/52/43/547805243.db2.gz GELWVJTVNHELDN-UHFFFAOYSA-N 2 2 332.473 3.215 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)cn21 ZINC000592401087 548104113 /nfs/dbraw/zinc/10/41/13/548104113.db2.gz CGPRJGMXTZUTPI-IZHWHUGBSA-N 2 2 341.480 3.273 10 0 EGAELP Cc1ccc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)c(N2CCCC2)[nH+]1 ZINC000631202424 548141510 /nfs/dbraw/zinc/14/15/10/548141510.db2.gz QGXYOSGEVWZUJI-UHFFFAOYSA-N 2 2 348.454 3.173 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351249 /nfs/dbraw/zinc/35/12/49/548351249.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 3 2 341.543 3.361 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351252 /nfs/dbraw/zinc/35/12/52/548351252.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351254 /nfs/dbraw/zinc/35/12/54/548351254.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 3 2 341.543 3.361 10 0 EGAELP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351257 /nfs/dbraw/zinc/35/12/57/548351257.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 3 2 341.543 3.361 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768388 548976984 /nfs/dbraw/zinc/97/69/84/548976984.db2.gz XBIPETABUZVJBT-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768388 548976988 /nfs/dbraw/zinc/97/69/88/548976988.db2.gz XBIPETABUZVJBT-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP Cc1ncc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000675917479 549004609 /nfs/dbraw/zinc/00/46/09/549004609.db2.gz CDUJMWONQVJZOR-KXBFYZLASA-N 2 2 335.455 3.462 10 0 EGAELP CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677306636 549246127 /nfs/dbraw/zinc/24/61/27/549246127.db2.gz ONBOYRHWRDTYKL-IEBWSBKVSA-N 2 2 349.563 3.220 10 0 EGAELP CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677306636 549246130 /nfs/dbraw/zinc/24/61/30/549246130.db2.gz ONBOYRHWRDTYKL-IEBWSBKVSA-N 2 2 349.563 3.220 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024834 549618099 /nfs/dbraw/zinc/61/80/99/549618099.db2.gz NVJASJPCUVELQP-FYINFDKHSA-N 2 2 348.494 3.073 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024834 549618104 /nfs/dbraw/zinc/61/81/04/549618104.db2.gz NVJASJPCUVELQP-FYINFDKHSA-N 2 2 348.494 3.073 10 0 EGAELP CCC(=O)N1CCC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000681699036 550027745 /nfs/dbraw/zinc/02/77/45/550027745.db2.gz QWJCLLBROVRIIO-NRFANRHFSA-N 2 2 343.515 3.032 10 0 EGAELP CCC(=O)N1CCC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000681699036 550027747 /nfs/dbraw/zinc/02/77/47/550027747.db2.gz QWJCLLBROVRIIO-NRFANRHFSA-N 2 2 343.515 3.032 10 0 EGAELP CCc1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000684005872 550281949 /nfs/dbraw/zinc/28/19/49/550281949.db2.gz WWCKTLZVSISIKN-UHFFFAOYSA-N 2 2 331.489 3.013 10 0 EGAELP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684554251 550342086 /nfs/dbraw/zinc/34/20/86/550342086.db2.gz SRMUTLPKOZIQAG-IEBWSBKVSA-N 2 2 335.455 3.105 10 0 EGAELP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000685629485 550434694 /nfs/dbraw/zinc/43/46/94/550434694.db2.gz LQTJWAUFNPNHDF-OAHLLOKOSA-N 2 2 347.422 3.204 10 0 EGAELP Cn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000685629485 550434696 /nfs/dbraw/zinc/43/46/96/550434696.db2.gz LQTJWAUFNPNHDF-OAHLLOKOSA-N 2 2 347.422 3.204 10 0 EGAELP Brc1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cs1 ZINC000731451221 575074749 /nfs/dbraw/zinc/07/47/49/575074749.db2.gz DWUVTMFHDPZXFL-UHFFFAOYSA-N 2 2 349.257 3.381 10 0 EGAELP C[NH+]1CC[C@]2([C@@]34CC[N@@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000013837638 571704568 /nfs/dbraw/zinc/70/45/68/571704568.db2.gz HOYXPMHLHJOGHD-ZDNVTZCJSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP C[NH+]1CC[C@]2([C@@]34CC[N@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000013837638 571704572 /nfs/dbraw/zinc/70/45/72/571704572.db2.gz HOYXPMHLHJOGHD-ZDNVTZCJSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP C[NH+]1CC[C@@]2([C@]34CC[N@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837638 571704576 /nfs/dbraw/zinc/70/45/76/571704576.db2.gz HOYXPMHLHJOGHD-ZDNVTZCJSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP C[NH+]1CC[C@@]2([C@]34CC[N@@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837638 571704581 /nfs/dbraw/zinc/70/45/81/571704581.db2.gz HOYXPMHLHJOGHD-ZDNVTZCJSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP CC(C)(C)c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)no1 ZINC000685572177 576192861 /nfs/dbraw/zinc/19/28/61/576192861.db2.gz YXZJKSCWHQPZHG-UHFFFAOYSA-N 2 2 349.519 3.297 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000738071381 576284923 /nfs/dbraw/zinc/28/49/23/576284923.db2.gz QDDASHDKWVUALT-UHFFFAOYSA-N 2 2 333.501 3.074 10 0 EGAELP C[NH+]1CCC(CNC(=O)/C=C\C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000742011210 576741916 /nfs/dbraw/zinc/74/19/16/576741916.db2.gz LEDJKOJWHQISFW-KHPPLWFESA-N 2 2 347.547 3.189 10 0 EGAELP COCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000078877702 1292531243 /nfs/dbraw/zinc/53/12/43/1292531243.db2.gz AEVCHJNWDRBLKN-UHFFFAOYSA-N 2 2 325.387 3.448 10 0 EGAELP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156330 1296775164 /nfs/dbraw/zinc/77/51/64/1296775164.db2.gz IDHIDNWCRQYRLA-PBHICJAKSA-N 2 2 332.492 3.457 10 0 EGAELP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)C1CCCC1 ZINC000872156330 1296775177 /nfs/dbraw/zinc/77/51/77/1296775177.db2.gz IDHIDNWCRQYRLA-PBHICJAKSA-N 2 2 332.492 3.457 10 0 EGAELP c1cn(C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2)c2ccccc2)c[nH+]1 ZINC000883386214 1302425587 /nfs/dbraw/zinc/42/55/87/1302425587.db2.gz BTIGBCXMRBHLTF-FPOVZHCZSA-N 2 2 332.451 3.493 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050666 1306192405 /nfs/dbraw/zinc/19/24/05/1306192405.db2.gz SPNSBHCUCWSVPZ-RHSMWYFYSA-N 2 2 335.492 3.087 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050666 1306192407 /nfs/dbraw/zinc/19/24/07/1306192407.db2.gz SPNSBHCUCWSVPZ-RHSMWYFYSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050666 1306192409 /nfs/dbraw/zinc/19/24/09/1306192409.db2.gz SPNSBHCUCWSVPZ-RHSMWYFYSA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@H](C)C1 ZINC000894050666 1306192413 /nfs/dbraw/zinc/19/24/13/1306192413.db2.gz SPNSBHCUCWSVPZ-RHSMWYFYSA-N 2 2 335.492 3.087 10 0 EGAELP Cc1noc2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000894150216 1306247045 /nfs/dbraw/zinc/24/70/45/1306247045.db2.gz WVPHZAUBCFKOBG-UHFFFAOYSA-N 2 2 336.439 3.285 10 0 EGAELP COC[C@@H](Cc1ccccc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110612 1309194949 /nfs/dbraw/zinc/19/49/49/1309194949.db2.gz QWFMZTFSGDRMAW-VAMGGRTRSA-N 2 2 339.483 3.416 10 0 EGAELP Cc1ccc2[nH+]cc(CN(c3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)n2c1 ZINC000895110706 1309194964 /nfs/dbraw/zinc/19/49/64/1309194964.db2.gz UVQVPIDCOHPEEP-QAQDUYKDSA-N 2 2 335.455 3.314 10 0 EGAELP Cc1nocc1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740428 1309498926 /nfs/dbraw/zinc/49/89/26/1309498926.db2.gz UKVMSDNCBYLVBD-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1nocc1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740428 1309498930 /nfs/dbraw/zinc/49/89/30/1309498930.db2.gz UKVMSDNCBYLVBD-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1nocc1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740428 1309498936 /nfs/dbraw/zinc/49/89/36/1309498936.db2.gz UKVMSDNCBYLVBD-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1nocc1C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740428 1309498938 /nfs/dbraw/zinc/49/89/38/1309498938.db2.gz UKVMSDNCBYLVBD-IYBDPMFKSA-N 2 2 343.471 3.224 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792479 1309523584 /nfs/dbraw/zinc/52/35/84/1309523584.db2.gz KELUFETWIFXWQP-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1nc(F)ccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792479 1309523588 /nfs/dbraw/zinc/52/35/88/1309523588.db2.gz KELUFETWIFXWQP-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792479 1309523591 /nfs/dbraw/zinc/52/35/91/1309523591.db2.gz KELUFETWIFXWQP-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792479 1309523595 /nfs/dbraw/zinc/52/35/95/1309523595.db2.gz KELUFETWIFXWQP-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c[nH+]1 ZINC000896353280 1309818588 /nfs/dbraw/zinc/81/85/88/1309818588.db2.gz XBRIBJPQADPYOO-QZTJIDSGSA-N 2 2 346.519 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c[nH+]1 ZINC000896353280 1309818593 /nfs/dbraw/zinc/81/85/93/1309818593.db2.gz XBRIBJPQADPYOO-QZTJIDSGSA-N 2 2 346.519 3.040 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CCF)C2)cc1)C(C)C ZINC000898492294 1310757911 /nfs/dbraw/zinc/75/79/11/1310757911.db2.gz SQEWLJHBGBWMCY-LJQANCHMSA-N 2 2 349.494 3.081 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CCF)C2)cc1)C(C)C ZINC000898492294 1310757918 /nfs/dbraw/zinc/75/79/18/1310757918.db2.gz SQEWLJHBGBWMCY-LJQANCHMSA-N 2 2 349.494 3.081 10 0 EGAELP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1)C(C)C ZINC000898492294 1310757923 /nfs/dbraw/zinc/75/79/23/1310757923.db2.gz SQEWLJHBGBWMCY-LJQANCHMSA-N 2 2 349.494 3.081 10 0 EGAELP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1)C(C)C ZINC000898492294 1310757925 /nfs/dbraw/zinc/75/79/25/1310757925.db2.gz SQEWLJHBGBWMCY-LJQANCHMSA-N 2 2 349.494 3.081 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000858145766 1328695764 /nfs/dbraw/zinc/69/57/64/1328695764.db2.gz DZALIVABSICBKW-YPMHNXCESA-N 2 2 329.257 3.469 10 0 EGAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000858145766 1328695767 /nfs/dbraw/zinc/69/57/67/1328695767.db2.gz DZALIVABSICBKW-YPMHNXCESA-N 2 2 329.257 3.469 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000929804080 1328705446 /nfs/dbraw/zinc/70/54/46/1328705446.db2.gz SPDIBQGVKOBOLD-JKSUJKDBSA-N 2 2 348.491 3.213 10 0 EGAELP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000858504398 1328782884 /nfs/dbraw/zinc/78/28/84/1328782884.db2.gz QORHCMIBLSDTKR-YOEHRIQHSA-N 2 2 325.412 3.175 10 0 EGAELP Nc1ccc(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000922210468 1322478840 /nfs/dbraw/zinc/47/88/40/1322478840.db2.gz TZXFYZWGLGULRO-UHFFFAOYSA-N 2 2 325.412 3.007 10 0 EGAELP CCO[C@H](C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1)C[NH+](C)C ZINC000922756315 1322611548 /nfs/dbraw/zinc/61/15/48/1322611548.db2.gz IIXSUYZYWATHPZ-LJQANCHMSA-N 2 2 343.471 3.239 10 0 EGAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000923426853 1322749751 /nfs/dbraw/zinc/74/97/51/1322749751.db2.gz HFQFDCYBSQVBQQ-CABCVRRESA-N 2 2 329.271 3.291 10 0 EGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924561395 1323055815 /nfs/dbraw/zinc/05/58/15/1323055815.db2.gz VWSCKQAEMDESJE-CJNGLKHVSA-N 2 2 338.293 3.295 10 0 EGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924561395 1323055822 /nfs/dbraw/zinc/05/58/22/1323055822.db2.gz VWSCKQAEMDESJE-CJNGLKHVSA-N 2 2 338.293 3.295 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000924627111 1323083019 /nfs/dbraw/zinc/08/30/19/1323083019.db2.gz ZSPCZBITLPJQOO-FQEVSTJZSA-N 2 2 325.456 3.226 10 0 EGAELP Fc1ccc2c(c1)[C@H]([NH+]1CCC([N@@H+]3CCCOCC3)CC1)CCC2 ZINC000931286007 1329086327 /nfs/dbraw/zinc/08/63/27/1329086327.db2.gz GVIHQWXDGQPLIN-HXUWFJFHSA-N 2 2 332.463 3.390 10 0 EGAELP Fc1ccc2c(c1)[C@H]([NH+]1CCC([N@H+]3CCCOCC3)CC1)CCC2 ZINC000931286007 1329086332 /nfs/dbraw/zinc/08/63/32/1329086332.db2.gz GVIHQWXDGQPLIN-HXUWFJFHSA-N 2 2 332.463 3.390 10 0 EGAELP FC(F)(F)c1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931293211 1329087651 /nfs/dbraw/zinc/08/76/51/1329087651.db2.gz ULWZMPFTFNEXSB-UHFFFAOYSA-N 2 2 342.405 3.392 10 0 EGAELP FC(F)(F)c1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931293211 1329087655 /nfs/dbraw/zinc/08/76/55/1329087655.db2.gz ULWZMPFTFNEXSB-UHFFFAOYSA-N 2 2 342.405 3.392 10 0 EGAELP CCON1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000925591713 1325224716 /nfs/dbraw/zinc/22/47/16/1325224716.db2.gz CQTIKQOEBPJKHP-HXUWFJFHSA-N 2 2 342.487 3.247 10 0 EGAELP CC[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000925731220 1325273020 /nfs/dbraw/zinc/27/30/20/1325273020.db2.gz SPAHQVDTQPXPAI-GHTZIAJQSA-N 2 2 343.515 3.446 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825634 1325318995 /nfs/dbraw/zinc/31/89/95/1325318995.db2.gz AZWGYGHKYPCETB-PMACEKPBSA-N 3 2 326.488 3.144 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925858919 1325334589 /nfs/dbraw/zinc/33/45/89/1325334589.db2.gz PCMCZABXNAQOTA-CJNGLKHVSA-N 2 2 338.377 3.207 10 0 EGAELP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926425482 1325550502 /nfs/dbraw/zinc/55/05/02/1325550502.db2.gz YVOLWMOSTDNPAK-RDTXWAMCSA-N 2 2 330.451 3.312 10 0 EGAELP CCO[C@H](C[NH2+][C@@H]1CCCSc2ccc(OC)cc21)C[NH+](C)C ZINC000926961425 1327798814 /nfs/dbraw/zinc/79/88/14/1327798814.db2.gz OWJNMJFXQFSBTA-NVXWUHKLSA-N 2 2 338.517 3.179 10 0 EGAELP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C(C)(C)O1 ZINC000927100766 1327862184 /nfs/dbraw/zinc/86/21/84/1327862184.db2.gz JEWWTZQGEWTUOE-KRWDZBQOSA-N 2 2 331.504 3.229 10 0 EGAELP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863547676 1329562636 /nfs/dbraw/zinc/56/26/36/1329562636.db2.gz RJFOAMPXPVGTBT-JTDSTZFVSA-N 3 2 333.520 3.328 10 0 EGAELP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866236523 1330082558 /nfs/dbraw/zinc/08/25/58/1330082558.db2.gz DHTDRFIMGTURMV-ICSRJNTNSA-N 2 2 344.430 3.188 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705907 1330142808 /nfs/dbraw/zinc/14/28/08/1330142808.db2.gz JGXKCVAPPNQGGG-MGPUTAFESA-N 2 2 342.487 3.418 10 0 EGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705907 1330142810 /nfs/dbraw/zinc/14/28/10/1330142810.db2.gz JGXKCVAPPNQGGG-MGPUTAFESA-N 2 2 342.487 3.418 10 0 EGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705437 1330143111 /nfs/dbraw/zinc/14/31/11/1330143111.db2.gz ZTSNULONFGMKCF-SFHVURJKSA-N 2 2 335.517 3.044 10 0 EGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705437 1330143114 /nfs/dbraw/zinc/14/31/14/1330143114.db2.gz ZTSNULONFGMKCF-SFHVURJKSA-N 2 2 335.517 3.044 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001323080070 1387284569 /nfs/dbraw/zinc/28/45/69/1387284569.db2.gz FOKHPOMEXMXMGF-APWZRJJASA-N 2 2 346.519 3.289 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)C3C[NH+](CCCC(C)(C)C)C3)ccn12 ZINC001323921946 1387496720 /nfs/dbraw/zinc/49/67/20/1387496720.db2.gz WCTUQGAALRONMW-UHFFFAOYSA-N 2 2 342.487 3.225 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324103637 1387543003 /nfs/dbraw/zinc/54/30/03/1387543003.db2.gz PTKMIUZZUVMHCO-SJLPKXTDSA-N 2 2 346.519 3.069 10 0 EGAELP Cc1[nH+]ccn1CCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001324754822 1387760655 /nfs/dbraw/zinc/76/06/55/1387760655.db2.gz FPYJTFYBHYNFPK-UHFFFAOYSA-N 2 2 337.427 3.225 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001198769131 1369109015 /nfs/dbraw/zinc/10/90/15/1369109015.db2.gz KGKYZPQCBLMYLE-UHFFFAOYSA-N 2 2 347.846 3.240 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCCC(C)C)CCC3)ccn12 ZINC001326823122 1388321709 /nfs/dbraw/zinc/32/17/09/1388321709.db2.gz RSWSIAUYQHYDMH-UHFFFAOYSA-N 2 2 342.487 3.321 10 0 EGAELP CC1CCC(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001266237770 1377241669 /nfs/dbraw/zinc/24/16/69/1377241669.db2.gz CNHYGDAIMBZDSL-DAWZGUTISA-N 2 2 346.519 3.139 10 0 EGAELP CC1CCC(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001266237770 1377241678 /nfs/dbraw/zinc/24/16/78/1377241678.db2.gz CNHYGDAIMBZDSL-DAWZGUTISA-N 2 2 346.519 3.139 10 0 EGAELP COCc1sccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818860 1377425938 /nfs/dbraw/zinc/42/59/38/1377425938.db2.gz KTQQXTOGZXMCOO-UHFFFAOYSA-N 2 2 328.397 3.036 10 0 EGAELP C[C@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271501932 1377634372 /nfs/dbraw/zinc/63/43/72/1377634372.db2.gz YBZJOCXKUWUNNJ-GJZGRUSLSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001271585189 1377641190 /nfs/dbraw/zinc/64/11/90/1377641190.db2.gz IVHXOQVBUFLMSJ-KRWDZBQOSA-N 2 2 334.508 3.139 10 0 EGAELP CCC1([NH2+]CCCC(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327455893 1388524085 /nfs/dbraw/zinc/52/40/85/1388524085.db2.gz SOAUZCYQBZDSNV-IAGOWNOFSA-N 2 2 346.519 3.310 10 0 EGAELP CCC1([NH2+]CCCC(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327455893 1388524087 /nfs/dbraw/zinc/52/40/87/1388524087.db2.gz SOAUZCYQBZDSNV-IAGOWNOFSA-N 2 2 346.519 3.310 10 0 EGAELP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001275608590 1378147250 /nfs/dbraw/zinc/14/72/50/1378147250.db2.gz AEBNXDGKAGSVEV-FAEJEUNOSA-N 2 2 347.503 3.038 10 0 EGAELP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001282469275 1378508373 /nfs/dbraw/zinc/50/83/73/1378508373.db2.gz PRYWIPPCSIJFCI-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001282469275 1378508375 /nfs/dbraw/zinc/50/83/75/1378508375.db2.gz PRYWIPPCSIJFCI-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283632299 1379068585 /nfs/dbraw/zinc/06/85/85/1379068585.db2.gz OLHVILQWQRNOOH-LQYUOIDQSA-N 2 2 328.460 3.359 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001284799688 1380220602 /nfs/dbraw/zinc/22/06/02/1380220602.db2.gz NYGPVWFSSLILMN-LSJNQWAISA-N 2 2 346.519 3.138 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001284799688 1380220604 /nfs/dbraw/zinc/22/06/04/1380220604.db2.gz NYGPVWFSSLILMN-LSJNQWAISA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317047541 1384824113 /nfs/dbraw/zinc/82/41/13/1384824113.db2.gz XPASMUWUNGZLNT-CEXWTWQISA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317047541 1384824116 /nfs/dbraw/zinc/82/41/16/1384824116.db2.gz XPASMUWUNGZLNT-CEXWTWQISA-N 2 2 344.503 3.112 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317207713 1384982886 /nfs/dbraw/zinc/98/28/86/1384982886.db2.gz WJWRCZXMMBWCDE-WBVHZDCISA-N 2 2 334.508 3.058 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317207713 1384982890 /nfs/dbraw/zinc/98/28/90/1384982890.db2.gz WJWRCZXMMBWCDE-WBVHZDCISA-N 2 2 334.508 3.058 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317350989 1385100203 /nfs/dbraw/zinc/10/02/03/1385100203.db2.gz NMXQWLQQQUJUAD-SJORKVTESA-N 2 2 328.460 3.073 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001174652204 1385130745 /nfs/dbraw/zinc/13/07/45/1385130745.db2.gz HDOBQVRUFYNWMR-GDBMZVCRSA-N 2 2 330.394 3.243 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317436672 1385139559 /nfs/dbraw/zinc/13/95/59/1385139559.db2.gz ZLGCTTZOBCKRAR-KRWDZBQOSA-N 2 2 346.519 3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001317436672 1385139561 /nfs/dbraw/zinc/13/95/61/1385139561.db2.gz ZLGCTTZOBCKRAR-KRWDZBQOSA-N 2 2 346.519 3.058 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329092939 1388967002 /nfs/dbraw/zinc/96/70/02/1388967002.db2.gz XXSZLBFWFYUISQ-SJORKVTESA-N 2 2 348.450 3.169 10 0 EGAELP CC[C@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)[NH2+]CCC(C)(C)C ZINC001698617793 1406252750 /nfs/dbraw/zinc/25/27/50/1406252750.db2.gz CRFGSHONXKKYDB-MRXNPFEDSA-N 2 2 344.503 3.106 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001319833055 1386324836 /nfs/dbraw/zinc/32/48/36/1386324836.db2.gz QAPRNECYFTZXAY-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP CC/C=C\CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001319921372 1386392303 /nfs/dbraw/zinc/39/23/03/1386392303.db2.gz FOMFMCLSJYTQQX-OOFWQKGWSA-N 2 2 328.460 3.263 10 0 EGAELP CC/C=C\CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001319921374 1386392779 /nfs/dbraw/zinc/39/27/79/1386392779.db2.gz FOMFMCLSJYTQQX-XFHJGTJQSA-N 2 2 328.460 3.263 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC001320009789 1386451433 /nfs/dbraw/zinc/45/14/33/1386451433.db2.gz MFBUVWCRHJVGIH-LJQANCHMSA-N 2 2 342.487 3.061 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC001320009789 1386451436 /nfs/dbraw/zinc/45/14/36/1386451436.db2.gz 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ABDYALDXAOPGCL-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733051749 1429190462 /nfs/dbraw/zinc/19/04/62/1429190462.db2.gz ABDYALDXAOPGCL-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001712999604 1417551995 /nfs/dbraw/zinc/55/19/95/1417551995.db2.gz NRSZXJQSJFWSJC-VQIMIIECSA-N 2 2 346.519 3.282 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001733077510 1429231780 /nfs/dbraw/zinc/23/17/80/1429231780.db2.gz TVDDJPSIBWJVOD-DLBZAZTESA-N 2 2 342.487 3.259 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001733083001 1429235784 /nfs/dbraw/zinc/23/57/84/1429235784.db2.gz JMRJVWSEHTZWOW-RTBURBONSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001713603182 1418389853 /nfs/dbraw/zinc/38/98/53/1418389853.db2.gz MSSGZBTXJRYROT-GOSISDBHSA-N 2 2 332.492 3.019 10 0 EGAELP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001713677292 1418429150 /nfs/dbraw/zinc/42/91/50/1418429150.db2.gz MSUROPQCCYGLAI-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001713825551 1418625437 /nfs/dbraw/zinc/62/54/37/1418625437.db2.gz JOHNVNSGIAHCEG-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001713825551 1418625440 /nfs/dbraw/zinc/62/54/40/1418625440.db2.gz JOHNVNSGIAHCEG-OALUTQOASA-N 2 2 346.519 3.241 10 0 EGAELP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713949027 1418734052 /nfs/dbraw/zinc/73/40/52/1418734052.db2.gz BJZNPXAATULZKF-JZANDJSESA-N 2 2 340.471 3.240 10 0 EGAELP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001714078408 1418873074 /nfs/dbraw/zinc/87/30/74/1418873074.db2.gz CWSLKLHUYXSLKW-SJORKVTESA-N 2 2 342.487 3.205 10 0 EGAELP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001714078408 1418873077 /nfs/dbraw/zinc/87/30/77/1418873077.db2.gz CWSLKLHUYXSLKW-SJORKVTESA-N 2 2 342.487 3.205 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001714198115 1419003327 /nfs/dbraw/zinc/00/33/27/1419003327.db2.gz HJLSMBPELYWBRF-UHFFFAOYSA-N 2 2 346.519 3.248 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001733200497 1429305044 /nfs/dbraw/zinc/30/50/44/1429305044.db2.gz QDWOJUONBAIYFY-DLBZAZTESA-N 2 2 334.508 3.058 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001714330201 1419109547 /nfs/dbraw/zinc/10/95/47/1419109547.db2.gz FAEGEOZMIYQCFC-MRXNPFEDSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001714330201 1419109549 /nfs/dbraw/zinc/10/95/49/1419109549.db2.gz FAEGEOZMIYQCFC-MRXNPFEDSA-N 2 2 348.535 3.243 10 0 EGAELP Cc1cccn2cc(CC(=O)N(C)[C@H](C)C[NH2+]CCCC(C)C)[nH+]c12 ZINC001714796507 1419513173 /nfs/dbraw/zinc/51/31/73/1419513173.db2.gz PYFNUMRYOXJHRC-QGZVFWFLSA-N 2 2 344.503 3.058 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001714821769 1419532218 /nfs/dbraw/zinc/53/22/18/1419532218.db2.gz IOHFYGCGKVJQEW-HZPDHXFCSA-N 2 2 342.487 3.193 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715387778 1420084874 /nfs/dbraw/zinc/08/48/74/1420084874.db2.gz LYMJLBQKPMDOPJ-FUHWJXTLSA-N 2 2 342.487 3.211 10 0 EGAELP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCC1 ZINC001715599248 1420264562 /nfs/dbraw/zinc/26/45/62/1420264562.db2.gz VENMNXYESSNYAK-GOSISDBHSA-N 2 2 328.460 3.097 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccsc1 ZINC001715828955 1420359476 /nfs/dbraw/zinc/35/94/76/1420359476.db2.gz QOSKTHLUBNQITI-OAHLLOKOSA-N 2 2 348.516 3.049 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001715828955 1420359480 /nfs/dbraw/zinc/35/94/80/1420359480.db2.gz QOSKTHLUBNQITI-OAHLLOKOSA-N 2 2 348.516 3.049 10 0 EGAELP C[C@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001716404655 1420637823 /nfs/dbraw/zinc/63/78/23/1420637823.db2.gz VIKIIWWEQUNNDF-JSNVTFDYSA-N 2 2 348.450 3.146 10 0 EGAELP CN(CCC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716547053 1420756963 /nfs/dbraw/zinc/75/69/63/1420756963.db2.gz LTZOPFYMNFEOML-IAGOWNOFSA-N 2 2 346.519 3.168 10 0 EGAELP CN(CCC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716547053 1420756966 /nfs/dbraw/zinc/75/69/66/1420756966.db2.gz LTZOPFYMNFEOML-IAGOWNOFSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001716731281 1420889665 /nfs/dbraw/zinc/88/96/65/1420889665.db2.gz LHJBDZOUAROTBE-FQEVSTJZSA-N 2 2 340.471 3.291 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001716731281 1420889668 /nfs/dbraw/zinc/88/96/68/1420889668.db2.gz LHJBDZOUAROTBE-FQEVSTJZSA-N 2 2 340.471 3.291 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001716763415 1420910222 /nfs/dbraw/zinc/91/02/22/1420910222.db2.gz HFMGIIUIEVMCEZ-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001716818485 1420944949 /nfs/dbraw/zinc/94/49/49/1420944949.db2.gz DVEXNZMELQRHEF-LJQANCHMSA-N 2 2 342.487 3.487 10 0 EGAELP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716886980 1421010331 /nfs/dbraw/zinc/01/03/31/1421010331.db2.gz VSYIMKRNVKLCOE-CQSZACIVSA-N 2 2 346.450 3.143 10 0 EGAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001717010741 1421076487 /nfs/dbraw/zinc/07/64/87/1421076487.db2.gz OFPMYINKZJPEGG-CEXWTWQISA-N 2 2 346.519 3.051 10 0 EGAELP CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001717010741 1421076489 /nfs/dbraw/zinc/07/64/89/1421076489.db2.gz OFPMYINKZJPEGG-CEXWTWQISA-N 2 2 346.519 3.051 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(C)C)C2)C1 ZINC001717247071 1421218017 /nfs/dbraw/zinc/21/80/17/1421218017.db2.gz BPARIJVDOHIDSP-FQEVSTJZSA-N 2 2 346.519 3.011 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)C)C2)C1 ZINC001717247071 1421218018 /nfs/dbraw/zinc/21/80/18/1421218018.db2.gz BPARIJVDOHIDSP-FQEVSTJZSA-N 2 2 346.519 3.011 10 0 EGAELP CC(C)(C)CC[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001717270906 1421228590 /nfs/dbraw/zinc/22/85/90/1421228590.db2.gz PQPZPXFSJQUOKJ-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)(C)CC[N@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001717270906 1421228591 /nfs/dbraw/zinc/22/85/91/1421228591.db2.gz PQPZPXFSJQUOKJ-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717416974 1421347872 /nfs/dbraw/zinc/34/78/72/1421347872.db2.gz VHKMCTCQROSULS-LSDHHAIUSA-N 2 2 336.439 3.168 10 0 EGAELP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717448404 1421378295 /nfs/dbraw/zinc/37/82/95/1421378295.db2.gz JAORFKXRFREAAM-WAYWQWQTSA-N 2 2 332.492 3.058 10 0 EGAELP CC(C)(C)CC[N@@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717630507 1421539677 /nfs/dbraw/zinc/53/96/77/1421539677.db2.gz TWNODELHOZVEHN-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)CC[N@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717630507 1421539679 /nfs/dbraw/zinc/53/96/79/1421539679.db2.gz TWNODELHOZVEHN-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001717685696 1421565782 /nfs/dbraw/zinc/56/57/82/1421565782.db2.gz PGWZSVSZUCVHHK-UONOGXRCSA-N 2 2 348.878 3.241 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001718004559 1421771260 /nfs/dbraw/zinc/77/12/60/1421771260.db2.gz WNRABSKBWIXGAT-INIZCTEOSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001718004559 1421771262 /nfs/dbraw/zinc/77/12/62/1421771262.db2.gz WNRABSKBWIXGAT-INIZCTEOSA-N 2 2 346.519 3.139 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733361073 1429545113 /nfs/dbraw/zinc/54/51/13/1429545113.db2.gz KPUHCNZQLVBVBT-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361073 1429545115 /nfs/dbraw/zinc/54/51/15/1429545115.db2.gz KPUHCNZQLVBVBT-LXXRFIIISA-N 2 2 346.519 3.305 10 0 EGAELP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733432410 1429639506 /nfs/dbraw/zinc/63/95/06/1429639506.db2.gz PSNKOYYPUIYFAV-IBGZPJMESA-N 2 2 328.460 3.195 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC1=CCCCC1 ZINC001725003563 1425414155 /nfs/dbraw/zinc/41/41/55/1425414155.db2.gz QUTRBEFPPHKNFL-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC1=CCCCC1 ZINC001725003563 1425414156 /nfs/dbraw/zinc/41/41/56/1425414156.db2.gz QUTRBEFPPHKNFL-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725238865 1425836220 /nfs/dbraw/zinc/83/62/20/1425836220.db2.gz DOVPGITYQWLALH-KZNAEPCWSA-N 2 2 346.519 3.075 10 0 EGAELP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725238865 1425836233 /nfs/dbraw/zinc/83/62/33/1425836233.db2.gz DOVPGITYQWLALH-KZNAEPCWSA-N 2 2 346.519 3.075 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243632 1425855943 /nfs/dbraw/zinc/85/59/43/1425855943.db2.gz YOWHDXBFSZWMLU-OALUTQOASA-N 2 2 349.494 3.010 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243632 1425855951 /nfs/dbraw/zinc/85/59/51/1425855951.db2.gz YOWHDXBFSZWMLU-OALUTQOASA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCF)c1ccccc1 ZINC001725243632 1425855961 /nfs/dbraw/zinc/85/59/61/1425855961.db2.gz YOWHDXBFSZWMLU-OALUTQOASA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCF)c1ccccc1 ZINC001725243632 1425855971 /nfs/dbraw/zinc/85/59/71/1425855971.db2.gz YOWHDXBFSZWMLU-OALUTQOASA-N 2 2 349.494 3.010 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293117 1425939957 /nfs/dbraw/zinc/93/99/57/1425939957.db2.gz XKBPRKCQCOYGMO-JJEJIETFSA-N 2 2 346.519 3.110 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001725293117 1425939960 /nfs/dbraw/zinc/93/99/60/1425939960.db2.gz XKBPRKCQCOYGMO-JJEJIETFSA-N 2 2 346.519 3.110 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001725611451 1426270677 /nfs/dbraw/zinc/27/06/77/1426270677.db2.gz XOCJFNGETKCOKG-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001725611451 1426270680 /nfs/dbraw/zinc/27/06/80/1426270680.db2.gz XOCJFNGETKCOKG-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001725611451 1426270684 /nfs/dbraw/zinc/27/06/84/1426270684.db2.gz XOCJFNGETKCOKG-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001725611451 1426270688 /nfs/dbraw/zinc/27/06/88/1426270688.db2.gz XOCJFNGETKCOKG-QUCCMNQESA-N 2 2 344.503 3.036 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001725666336 1426349382 /nfs/dbraw/zinc/34/93/82/1426349382.db2.gz POFLLXLTWNIESD-KBOKABMXSA-N 2 2 346.519 3.110 10 0 EGAELP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001731569877 1427609818 /nfs/dbraw/zinc/60/98/18/1427609818.db2.gz PSKWGANNZDXRQQ-WWDZGPRUSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC1CCCC1 ZINC001731602599 1427646078 /nfs/dbraw/zinc/64/60/78/1427646078.db2.gz WFWMOPYISHCPOR-CQSZACIVSA-N 2 2 328.460 3.241 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850773 1428078941 /nfs/dbraw/zinc/07/89/41/1428078941.db2.gz QBIABGLJROXTKJ-LAQIPUCWSA-N 2 2 340.471 3.132 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850773 1428078946 /nfs/dbraw/zinc/07/89/46/1428078946.db2.gz QBIABGLJROXTKJ-LAQIPUCWSA-N 2 2 340.471 3.132 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603552 1429812022 /nfs/dbraw/zinc/81/20/22/1429812022.db2.gz ZCVVWYBGFCCEGO-RTBURBONSA-N 2 2 340.471 3.432 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603552 1429812024 /nfs/dbraw/zinc/81/20/24/1429812024.db2.gz ZCVVWYBGFCCEGO-RTBURBONSA-N 2 2 340.471 3.432 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733657906 1429849137 /nfs/dbraw/zinc/84/91/37/1429849137.db2.gz HGKHHQBJEWVHMN-KSSFIOAISA-N 2 2 331.504 3.495 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001733981057 1437778573 /nfs/dbraw/zinc/77/85/73/1437778573.db2.gz HAEIAITUCNWPNH-HUUCEWRRSA-N 2 2 328.460 3.011 10 0 EGAELP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001734117337 1437899365 /nfs/dbraw/zinc/89/93/65/1437899365.db2.gz PYERKTQLYMRZED-YVACAVLKSA-N 2 2 340.471 3.359 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CCC(C)C)C(C)C)ccn12 ZINC001734286084 1438014481 /nfs/dbraw/zinc/01/44/81/1438014481.db2.gz JSVMBRZKUKVFLH-GOSISDBHSA-N 2 2 344.503 3.423 10 0 EGAELP CC(C)C[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)n1cc[nH+]c1 ZINC001734496805 1438132754 /nfs/dbraw/zinc/13/27/54/1438132754.db2.gz SWVKIYKIZZWPPV-ZWKOTPCHSA-N 2 2 346.519 3.097 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001734579412 1438172094 /nfs/dbraw/zinc/17/20/94/1438172094.db2.gz UOYDFNXCQNMJGC-MRXNPFEDSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@H](CC(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001734600327 1438182666 /nfs/dbraw/zinc/18/26/66/1438182666.db2.gz DWMGQSLRBNZCTN-IPJUCJBFSA-N 2 2 346.519 3.384 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946277 1440118816 /nfs/dbraw/zinc/11/88/16/1440118816.db2.gz ZBUGNFLTUBBVIZ-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946277 1440118817 /nfs/dbraw/zinc/11/88/17/1440118817.db2.gz ZBUGNFLTUBBVIZ-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946277 1440118819 /nfs/dbraw/zinc/11/88/19/1440118819.db2.gz ZBUGNFLTUBBVIZ-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946277 1440118820 /nfs/dbraw/zinc/11/88/20/1440118820.db2.gz ZBUGNFLTUBBVIZ-SJORKVTESA-N 2 2 348.535 3.385 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]CC2CC(c3ccccc3)C2)CC1 ZINC000368290059 168338471 /nfs/dbraw/zinc/33/84/71/168338471.db2.gz BQXQRFICFPLLOJ-UHFFFAOYSA-N 2 2 344.499 3.187 10 0 EGAELP Cc1cccc([C@@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000173683203 231004499 /nfs/dbraw/zinc/00/44/99/231004499.db2.gz VDYVJFVJAPDMHH-GOSISDBHSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1cccc([C@@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000173683203 231004502 /nfs/dbraw/zinc/00/45/02/231004502.db2.gz VDYVJFVJAPDMHH-GOSISDBHSA-N 2 2 326.488 3.349 10 0 EGAELP CC[NH+](CC)Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)c(C)o1 ZINC000067641377 215172833 /nfs/dbraw/zinc/17/28/33/215172833.db2.gz OIDQYZKCLIRZHB-UHFFFAOYSA-N 2 2 330.432 3.215 10 0 EGAELP COc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1OC ZINC000110113584 220016758 /nfs/dbraw/zinc/01/67/58/220016758.db2.gz FWRNQBXZZAKGMZ-OAHLLOKOSA-N 2 2 342.443 3.086 10 0 EGAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246906921 296245930 /nfs/dbraw/zinc/24/59/30/296245930.db2.gz KDTWHMLNARDOPG-DLBZAZTESA-N 2 2 348.535 3.135 10 0 EGAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246906921 296245932 /nfs/dbraw/zinc/24/59/32/296245932.db2.gz KDTWHMLNARDOPG-DLBZAZTESA-N 2 2 348.535 3.135 10 0 EGAELP CC(C)c1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000377717850 169067773 /nfs/dbraw/zinc/06/77/73/169067773.db2.gz OHUZBMHWTPZQPS-SJPCQFCGSA-N 2 2 348.560 3.009 10 0 EGAELP CC(C)c1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000377717850 169067775 /nfs/dbraw/zinc/06/77/75/169067775.db2.gz OHUZBMHWTPZQPS-SJPCQFCGSA-N 2 2 348.560 3.009 10 0 EGAELP O[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000012386360 211365111 /nfs/dbraw/zinc/36/51/11/211365111.db2.gz WAQHTBBCUQJOQQ-WOJBJXKFSA-N 2 2 339.483 3.046 10 0 EGAELP O[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000012386360 211365115 /nfs/dbraw/zinc/36/51/15/211365115.db2.gz WAQHTBBCUQJOQQ-WOJBJXKFSA-N 2 2 339.483 3.046 10 0 EGAELP CCCn1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812435 218171109 /nfs/dbraw/zinc/17/11/09/218171109.db2.gz IOIOEIOMBIFYET-QGZVFWFLSA-N 2 2 327.476 3.239 10 0 EGAELP CCCn1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812435 218171111 /nfs/dbraw/zinc/17/11/11/218171111.db2.gz IOIOEIOMBIFYET-QGZVFWFLSA-N 2 2 327.476 3.239 10 0 EGAELP COc1cc(C)c(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000095409298 218345603 /nfs/dbraw/zinc/34/56/03/218345603.db2.gz WKHCHLRMQDXUMR-UHFFFAOYSA-N 2 2 337.423 3.488 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328641253 258023397 /nfs/dbraw/zinc/02/33/97/258023397.db2.gz QNAWDSPZJUHLJJ-XKGZKEIXSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328641253 258023399 /nfs/dbraw/zinc/02/33/99/258023399.db2.gz QNAWDSPZJUHLJJ-XKGZKEIXSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328641253 258023400 /nfs/dbraw/zinc/02/34/00/258023400.db2.gz QNAWDSPZJUHLJJ-XKGZKEIXSA-N 2 2 326.488 3.496 10 0 EGAELP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328641253 258023401 /nfs/dbraw/zinc/02/34/01/258023401.db2.gz QNAWDSPZJUHLJJ-XKGZKEIXSA-N 2 2 326.488 3.496 10 0 EGAELP Brc1cncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000236587612 258006111 /nfs/dbraw/zinc/00/61/11/258006111.db2.gz CTOKAAYPYXXEDD-CYBMUJFWSA-N 2 2 347.260 3.173 10 0 EGAELP Brc1cncc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000236587612 258006112 /nfs/dbraw/zinc/00/61/12/258006112.db2.gz CTOKAAYPYXXEDD-CYBMUJFWSA-N 2 2 347.260 3.173 10 0 EGAELP Cc1csc(C[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)n1 ZINC000328656991 258018569 /nfs/dbraw/zinc/01/85/69/258018569.db2.gz ZWNNEUTWQYYNKJ-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)n1 ZINC000328656991 258018571 /nfs/dbraw/zinc/01/85/71/258018571.db2.gz ZWNNEUTWQYYNKJ-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)n1 ZINC000328656991 258018573 /nfs/dbraw/zinc/01/85/73/258018573.db2.gz ZWNNEUTWQYYNKJ-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP Cc1csc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)n1 ZINC000328656991 258018575 /nfs/dbraw/zinc/01/85/75/258018575.db2.gz ZWNNEUTWQYYNKJ-QGZVFWFLSA-N 2 2 330.501 3.333 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000246850115 141038747 /nfs/dbraw/zinc/03/87/47/141038747.db2.gz BZAOOGBQEFFYOO-PKOFMYQESA-N 2 2 343.515 3.085 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000246850115 141038749 /nfs/dbraw/zinc/03/87/49/141038749.db2.gz BZAOOGBQEFFYOO-PKOFMYQESA-N 2 2 343.515 3.085 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903608 141042621 /nfs/dbraw/zinc/04/26/21/141042621.db2.gz ROMSYJASGGFIBG-LIRRHRJNSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903608 141042622 /nfs/dbraw/zinc/04/26/22/141042622.db2.gz ROMSYJASGGFIBG-LIRRHRJNSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903608 141042623 /nfs/dbraw/zinc/04/26/23/141042623.db2.gz ROMSYJASGGFIBG-LIRRHRJNSA-N 2 2 346.446 3.141 10 0 EGAELP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246903608 141042624 /nfs/dbraw/zinc/04/26/24/141042624.db2.gz ROMSYJASGGFIBG-LIRRHRJNSA-N 2 2 346.446 3.141 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462279 141200046 /nfs/dbraw/zinc/20/00/46/141200046.db2.gz OTWQRMKZKLLZGC-IFXJQAMLSA-N 2 2 331.410 3.381 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462279 141200048 /nfs/dbraw/zinc/20/00/48/141200048.db2.gz OTWQRMKZKLLZGC-IFXJQAMLSA-N 2 2 331.410 3.381 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907589 141213664 /nfs/dbraw/zinc/21/36/64/141213664.db2.gz FLQAFTMMKBHDJM-WMLDXEAASA-N 2 2 329.444 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907589 141213665 /nfs/dbraw/zinc/21/36/65/141213665.db2.gz FLQAFTMMKBHDJM-WMLDXEAASA-N 2 2 329.444 3.292 10 0 EGAELP Cc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728398 141263300 /nfs/dbraw/zinc/26/33/00/141263300.db2.gz INJYMOUETNDEDL-BFYDXBDKSA-N 2 2 339.487 3.047 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000171600022 144007551 /nfs/dbraw/zinc/00/75/51/144007551.db2.gz PSVLBNXPUURZDJ-UHFFFAOYSA-N 2 2 349.482 3.120 10 0 EGAELP CC[NH+](CC)C[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000172786344 144028451 /nfs/dbraw/zinc/02/84/51/144028451.db2.gz DCWTVOLIHLRTNO-INIZCTEOSA-N 2 2 325.460 3.015 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)cc[nH+]1 ZINC000184763293 144098636 /nfs/dbraw/zinc/09/86/36/144098636.db2.gz RFJORRPUCHNOFW-OAHLLOKOSA-N 2 2 328.435 3.067 10 0 EGAELP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186550603 144137096 /nfs/dbraw/zinc/13/70/96/144137096.db2.gz OFQAFHAIVCBKIE-INIZCTEOSA-N 2 2 337.423 3.231 10 0 EGAELP Cc1nc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cs1 ZINC000116261328 152052460 /nfs/dbraw/zinc/05/24/60/152052460.db2.gz DXEBVEVVIGECLG-UHFFFAOYSA-N 2 2 343.500 3.140 10 0 EGAELP Cc1nc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cs1 ZINC000116261328 152052462 /nfs/dbraw/zinc/05/24/62/152052462.db2.gz DXEBVEVVIGECLG-UHFFFAOYSA-N 2 2 343.500 3.140 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000189122641 153052055 /nfs/dbraw/zinc/05/20/55/153052055.db2.gz PCJPVWSHUZYXJS-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000189122641 153052059 /nfs/dbraw/zinc/05/20/59/153052059.db2.gz PCJPVWSHUZYXJS-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310231136 154143190 /nfs/dbraw/zinc/14/31/90/154143190.db2.gz JPOWVMDMTZRELA-YESZJQIVSA-N 2 2 344.890 3.074 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310231136 154143193 /nfs/dbraw/zinc/14/31/93/154143193.db2.gz JPOWVMDMTZRELA-YESZJQIVSA-N 2 2 344.890 3.074 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453714 154360623 /nfs/dbraw/zinc/36/06/23/154360623.db2.gz VPCKWFKRXDUUNC-PKOBYXMFSA-N 2 2 331.504 3.340 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000337453714 154360626 /nfs/dbraw/zinc/36/06/26/154360626.db2.gz VPCKWFKRXDUUNC-PKOBYXMFSA-N 2 2 331.504 3.340 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C/C=C\c3ccccc3)CCC[NH+]2C)cn1 ZINC000341040602 155127688 /nfs/dbraw/zinc/12/76/88/155127688.db2.gz XPIOICSHRWMBEP-JRQDYBSLSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C/C=C\c3ccccc3)CCC[NH+]2C)cn1 ZINC000341040602 155127690 /nfs/dbraw/zinc/12/76/90/155127690.db2.gz XPIOICSHRWMBEP-JRQDYBSLSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C/C=C\c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000341040602 155127692 /nfs/dbraw/zinc/12/76/92/155127692.db2.gz XPIOICSHRWMBEP-JRQDYBSLSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C/C=C\c3ccccc3)CCC[N@H+]2C)cn1 ZINC000341040602 155127693 /nfs/dbraw/zinc/12/76/93/155127693.db2.gz XPIOICSHRWMBEP-JRQDYBSLSA-N 2 2 338.499 3.448 10 0 EGAELP CC(C)Oc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754210 162111669 /nfs/dbraw/zinc/11/16/69/162111669.db2.gz DFYJDLMMGAKSFA-HXUWFJFHSA-N 2 2 345.531 3.076 10 0 EGAELP CC(C)Oc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754210 162111671 /nfs/dbraw/zinc/11/16/71/162111671.db2.gz DFYJDLMMGAKSFA-HXUWFJFHSA-N 2 2 345.531 3.076 10 0 EGAELP Cc1ccccc1-c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)no1 ZINC000129471524 162357660 /nfs/dbraw/zinc/35/76/60/162357660.db2.gz ZDZCTPLQBVGHRZ-UHFFFAOYSA-N 2 2 328.460 3.209 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589987 163018563 /nfs/dbraw/zinc/01/85/63/163018563.db2.gz ZDBCAGRFPYTNSU-XJKSGUPXSA-N 2 2 333.501 3.467 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589987 163018564 /nfs/dbraw/zinc/01/85/64/163018564.db2.gz ZDBCAGRFPYTNSU-XJKSGUPXSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589987 163018565 /nfs/dbraw/zinc/01/85/65/163018565.db2.gz ZDBCAGRFPYTNSU-XJKSGUPXSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000248589987 163018567 /nfs/dbraw/zinc/01/85/67/163018567.db2.gz ZDBCAGRFPYTNSU-XJKSGUPXSA-N 2 2 333.501 3.467 10 0 EGAELP CC[NH+](CC)CCC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343959929 164073071 /nfs/dbraw/zinc/07/30/71/164073071.db2.gz HGSUOPZKYKKRPR-UHFFFAOYSA-N 2 2 332.517 3.150 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C4CC4)C3)c2cc1C ZINC000344029949 164086698 /nfs/dbraw/zinc/08/66/98/164086698.db2.gz BEFYSXUBICXACE-ZWKOTPCHSA-N 2 2 327.472 3.136 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C4CC4)C3)c2cc1C ZINC000344029949 164086701 /nfs/dbraw/zinc/08/67/01/164086701.db2.gz BEFYSXUBICXACE-ZWKOTPCHSA-N 2 2 327.472 3.136 10 0 EGAELP CC(C)[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000345697196 164246763 /nfs/dbraw/zinc/24/67/63/164246763.db2.gz QKNQBMHJNOCVOS-LJQANCHMSA-N 2 2 340.471 3.103 10 0 EGAELP OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161190 164353444 /nfs/dbraw/zinc/35/34/44/164353444.db2.gz DWCITQYZMDXHJG-SFHVURJKSA-N 2 2 325.437 3.026 10 0 EGAELP OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161190 164353448 /nfs/dbraw/zinc/35/34/48/164353448.db2.gz DWCITQYZMDXHJG-SFHVURJKSA-N 2 2 325.437 3.026 10 0 EGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169700 164355691 /nfs/dbraw/zinc/35/56/91/164355691.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169700 164355692 /nfs/dbraw/zinc/35/56/92/164355692.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169700 164355693 /nfs/dbraw/zinc/35/56/93/164355693.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 3 2 342.512 3.383 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c[nH+]1 ZINC000346169700 164355694 /nfs/dbraw/zinc/35/56/94/164355694.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 3 2 342.512 3.383 10 0 EGAELP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346184505 164359117 /nfs/dbraw/zinc/35/91/17/164359117.db2.gz UJPRXVLMXZWYQR-HNNXBMFYSA-N 2 2 346.500 3.062 10 0 EGAELP CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346184505 164359119 /nfs/dbraw/zinc/35/91/19/164359119.db2.gz UJPRXVLMXZWYQR-HNNXBMFYSA-N 2 2 346.500 3.062 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000346231748 164360873 /nfs/dbraw/zinc/36/08/73/164360873.db2.gz YHNQQHNPTSBDTJ-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000346231748 164360874 /nfs/dbraw/zinc/36/08/74/164360874.db2.gz YHNQQHNPTSBDTJ-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP c1cn(-c2cccc(-c3noc(-c4ccc5c[nH+]cn5c4)n3)c2)c[nH+]1 ZINC000346383217 164378205 /nfs/dbraw/zinc/37/82/05/164378205.db2.gz GVUMVNNQVOUZJE-UHFFFAOYSA-N 2 2 328.335 3.237 10 0 EGAELP C[NH+](C)CC1(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000355056301 166095368 /nfs/dbraw/zinc/09/53/68/166095368.db2.gz DLIUGIUTUOKFFT-LJQANCHMSA-N 2 2 342.462 3.417 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355261628 166149427 /nfs/dbraw/zinc/14/94/27/166149427.db2.gz DRTNZHWPBMHOHL-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355261628 166149431 /nfs/dbraw/zinc/14/94/31/166149431.db2.gz DRTNZHWPBMHOHL-WMLDXEAASA-N 2 2 339.468 3.485 10 0 EGAELP COCCc1nc(C)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000366429635 168120589 /nfs/dbraw/zinc/12/05/89/168120589.db2.gz GVGVJEBMMQQLKH-JEYLPNPQSA-N 2 2 337.533 3.308 10 0 EGAELP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367258190 168199420 /nfs/dbraw/zinc/19/94/20/168199420.db2.gz PBUPKRTUIYUXIB-IAGOWNOFSA-N 2 2 336.842 3.101 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000122886029 222177406 /nfs/dbraw/zinc/17/74/06/222177406.db2.gz CVGRCCDTJYDFAG-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000122886029 222177410 /nfs/dbraw/zinc/17/74/10/222177410.db2.gz CVGRCCDTJYDFAG-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000122900693 222179627 /nfs/dbraw/zinc/17/96/27/222179627.db2.gz QOWDEDWLQSHJRG-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000122900693 222179629 /nfs/dbraw/zinc/17/96/29/222179629.db2.gz QOWDEDWLQSHJRG-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020520 266084030 /nfs/dbraw/zinc/08/40/30/266084030.db2.gz DYONUIPBEWJDRT-DGCLKSJQSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020520 266084035 /nfs/dbraw/zinc/08/40/35/266084035.db2.gz DYONUIPBEWJDRT-DGCLKSJQSA-N 2 2 347.322 3.272 10 0 EGAELP Cc1nc(F)ccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000278505397 268026932 /nfs/dbraw/zinc/02/69/32/268026932.db2.gz ODTJJUBFUSBNTD-OAHLLOKOSA-N 2 2 328.435 3.239 10 0 EGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(N[C@H]3CCOc4ccccc43)c12 ZINC000178857807 275077748 /nfs/dbraw/zinc/07/77/48/275077748.db2.gz MDQTYLLPNUJHMT-INIZCTEOSA-N 2 2 344.378 3.146 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000279217977 275313516 /nfs/dbraw/zinc/31/35/16/275313516.db2.gz ONHXBDPVYSFTKG-JSGCOSHPSA-N 2 2 326.444 3.120 10 0 EGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000279217977 275313518 /nfs/dbraw/zinc/31/35/18/275313518.db2.gz ONHXBDPVYSFTKG-JSGCOSHPSA-N 2 2 326.444 3.120 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687808 275350003 /nfs/dbraw/zinc/35/00/03/275350003.db2.gz BJBILYXMTASUIU-DYESRHJHSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687808 275350004 /nfs/dbraw/zinc/35/00/04/275350004.db2.gz BJBILYXMTASUIU-DYESRHJHSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687808 275350006 /nfs/dbraw/zinc/35/00/06/275350006.db2.gz BJBILYXMTASUIU-DYESRHJHSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687808 275350008 /nfs/dbraw/zinc/35/00/08/275350008.db2.gz BJBILYXMTASUIU-DYESRHJHSA-N 2 2 336.483 3.321 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000284372651 275795456 /nfs/dbraw/zinc/79/54/56/275795456.db2.gz OHJNGLOAHSNUSB-JEDBISTDSA-N 2 2 334.529 3.214 10 0 EGAELP Cc1cc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cc(C)no4)C3)C2)on1 ZINC000289489122 276346727 /nfs/dbraw/zinc/34/67/27/276346727.db2.gz OWDSTRHSRWISOZ-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP Cc1cc(C[NH+]2CCCC3(CCC[N@H+](Cc4cc(C)no4)C3)C2)on1 ZINC000289489122 276346729 /nfs/dbraw/zinc/34/67/29/276346729.db2.gz OWDSTRHSRWISOZ-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP CCCNC(=O)CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000414157133 309063838 /nfs/dbraw/zinc/06/38/38/309063838.db2.gz RGVMAIKUZIFAGW-IBGZPJMESA-N 2 2 342.487 3.137 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000414334595 309073555 /nfs/dbraw/zinc/07/35/55/309073555.db2.gz XLFCSOMLQVNGII-ZDUSSCGKSA-N 2 2 346.500 3.207 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394900 309077519 /nfs/dbraw/zinc/07/75/19/309077519.db2.gz JBTGEPNBHWPBQQ-FOIQADDNSA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394900 309077520 /nfs/dbraw/zinc/07/75/20/309077520.db2.gz JBTGEPNBHWPBQQ-FOIQADDNSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394900 309077521 /nfs/dbraw/zinc/07/75/21/309077521.db2.gz JBTGEPNBHWPBQQ-FOIQADDNSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394900 309077522 /nfs/dbraw/zinc/07/75/22/309077522.db2.gz JBTGEPNBHWPBQQ-FOIQADDNSA-N 2 2 344.478 3.482 10 0 EGAELP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000294966280 308277074 /nfs/dbraw/zinc/27/70/74/308277074.db2.gz LIHGMZIBNRMWSF-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](O)C(F)F ZINC000295107027 308292209 /nfs/dbraw/zinc/29/22/09/308292209.db2.gz ULNBYHMALZKSJC-CVEARBPZSA-N 2 2 346.849 3.299 10 0 EGAELP CC(C)(C)[NH2+]CC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000414754652 309098921 /nfs/dbraw/zinc/09/89/21/309098921.db2.gz YCSXHTNQDDNPMW-KRWDZBQOSA-N 2 2 349.906 3.476 10 0 EGAELP CCOc1c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)nn1CC(C)C ZINC000414836989 309104607 /nfs/dbraw/zinc/10/46/07/309104607.db2.gz TWTSXRFESCAAFW-SFHVURJKSA-N 2 2 330.476 3.036 10 0 EGAELP C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@@H+]1C ZINC000413165774 309019166 /nfs/dbraw/zinc/01/91/66/309019166.db2.gz SPTWAUHZQHVAKC-RISCZKNCSA-N 2 2 334.261 3.314 10 0 EGAELP C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CC[N@H+]1C ZINC000413165774 309019167 /nfs/dbraw/zinc/01/91/67/309019167.db2.gz SPTWAUHZQHVAKC-RISCZKNCSA-N 2 2 334.261 3.314 10 0 EGAELP C[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414931559 309109767 /nfs/dbraw/zinc/10/97/67/309109767.db2.gz QNKVWILMGZQQOJ-SECBINFHSA-N 2 2 326.263 3.009 10 0 EGAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000415063224 309117706 /nfs/dbraw/zinc/11/77/06/309117706.db2.gz HFRIFJWIWYXFIX-HNAYVOBHSA-N 2 2 342.483 3.487 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415137937 309123158 /nfs/dbraw/zinc/12/31/58/309123158.db2.gz UMVODKBMQKTMGT-OAHLLOKOSA-N 3 2 343.437 3.301 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420401715 309286444 /nfs/dbraw/zinc/28/64/44/309286444.db2.gz PUZVXIDGWPLJTH-QZTJIDSGSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420401715 309286445 /nfs/dbraw/zinc/28/64/45/309286445.db2.gz PUZVXIDGWPLJTH-QZTJIDSGSA-N 2 2 329.488 3.014 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422705137 309363824 /nfs/dbraw/zinc/36/38/24/309363824.db2.gz QYQCHCZYESQRNT-AABGKKOBSA-N 2 2 332.488 3.019 10 0 EGAELP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422705230 309363971 /nfs/dbraw/zinc/36/39/71/309363971.db2.gz BNHCKQITDBSGGU-ROUUACIJSA-N 2 2 327.403 3.047 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422805194 309369366 /nfs/dbraw/zinc/36/93/66/309369366.db2.gz IRWYESQNSOKMGH-ZJOUEHCJSA-N 2 2 338.451 3.082 10 0 EGAELP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422866619 309372708 /nfs/dbraw/zinc/37/27/08/309372708.db2.gz QYOKVYGYIYWBEA-OAHLLOKOSA-N 2 2 329.444 3.069 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1c[nH+]ccc1N ZINC000422887245 309374330 /nfs/dbraw/zinc/37/43/30/309374330.db2.gz ARCMEANEDQAWOD-OAHLLOKOSA-N 2 2 325.460 3.120 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021081 309381380 /nfs/dbraw/zinc/38/13/80/309381380.db2.gz DGWOPURFFYKFPM-WCIQWLHISA-N 2 2 343.421 3.444 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021081 309381381 /nfs/dbraw/zinc/38/13/81/309381381.db2.gz DGWOPURFFYKFPM-WCIQWLHISA-N 2 2 343.421 3.444 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423232714 309391533 /nfs/dbraw/zinc/39/15/33/309391533.db2.gz CQZBUCMUCKXXDA-JLTOFOAXSA-N 3 2 326.488 3.323 10 0 EGAELP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423272092 309393430 /nfs/dbraw/zinc/39/34/30/309393430.db2.gz YJTIMFXELUHASZ-UGSOOPFHSA-N 2 2 347.894 3.479 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427440653 309529117 /nfs/dbraw/zinc/52/91/17/309529117.db2.gz ZDLYWXPIJGMUOR-UHFFFAOYSA-N 2 2 348.535 3.196 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397808 310058818 /nfs/dbraw/zinc/05/88/18/310058818.db2.gz RQONKOCQEIWOHQ-NEWSRXKRSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397808 310058819 /nfs/dbraw/zinc/05/88/19/310058819.db2.gz RQONKOCQEIWOHQ-NEWSRXKRSA-N 2 2 336.907 3.413 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450493323 310126132 /nfs/dbraw/zinc/12/61/32/310126132.db2.gz BKMZLOUQAPODKL-KRWDZBQOSA-N 2 2 345.535 3.165 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450493323 310126133 /nfs/dbraw/zinc/12/61/33/310126133.db2.gz BKMZLOUQAPODKL-KRWDZBQOSA-N 2 2 345.535 3.165 10 0 EGAELP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000450686705 310137159 /nfs/dbraw/zinc/13/71/59/310137159.db2.gz DADWXSQTKIRTFB-QGZVFWFLSA-N 2 2 335.455 3.050 10 0 EGAELP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000450686705 310137160 /nfs/dbraw/zinc/13/71/60/310137160.db2.gz DADWXSQTKIRTFB-QGZVFWFLSA-N 2 2 335.455 3.050 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078333 310256434 /nfs/dbraw/zinc/25/64/34/310256434.db2.gz CLHJXUFBZJPYSN-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078333 310256435 /nfs/dbraw/zinc/25/64/35/310256435.db2.gz CLHJXUFBZJPYSN-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCOCC1 ZINC000453113226 310258882 /nfs/dbraw/zinc/25/88/82/310258882.db2.gz QZKLYUKIISRAHL-MJGOQNOKSA-N 2 2 338.536 3.205 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CCOCC1 ZINC000453113226 310258883 /nfs/dbraw/zinc/25/88/83/310258883.db2.gz QZKLYUKIISRAHL-MJGOQNOKSA-N 2 2 338.536 3.205 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2cnccn2)c(C)c1 ZINC000453162049 310261559 /nfs/dbraw/zinc/26/15/59/310261559.db2.gz BSLQPCZQFYIYGT-YLJYHZDGSA-N 2 2 335.455 3.252 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)Cc1ccccc1 ZINC000462784009 310605532 /nfs/dbraw/zinc/60/55/32/310605532.db2.gz ZRSVRBBIURGWMV-NCYKPQTJSA-N 2 2 330.516 3.344 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058161 311162209 /nfs/dbraw/zinc/16/22/09/311162209.db2.gz NVTPRIFREAJBQG-GBESFXJTSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058161 311162211 /nfs/dbraw/zinc/16/22/11/311162211.db2.gz NVTPRIFREAJBQG-GBESFXJTSA-N 2 2 337.552 3.268 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657186 312122609 /nfs/dbraw/zinc/12/26/09/312122609.db2.gz IVTTWHNGRZLFOJ-OALUTQOASA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657186 312122610 /nfs/dbraw/zinc/12/26/10/312122610.db2.gz IVTTWHNGRZLFOJ-OALUTQOASA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509657186 312122611 /nfs/dbraw/zinc/12/26/11/312122611.db2.gz IVTTWHNGRZLFOJ-OALUTQOASA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657186 312122612 /nfs/dbraw/zinc/12/26/12/312122612.db2.gz IVTTWHNGRZLFOJ-OALUTQOASA-N 2 2 332.488 3.028 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510653654 312145744 /nfs/dbraw/zinc/14/57/44/312145744.db2.gz SPWYXJNBHBSKGE-RTWAWAEBSA-N 2 2 327.516 3.367 10 0 EGAELP OCc1ccc(F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000528444180 313095324 /nfs/dbraw/zinc/09/53/24/313095324.db2.gz VZQWQCQBHSOAJK-UHFFFAOYSA-N 2 2 331.435 3.207 10 0 EGAELP CCOc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)cc1OC ZINC000529532015 313346108 /nfs/dbraw/zinc/34/61/08/313346108.db2.gz GXBRORBERTVQRM-UHFFFAOYSA-N 2 2 333.407 3.336 10 0 EGAELP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OCC(F)(F)F ZINC000530243980 313504913 /nfs/dbraw/zinc/50/49/13/313504913.db2.gz JWKJERIXRNNYPE-HNNXBMFYSA-N 2 2 344.377 3.011 10 0 EGAELP CCn1c2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536695755 314139146 /nfs/dbraw/zinc/13/91/46/314139146.db2.gz CSMCCYPQIZZTKD-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536695755 314139149 /nfs/dbraw/zinc/13/91/49/314139149.db2.gz CSMCCYPQIZZTKD-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000536695755 314139151 /nfs/dbraw/zinc/13/91/51/314139151.db2.gz CSMCCYPQIZZTKD-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP CCn1c2ccccc2nc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000536695755 314139154 /nfs/dbraw/zinc/13/91/54/314139154.db2.gz CSMCCYPQIZZTKD-QGZVFWFLSA-N 2 2 326.488 3.220 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806664 314340225 /nfs/dbraw/zinc/34/02/25/314340225.db2.gz WYXNDXQHTPBYDF-WMLDXEAASA-N 2 2 335.455 3.011 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806664 314340228 /nfs/dbraw/zinc/34/02/28/314340228.db2.gz WYXNDXQHTPBYDF-WMLDXEAASA-N 2 2 335.455 3.011 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000539838230 314344257 /nfs/dbraw/zinc/34/42/57/314344257.db2.gz JHZYPOSOOVNTIV-DAYGRLMNSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000539838230 314344259 /nfs/dbraw/zinc/34/42/59/314344259.db2.gz JHZYPOSOOVNTIV-DAYGRLMNSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000539838230 314344261 /nfs/dbraw/zinc/34/42/61/314344261.db2.gz JHZYPOSOOVNTIV-DAYGRLMNSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000539838230 314344263 /nfs/dbraw/zinc/34/42/63/314344263.db2.gz JHZYPOSOOVNTIV-DAYGRLMNSA-N 2 2 332.488 3.181 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H](C)C1CCCCC1 ZINC000543086288 314603058 /nfs/dbraw/zinc/60/30/58/314603058.db2.gz AZUUCXLWVPIZRR-SOLBZPMBSA-N 2 2 346.519 3.106 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000551267691 315147267 /nfs/dbraw/zinc/14/72/67/315147267.db2.gz SMKCOFIVSINUEG-MRXNPFEDSA-N 2 2 335.455 3.045 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000555586174 315392300 /nfs/dbraw/zinc/39/23/00/315392300.db2.gz HSWFVYUHESSCPX-CHWSQXEVSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000555586174 315392302 /nfs/dbraw/zinc/39/23/02/315392302.db2.gz HSWFVYUHESSCPX-CHWSQXEVSA-N 2 2 346.272 3.177 10 0 EGAELP c1ccc(OCCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000564350882 316141880 /nfs/dbraw/zinc/14/18/80/316141880.db2.gz UEDPZQMTIZLMIW-LJQANCHMSA-N 2 2 332.488 3.032 10 0 EGAELP c1ccc(OCCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000564350882 316141884 /nfs/dbraw/zinc/14/18/84/316141884.db2.gz UEDPZQMTIZLMIW-LJQANCHMSA-N 2 2 332.488 3.032 10 0 EGAELP Cc1cccn2c(C[NH2+]C[C@H]3CSc4ccccc4O3)c[nH+]c12 ZINC000566217541 316437224 /nfs/dbraw/zinc/43/72/24/316437224.db2.gz SGFBZUFORLYURP-HNNXBMFYSA-N 2 2 325.437 3.286 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570249975 317027789 /nfs/dbraw/zinc/02/77/89/317027789.db2.gz JVGCEFAACQABEM-HNNXBMFYSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570249975 317027794 /nfs/dbraw/zinc/02/77/94/317027794.db2.gz JVGCEFAACQABEM-HNNXBMFYSA-N 2 2 341.846 3.204 10 0 EGAELP COCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000571289438 317178850 /nfs/dbraw/zinc/17/88/50/317178850.db2.gz BKTYYXLEPMJEQJ-CYBMUJFWSA-N 2 2 341.293 3.211 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980316 324277647 /nfs/dbraw/zinc/27/76/47/324277647.db2.gz MZCAINJNCCGMFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980316 324277653 /nfs/dbraw/zinc/27/76/53/324277653.db2.gz MZCAINJNCCGMFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980316 324277656 /nfs/dbraw/zinc/27/76/56/324277656.db2.gz MZCAINJNCCGMFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3Br)CC[C@H]21 ZINC000388980316 324277661 /nfs/dbraw/zinc/27/76/61/324277661.db2.gz MZCAINJNCCGMFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389946978 324281062 /nfs/dbraw/zinc/28/10/62/324281062.db2.gz QWLGEWNOIAJZBW-MJGOQNOKSA-N 2 2 326.488 3.332 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000580533734 325263747 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10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000180720321 455234479 /nfs/dbraw/zinc/23/44/79/455234479.db2.gz CFHCCYSCDRXPBK-APWZRJJASA-N 2 2 335.455 3.367 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000180920895 455263776 /nfs/dbraw/zinc/26/37/76/455263776.db2.gz KJAHYKKQJROBPU-LBPRGKRZSA-N 2 2 338.249 3.080 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190444975 455319025 /nfs/dbraw/zinc/31/90/25/455319025.db2.gz QEIDDBUZONCSJO-AWEZNQCLSA-N 2 2 343.500 3.077 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190444975 455319027 /nfs/dbraw/zinc/31/90/27/455319027.db2.gz QEIDDBUZONCSJO-AWEZNQCLSA-N 2 2 343.500 3.077 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000600712276 460575079 /nfs/dbraw/zinc/57/50/79/460575079.db2.gz WOQUYUIZCMMJFD-KURKYZTESA-N 2 2 328.456 3.042 10 0 EGAELP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265508189 455336566 /nfs/dbraw/zinc/33/65/66/455336566.db2.gz QQASSMGLYGVWPK-CQSZACIVSA-N 2 2 326.444 3.179 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511865 460589954 /nfs/dbraw/zinc/58/99/54/460589954.db2.gz JPMGDYNBYFPVTG-GXTWGEPZSA-N 2 2 346.393 3.081 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511865 460589960 /nfs/dbraw/zinc/58/99/60/460589960.db2.gz JPMGDYNBYFPVTG-GXTWGEPZSA-N 2 2 346.393 3.081 10 0 EGAELP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885652 460587999 /nfs/dbraw/zinc/58/79/99/460587999.db2.gz AKNZZUSRHLVSCF-HOCLYGCPSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885652 460588004 /nfs/dbraw/zinc/58/80/04/460588004.db2.gz AKNZZUSRHLVSCF-HOCLYGCPSA-N 2 2 346.862 3.006 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679772 455354404 /nfs/dbraw/zinc/35/44/04/455354404.db2.gz IQBNEOWUVRWBKG-JTIOYYDXSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679772 455354408 /nfs/dbraw/zinc/35/44/08/455354408.db2.gz IQBNEOWUVRWBKG-JTIOYYDXSA-N 2 2 339.527 3.397 10 0 EGAELP Cc1cc(C)c(C(N)=O)c(NC[C@@H](c2cccs2)[NH+]2CCCC2)[nH+]1 ZINC000012769022 453401301 /nfs/dbraw/zinc/40/13/01/453401301.db2.gz LKHMMWYTWLLJMY-AWEZNQCLSA-N 2 2 344.484 3.108 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cncn2)cc1 ZINC000025365063 453768620 /nfs/dbraw/zinc/76/86/20/453768620.db2.gz CQWWMIWQDOFEPP-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP CC(=O)N1CCC([N@H+](C)CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000032592810 453879297 /nfs/dbraw/zinc/87/92/97/453879297.db2.gz RYWPJYXJGMTAKP-UHFFFAOYSA-N 2 2 335.536 3.118 10 0 EGAELP CC(=O)N1CCC([N@@H+](C)CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000032592810 453879298 /nfs/dbraw/zinc/87/92/98/453879298.db2.gz RYWPJYXJGMTAKP-UHFFFAOYSA-N 2 2 335.536 3.118 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000076003526 453947838 /nfs/dbraw/zinc/94/78/38/453947838.db2.gz ALGYBUADGRVWIE-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000076003526 453947840 /nfs/dbraw/zinc/94/78/40/453947840.db2.gz ALGYBUADGRVWIE-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nnc2n1CCCCC2 ZINC000043926450 454083352 /nfs/dbraw/zinc/08/33/52/454083352.db2.gz LAXOAWONHOPMDW-OAHLLOKOSA-N 2 2 336.443 3.041 10 0 EGAELP C[C@H](c1ccccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119504797 454199897 /nfs/dbraw/zinc/19/98/97/454199897.db2.gz YRFFYGLJSJFEFM-HRBLRVMOSA-N 2 2 331.479 3.130 10 0 EGAELP C[C@H](c1ccccc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119504797 454199900 /nfs/dbraw/zinc/19/99/00/454199900.db2.gz YRFFYGLJSJFEFM-HRBLRVMOSA-N 2 2 331.479 3.130 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000130789670 454217682 /nfs/dbraw/zinc/21/76/82/454217682.db2.gz HQDCZBFGMLVWGB-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000130789670 454217684 /nfs/dbraw/zinc/21/76/84/454217684.db2.gz HQDCZBFGMLVWGB-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000120363063 454291527 /nfs/dbraw/zinc/29/15/27/454291527.db2.gz BYPKVVIUGUQXHH-BQIYRTECSA-N 2 2 343.515 3.385 10 0 EGAELP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(Cl)s3)CC2)C[C@H](C)O1 ZINC000078688192 454299488 /nfs/dbraw/zinc/29/94/88/454299488.db2.gz UMICPTOLQSRGGX-STQMWFEESA-N 2 2 343.924 3.118 10 0 EGAELP c1ccc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200570 454423288 /nfs/dbraw/zinc/42/32/88/454423288.db2.gz GCQUEXJBUMHELX-HNNXBMFYSA-N 2 2 335.411 3.066 10 0 EGAELP c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000097200570 454423291 /nfs/dbraw/zinc/42/32/91/454423291.db2.gz GCQUEXJBUMHELX-HNNXBMFYSA-N 2 2 335.411 3.066 10 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CCCc1cc(N2CC[NH+](Cc3nccn3C)CC2)c2ccccc2[nH+]1 ZINC000124805018 454771275 /nfs/dbraw/zinc/77/12/75/454771275.db2.gz SOZMKPQCZRJJCS-UHFFFAOYSA-N 2 2 349.482 3.243 10 0 EGAELP c1csc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177089034 454821507 /nfs/dbraw/zinc/82/15/07/454821507.db2.gz KLPCIOOVIZCTGI-OAHLLOKOSA-N 2 2 325.441 3.103 10 0 EGAELP c1csc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177089034 454821512 /nfs/dbraw/zinc/82/15/12/454821512.db2.gz KLPCIOOVIZCTGI-OAHLLOKOSA-N 2 2 325.441 3.103 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163216063 454830916 /nfs/dbraw/zinc/83/09/16/454830916.db2.gz ZSLNGPJCELFFLF-ZFWWWQNUSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163216063 454830918 /nfs/dbraw/zinc/83/09/18/454830918.db2.gz ZSLNGPJCELFFLF-ZFWWWQNUSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000163241702 454834189 /nfs/dbraw/zinc/83/41/89/454834189.db2.gz RUCLUUCDAKGKEI-MRXNPFEDSA-N 3 2 335.923 3.236 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000163241702 454834192 /nfs/dbraw/zinc/83/41/92/454834192.db2.gz RUCLUUCDAKGKEI-MRXNPFEDSA-N 3 2 335.923 3.236 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324367 454839412 /nfs/dbraw/zinc/83/94/12/454839412.db2.gz JZXWXYABTNMUPM-ZFWWWQNUSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000163324367 454839416 /nfs/dbraw/zinc/83/94/16/454839416.db2.gz JZXWXYABTNMUPM-ZFWWWQNUSA-N 2 2 326.868 3.110 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000246300869 455467370 /nfs/dbraw/zinc/46/73/70/455467370.db2.gz VGVSXTZBEDPTJA-SZVBFZGTSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000246300869 455467376 /nfs/dbraw/zinc/46/73/76/455467376.db2.gz VGVSXTZBEDPTJA-SZVBFZGTSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000246300857 455467709 /nfs/dbraw/zinc/46/77/09/455467709.db2.gz VGVSXTZBEDPTJA-SUMDDJOVSA-N 2 2 330.497 3.066 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000246300857 455467713 /nfs/dbraw/zinc/46/77/13/455467713.db2.gz VGVSXTZBEDPTJA-SUMDDJOVSA-N 2 2 330.497 3.066 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000150910719 454911087 /nfs/dbraw/zinc/91/10/87/454911087.db2.gz VWXRXUGEHJKOCV-CQSZACIVSA-N 2 2 345.468 3.172 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000150910719 454911091 /nfs/dbraw/zinc/91/10/91/454911091.db2.gz VWXRXUGEHJKOCV-CQSZACIVSA-N 2 2 345.468 3.172 10 0 EGAELP Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000155401068 454997640 /nfs/dbraw/zinc/99/76/40/454997640.db2.gz XUUMQBWDRMAKNZ-IYBDPMFKSA-N 2 2 339.439 3.347 10 0 EGAELP Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000155401068 454997645 /nfs/dbraw/zinc/99/76/45/454997645.db2.gz XUUMQBWDRMAKNZ-IYBDPMFKSA-N 2 2 339.439 3.347 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151710911 455020260 /nfs/dbraw/zinc/02/02/60/455020260.db2.gz WOTYZNUSYMHTLD-JKSUJKDBSA-N 2 2 328.460 3.170 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151710772 455020452 /nfs/dbraw/zinc/02/04/52/455020452.db2.gz WOTYZNUSYMHTLD-HOTGVXAUSA-N 2 2 328.460 3.170 10 0 EGAELP CCc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000172247748 455139246 /nfs/dbraw/zinc/13/92/46/455139246.db2.gz ZHVLUGXSHMMJGC-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000172247748 455139251 /nfs/dbraw/zinc/13/92/51/455139251.db2.gz ZHVLUGXSHMMJGC-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160498 455142004 /nfs/dbraw/zinc/14/20/04/455142004.db2.gz IQBNEOWUVRWBKG-QUQREYOPSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160498 455142008 /nfs/dbraw/zinc/14/20/08/455142008.db2.gz IQBNEOWUVRWBKG-QUQREYOPSA-N 2 2 339.527 3.397 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245438986 455299288 /nfs/dbraw/zinc/29/92/88/455299288.db2.gz SLRPRPGSBBZSDD-ZBFHGGJFSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245438986 455299289 /nfs/dbraw/zinc/29/92/89/455299289.db2.gz SLRPRPGSBBZSDD-ZBFHGGJFSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245438986 455299291 /nfs/dbraw/zinc/29/92/91/455299291.db2.gz SLRPRPGSBBZSDD-ZBFHGGJFSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245438986 455299292 /nfs/dbraw/zinc/29/92/92/455299292.db2.gz SLRPRPGSBBZSDD-ZBFHGGJFSA-N 2 2 332.467 3.357 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000245557468 455328854 /nfs/dbraw/zinc/32/88/54/455328854.db2.gz FSAGTAGVZOGEEB-XUVXKRRUSA-N 2 2 341.499 3.198 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000190482565 455329358 /nfs/dbraw/zinc/32/93/58/455329358.db2.gz DVUSLTLHRIRKSM-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000190482565 455329364 /nfs/dbraw/zinc/32/93/64/455329364.db2.gz DVUSLTLHRIRKSM-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000190482565 455329366 /nfs/dbraw/zinc/32/93/66/455329366.db2.gz DVUSLTLHRIRKSM-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000190482565 455329370 /nfs/dbraw/zinc/32/93/70/455329370.db2.gz DVUSLTLHRIRKSM-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000245712565 455362918 /nfs/dbraw/zinc/36/29/18/455362918.db2.gz CMXBDOBLJSVYNC-JXFKEZNVSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000245712565 455362920 /nfs/dbraw/zinc/36/29/20/455362920.db2.gz CMXBDOBLJSVYNC-JXFKEZNVSA-N 2 2 335.455 3.460 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182089622 455432657 /nfs/dbraw/zinc/43/26/57/455432657.db2.gz NKMPAXFVBFLIBQ-KBXCAEBGSA-N 2 2 326.431 3.220 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000266826817 455458153 /nfs/dbraw/zinc/45/81/53/455458153.db2.gz DAOOVHSFCYVKOE-CRAIPNDOSA-N 2 2 349.544 3.002 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000266826817 455458156 /nfs/dbraw/zinc/45/81/56/455458156.db2.gz DAOOVHSFCYVKOE-CRAIPNDOSA-N 2 2 349.544 3.002 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885116 455469087 /nfs/dbraw/zinc/46/90/87/455469087.db2.gz ZWANVPKOYYGIFJ-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885116 455469090 /nfs/dbraw/zinc/46/90/90/455469090.db2.gz ZWANVPKOYYGIFJ-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885116 455469094 /nfs/dbraw/zinc/46/90/94/455469094.db2.gz ZWANVPKOYYGIFJ-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000266885116 455469096 /nfs/dbraw/zinc/46/90/96/455469096.db2.gz ZWANVPKOYYGIFJ-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@H](C)c2ccccc2)nc[nH+]1 ZINC000246434073 455489579 /nfs/dbraw/zinc/48/95/79/455489579.db2.gz OCOFRZZWBRNLDA-LZLYRXPVSA-N 2 2 339.487 3.269 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000246459897 455493348 /nfs/dbraw/zinc/49/33/48/455493348.db2.gz FJHWEPDPSGHZLL-OXJNMPFZSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccccc12 ZINC000246459897 455493355 /nfs/dbraw/zinc/49/33/55/455493355.db2.gz FJHWEPDPSGHZLL-OXJNMPFZSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccc12 ZINC000246459897 455493359 /nfs/dbraw/zinc/49/33/59/455493359.db2.gz FJHWEPDPSGHZLL-OXJNMPFZSA-N 2 2 336.483 3.387 10 0 EGAELP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000246459897 455493364 /nfs/dbraw/zinc/49/33/64/455493364.db2.gz FJHWEPDPSGHZLL-OXJNMPFZSA-N 2 2 336.483 3.387 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246850142 455530320 /nfs/dbraw/zinc/53/03/20/455530320.db2.gz BZAOOGBQEFFYOO-XIKSMUEASA-N 2 2 343.515 3.085 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246850142 455530322 /nfs/dbraw/zinc/53/03/22/455530322.db2.gz BZAOOGBQEFFYOO-XIKSMUEASA-N 2 2 343.515 3.085 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)ccc2[nH+]1 ZINC000267312606 455537001 /nfs/dbraw/zinc/53/70/01/455537001.db2.gz DRGUCSQNIQSUFS-OAHLLOKOSA-N 2 2 326.444 3.236 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)ccc2[nH+]1 ZINC000267312606 455537004 /nfs/dbraw/zinc/53/70/04/455537004.db2.gz DRGUCSQNIQSUFS-OAHLLOKOSA-N 2 2 326.444 3.236 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247450944 455602155 /nfs/dbraw/zinc/60/21/55/455602155.db2.gz ZKYLQESIEKYBTF-YJBOKZPZSA-N 2 2 340.471 3.330 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247450944 455602157 /nfs/dbraw/zinc/60/21/57/455602157.db2.gz ZKYLQESIEKYBTF-YJBOKZPZSA-N 2 2 340.471 3.330 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000247740598 455642201 /nfs/dbraw/zinc/64/22/01/455642201.db2.gz VXVMCYVYWOAYCM-YOEHRIQHSA-N 2 2 346.862 3.367 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000247740598 455642209 /nfs/dbraw/zinc/64/22/09/455642209.db2.gz VXVMCYVYWOAYCM-YOEHRIQHSA-N 2 2 346.862 3.367 10 0 EGAELP CCC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccnc1 ZINC000185992046 455669743 /nfs/dbraw/zinc/66/97/43/455669743.db2.gz BRUUOSLUQFEGRN-DLBZAZTESA-N 2 2 340.475 3.013 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248201184 455698238 /nfs/dbraw/zinc/69/82/38/455698238.db2.gz YTYPGYVAAXCGLP-OIISXLGYSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248201184 455698243 /nfs/dbraw/zinc/69/82/43/455698243.db2.gz YTYPGYVAAXCGLP-OIISXLGYSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248201184 455698251 /nfs/dbraw/zinc/69/82/51/455698251.db2.gz YTYPGYVAAXCGLP-OIISXLGYSA-N 2 2 326.444 3.214 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248201184 455698256 /nfs/dbraw/zinc/69/82/56/455698256.db2.gz YTYPGYVAAXCGLP-OIISXLGYSA-N 2 2 326.444 3.214 10 0 EGAELP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249881218 455781779 /nfs/dbraw/zinc/78/17/79/455781779.db2.gz NNWTWLUURIPVHD-CABCVRRESA-N 2 2 329.448 3.302 10 0 EGAELP CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249881218 455781784 /nfs/dbraw/zinc/78/17/84/455781784.db2.gz NNWTWLUURIPVHD-CABCVRRESA-N 2 2 329.448 3.302 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000296344128 455914321 /nfs/dbraw/zinc/91/43/21/455914321.db2.gz IOGMXWVJDZLYBW-HZMBPMFUSA-N 2 2 338.224 3.450 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231835 455922538 /nfs/dbraw/zinc/92/25/38/455922538.db2.gz KIIAPBHQGGDTOM-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231835 455922541 /nfs/dbraw/zinc/92/25/41/455922541.db2.gz KIIAPBHQGGDTOM-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231835 455922544 /nfs/dbraw/zinc/92/25/44/455922544.db2.gz KIIAPBHQGGDTOM-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000280231835 455922548 /nfs/dbraw/zinc/92/25/48/455922548.db2.gz KIIAPBHQGGDTOM-HNAYVOBHSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374575 455929946 /nfs/dbraw/zinc/92/99/46/455929946.db2.gz CPQFOGVBAPFPPD-OCCSQVGLSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374575 455929931 /nfs/dbraw/zinc/92/99/31/455929931.db2.gz CPQFOGVBAPFPPD-OCCSQVGLSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374575 455929938 /nfs/dbraw/zinc/92/99/38/455929938.db2.gz CPQFOGVBAPFPPD-OCCSQVGLSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)n2)[C@H](C)C1 ZINC000272374575 455929942 /nfs/dbraw/zinc/92/99/42/455929942.db2.gz CPQFOGVBAPFPPD-OCCSQVGLSA-N 2 2 326.282 3.006 10 0 EGAELP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccsc1 ZINC000188061922 455990112 /nfs/dbraw/zinc/99/01/12/455990112.db2.gz CNPRMNDGQRULJV-HKUYNNGSSA-N 2 2 339.464 3.142 10 0 EGAELP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccsc1 ZINC000188061922 455990114 /nfs/dbraw/zinc/99/01/14/455990114.db2.gz CNPRMNDGQRULJV-HKUYNNGSSA-N 2 2 339.464 3.142 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000623753694 460705784 /nfs/dbraw/zinc/70/57/84/460705784.db2.gz CIVRVDTYUHYTKE-MJGOQNOKSA-N 2 2 334.891 3.462 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000225603752 456097721 /nfs/dbraw/zinc/09/77/21/456097721.db2.gz CJHLKUDTGXISBA-AWEZNQCLSA-N 2 2 341.484 3.286 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000225603752 456097725 /nfs/dbraw/zinc/09/77/25/456097725.db2.gz CJHLKUDTGXISBA-AWEZNQCLSA-N 2 2 341.484 3.286 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858921 456158041 /nfs/dbraw/zinc/15/80/41/456158041.db2.gz RMMNOFXKMKMBDL-PKOBYXMFSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858921 456158049 /nfs/dbraw/zinc/15/80/49/456158049.db2.gz RMMNOFXKMKMBDL-PKOBYXMFSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529315 456244729 /nfs/dbraw/zinc/24/47/29/456244729.db2.gz NWDGPNREZLKMJE-PXNSSMCTSA-N 3 2 334.467 3.477 10 0 EGAELP C1CCC([N@@H+]2CCC[C@H]2c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761209 456259431 /nfs/dbraw/zinc/25/94/31/456259431.db2.gz VTOIUQYCVXKCKY-IXDOHACOSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([N@H+]2CCC[C@H]2c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761209 456259436 /nfs/dbraw/zinc/25/94/36/456259436.db2.gz VTOIUQYCVXKCKY-IXDOHACOSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761209 456259440 /nfs/dbraw/zinc/25/94/40/456259440.db2.gz VTOIUQYCVXKCKY-IXDOHACOSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000333761209 456259443 /nfs/dbraw/zinc/25/94/43/456259443.db2.gz VTOIUQYCVXKCKY-IXDOHACOSA-N 2 2 346.475 3.075 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760834 456354764 /nfs/dbraw/zinc/35/47/64/456354764.db2.gz USVXIQIHNFPLAO-MRXNPFEDSA-N 2 2 339.361 3.055 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000347760834 456354770 /nfs/dbraw/zinc/35/47/70/456354770.db2.gz USVXIQIHNFPLAO-MRXNPFEDSA-N 2 2 339.361 3.055 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000276268323 456429739 /nfs/dbraw/zinc/42/97/39/456429739.db2.gz RVGRRQSJIZOFJW-ZIAGYGMSSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000276268323 456429742 /nfs/dbraw/zinc/42/97/42/456429742.db2.gz RVGRRQSJIZOFJW-ZIAGYGMSSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164796 456432316 /nfs/dbraw/zinc/43/23/16/456432316.db2.gz UOZHGQSIVJXUPW-CQSZACIVSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164796 456432322 /nfs/dbraw/zinc/43/23/22/456432322.db2.gz UOZHGQSIVJXUPW-CQSZACIVSA-N 2 2 347.894 3.294 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000276476297 456492809 /nfs/dbraw/zinc/49/28/09/456492809.db2.gz ZNOZGEWENBYOPD-HKUYNNGSSA-N 2 2 349.438 3.210 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000353236981 456578333 /nfs/dbraw/zinc/57/83/33/456578333.db2.gz DWJRWWHTLZYBJG-HNNXBMFYSA-N 2 2 337.423 3.496 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000353258874 456593837 /nfs/dbraw/zinc/59/38/37/456593837.db2.gz RUBNVZGMBVZAOV-HKUYNNGSSA-N 2 2 341.503 3.310 10 0 EGAELP COc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c(C)c1OC ZINC000348286296 456599106 /nfs/dbraw/zinc/59/91/06/456599106.db2.gz YOSMIZAOEFRWRG-UHFFFAOYSA-N 2 2 341.455 3.038 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000282729806 456606405 /nfs/dbraw/zinc/60/64/05/456606405.db2.gz DJSKPHCRVMXQNX-YOEHRIQHSA-N 2 2 341.484 3.428 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000282729806 456606411 /nfs/dbraw/zinc/60/64/11/456606411.db2.gz DJSKPHCRVMXQNX-YOEHRIQHSA-N 2 2 341.484 3.428 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889472 456610499 /nfs/dbraw/zinc/61/04/99/456610499.db2.gz HLYVSJINABGWOQ-IAGOWNOFSA-N 2 2 337.533 3.122 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccsc1 ZINC000276889472 456610505 /nfs/dbraw/zinc/61/05/05/456610505.db2.gz HLYVSJINABGWOQ-IAGOWNOFSA-N 2 2 337.533 3.122 10 0 EGAELP C[NH+]1CCC(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000291555878 456678602 /nfs/dbraw/zinc/67/86/02/456678602.db2.gz XGNMSHSHKVGCTR-UHFFFAOYSA-N 2 2 340.471 3.433 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353444507 456699564 /nfs/dbraw/zinc/69/95/64/456699564.db2.gz VQROWDFWSDOJOR-HKBOAZHASA-N 3 2 345.506 3.253 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353444507 456699573 /nfs/dbraw/zinc/69/95/73/456699573.db2.gz VQROWDFWSDOJOR-HKBOAZHASA-N 3 2 345.506 3.253 10 0 EGAELP Fc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000328653092 456728710 /nfs/dbraw/zinc/72/87/10/456728710.db2.gz WTDXETBBIDROLT-INIZCTEOSA-N 2 2 333.838 3.486 10 0 EGAELP Fc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000328653092 456728714 /nfs/dbraw/zinc/72/87/14/456728714.db2.gz WTDXETBBIDROLT-INIZCTEOSA-N 2 2 333.838 3.486 10 0 EGAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)CC2)c[nH+]1 ZINC000328654661 456729414 /nfs/dbraw/zinc/72/94/14/456729414.db2.gz XPAFTWJAPURBJG-CQSZACIVSA-N 2 2 343.500 3.295 10 0 EGAELP CO[C@H](C)c1nc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cs1 ZINC000344300134 456814625 /nfs/dbraw/zinc/81/46/25/456814625.db2.gz JAQSRKLTGJLUEW-CYBMUJFWSA-N 2 2 343.456 3.029 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292140103 456866162 /nfs/dbraw/zinc/86/61/62/456866162.db2.gz MJLQOJVECOOMNH-IBGZPJMESA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292140103 456866166 /nfs/dbraw/zinc/86/61/66/456866166.db2.gz MJLQOJVECOOMNH-IBGZPJMESA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292140103 456866170 /nfs/dbraw/zinc/86/61/70/456866170.db2.gz MJLQOJVECOOMNH-IBGZPJMESA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292140103 456866175 /nfs/dbraw/zinc/86/61/75/456866175.db2.gz MJLQOJVECOOMNH-IBGZPJMESA-N 2 2 344.480 3.216 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@H+](Cc2ccccc2)C1 ZINC000338957326 456877424 /nfs/dbraw/zinc/87/74/24/456877424.db2.gz YYCGRIJLPRVIRY-POAQFYNOSA-N 2 2 338.499 3.298 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@@H+](Cc2ccccc2)C1 ZINC000338957326 456877430 /nfs/dbraw/zinc/87/74/30/456877430.db2.gz YYCGRIJLPRVIRY-POAQFYNOSA-N 2 2 338.499 3.298 10 0 EGAELP COCCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000349327816 456944336 /nfs/dbraw/zinc/94/43/36/456944336.db2.gz GDVHCXWAXSQUFI-UHFFFAOYSA-N 2 2 342.468 3.368 10 0 EGAELP COCCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000349327816 456944338 /nfs/dbraw/zinc/94/43/38/456944338.db2.gz GDVHCXWAXSQUFI-UHFFFAOYSA-N 2 2 342.468 3.368 10 0 EGAELP CO[C@@H](C)C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879699 456983931 /nfs/dbraw/zinc/98/39/31/456983931.db2.gz CLRGCZXVEDFWBY-AZUAARDMSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879699 456983934 /nfs/dbraw/zinc/98/39/34/456983934.db2.gz CLRGCZXVEDFWBY-AZUAARDMSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879699 456983938 /nfs/dbraw/zinc/98/39/38/456983938.db2.gz CLRGCZXVEDFWBY-AZUAARDMSA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@@H](C)C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879699 456983942 /nfs/dbraw/zinc/98/39/42/456983942.db2.gz CLRGCZXVEDFWBY-AZUAARDMSA-N 2 2 334.504 3.023 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000354105745 457065869 /nfs/dbraw/zinc/06/58/69/457065869.db2.gz DQESRDKDUCRCTF-FQEVSTJZSA-N 2 2 338.499 3.095 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000354105745 457065872 /nfs/dbraw/zinc/06/58/72/457065872.db2.gz DQESRDKDUCRCTF-FQEVSTJZSA-N 2 2 338.499 3.095 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCCO2 ZINC000359520569 457091579 /nfs/dbraw/zinc/09/15/79/457091579.db2.gz YKMJKCZGVKXUBA-HKUYNNGSSA-N 2 2 332.488 3.155 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CCCO2 ZINC000359520569 457091581 /nfs/dbraw/zinc/09/15/81/457091581.db2.gz YKMJKCZGVKXUBA-HKUYNNGSSA-N 2 2 332.488 3.155 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCCC[NH+]1CCCC1)C2 ZINC000357089341 457317081 /nfs/dbraw/zinc/31/70/81/457317081.db2.gz RSYYJLVCRPBIJB-INIZCTEOSA-N 2 2 346.519 3.020 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)CC2 ZINC000357089341 457317087 /nfs/dbraw/zinc/31/70/87/457317087.db2.gz RSYYJLVCRPBIJB-INIZCTEOSA-N 2 2 346.519 3.020 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352116726 457338322 /nfs/dbraw/zinc/33/83/22/457338322.db2.gz ZIRXXWDWBLUBSJ-PKOBYXMFSA-N 2 2 332.488 3.391 10 0 EGAELP CCOC(=O)CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352116726 457338333 /nfs/dbraw/zinc/33/83/33/457338333.db2.gz ZIRXXWDWBLUBSJ-PKOBYXMFSA-N 2 2 332.488 3.391 10 0 EGAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2ccncc2)s1 ZINC000355136123 457344558 /nfs/dbraw/zinc/34/45/58/457344558.db2.gz OZFXRSLHRBSAIH-CVEARBPZSA-N 2 2 328.485 3.264 10 0 EGAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2ccncc2)s1 ZINC000355136123 457344561 /nfs/dbraw/zinc/34/45/61/457344561.db2.gz OZFXRSLHRBSAIH-CVEARBPZSA-N 2 2 328.485 3.264 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000355136123 457344565 /nfs/dbraw/zinc/34/45/65/457344565.db2.gz OZFXRSLHRBSAIH-CVEARBPZSA-N 2 2 328.485 3.264 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000355136123 457344566 /nfs/dbraw/zinc/34/45/66/457344566.db2.gz OZFXRSLHRBSAIH-CVEARBPZSA-N 2 2 328.485 3.264 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342589147 457384474 /nfs/dbraw/zinc/38/44/74/457384474.db2.gz LTDKLZKHWMWMEB-JKSUJKDBSA-N 2 2 340.471 3.163 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000361023768 457519889 /nfs/dbraw/zinc/51/98/89/457519889.db2.gz ORYIYNBCAVYOAD-KGLIPLIRSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000361023768 457519902 /nfs/dbraw/zinc/51/99/02/457519902.db2.gz ORYIYNBCAVYOAD-KGLIPLIRSA-N 2 2 346.393 3.347 10 0 EGAELP CS[C@@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000425363958 457520328 /nfs/dbraw/zinc/52/03/28/457520328.db2.gz YAVOLEBIGIDKBX-WOJBJXKFSA-N 2 2 347.572 3.068 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000374201695 457520988 /nfs/dbraw/zinc/52/09/88/457520988.db2.gz XKICSPHJBIQPHQ-ZDUSSCGKSA-N 2 2 330.407 3.064 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820676 457540586 /nfs/dbraw/zinc/54/05/86/457540586.db2.gz KEMDCULNVOSIHK-MAUKXSAKSA-N 2 2 348.853 3.360 10 0 EGAELP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820676 457540593 /nfs/dbraw/zinc/54/05/93/457540593.db2.gz KEMDCULNVOSIHK-MAUKXSAKSA-N 2 2 348.853 3.360 10 0 EGAELP Fc1ccc(-c2noc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)cc1F ZINC000370733434 457709508 /nfs/dbraw/zinc/70/95/08/457709508.db2.gz FMOJQNPFSAPTNU-UHFFFAOYSA-N 2 2 345.353 3.118 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000361373247 457710174 /nfs/dbraw/zinc/71/01/74/457710174.db2.gz BMRXJZOAWJTTAG-HNNXBMFYSA-N 2 2 338.459 3.183 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000361373247 457710178 /nfs/dbraw/zinc/71/01/78/457710178.db2.gz BMRXJZOAWJTTAG-HNNXBMFYSA-N 2 2 338.459 3.183 10 0 EGAELP CC(C)CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000457614935 457766519 /nfs/dbraw/zinc/76/65/19/457766519.db2.gz MOGHCWZIDSAPMI-UHFFFAOYSA-N 2 2 337.552 3.269 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000361531859 457774391 /nfs/dbraw/zinc/77/43/91/457774391.db2.gz URGGRJCRBCOING-AWEZNQCLSA-N 2 2 338.411 3.115 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)C2)cc1 ZINC000358229419 457873846 /nfs/dbraw/zinc/87/38/46/457873846.db2.gz QPHOYSNHWRUNRU-FQEVSTJZSA-N 2 2 336.483 3.151 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)C2)cc1 ZINC000358229419 457873851 /nfs/dbraw/zinc/87/38/51/457873851.db2.gz QPHOYSNHWRUNRU-FQEVSTJZSA-N 2 2 336.483 3.151 10 0 EGAELP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444615710 457919003 /nfs/dbraw/zinc/91/90/03/457919003.db2.gz AURGCFCQRFPOFD-MOPGFXCFSA-N 2 2 336.520 3.306 10 0 EGAELP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444615710 457919006 /nfs/dbraw/zinc/91/90/06/457919006.db2.gz AURGCFCQRFPOFD-MOPGFXCFSA-N 2 2 336.520 3.306 10 0 EGAELP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000444680459 457936673 /nfs/dbraw/zinc/93/66/73/457936673.db2.gz PHURVYRFBFTGMS-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP CC(C)n1ncc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)c(Cl)nc21 ZINC000368090110 458009618 /nfs/dbraw/zinc/00/96/18/458009618.db2.gz PLSUWEZZOQPKJA-ZDUSSCGKSA-N 2 2 344.850 3.036 10 0 EGAELP CC(C)n1ncc2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)c(Cl)nc21 ZINC000368090110 458009622 /nfs/dbraw/zinc/00/96/22/458009622.db2.gz PLSUWEZZOQPKJA-ZDUSSCGKSA-N 2 2 344.850 3.036 10 0 EGAELP Cc1ccc(C[N@H+](CCO)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445762596 458084936 /nfs/dbraw/zinc/08/49/36/458084936.db2.gz ZAUUEUZKZHGGSV-UHFFFAOYSA-N 2 2 335.451 3.234 10 0 EGAELP Cc1ccc(C[N@@H+](CCO)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445762596 458084942 /nfs/dbraw/zinc/08/49/42/458084942.db2.gz ZAUUEUZKZHGGSV-UHFFFAOYSA-N 2 2 335.451 3.234 10 0 EGAELP Clc1ccc2[nH+]cc(CN3CC[NH+](Cc4ccccc4)CC3)n2c1 ZINC000435235870 458107328 /nfs/dbraw/zinc/10/73/28/458107328.db2.gz GLHMHBJORIKXBP-UHFFFAOYSA-N 2 2 340.858 3.306 10 0 EGAELP CC(C)(C)c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000428290469 458112921 /nfs/dbraw/zinc/11/29/21/458112921.db2.gz XWCYATIXDMZIDT-LJQANCHMSA-N 2 2 330.516 3.181 10 0 EGAELP CC(C)(C)c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000428290469 458112928 /nfs/dbraw/zinc/11/29/28/458112928.db2.gz XWCYATIXDMZIDT-LJQANCHMSA-N 2 2 330.516 3.181 10 0 EGAELP COCc1cnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000447093285 458263633 /nfs/dbraw/zinc/26/36/33/458263633.db2.gz IIPFKBMMBVRNOR-UHFFFAOYSA-N 2 2 333.457 3.036 10 0 EGAELP C[NH+](C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543918 458307858 /nfs/dbraw/zinc/30/78/58/458307858.db2.gz UBTUVTDLIWIWJC-BURNTYAHSA-N 3 2 327.516 3.112 10 0 EGAELP C[NH+](C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447543918 458307861 /nfs/dbraw/zinc/30/78/61/458307861.db2.gz UBTUVTDLIWIWJC-BURNTYAHSA-N 3 2 327.516 3.112 10 0 EGAELP c1nc(C2CC2)ncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459335289 458334115 /nfs/dbraw/zinc/33/41/15/458334115.db2.gz HZLSPVOCVJOROT-KRWDZBQOSA-N 2 2 328.504 3.442 10 0 EGAELP c1nc(C2CC2)ncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459335289 458334117 /nfs/dbraw/zinc/33/41/17/458334117.db2.gz HZLSPVOCVJOROT-KRWDZBQOSA-N 2 2 328.504 3.442 10 0 EGAELP COc1cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000376596096 458348201 /nfs/dbraw/zinc/34/82/01/458348201.db2.gz TWKPBNIFYOBEAY-OOHWJJMZSA-N 2 2 348.487 3.380 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814368 458374099 /nfs/dbraw/zinc/37/40/99/458374099.db2.gz ZORHJIUYXZZIPO-MKQGEQSTSA-N 2 2 349.563 3.218 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814368 458374101 /nfs/dbraw/zinc/37/41/01/458374101.db2.gz ZORHJIUYXZZIPO-MKQGEQSTSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814368 458374105 /nfs/dbraw/zinc/37/41/05/458374105.db2.gz ZORHJIUYXZZIPO-MKQGEQSTSA-N 2 2 349.563 3.218 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814368 458374108 /nfs/dbraw/zinc/37/41/08/458374108.db2.gz ZORHJIUYXZZIPO-MKQGEQSTSA-N 2 2 349.563 3.218 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459480596 458386448 /nfs/dbraw/zinc/38/64/48/458386448.db2.gz MCHLXZOABMVIEF-LJQANCHMSA-N 2 2 330.476 3.005 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+]2CCC([NH2+]C(C)C)CC2)cn1 ZINC000430246441 458427437 /nfs/dbraw/zinc/42/74/37/458427437.db2.gz RZAKNNPYUBFHCU-UHFFFAOYSA-N 2 2 340.471 3.115 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+]C1(CO)CCSCC1 ZINC000459692535 458449119 /nfs/dbraw/zinc/44/91/19/458449119.db2.gz HUNTWZDBNNSMHC-UHFFFAOYSA-N 2 2 347.528 3.363 10 0 EGAELP FC(F)(F)COCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377116895 458467130 /nfs/dbraw/zinc/46/71/30/458467130.db2.gz UDHAHWLGRHLKQW-AWEZNQCLSA-N 2 2 345.409 3.368 10 0 EGAELP FC(F)(F)COCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377116895 458467135 /nfs/dbraw/zinc/46/71/35/458467135.db2.gz UDHAHWLGRHLKQW-AWEZNQCLSA-N 2 2 345.409 3.368 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1OCc1cccnc1)C2 ZINC000377786698 458527030 /nfs/dbraw/zinc/52/70/30/458527030.db2.gz VQYLSHMUMGMPDE-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1OCc1cccnc1)CC2 ZINC000377786698 458527035 /nfs/dbraw/zinc/52/70/35/458527035.db2.gz VQYLSHMUMGMPDE-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378062474 458615185 /nfs/dbraw/zinc/61/51/85/458615185.db2.gz UIEFZVLVXZTDBI-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP Cc1nc2[nH]ccc2c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[nH+]1 ZINC000439095508 458652418 /nfs/dbraw/zinc/65/24/18/458652418.db2.gz FFODGICYZQZJQE-ZDUSSCGKSA-N 2 2 336.443 3.299 10 0 EGAELP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000495032533 458785941 /nfs/dbraw/zinc/78/59/41/458785941.db2.gz VSDWBQLXPFZOAV-OWQGQXMQSA-N 2 2 329.419 3.164 10 0 EGAELP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000495032533 458785948 /nfs/dbraw/zinc/78/59/48/458785948.db2.gz VSDWBQLXPFZOAV-OWQGQXMQSA-N 2 2 329.419 3.164 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946334 459004628 /nfs/dbraw/zinc/00/46/28/459004628.db2.gz YVPZJIXPVWMNNQ-JTSKRJEESA-N 3 2 337.511 3.455 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946334 459004631 /nfs/dbraw/zinc/00/46/31/459004631.db2.gz YVPZJIXPVWMNNQ-JTSKRJEESA-N 3 2 337.511 3.455 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823213 459004980 /nfs/dbraw/zinc/00/49/80/459004980.db2.gz FRYRDMULXDWCGH-HUUCEWRRSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823213 459004989 /nfs/dbraw/zinc/00/49/89/459004989.db2.gz FRYRDMULXDWCGH-HUUCEWRRSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823213 459005001 /nfs/dbraw/zinc/00/50/01/459005001.db2.gz FRYRDMULXDWCGH-HUUCEWRRSA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c(C(C)C)nc2s1 ZINC000566823213 459005008 /nfs/dbraw/zinc/00/50/08/459005008.db2.gz FRYRDMULXDWCGH-HUUCEWRRSA-N 2 2 347.532 3.139 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000556858282 459023469 /nfs/dbraw/zinc/02/34/69/459023469.db2.gz JTHPJSKRKPXWMB-HOTGVXAUSA-N 2 2 334.504 3.407 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000556858282 459023472 /nfs/dbraw/zinc/02/34/72/459023472.db2.gz JTHPJSKRKPXWMB-HOTGVXAUSA-N 2 2 334.504 3.407 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032899 /nfs/dbraw/zinc/03/28/99/459032899.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032902 /nfs/dbraw/zinc/03/29/02/459032902.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032906 /nfs/dbraw/zinc/03/29/06/459032906.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032910 /nfs/dbraw/zinc/03/29/10/459032910.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996522 459072564 /nfs/dbraw/zinc/07/25/64/459072564.db2.gz HLAXUIWLPMKZPQ-ABAIWWIYSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996522 459072569 /nfs/dbraw/zinc/07/25/69/459072569.db2.gz HLAXUIWLPMKZPQ-ABAIWWIYSA-N 2 2 330.369 3.416 10 0 EGAELP COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000557586866 459088651 /nfs/dbraw/zinc/08/86/51/459088651.db2.gz WVXKGEBIHXXIKJ-IBGZPJMESA-N 2 2 337.423 3.013 10 0 EGAELP Cc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126253 459088803 /nfs/dbraw/zinc/08/88/03/459088803.db2.gz BDSTWDAXVSHVLJ-IBGZPJMESA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126253 459088808 /nfs/dbraw/zinc/08/88/08/459088808.db2.gz BDSTWDAXVSHVLJ-IBGZPJMESA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126253 459088814 /nfs/dbraw/zinc/08/88/14/459088814.db2.gz BDSTWDAXVSHVLJ-IBGZPJMESA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126253 459088820 /nfs/dbraw/zinc/08/88/20/459088820.db2.gz BDSTWDAXVSHVLJ-IBGZPJMESA-N 2 2 328.456 3.045 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503720 459101604 /nfs/dbraw/zinc/10/16/04/459101604.db2.gz CFNPGGYCXFCPMV-IAQYHMDHSA-N 2 2 329.257 3.061 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000532503720 459101611 /nfs/dbraw/zinc/10/16/11/459101611.db2.gz CFNPGGYCXFCPMV-IAQYHMDHSA-N 2 2 329.257 3.061 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)n1C ZINC000594952724 459190791 /nfs/dbraw/zinc/19/07/91/459190791.db2.gz YWHRYUMTNKPXOX-UHOFOFEASA-N 2 2 335.492 3.211 10 0 EGAELP CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000594999778 459209821 /nfs/dbraw/zinc/20/98/21/459209821.db2.gz DQVJGHTXXZRDBO-UHFFFAOYSA-N 2 2 341.455 3.474 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000595012776 459215024 /nfs/dbraw/zinc/21/50/24/459215024.db2.gz ODWDWLDAIRHHPY-OAHLLOKOSA-N 2 2 331.460 3.143 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000595035470 459223568 /nfs/dbraw/zinc/22/35/68/459223568.db2.gz JTCLJXSGPPRPSA-KVSKMBFKSA-N 2 2 332.488 3.389 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000595035470 459223573 /nfs/dbraw/zinc/22/35/73/459223573.db2.gz JTCLJXSGPPRPSA-KVSKMBFKSA-N 2 2 332.488 3.389 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650974 459237206 /nfs/dbraw/zinc/23/72/06/459237206.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@H+]1C ZINC000578650974 459237214 /nfs/dbraw/zinc/23/72/14/459237214.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650974 459237216 /nfs/dbraw/zinc/23/72/16/459237216.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650974 459237224 /nfs/dbraw/zinc/23/72/24/459237224.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 3 2 327.516 3.256 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591081367 459307390 /nfs/dbraw/zinc/30/73/90/459307390.db2.gz AENVWUUKLKBIIY-SJORKVTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591081367 459307395 /nfs/dbraw/zinc/30/73/95/459307395.db2.gz AENVWUUKLKBIIY-SJORKVTESA-N 2 2 326.444 3.164 10 0 EGAELP COc1ccc2oc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)c(C)c2c1 ZINC000484126118 459407713 /nfs/dbraw/zinc/40/77/13/459407713.db2.gz FBWPVKRAZACAJO-HOCLYGCPSA-N 2 2 346.471 3.369 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573121446 459629447 /nfs/dbraw/zinc/62/94/47/459629447.db2.gz DBRLSXSHIWXTOJ-IFMALSPDSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573121446 459629453 /nfs/dbraw/zinc/62/94/53/459629453.db2.gz DBRLSXSHIWXTOJ-IFMALSPDSA-N 2 2 349.478 3.442 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000543755060 459695876 /nfs/dbraw/zinc/69/58/76/459695876.db2.gz VHULRFQXEVTRES-FGTMMUONSA-N 2 2 342.512 3.237 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000543755060 459695881 /nfs/dbraw/zinc/69/58/81/459695881.db2.gz VHULRFQXEVTRES-FGTMMUONSA-N 2 2 342.512 3.237 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698722 459706100 /nfs/dbraw/zinc/70/61/00/459706100.db2.gz CKTJHAQCGCFHRV-CZGNIMDHSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698722 459706109 /nfs/dbraw/zinc/70/61/09/459706109.db2.gz CKTJHAQCGCFHRV-CZGNIMDHSA-N 2 2 328.500 3.302 10 0 EGAELP CSC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000596654462 459716077 /nfs/dbraw/zinc/71/60/77/459716077.db2.gz OYZYIFPLTMTZED-XGTXGMFGSA-N 2 2 330.419 3.451 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861760 459760312 /nfs/dbraw/zinc/76/03/12/459760312.db2.gz ZJUFKZYPUYTXEG-DYVFJYSZSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527861760 459760320 /nfs/dbraw/zinc/76/03/20/459760320.db2.gz ZJUFKZYPUYTXEG-DYVFJYSZSA-N 2 2 326.843 3.167 10 0 EGAELP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949462 459780065 /nfs/dbraw/zinc/78/00/65/459780065.db2.gz NPYLZHVUMVRPQB-PKOBYXMFSA-N 2 2 335.536 3.164 10 0 EGAELP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527949462 459780067 /nfs/dbraw/zinc/78/00/67/459780067.db2.gz NPYLZHVUMVRPQB-PKOBYXMFSA-N 2 2 335.536 3.164 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000574156989 459786199 /nfs/dbraw/zinc/78/61/99/459786199.db2.gz NQGQDOQBORWDKY-WBVHZDCISA-N 2 2 339.487 3.215 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006890 459794344 /nfs/dbraw/zinc/79/43/44/459794344.db2.gz AHVAMGKHWLVKPB-RDTXWAMCSA-N 2 2 345.487 3.321 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006890 459794349 /nfs/dbraw/zinc/79/43/49/459794349.db2.gz AHVAMGKHWLVKPB-RDTXWAMCSA-N 2 2 345.487 3.321 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000545240844 459815063 /nfs/dbraw/zinc/81/50/63/459815063.db2.gz VNZARDNBIDXJLY-ZNMIVQPWSA-N 2 2 326.444 3.382 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000545240844 459815066 /nfs/dbraw/zinc/81/50/66/459815066.db2.gz VNZARDNBIDXJLY-ZNMIVQPWSA-N 2 2 326.444 3.382 10 0 EGAELP Cc1cccn2c(C[NH2+]C[C@@H]3CSc4ccccc4O3)c[nH+]c12 ZINC000566217542 459823375 /nfs/dbraw/zinc/82/33/75/459823375.db2.gz SGFBZUFORLYURP-OAHLLOKOSA-N 2 2 325.437 3.286 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000545922872 459872928 /nfs/dbraw/zinc/87/29/28/459872928.db2.gz VVSBSWORWWRGBW-VNTMZGSJSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000545922872 459872935 /nfs/dbraw/zinc/87/29/35/459872935.db2.gz VVSBSWORWWRGBW-VNTMZGSJSA-N 2 2 338.536 3.014 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000588178154 459926906 /nfs/dbraw/zinc/92/69/06/459926906.db2.gz QLXWUWCUWWQJMU-CQSZACIVSA-N 2 2 327.255 3.453 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000588178154 459926909 /nfs/dbraw/zinc/92/69/09/459926909.db2.gz QLXWUWCUWWQJMU-CQSZACIVSA-N 2 2 327.255 3.453 10 0 EGAELP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000593624905 459937293 /nfs/dbraw/zinc/93/72/93/459937293.db2.gz LJUBLGGQNZTTIR-HNNXBMFYSA-N 2 2 335.492 3.457 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@@H+]1C ZINC000621717397 460022369 /nfs/dbraw/zinc/02/23/69/460022369.db2.gz CFBLBRDBBOPOCF-PKOBYXMFSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@H+]1C ZINC000621717397 460022378 /nfs/dbraw/zinc/02/23/78/460022378.db2.gz CFBLBRDBBOPOCF-PKOBYXMFSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717397 460022384 /nfs/dbraw/zinc/02/23/84/460022384.db2.gz CFBLBRDBBOPOCF-PKOBYXMFSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717397 460022388 /nfs/dbraw/zinc/02/23/88/460022388.db2.gz CFBLBRDBBOPOCF-PKOBYXMFSA-N 2 2 326.488 3.040 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448848 460177426 /nfs/dbraw/zinc/17/74/26/460177426.db2.gz UMIBYYFGMMRACH-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448848 460177434 /nfs/dbraw/zinc/17/74/34/460177434.db2.gz UMIBYYFGMMRACH-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448848 460177439 /nfs/dbraw/zinc/17/74/39/460177439.db2.gz UMIBYYFGMMRACH-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc(-c4ccccc4F)n3)C2)C1 ZINC000625448848 460177445 /nfs/dbraw/zinc/17/74/45/460177445.db2.gz UMIBYYFGMMRACH-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000626087485 460366166 /nfs/dbraw/zinc/36/61/66/460366166.db2.gz PMZFQWZTQNVYMT-RBUKOAKNSA-N 2 2 338.536 3.159 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000623089374 460408455 /nfs/dbraw/zinc/40/84/55/460408455.db2.gz FHBTXAKJMSHEQP-BRWVUGGUSA-N 2 2 330.463 3.148 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1(C)C ZINC000623363297 460510502 /nfs/dbraw/zinc/51/05/02/460510502.db2.gz LSXLMUPWDNWVGA-MRXNPFEDSA-N 2 2 338.499 3.323 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1(C)C ZINC000623363297 460510506 /nfs/dbraw/zinc/51/05/06/460510506.db2.gz LSXLMUPWDNWVGA-MRXNPFEDSA-N 2 2 338.499 3.323 10 0 EGAELP COc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1OC1CC1 ZINC000623373034 460515438 /nfs/dbraw/zinc/51/54/38/460515438.db2.gz PTJVFFIHJFPCDA-UHFFFAOYSA-N 2 2 340.467 3.458 10 0 EGAELP COc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1OC1CC1 ZINC000623373034 460515446 /nfs/dbraw/zinc/51/54/46/460515446.db2.gz PTJVFFIHJFPCDA-UHFFFAOYSA-N 2 2 340.467 3.458 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CCC1 ZINC000629518374 460790943 /nfs/dbraw/zinc/79/09/43/460790943.db2.gz HYQHRMBWEGWRPA-UHFFFAOYSA-N 2 2 343.324 3.471 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000629518150 460791268 /nfs/dbraw/zinc/79/12/68/460791268.db2.gz DQOYBHKYZWMLBG-ORYQWCPZSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Oc2ccccc2)cn1 ZINC000629522059 460794363 /nfs/dbraw/zinc/79/43/63/460794363.db2.gz WRGGOBCXPDUFFF-OAHLLOKOSA-N 2 2 327.428 3.032 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539736 460801140 /nfs/dbraw/zinc/80/11/40/460801140.db2.gz UALSLKDPPJCNDH-TYNCELHUSA-N 2 2 343.393 3.153 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C[NH2+]1 ZINC000629541747 460801512 /nfs/dbraw/zinc/80/15/12/460801512.db2.gz VCPSVTZQRIHNFF-BFVZDQMLSA-N 2 2 327.241 3.306 10 0 EGAELP C[C@@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C[C@@H]1n1cc[nH+]c1 ZINC000624035304 460831547 /nfs/dbraw/zinc/83/15/47/460831547.db2.gz UEMJKVFUYHKUKR-KDOFPFPSSA-N 2 2 332.411 3.167 10 0 EGAELP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652414 460847700 /nfs/dbraw/zinc/84/77/00/460847700.db2.gz AHDUNSRZMZVPTJ-VASHYATMSA-N 2 2 328.378 3.168 10 0 EGAELP COc1ccccc1/C=C\C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652414 460847707 /nfs/dbraw/zinc/84/77/07/460847707.db2.gz AHDUNSRZMZVPTJ-VASHYATMSA-N 2 2 328.378 3.168 10 0 EGAELP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629662400 460854665 /nfs/dbraw/zinc/85/46/65/460854665.db2.gz DLHKACTZKHUVKO-OYRHEFFESA-N 2 2 336.483 3.281 10 0 EGAELP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629662400 460854671 /nfs/dbraw/zinc/85/46/71/460854671.db2.gz DLHKACTZKHUVKO-OYRHEFFESA-N 2 2 336.483 3.281 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000629672570 460859571 /nfs/dbraw/zinc/85/95/71/460859571.db2.gz PEUWRQYAMXSNNB-KBXCAEBGSA-N 2 2 344.430 3.253 10 0 EGAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189707 460904465 /nfs/dbraw/zinc/90/44/65/460904465.db2.gz YSLJFCURLDGOBP-FUHWJXTLSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189707 460904468 /nfs/dbraw/zinc/90/44/68/460904468.db2.gz YSLJFCURLDGOBP-FUHWJXTLSA-N 2 2 329.488 3.319 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000608074468 460978582 /nfs/dbraw/zinc/97/85/82/460978582.db2.gz SGYUKPCYHZPDRZ-SFHVURJKSA-N 2 2 345.450 3.380 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182248 461035732 /nfs/dbraw/zinc/03/57/32/461035732.db2.gz LGBXPPWSKRVSHU-KRWDZBQOSA-N 2 2 330.472 3.154 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182248 461035738 /nfs/dbraw/zinc/03/57/38/461035738.db2.gz LGBXPPWSKRVSHU-KRWDZBQOSA-N 2 2 330.472 3.154 10 0 EGAELP Cc1cn2c([nH+]1)C[C@@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)CC2 ZINC000624515895 461037411 /nfs/dbraw/zinc/03/74/11/461037411.db2.gz PCZOUIUROXBMEZ-HNNXBMFYSA-N 2 2 346.394 3.157 10 0 EGAELP Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652338070 461138313 /nfs/dbraw/zinc/13/83/13/461138313.db2.gz ZTULZJNLNCCTDM-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652338070 461138315 /nfs/dbraw/zinc/13/83/15/461138315.db2.gz ZTULZJNLNCCTDM-FQEVSTJZSA-N 2 2 326.415 3.045 10 0 EGAELP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000662307338 461181546 /nfs/dbraw/zinc/18/15/46/461181546.db2.gz KPSPTXXLPAEUBJ-UHFFFAOYSA-N 2 2 335.451 3.105 10 0 EGAELP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000662307338 461181554 /nfs/dbraw/zinc/18/15/54/461181554.db2.gz KPSPTXXLPAEUBJ-UHFFFAOYSA-N 2 2 335.451 3.105 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ncco3)cc2F)CCO1 ZINC000662325213 461191698 /nfs/dbraw/zinc/19/16/98/461191698.db2.gz CVYLKGPNLZOYOB-KRWDZBQOSA-N 2 2 347.434 3.023 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ncco3)cc2F)CCO1 ZINC000662325213 461191707 /nfs/dbraw/zinc/19/17/07/461191707.db2.gz CVYLKGPNLZOYOB-KRWDZBQOSA-N 2 2 347.434 3.023 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](CCSc2ccc(F)cc2F)CCO1 ZINC000662325694 461191808 /nfs/dbraw/zinc/19/18/08/461191808.db2.gz IFFAGYZLYCAIDF-HNNXBMFYSA-N 2 2 344.471 3.100 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)CCO1 ZINC000662325694 461191820 /nfs/dbraw/zinc/19/18/20/461191820.db2.gz IFFAGYZLYCAIDF-HNNXBMFYSA-N 2 2 344.471 3.100 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2sccc2Br)CCO1 ZINC000662324405 461192842 /nfs/dbraw/zinc/19/28/42/461192842.db2.gz XGKORNXVWHOCSJ-LBPRGKRZSA-N 2 2 347.322 3.053 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2sccc2Br)CCO1 ZINC000662324405 461192848 /nfs/dbraw/zinc/19/28/48/461192848.db2.gz XGKORNXVWHOCSJ-LBPRGKRZSA-N 2 2 347.322 3.053 10 0 EGAELP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784811 461434064 /nfs/dbraw/zinc/43/40/64/461434064.db2.gz IOXNDCIYBPJWIV-KSSFIOAISA-N 2 2 326.431 3.111 10 0 EGAELP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784811 461434066 /nfs/dbraw/zinc/43/40/66/461434066.db2.gz IOXNDCIYBPJWIV-KSSFIOAISA-N 2 2 326.431 3.111 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803667 461464466 /nfs/dbraw/zinc/46/44/66/461464466.db2.gz VQRYQRMLSRNVAT-ZJPYXAASSA-N 2 2 342.487 3.021 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000631080751 461530429 /nfs/dbraw/zinc/53/04/29/461530429.db2.gz YAIMXPYTCDMFNE-KOLCDFICSA-N 2 2 332.673 3.070 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CC[N@H+]1C ZINC000631080751 461530435 /nfs/dbraw/zinc/53/04/35/461530435.db2.gz YAIMXPYTCDMFNE-KOLCDFICSA-N 2 2 332.673 3.070 10 0 EGAELP COc1cccc(OC)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249314 461590301 /nfs/dbraw/zinc/59/03/01/461590301.db2.gz RFDNRFWKIHORMN-MJGOQNOKSA-N 2 2 340.467 3.139 10 0 EGAELP COc1cccc(OC)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249314 461590312 /nfs/dbraw/zinc/59/03/12/461590312.db2.gz RFDNRFWKIHORMN-MJGOQNOKSA-N 2 2 340.467 3.139 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000656127901 461608849 /nfs/dbraw/zinc/60/88/49/461608849.db2.gz ANLVJFPDTMGIKQ-HIFRSBDPSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000656127901 461608858 /nfs/dbraw/zinc/60/88/58/461608858.db2.gz ANLVJFPDTMGIKQ-HIFRSBDPSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000656127902 461609428 /nfs/dbraw/zinc/60/94/28/461609428.db2.gz ANLVJFPDTMGIKQ-UKRRQHHQSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000656127902 461609432 /nfs/dbraw/zinc/60/94/32/461609432.db2.gz ANLVJFPDTMGIKQ-UKRRQHHQSA-N 2 2 332.473 3.350 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000656139849 461618442 /nfs/dbraw/zinc/61/84/42/461618442.db2.gz IYPWFEKMRGDBNR-PBHICJAKSA-N 2 2 326.444 3.259 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000656139849 461618451 /nfs/dbraw/zinc/61/84/51/461618451.db2.gz IYPWFEKMRGDBNR-PBHICJAKSA-N 2 2 326.444 3.259 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302051 461623432 /nfs/dbraw/zinc/62/34/32/461623432.db2.gz QTKIZJDONSGWLP-HKUYNNGSSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302051 461623439 /nfs/dbraw/zinc/62/34/39/461623439.db2.gz QTKIZJDONSGWLP-HKUYNNGSSA-N 2 2 338.499 3.392 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149149 461624607 /nfs/dbraw/zinc/62/46/07/461624607.db2.gz WYTMJVGVGOCYOR-SJORKVTESA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149149 461624613 /nfs/dbraw/zinc/62/46/13/461624613.db2.gz WYTMJVGVGOCYOR-SJORKVTESA-N 2 2 343.519 3.024 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189762 461626278 /nfs/dbraw/zinc/62/62/78/461626278.db2.gz CEPJQASOPGIPIN-LSDHHAIUSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189762 461626282 /nfs/dbraw/zinc/62/62/82/461626282.db2.gz CEPJQASOPGIPIN-LSDHHAIUSA-N 2 2 330.394 3.201 10 0 EGAELP COCc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631197147 461636157 /nfs/dbraw/zinc/63/61/57/461636157.db2.gz XTKHLSQZURSQTK-NVXWUHKLSA-N 2 2 345.512 3.147 10 0 EGAELP COCc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631197147 461636161 /nfs/dbraw/zinc/63/61/61/461636161.db2.gz XTKHLSQZURSQTK-NVXWUHKLSA-N 2 2 345.512 3.147 10 0 EGAELP C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631236252 461664027 /nfs/dbraw/zinc/66/40/27/461664027.db2.gz XEFKWQAJPKWAEI-FQEVSTJZSA-N 2 2 339.414 3.095 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479570 461723924 /nfs/dbraw/zinc/72/39/24/461723924.db2.gz LPQHPYVOULKTAB-HIFRSBDPSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479570 461723934 /nfs/dbraw/zinc/72/39/34/461723934.db2.gz LPQHPYVOULKTAB-HIFRSBDPSA-N 2 2 332.879 3.191 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480276 461728602 /nfs/dbraw/zinc/72/86/02/461728602.db2.gz IKZIECWIKBEDDF-CJNGLKHVSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480276 461728609 /nfs/dbraw/zinc/72/86/09/461728609.db2.gz IKZIECWIKBEDDF-CJNGLKHVSA-N 2 2 340.414 3.261 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501928 461747024 /nfs/dbraw/zinc/74/70/24/461747024.db2.gz SYWAMLQPTJFKBN-HIFRSBDPSA-N 2 2 339.277 3.395 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899436 461874343 /nfs/dbraw/zinc/87/43/43/461874343.db2.gz KJOWWDFYNBSZDQ-OALUTQOASA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899436 461874350 /nfs/dbraw/zinc/87/43/50/461874350.db2.gz KJOWWDFYNBSZDQ-OALUTQOASA-N 2 2 343.515 3.214 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899567 461875021 /nfs/dbraw/zinc/87/50/21/461875021.db2.gz POJSXWKAWNPYAI-UFYCRDLUSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647899567 461875027 /nfs/dbraw/zinc/87/50/27/461875027.db2.gz POJSXWKAWNPYAI-UFYCRDLUSA-N 2 2 343.515 3.108 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899434 461875128 /nfs/dbraw/zinc/87/51/28/461875128.db2.gz KHNGOFJNDBMAOL-XHSDSOJGSA-N 2 2 347.528 3.200 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899434 461875132 /nfs/dbraw/zinc/87/51/32/461875132.db2.gz KHNGOFJNDBMAOL-XHSDSOJGSA-N 2 2 347.528 3.200 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901372 461876430 /nfs/dbraw/zinc/87/64/30/461876430.db2.gz NGZRDXMNSFQSHZ-AQNXPRMDSA-N 2 2 343.515 3.060 10 0 EGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901372 461876438 /nfs/dbraw/zinc/87/64/38/461876438.db2.gz NGZRDXMNSFQSHZ-AQNXPRMDSA-N 2 2 343.515 3.060 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901619 461877233 /nfs/dbraw/zinc/87/72/33/461877233.db2.gz RQKWEWSDLFCEQH-DLBZAZTESA-N 2 2 326.444 3.009 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647901619 461877237 /nfs/dbraw/zinc/87/72/37/461877237.db2.gz RQKWEWSDLFCEQH-DLBZAZTESA-N 2 2 326.444 3.009 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903767 461877770 /nfs/dbraw/zinc/87/77/70/461877770.db2.gz PEYBXQPJZKCIMC-KXBFYZLASA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903767 461877777 /nfs/dbraw/zinc/87/77/77/461877777.db2.gz PEYBXQPJZKCIMC-KXBFYZLASA-N 2 2 344.890 3.490 10 0 EGAELP Brc1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784172 461893851 /nfs/dbraw/zinc/89/38/51/461893851.db2.gz ZGMKSDIZLHUCGJ-LBPRGKRZSA-N 2 2 344.322 3.117 10 0 EGAELP Brc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784172 461893855 /nfs/dbraw/zinc/89/38/55/461893855.db2.gz ZGMKSDIZLHUCGJ-LBPRGKRZSA-N 2 2 344.322 3.117 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(F)c2)cc1F ZINC000656790688 461901760 /nfs/dbraw/zinc/90/17/60/461901760.db2.gz JGRYBGHKCHMZHL-WMZOPIPTSA-N 2 2 332.394 3.209 10 0 EGAELP Fc1ccc(Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000650742318 461929531 /nfs/dbraw/zinc/92/95/31/461929531.db2.gz VVYZNKMUQYSQSV-FKEKPDDDSA-N 2 2 327.403 3.386 10 0 EGAELP Cc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000664402336 462046672 /nfs/dbraw/zinc/04/66/72/462046672.db2.gz CIFZXGBOFGDNOY-KRWDZBQOSA-N 2 2 337.471 3.088 10 0 EGAELP Cc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000664402336 462046677 /nfs/dbraw/zinc/04/66/77/462046677.db2.gz CIFZXGBOFGDNOY-KRWDZBQOSA-N 2 2 337.471 3.088 10 0 EGAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657347803 462062648 /nfs/dbraw/zinc/06/26/48/462062648.db2.gz GXWNZEMZRKMRTO-GFCCVEGCSA-N 2 2 344.272 3.193 10 0 EGAELP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657347803 462062656 /nfs/dbraw/zinc/06/26/56/462062656.db2.gz GXWNZEMZRKMRTO-GFCCVEGCSA-N 2 2 344.272 3.193 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3n(n2)CCC3)c(C)c1 ZINC000657414380 462107537 /nfs/dbraw/zinc/10/75/37/462107537.db2.gz NDHZQKPYRHNWNL-FQEVSTJZSA-N 2 2 335.455 3.174 10 0 EGAELP Fc1cncc(Br)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667533629 462131261 /nfs/dbraw/zinc/13/12/61/462131261.db2.gz YONVBQCPWPLTGJ-SNVBAGLBSA-N 2 2 339.212 3.086 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526407 462168299 /nfs/dbraw/zinc/16/82/99/462168299.db2.gz GQIBNYPINCWTNB-IBGZPJMESA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526407 462168303 /nfs/dbraw/zinc/16/83/03/462168303.db2.gz GQIBNYPINCWTNB-IBGZPJMESA-N 2 2 326.488 3.452 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(SC)cc1OC ZINC000657525675 462168338 /nfs/dbraw/zinc/16/83/38/462168338.db2.gz VFDRBMGHHVHXHA-AWEZNQCLSA-N 2 2 338.517 3.388 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(SC)cc1OC ZINC000657525675 462168343 /nfs/dbraw/zinc/16/83/43/462168343.db2.gz VFDRBMGHHVHXHA-AWEZNQCLSA-N 2 2 338.517 3.388 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000648803312 462286434 /nfs/dbraw/zinc/28/64/34/462286434.db2.gz MFJIZNLMHBKTRN-LBPRGKRZSA-N 2 2 325.416 3.230 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c[nH+]c12 ZINC000667948003 462340421 /nfs/dbraw/zinc/34/04/21/462340421.db2.gz KLJSJGBZHWNUFS-INIZCTEOSA-N 2 2 337.427 3.067 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000658053433 462359579 /nfs/dbraw/zinc/35/95/79/462359579.db2.gz AQWBRAURHUGXMS-DOTOQJQBSA-N 2 2 331.504 3.483 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000658053433 462359583 /nfs/dbraw/zinc/35/95/83/462359583.db2.gz AQWBRAURHUGXMS-DOTOQJQBSA-N 2 2 331.504 3.483 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250626 462368461 /nfs/dbraw/zinc/36/84/61/462368461.db2.gz XWEHMAQZHJTMMI-PWIZWCRZSA-N 2 2 337.467 3.139 10 0 EGAELP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000665251655 462368544 /nfs/dbraw/zinc/36/85/44/462368544.db2.gz VMXAECWBTVDRFM-PWIZWCRZSA-N 2 2 326.488 3.130 10 0 EGAELP C[C@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658177053 462420247 /nfs/dbraw/zinc/42/02/47/462420247.db2.gz AHXZKUCRBGWIAG-CQSZACIVSA-N 2 2 347.409 3.386 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1F ZINC000658228472 462435339 /nfs/dbraw/zinc/43/53/39/462435339.db2.gz SLIGFNMAKDJLAJ-GDBMZVCRSA-N 2 2 335.467 3.362 10 0 EGAELP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199947 462469768 /nfs/dbraw/zinc/46/97/68/462469768.db2.gz IQCYTFSYPVQILK-ZIAGYGMSSA-N 2 2 345.443 3.034 10 0 EGAELP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652199947 462469772 /nfs/dbraw/zinc/46/97/72/462469772.db2.gz IQCYTFSYPVQILK-ZIAGYGMSSA-N 2 2 345.443 3.034 10 0 EGAELP C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661979313 462492277 /nfs/dbraw/zinc/49/22/77/462492277.db2.gz WNANFRUVFZHZML-GOSISDBHSA-N 2 2 344.499 3.052 10 0 EGAELP C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661979313 462492281 /nfs/dbraw/zinc/49/22/81/462492281.db2.gz WNANFRUVFZHZML-GOSISDBHSA-N 2 2 344.499 3.052 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000646026354 462499077 /nfs/dbraw/zinc/49/90/77/462499077.db2.gz KSMHBGJFNRFFFQ-GOSISDBHSA-N 2 2 342.458 3.287 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000646026354 462499081 /nfs/dbraw/zinc/49/90/81/462499081.db2.gz KSMHBGJFNRFFFQ-GOSISDBHSA-N 2 2 342.458 3.287 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662140453 462530754 /nfs/dbraw/zinc/53/07/54/462530754.db2.gz DQVIYCXQKKBDOO-OXQOHEQNSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662140453 462530756 /nfs/dbraw/zinc/53/07/56/462530756.db2.gz DQVIYCXQKKBDOO-OXQOHEQNSA-N 2 2 329.488 3.465 10 0 EGAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000132914520 534438742 /nfs/dbraw/zinc/43/87/42/534438742.db2.gz QZYOSRNZDDSJEG-CABCVRRESA-N 2 2 343.393 3.280 10 0 EGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000242242318 526384607 /nfs/dbraw/zinc/38/46/07/526384607.db2.gz XTUJYEFVFLSMLD-XUVXKRRUSA-N 2 2 344.474 3.337 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174775606 529155645 /nfs/dbraw/zinc/15/56/45/529155645.db2.gz XDNACWLREIIMCI-WMZOPIPTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174775606 529155647 /nfs/dbraw/zinc/15/56/47/529155647.db2.gz XDNACWLREIIMCI-WMZOPIPTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174775606 529155650 /nfs/dbraw/zinc/15/56/50/529155650.db2.gz XDNACWLREIIMCI-WMZOPIPTSA-N 2 2 331.504 3.158 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174775606 529155652 /nfs/dbraw/zinc/15/56/52/529155652.db2.gz XDNACWLREIIMCI-WMZOPIPTSA-N 2 2 331.504 3.158 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693839 546708497 /nfs/dbraw/zinc/70/84/97/546708497.db2.gz UIZGWMDSBNLVLG-NQIIRXRSSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693839 546708502 /nfs/dbraw/zinc/70/85/02/546708502.db2.gz UIZGWMDSBNLVLG-NQIIRXRSSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@H](c1ccco1)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000128043987 546775319 /nfs/dbraw/zinc/77/53/19/546775319.db2.gz JKYFBQIEYVVTKY-VQIMIIECSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@H](c1ccco1)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000128043987 546775327 /nfs/dbraw/zinc/77/53/27/546775327.db2.gz JKYFBQIEYVVTKY-VQIMIIECSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@H](c1ccco1)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000128043987 546775333 /nfs/dbraw/zinc/77/53/33/546775333.db2.gz JKYFBQIEYVVTKY-VQIMIIECSA-N 2 2 328.456 3.298 10 0 EGAELP C[C@H](c1ccco1)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000128043987 546775337 /nfs/dbraw/zinc/77/53/37/546775337.db2.gz JKYFBQIEYVVTKY-VQIMIIECSA-N 2 2 328.456 3.298 10 0 EGAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000177100366 547023602 /nfs/dbraw/zinc/02/36/02/547023602.db2.gz GVEICHKFMCEWRE-CQSZACIVSA-N 2 2 338.224 3.449 10 0 EGAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000177100366 547023605 /nfs/dbraw/zinc/02/36/05/547023605.db2.gz GVEICHKFMCEWRE-CQSZACIVSA-N 2 2 338.224 3.449 10 0 EGAELP CCCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223248 547117543 /nfs/dbraw/zinc/11/75/43/547117543.db2.gz ZFBVNBKSKBTNTP-KRWDZBQOSA-N 2 2 329.444 3.345 10 0 EGAELP CCCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223248 547117550 /nfs/dbraw/zinc/11/75/50/547117550.db2.gz ZFBVNBKSKBTNTP-KRWDZBQOSA-N 2 2 329.444 3.345 10 0 EGAELP CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OCC ZINC000188410098 547147615 /nfs/dbraw/zinc/14/76/15/547147615.db2.gz DKKSOGJTBLIJJJ-KRWDZBQOSA-N 2 2 329.444 3.345 10 0 EGAELP CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OCC ZINC000188410098 547147617 /nfs/dbraw/zinc/14/76/17/547147617.db2.gz DKKSOGJTBLIJJJ-KRWDZBQOSA-N 2 2 329.444 3.345 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245598560 547266503 /nfs/dbraw/zinc/26/65/03/547266503.db2.gz OCCVBSDQDNAMLE-CKEIUWERSA-N 2 2 326.843 3.241 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245598560 547266507 /nfs/dbraw/zinc/26/65/07/547266507.db2.gz OCCVBSDQDNAMLE-CKEIUWERSA-N 2 2 326.843 3.241 10 0 EGAELP Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856745 548641942 /nfs/dbraw/zinc/64/19/42/548641942.db2.gz XKEVZRVAEWEYTB-PZJWPPBQSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856745 548641945 /nfs/dbraw/zinc/64/19/45/548641945.db2.gz XKEVZRVAEWEYTB-PZJWPPBQSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673856745 548641949 /nfs/dbraw/zinc/64/19/49/548641949.db2.gz XKEVZRVAEWEYTB-PZJWPPBQSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673856745 548641955 /nfs/dbraw/zinc/64/19/55/548641955.db2.gz XKEVZRVAEWEYTB-PZJWPPBQSA-N 2 2 341.499 3.045 10 0 EGAELP C[C@H](CC1CCOCC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917801 549004538 /nfs/dbraw/zinc/00/45/38/549004538.db2.gz FCVCQZHNFVCBLO-APWZRJJASA-N 2 2 327.472 3.499 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000683930263 550274686 /nfs/dbraw/zinc/27/46/86/550274686.db2.gz YHRYAVNHFAQZPQ-SFHVURJKSA-N 2 2 347.422 3.477 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000684379392 550321932 /nfs/dbraw/zinc/32/19/32/550321932.db2.gz FWTVMGASHHFAMN-DFQSSKMNSA-N 2 2 346.515 3.434 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393678 576778959 /nfs/dbraw/zinc/77/89/59/576778959.db2.gz ZVGQLHLXSVDWEF-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP Cc1ccccc1[C@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000743260547 576804499 /nfs/dbraw/zinc/80/44/99/576804499.db2.gz BPKHHFQVWFIIJX-OAQYLSRUSA-N 2 2 338.495 3.455 10 0 EGAELP Cc1ccccc1[C@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000743260547 576804500 /nfs/dbraw/zinc/80/45/00/576804500.db2.gz BPKHHFQVWFIIJX-OAQYLSRUSA-N 2 2 338.495 3.455 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872052872 1296702681 /nfs/dbraw/zinc/70/26/81/1296702681.db2.gz RCSBGFAFALXODT-QRFRQXIXSA-N 2 2 331.504 3.402 10 0 EGAELP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCOC1 ZINC000872056139 1296704103 /nfs/dbraw/zinc/70/41/03/1296704103.db2.gz OKYHLPAOQMUVLH-YLJYHZDGSA-N 2 2 331.504 3.446 10 0 EGAELP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1N ZINC000380927946 1297546910 /nfs/dbraw/zinc/54/69/10/1297546910.db2.gz GILGTQBQOROTHU-UHFFFAOYSA-N 2 2 339.483 3.374 10 0 EGAELP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1N ZINC000380927946 1297546923 /nfs/dbraw/zinc/54/69/23/1297546923.db2.gz GILGTQBQOROTHU-UHFFFAOYSA-N 2 2 339.483 3.374 10 0 EGAELP C[N@H+](C[C@@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000384462581 1297579333 /nfs/dbraw/zinc/57/93/33/1297579333.db2.gz HFAQFYDMKZEKFJ-JOCHJYFZSA-N 2 2 338.495 3.491 10 0 EGAELP C[N@@H+](C[C@@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000384462581 1297579340 /nfs/dbraw/zinc/57/93/40/1297579340.db2.gz HFAQFYDMKZEKFJ-JOCHJYFZSA-N 2 2 338.495 3.491 10 0 EGAELP C[N@@H+](Cc1cccc(Br)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394803895 1297680527 /nfs/dbraw/zinc/68/05/27/1297680527.db2.gz NLVDIWLRSOCHKB-FUNVUKJBSA-N 2 2 327.241 3.303 10 0 EGAELP C[N@H+](Cc1cccc(Br)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394803895 1297680514 /nfs/dbraw/zinc/68/05/14/1297680514.db2.gz NLVDIWLRSOCHKB-FUNVUKJBSA-N 2 2 327.241 3.303 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)CN1C(=O)OC(C)(C)C ZINC000399064122 1297724020 /nfs/dbraw/zinc/72/40/20/1297724020.db2.gz KFMSJNISQHPUTI-IRXDYDNUSA-N 2 2 339.524 3.240 10 0 EGAELP COC(=O)c1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000894383285 1306370029 /nfs/dbraw/zinc/37/00/29/1306370029.db2.gz FGLVJRKYBOEJBG-UHFFFAOYSA-N 2 2 347.484 3.060 10 0 EGAELP COC(=O)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000894383285 1306370036 /nfs/dbraw/zinc/37/00/36/1306370036.db2.gz FGLVJRKYBOEJBG-UHFFFAOYSA-N 2 2 347.484 3.060 10 0 EGAELP CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000895670028 1309456910 /nfs/dbraw/zinc/45/69/10/1309456910.db2.gz JLAAQNGDKFCFCJ-UHFFFAOYSA-N 2 2 328.460 3.407 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895669656 1309457476 /nfs/dbraw/zinc/45/74/76/1309457476.db2.gz AFNYOUQFSBPROV-UHFFFAOYSA-N 2 2 340.471 3.146 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCCCCCCC[NH+]2CCCC2)c[nH+]1 ZINC000895858282 1309565346 /nfs/dbraw/zinc/56/53/46/1309565346.db2.gz LXOXEADYZVAQRM-UHFFFAOYSA-N 2 2 334.508 3.089 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](CCF)C2)cc1)C(C)C ZINC000898492293 1310756707 /nfs/dbraw/zinc/75/67/07/1310756707.db2.gz SQEWLJHBGBWMCY-IBGZPJMESA-N 2 2 349.494 3.081 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](CCF)C2)cc1)C(C)C ZINC000898492293 1310756711 /nfs/dbraw/zinc/75/67/11/1310756711.db2.gz SQEWLJHBGBWMCY-IBGZPJMESA-N 2 2 349.494 3.081 10 0 EGAELP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1)C(C)C ZINC000898492293 1310756714 /nfs/dbraw/zinc/75/67/14/1310756714.db2.gz SQEWLJHBGBWMCY-IBGZPJMESA-N 2 2 349.494 3.081 10 0 EGAELP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1)C(C)C ZINC000898492293 1310756719 /nfs/dbraw/zinc/75/67/19/1310756719.db2.gz SQEWLJHBGBWMCY-IBGZPJMESA-N 2 2 349.494 3.081 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700255 /nfs/dbraw/zinc/70/02/55/1328700255.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700260 /nfs/dbraw/zinc/70/02/60/1328700260.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700265 /nfs/dbraw/zinc/70/02/65/1328700265.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700268 /nfs/dbraw/zinc/70/02/68/1328700268.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cnc1Br ZINC000929842861 1328718048 /nfs/dbraw/zinc/71/80/48/1328718048.db2.gz DSZFOQVHVFFBIE-GJZGRUSLSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000929842861 1328718051 /nfs/dbraw/zinc/71/80/51/1328718051.db2.gz DSZFOQVHVFFBIE-GJZGRUSLSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842861 1328718055 /nfs/dbraw/zinc/71/80/55/1328718055.db2.gz DSZFOQVHVFFBIE-GJZGRUSLSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842861 1328718059 /nfs/dbraw/zinc/71/80/59/1328718059.db2.gz DSZFOQVHVFFBIE-GJZGRUSLSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1nnsc1[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930265385 1328822733 /nfs/dbraw/zinc/82/27/33/1328822733.db2.gz DIHVPDLYWGYIHX-ZDUSSCGKSA-N 2 2 331.489 3.320 10 0 EGAELP Cc1[nH]c(C[NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)c(C)[nH+]1 ZINC000930478272 1328868153 /nfs/dbraw/zinc/86/81/53/1328868153.db2.gz YYZOWVOJRBLXNV-NORZTCDRSA-N 2 2 336.480 3.150 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c[nH+]1 ZINC000921518837 1322337743 /nfs/dbraw/zinc/33/77/43/1322337743.db2.gz YOMQLSULCVYRSN-FFZOFVMBSA-N 2 2 325.456 3.226 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC000921588209 1322359464 /nfs/dbraw/zinc/35/94/64/1322359464.db2.gz GALLNELCWPGFHM-GVDBMIGSSA-N 2 2 329.419 3.306 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921921656 1322423618 /nfs/dbraw/zinc/42/36/18/1322423618.db2.gz IJTVYSXHNAMICP-XLBJILASSA-N 2 2 343.515 3.402 10 0 EGAELP CC[N@H+](Cc1ccc(C(=O)OCc2ccc(N)[nH+]c2)cc1)C(C)C ZINC000922404005 1322520673 /nfs/dbraw/zinc/52/06/73/1322520673.db2.gz GFKXRORZRVJZBN-UHFFFAOYSA-N 2 2 327.428 3.251 10 0 EGAELP CC[N@@H+](Cc1ccc(C(=O)OCc2ccc(N)[nH+]c2)cc1)C(C)C ZINC000922404005 1322520676 /nfs/dbraw/zinc/52/06/76/1322520676.db2.gz GFKXRORZRVJZBN-UHFFFAOYSA-N 2 2 327.428 3.251 10 0 EGAELP Cc1[nH+]cc(CN[C@H](CC[NH+](C)C)c2cccnc2)n1-c1ccccc1 ZINC000922628250 1322574845 /nfs/dbraw/zinc/57/48/45/1322574845.db2.gz PLHGXAZTHBYKMF-OAQYLSRUSA-N 2 2 349.482 3.358 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000922956202 1322660797 /nfs/dbraw/zinc/66/07/97/1322660797.db2.gz QRDDIYHEHFZZBN-KTBYTZPXSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000922956202 1322660803 /nfs/dbraw/zinc/66/08/03/1322660803.db2.gz QRDDIYHEHFZZBN-KTBYTZPXSA-N 2 2 328.500 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000924324479 1322981631 /nfs/dbraw/zinc/98/16/31/1322981631.db2.gz UCDSKCLQKKWCGA-ZDUSSCGKSA-N 2 2 343.475 3.143 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C)n1 ZINC000924767534 1323152130 /nfs/dbraw/zinc/15/21/30/1323152130.db2.gz BFRMTPZXNVYJRO-XLIONFOSSA-N 2 2 349.482 3.415 10 0 EGAELP CC1=C(C)C[C@](C)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000931216071 1329072800 /nfs/dbraw/zinc/07/28/00/1329072800.db2.gz BOGDEDWTVUKDPK-OAQYLSRUSA-N 2 2 347.547 3.188 10 0 EGAELP Cc1nn(C)cc1C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931225109 1329074864 /nfs/dbraw/zinc/07/48/64/1329074864.db2.gz QESYXRSYCICVGV-NHCUHLMSSA-N 2 2 338.499 3.073 10 0 EGAELP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000925057724 1323259619 /nfs/dbraw/zinc/25/96/19/1323259619.db2.gz SXJNTOGOHHBOPK-YJBOKZPZSA-N 2 2 349.906 3.345 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533429 1325195391 /nfs/dbraw/zinc/19/53/91/1325195391.db2.gz BBAPWELBWVRDSI-GTAWCEEGSA-N 3 2 329.532 3.393 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533429 1325195398 /nfs/dbraw/zinc/19/53/98/1325195398.db2.gz BBAPWELBWVRDSI-GTAWCEEGSA-N 3 2 329.532 3.393 10 0 EGAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925561675 1325210460 /nfs/dbraw/zinc/21/04/60/1325210460.db2.gz RWSDWCISKWJJKK-FGTMMUONSA-N 2 2 349.906 3.080 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565230 1325212676 /nfs/dbraw/zinc/21/26/76/1325212676.db2.gz YLGPRENPNMZXHC-UYAOXDASSA-N 3 2 329.532 3.455 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608428 1325229923 /nfs/dbraw/zinc/22/99/23/1325229923.db2.gz XQPXDNLIJAKEGN-HHXXYDBFSA-N 3 2 330.520 3.103 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000925766087 1325290718 /nfs/dbraw/zinc/29/07/18/1325290718.db2.gz GKGDZILFQYGUGG-IOMROCGXSA-N 2 2 336.483 3.054 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000925766087 1325290721 /nfs/dbraw/zinc/29/07/21/1325290721.db2.gz GKGDZILFQYGUGG-IOMROCGXSA-N 2 2 336.483 3.054 10 0 EGAELP C[NH+](C)CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825637 1325318918 /nfs/dbraw/zinc/31/89/18/1325318918.db2.gz AZWGYGHKYPCETB-WOJBJXKFSA-N 3 2 326.488 3.144 10 0 EGAELP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ncc(Br)cc1F ZINC000925839209 1325322150 /nfs/dbraw/zinc/32/21/50/1325322150.db2.gz HBALCMIQCKILRP-WDBKCZKBSA-N 2 2 342.256 3.166 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225930 1325481572 /nfs/dbraw/zinc/48/15/72/1325481572.db2.gz ZMEGVCDSSURJQP-OXQOHEQNSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225930 1325481575 /nfs/dbraw/zinc/48/15/75/1325481575.db2.gz ZMEGVCDSSURJQP-OXQOHEQNSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926425478 1325549684 /nfs/dbraw/zinc/54/96/84/1325549684.db2.gz YVOLWMOSTDNPAK-KDOFPFPSSA-N 2 2 330.451 3.312 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926484652 1325571815 /nfs/dbraw/zinc/57/18/15/1325571815.db2.gz DBKCSAIIZFVKRJ-CVEARBPZSA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926484652 1325571822 /nfs/dbraw/zinc/57/18/22/1325571822.db2.gz DBKCSAIIZFVKRJ-CVEARBPZSA-N 2 2 327.394 3.249 10 0 EGAELP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000926636648 1327647294 /nfs/dbraw/zinc/64/72/94/1327647294.db2.gz WFNCGNLVBQMBNX-IRLDBZIGSA-N 3 2 343.559 3.432 10 0 EGAELP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000926636648 1327647300 /nfs/dbraw/zinc/64/73/00/1327647300.db2.gz WFNCGNLVBQMBNX-IRLDBZIGSA-N 3 2 343.559 3.432 10 0 EGAELP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957460 1327796293 /nfs/dbraw/zinc/79/62/93/1327796293.db2.gz IEZMEAFIQNNVMC-ICSRJNTNSA-N 2 2 346.515 3.072 10 0 EGAELP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957460 1327796300 /nfs/dbraw/zinc/79/63/00/1327796300.db2.gz IEZMEAFIQNNVMC-ICSRJNTNSA-N 2 2 346.515 3.072 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)C[NH+](C)C ZINC000926961640 1327798690 /nfs/dbraw/zinc/79/86/90/1327798690.db2.gz JTYDIMRDRXYRSX-JSGCOSHPSA-N 2 2 327.538 3.366 10 0 EGAELP c1ccc(SC2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927102768 1327863627 /nfs/dbraw/zinc/86/36/27/1327863627.db2.gz LVQJBKBDKPDPRY-URSIVYNOSA-N 2 2 332.513 3.153 10 0 EGAELP c1ccc(SC2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927102768 1327863633 /nfs/dbraw/zinc/86/36/33/1327863633.db2.gz LVQJBKBDKPDPRY-URSIVYNOSA-N 2 2 332.513 3.153 10 0 EGAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862453310 1329488390 /nfs/dbraw/zinc/48/83/90/1329488390.db2.gz KUIVDWLDWORFRD-UHFFFAOYSA-N 2 2 341.540 3.055 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548477 1329562335 /nfs/dbraw/zinc/56/23/35/1329562335.db2.gz XQNXHFHXQOVGIA-ZWOKBUDYSA-N 3 2 345.531 3.472 10 0 EGAELP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000863984658 1329592901 /nfs/dbraw/zinc/59/29/01/1329592901.db2.gz XULXRVJVRCNNHV-NVXWUHKLSA-N 2 2 344.459 3.127 10 0 EGAELP Fc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnc1Cl ZINC000865408027 1329692911 /nfs/dbraw/zinc/69/29/11/1329692911.db2.gz QDIVBEQMJKKIHY-UHFFFAOYSA-N 2 2 333.838 3.412 10 0 EGAELP Fc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnc1Cl ZINC000865408027 1329692912 /nfs/dbraw/zinc/69/29/12/1329692912.db2.gz QDIVBEQMJKKIHY-UHFFFAOYSA-N 2 2 333.838 3.412 10 0 EGAELP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccn1 ZINC000866266840 1330087682 /nfs/dbraw/zinc/08/76/82/1330087682.db2.gz SDXKRWDRAJBRPJ-RBUKOAKNSA-N 2 2 331.504 3.464 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611777 1330132791 /nfs/dbraw/zinc/13/27/91/1330132791.db2.gz WUIDMKGTAVZXLD-RHSMWYFYSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611777 1330132793 /nfs/dbraw/zinc/13/27/93/1330132793.db2.gz WUIDMKGTAVZXLD-RHSMWYFYSA-N 2 2 349.450 3.194 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702896 1330142593 /nfs/dbraw/zinc/14/25/93/1330142593.db2.gz DMNZDWWNMUPUTK-IFXJQAMLSA-N 2 2 349.544 3.432 10 0 EGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702896 1330142594 /nfs/dbraw/zinc/14/25/94/1330142594.db2.gz DMNZDWWNMUPUTK-IFXJQAMLSA-N 2 2 349.544 3.432 10 0 EGAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001323157521 1387303862 /nfs/dbraw/zinc/30/38/62/1387303862.db2.gz DONGTWOGFSNUEL-SJLPKXTDSA-N 2 2 348.535 3.006 10 0 EGAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302480 1387328429 /nfs/dbraw/zinc/32/84/29/1387328429.db2.gz OLFZXSYDMGSPKU-PMACEKPBSA-N 2 2 345.531 3.114 10 0 EGAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302480 1387328434 /nfs/dbraw/zinc/32/84/34/1387328434.db2.gz OLFZXSYDMGSPKU-PMACEKPBSA-N 2 2 345.531 3.114 10 0 EGAELP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324161518 1387549395 /nfs/dbraw/zinc/54/93/95/1387549395.db2.gz GYGJZQFBLUQBCB-SHCNBLLESA-N 2 2 340.471 3.193 10 0 EGAELP Cc1nc(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cs1 ZINC001197589468 1368847024 /nfs/dbraw/zinc/84/70/24/1368847024.db2.gz LBOAMTAHLHHTSA-AZUAARDMSA-N 2 2 341.524 3.448 10 0 EGAELP Cc1nc(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cs1 ZINC001197589468 1368847028 /nfs/dbraw/zinc/84/70/28/1368847028.db2.gz LBOAMTAHLHHTSA-AZUAARDMSA-N 2 2 341.524 3.448 10 0 EGAELP Cc1nc(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cs1 ZINC001197589468 1368847030 /nfs/dbraw/zinc/84/70/30/1368847030.db2.gz LBOAMTAHLHHTSA-AZUAARDMSA-N 2 2 341.524 3.448 10 0 EGAELP Cc1nc(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cs1 ZINC001197589468 1368847034 /nfs/dbraw/zinc/84/70/34/1368847034.db2.gz LBOAMTAHLHHTSA-AZUAARDMSA-N 2 2 341.524 3.448 10 0 EGAELP C[N@@H+]1C[C@]23C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@@]2(C1)CCCC3 ZINC001198820886 1369121655 /nfs/dbraw/zinc/12/16/55/1369121655.db2.gz NAFOHVWOWKBGTR-CALCHBBNSA-N 2 2 339.405 3.408 10 0 EGAELP C[N@H+]1C[C@]23C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@@]2(C1)CCCC3 ZINC001198820886 1369121659 /nfs/dbraw/zinc/12/16/59/1369121659.db2.gz NAFOHVWOWKBGTR-CALCHBBNSA-N 2 2 339.405 3.408 10 0 EGAELP C[NH+]1C[C@]23C[N@H+](Cc4ccc(C(F)(F)F)cn4)C[C@@]2(C1)CCCC3 ZINC001198820886 1369121661 /nfs/dbraw/zinc/12/16/61/1369121661.db2.gz NAFOHVWOWKBGTR-CALCHBBNSA-N 2 2 339.405 3.408 10 0 EGAELP C[NH+]1C[C@]23C[N@@H+](Cc4ccc(C(F)(F)F)cn4)C[C@@]2(C1)CCCC3 ZINC001198820886 1369121666 /nfs/dbraw/zinc/12/16/66/1369121666.db2.gz NAFOHVWOWKBGTR-CALCHBBNSA-N 2 2 339.405 3.408 10 0 EGAELP CC/C=C\CC[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001327213925 1388448459 /nfs/dbraw/zinc/44/84/59/1388448459.db2.gz YSFVLWLCIYJKRG-SREVYHEPSA-N 2 2 342.487 3.393 10 0 EGAELP CC/C=C\CC[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001327213925 1388448460 /nfs/dbraw/zinc/44/84/60/1388448460.db2.gz YSFVLWLCIYJKRG-SREVYHEPSA-N 2 2 342.487 3.393 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC001265873324 1377170798 /nfs/dbraw/zinc/17/07/98/1377170798.db2.gz RJEFTPJCFUZOBN-JKSUJKDBSA-N 2 2 342.487 3.036 10 0 EGAELP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266844324 1377392488 /nfs/dbraw/zinc/39/24/88/1377392488.db2.gz JHVHMGSYSXOPDV-INIZCTEOSA-N 2 2 328.460 3.337 10 0 EGAELP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266844324 1377392489 /nfs/dbraw/zinc/39/24/89/1377392489.db2.gz JHVHMGSYSXOPDV-INIZCTEOSA-N 2 2 328.460 3.337 10 0 EGAELP CC/C=C/CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268276297 1377505524 /nfs/dbraw/zinc/50/55/24/1377505524.db2.gz DDPNTEMNYXWALV-ZGKJDNBHSA-N 2 2 346.519 3.157 10 0 EGAELP CC(C)c1ccc([C@H](C)[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001268963949 1377534342 /nfs/dbraw/zinc/53/43/42/1377534342.db2.gz AUDTZSWVTCFJAF-KRWDZBQOSA-N 2 2 342.487 3.206 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001269693655 1377564544 /nfs/dbraw/zinc/56/45/44/1377564544.db2.gz XQNUGSYEBOOTSH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001269693655 1377564547 /nfs/dbraw/zinc/56/45/47/1377564547.db2.gz XQNUGSYEBOOTSH-DPZZJQGRSA-N 2 2 344.503 3.013 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001269756533 1377569519 /nfs/dbraw/zinc/56/95/19/1377569519.db2.gz YFOZGDQGTBLJEH-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP CC(C)=CC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001270125238 1377595157 /nfs/dbraw/zinc/59/51/57/1377595157.db2.gz VMWGEYVTCNFMEE-UHFFFAOYSA-N 2 2 346.519 3.111 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC001282683002 1378554975 /nfs/dbraw/zinc/55/49/75/1378554975.db2.gz VOYPINVDFVJKOA-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC1CCCCCC1 ZINC001282683002 1378554978 /nfs/dbraw/zinc/55/49/78/1378554978.db2.gz VOYPINVDFVJKOA-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]CC2CC(C)(C)C2)c[nH+]1 ZINC001283191918 1378758184 /nfs/dbraw/zinc/75/81/84/1378758184.db2.gz MHUHMSDBFGVWBR-HNNXBMFYSA-N 2 2 348.535 3.237 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COCc1ccc(C)cc1 ZINC001146987429 1378951871 /nfs/dbraw/zinc/95/18/71/1378951871.db2.gz UJXFRQVDNVGFIF-UHFFFAOYSA-N 2 2 336.395 3.039 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284065842 1379422536 /nfs/dbraw/zinc/42/25/36/1379422536.db2.gz DKAMCMBCQNPSII-IMFGXOCKSA-N 2 2 346.519 3.384 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284065842 1379422542 /nfs/dbraw/zinc/42/25/42/1379422542.db2.gz DKAMCMBCQNPSII-IMFGXOCKSA-N 2 2 346.519 3.384 10 0 EGAELP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001328028618 1388648740 /nfs/dbraw/zinc/64/87/40/1388648740.db2.gz GAPNGCWVLQEWQV-OSJSJHBBSA-N 2 2 332.492 3.161 10 0 EGAELP CCCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001328038379 1388651181 /nfs/dbraw/zinc/65/11/81/1388651181.db2.gz GQADPORZRDFAIP-UHFFFAOYSA-N 2 2 334.508 3.238 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097674 1388669808 /nfs/dbraw/zinc/66/98/08/1388669808.db2.gz HRJKLCSIWXJFAO-QAPCUYQASA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097674 1388669810 /nfs/dbraw/zinc/66/98/10/1388669810.db2.gz HRJKLCSIWXJFAO-QAPCUYQASA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097674 1388669813 /nfs/dbraw/zinc/66/98/13/1388669813.db2.gz HRJKLCSIWXJFAO-QAPCUYQASA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097674 1388669815 /nfs/dbraw/zinc/66/98/15/1388669815.db2.gz HRJKLCSIWXJFAO-QAPCUYQASA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734492 1388833322 /nfs/dbraw/zinc/83/33/22/1388833322.db2.gz XIVRYOTZIMGOLP-INIZCTEOSA-N 2 2 326.444 3.066 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734492 1388833323 /nfs/dbraw/zinc/83/33/23/1388833323.db2.gz XIVRYOTZIMGOLP-INIZCTEOSA-N 2 2 326.444 3.066 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001168096941 1383815817 /nfs/dbraw/zinc/81/58/17/1383815817.db2.gz PCUKLZPULKCWFS-UHFFFAOYSA-N 2 2 326.387 3.013 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001313445142 1384424193 /nfs/dbraw/zinc/42/41/93/1384424193.db2.gz SCMINRBDOUANSJ-KRWDZBQOSA-N 2 2 344.503 3.041 10 0 EGAELP 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ZINC001690791327 1404737322 /nfs/dbraw/zinc/73/73/22/1404737322.db2.gz YDLGOULHBAHCIH-RBUKOAKNSA-N 2 2 344.503 3.181 10 0 EGAELP CC1CCC(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690919545 1404829532 /nfs/dbraw/zinc/82/95/32/1404829532.db2.gz RZEUPFPBBPPHDV-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP CC1CCC(C[N@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690919545 1404829538 /nfs/dbraw/zinc/82/95/38/1404829538.db2.gz RZEUPFPBBPPHDV-CTWPCTMYSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001725412893 1426057434 /nfs/dbraw/zinc/05/74/34/1426057434.db2.gz LNEAXWNFLIQJJI-CVEARBPZSA-N 2 2 342.487 3.205 10 0 EGAELP CCCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691238365 1405177554 /nfs/dbraw/zinc/17/75/54/1405177554.db2.gz XMSBMIZHKADWHQ-DLBZAZTESA-N 2 2 342.487 3.403 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001691637204 1405373305 /nfs/dbraw/zinc/37/33/05/1405373305.db2.gz VOZACFNDJKOGLT-GNAXCBTBSA-N 2 2 346.519 3.380 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787812 1405496949 /nfs/dbraw/zinc/49/69/49/1405496949.db2.gz UDSTXYZGIRDEHX-HKUYNNGSSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787812 1405496951 /nfs/dbraw/zinc/49/69/51/1405496951.db2.gz UDSTXYZGIRDEHX-HKUYNNGSSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787812 1405496953 /nfs/dbraw/zinc/49/69/53/1405496953.db2.gz UDSTXYZGIRDEHX-HKUYNNGSSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787812 1405496955 /nfs/dbraw/zinc/49/69/55/1405496955.db2.gz UDSTXYZGIRDEHX-HKUYNNGSSA-N 2 2 348.535 3.337 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001691798745 1405511050 /nfs/dbraw/zinc/51/10/50/1405511050.db2.gz OEGJZHXMGIVQLC-KRWDZBQOSA-N 2 2 348.535 3.400 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001691798745 1405511052 /nfs/dbraw/zinc/51/10/52/1405511052.db2.gz OEGJZHXMGIVQLC-KRWDZBQOSA-N 2 2 348.535 3.400 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691818993 1405535441 /nfs/dbraw/zinc/53/54/41/1405535441.db2.gz NUZFTRJLCGKHED-INIZCTEOSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691818993 1405535443 /nfs/dbraw/zinc/53/54/43/1405535443.db2.gz NUZFTRJLCGKHED-INIZCTEOSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823747 1405540211 /nfs/dbraw/zinc/54/02/11/1405540211.db2.gz VXXGOUNCHKDYHN-QGZVFWFLSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823747 1405540208 /nfs/dbraw/zinc/54/02/08/1405540208.db2.gz VXXGOUNCHKDYHN-QGZVFWFLSA-N 2 2 348.535 3.316 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001691960910 1405678314 /nfs/dbraw/zinc/67/83/14/1405678314.db2.gz XJDRDGMZZGCHHB-VGOKWCNXSA-N 2 2 344.503 3.012 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001692192094 1405831177 /nfs/dbraw/zinc/83/11/77/1405831177.db2.gz MVZUUGBVNKTQJX-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001692192094 1405831169 /nfs/dbraw/zinc/83/11/69/1405831169.db2.gz MVZUUGBVNKTQJX-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001692326652 1405946069 /nfs/dbraw/zinc/94/60/69/1405946069.db2.gz ZUCAPMVUCZGDIW-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1)n1cc[nH+]c1 ZINC001732312180 1428524828 /nfs/dbraw/zinc/52/48/28/1428524828.db2.gz QWTNQDIGYYQKKJ-XIRDDKMYSA-N 2 2 346.500 3.113 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001732490058 1428612899 /nfs/dbraw/zinc/61/28/99/1428612899.db2.gz XDLMWLIGOPRLNA-MAUKXSAKSA-N 2 2 340.471 3.049 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001699163195 1412545597 /nfs/dbraw/zinc/54/55/97/1412545597.db2.gz KAKFDMQNGJYEDK-DLBZAZTESA-N 2 2 342.487 3.252 10 0 EGAELP CCN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001699194454 1412564941 /nfs/dbraw/zinc/56/49/41/1412564941.db2.gz LVZXDEQGBIOSGC-GOSISDBHSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699482586 1412877720 /nfs/dbraw/zinc/87/77/20/1412877720.db2.gz RITNDYNZQICTPM-SJORKVTESA-N 2 2 340.471 3.179 10 0 EGAELP C[C@@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001699537778 1412911942 /nfs/dbraw/zinc/91/19/42/1412911942.db2.gz MQJOYBYKVNTFJS-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732539874 1428688828 /nfs/dbraw/zinc/68/88/28/1428688828.db2.gz MMPXQUYFDOQAAN-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732539874 1428688833 /nfs/dbraw/zinc/68/88/33/1428688833.db2.gz MMPXQUYFDOQAAN-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001699855261 1413286045 /nfs/dbraw/zinc/28/60/45/1413286045.db2.gz KCCOJIXBBOFROU-OXJNMPFZSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001699855261 1413286050 /nfs/dbraw/zinc/28/60/50/1413286050.db2.gz KCCOJIXBBOFROU-OXJNMPFZSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001699855261 1413286053 /nfs/dbraw/zinc/28/60/53/1413286053.db2.gz KCCOJIXBBOFROU-OXJNMPFZSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001699855261 1413286056 /nfs/dbraw/zinc/28/60/56/1413286056.db2.gz KCCOJIXBBOFROU-OXJNMPFZSA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016111 1413461860 /nfs/dbraw/zinc/46/18/60/1413461860.db2.gz IQLPMCQDDRDXRR-RBUKOAKNSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016111 1413461862 /nfs/dbraw/zinc/46/18/62/1413461862.db2.gz IQLPMCQDDRDXRR-RBUKOAKNSA-N 2 2 346.519 3.165 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353206 1413848442 /nfs/dbraw/zinc/84/84/42/1413848442.db2.gz LLXZDFJRMAEEJS-CRAIPNDOSA-N 2 2 342.487 3.225 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700353206 1413848452 /nfs/dbraw/zinc/84/84/52/1413848452.db2.gz LLXZDFJRMAEEJS-CRAIPNDOSA-N 2 2 342.487 3.225 10 0 EGAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001700478146 1414109667 /nfs/dbraw/zinc/10/96/67/1414109667.db2.gz UWUCAHDWNKTRKZ-DLBZAZTESA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001700478146 1414109671 /nfs/dbraw/zinc/10/96/71/1414109671.db2.gz UWUCAHDWNKTRKZ-DLBZAZTESA-N 2 2 346.519 3.241 10 0 EGAELP CCCC[C@@H](C[NH2+]CC=C(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700517584 1414170577 /nfs/dbraw/zinc/17/05/77/1414170577.db2.gz MNHZOSNREGCSDA-SFHVURJKSA-N 2 2 342.487 3.487 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001700620092 1414288248 /nfs/dbraw/zinc/28/82/48/1414288248.db2.gz UFSNWLZUYMBIRT-GOSISDBHSA-N 2 2 346.519 3.339 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001700620092 1414288249 /nfs/dbraw/zinc/28/82/49/1414288249.db2.gz UFSNWLZUYMBIRT-GOSISDBHSA-N 2 2 346.519 3.339 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001700731465 1414395483 /nfs/dbraw/zinc/39/54/83/1414395483.db2.gz RQJQOMPKHMZWHJ-MAUKXSAKSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)CCC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001700974271 1414604485 /nfs/dbraw/zinc/60/44/85/1414604485.db2.gz QFFGTSCYRMELLG-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)CCC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001700974271 1414604486 /nfs/dbraw/zinc/60/44/86/1414604486.db2.gz QFFGTSCYRMELLG-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP CCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732617901 1428880007 /nfs/dbraw/zinc/88/00/07/1428880007.db2.gz JWQNKBASUBTVHW-HOCLYGCPSA-N 2 2 328.460 3.241 10 0 EGAELP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732715873 1428923742 /nfs/dbraw/zinc/92/37/42/1428923742.db2.gz PNFKHIJAWIITEL-MRXNPFEDSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC[NH2+]CC1CC1 ZINC001707140816 1417219252 /nfs/dbraw/zinc/21/92/52/1417219252.db2.gz ZBVOTKRZRYVJSP-KUHUBIRLSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279779 1417288683 /nfs/dbraw/zinc/28/86/83/1417288683.db2.gz GMVPHSPRXDMUKC-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001707279779 1417288686 /nfs/dbraw/zinc/28/86/86/1417288686.db2.gz GMVPHSPRXDMUKC-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CC[C@@H](C)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001707481566 1417378082 /nfs/dbraw/zinc/37/80/82/1417378082.db2.gz METXQQYOKDSMEJ-CQSZACIVSA-N 2 2 328.460 3.193 10 0 EGAELP CC[C@@H](C)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001707481566 1417378083 /nfs/dbraw/zinc/37/80/83/1417378083.db2.gz METXQQYOKDSMEJ-CQSZACIVSA-N 2 2 328.460 3.193 10 0 EGAELP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733051748 1429190148 /nfs/dbraw/zinc/19/01/48/1429190148.db2.gz ABDYALDXAOPGCL-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733051748 1429190149 /nfs/dbraw/zinc/19/01/49/1429190149.db2.gz ABDYALDXAOPGCL-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CCCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001713717460 1418484767 /nfs/dbraw/zinc/48/47/67/1418484767.db2.gz LXAIDYDFDICPLV-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP CCCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001713717460 1418484769 /nfs/dbraw/zinc/48/47/69/1418484769.db2.gz LXAIDYDFDICPLV-RBUKOAKNSA-N 2 2 346.519 3.193 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713732740 1418522004 /nfs/dbraw/zinc/52/20/04/1418522004.db2.gz NINAOFCRAIKPTK-LIMHQNJXSA-N 2 2 340.471 3.132 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713732740 1418522007 /nfs/dbraw/zinc/52/20/07/1418522007.db2.gz NINAOFCRAIKPTK-LIMHQNJXSA-N 2 2 340.471 3.132 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713790090 1418607437 /nfs/dbraw/zinc/60/74/37/1418607437.db2.gz HHTDVFHQYQFULX-QZTJIDSGSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713790090 1418607438 /nfs/dbraw/zinc/60/74/38/1418607438.db2.gz HHTDVFHQYQFULX-QZTJIDSGSA-N 2 2 334.508 3.241 10 0 EGAELP CCCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001713857526 1418653883 /nfs/dbraw/zinc/65/38/83/1418653883.db2.gz XTFARZNBRHGIQL-KRWDZBQOSA-N 2 2 334.508 3.022 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900213 1418700311 /nfs/dbraw/zinc/70/03/11/1418700311.db2.gz SDUMXYOURGUVRS-TUYSUELWSA-N 2 2 346.519 3.214 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713900213 1418700314 /nfs/dbraw/zinc/70/03/14/1418700314.db2.gz SDUMXYOURGUVRS-TUYSUELWSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001714144820 1418948479 /nfs/dbraw/zinc/94/84/79/1418948479.db2.gz BVHRMRCDXCJSGR-MRXNPFEDSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001714144820 1418948481 /nfs/dbraw/zinc/94/84/81/1418948481.db2.gz BVHRMRCDXCJSGR-MRXNPFEDSA-N 2 2 346.519 3.187 10 0 EGAELP CC[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1[NH2+]CC=C(C)C ZINC001733198202 1429301070 /nfs/dbraw/zinc/30/10/70/1429301070.db2.gz HWHNSTZJWNMXAH-DLBZAZTESA-N 2 2 340.471 3.131 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448941 1419181480 /nfs/dbraw/zinc/18/14/80/1419181480.db2.gz NQWTTYQWWOKWSP-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448941 1419181482 /nfs/dbraw/zinc/18/14/82/1419181482.db2.gz NQWTTYQWWOKWSP-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448941 1419181485 /nfs/dbraw/zinc/18/14/85/1419181485.db2.gz NQWTTYQWWOKWSP-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448941 1419181486 /nfs/dbraw/zinc/18/14/86/1419181486.db2.gz NQWTTYQWWOKWSP-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2C)c[nH+]1 ZINC001714555194 1419282660 /nfs/dbraw/zinc/28/26/60/1419282660.db2.gz PPCAHRKSEGWELB-KRWDZBQOSA-N 2 2 342.487 3.044 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2C)c[nH+]1 ZINC001714555194 1419282663 /nfs/dbraw/zinc/28/26/63/1419282663.db2.gz PPCAHRKSEGWELB-KRWDZBQOSA-N 2 2 342.487 3.044 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC001714737774 1419488511 /nfs/dbraw/zinc/48/85/11/1419488511.db2.gz SYALMAIJFDASEP-UHFFFAOYSA-N 2 2 339.483 3.486 10 0 EGAELP CC[C@@H](F)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001714825012 1419534864 /nfs/dbraw/zinc/53/48/64/1419534864.db2.gz QKNCRHJSRJLYQY-OAHLLOKOSA-N 2 2 334.439 3.141 10 0 EGAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001714825012 1419534865 /nfs/dbraw/zinc/53/48/65/1419534865.db2.gz QKNCRHJSRJLYQY-OAHLLOKOSA-N 2 2 334.439 3.141 10 0 EGAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H]1CCc2ccccc21 ZINC001715065452 1419802763 /nfs/dbraw/zinc/80/27/63/1419802763.db2.gz RWQIAKIVXZDFBS-VQIMIIECSA-N 2 2 348.450 3.348 10 0 EGAELP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715185852 1419918683 /nfs/dbraw/zinc/91/86/83/1419918683.db2.gz HKQGXKKBZLMYBD-INIZCTEOSA-N 2 2 328.460 3.337 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001715354042 1420054110 /nfs/dbraw/zinc/05/41/10/1420054110.db2.gz QCMGWKJISLXZGU-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001715418173 1420112005 /nfs/dbraw/zinc/11/20/05/1420112005.db2.gz SCUCNQKFQOMDLF-LPHOPBHVSA-N 2 2 340.471 3.113 10 0 EGAELP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715439542 1420124309 /nfs/dbraw/zinc/12/43/09/1420124309.db2.gz XJKPWMMNLHVPEO-ROUUACIJSA-N 2 2 334.508 3.241 10 0 EGAELP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001715844493 1420365848 /nfs/dbraw/zinc/36/58/48/1420365848.db2.gz LJNLXVNKTDBIHY-ONEGZZNKSA-N 2 2 348.450 3.027 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001715933737 1420405877 /nfs/dbraw/zinc/40/58/77/1420405877.db2.gz PNJJUZKKHKNLPJ-SJLPKXTDSA-N 2 2 332.492 3.065 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001716556960 1420759932 /nfs/dbraw/zinc/75/99/32/1420759932.db2.gz XUFQEUCTKZAHCM-UHFFFAOYSA-N 2 2 325.456 3.259 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001716799878 1420932852 /nfs/dbraw/zinc/93/28/52/1420932852.db2.gz RDELIMSZTBFYHT-UHFFFAOYSA-N 2 2 346.519 3.202 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001716901241 1421032402 /nfs/dbraw/zinc/03/24/02/1421032402.db2.gz DOYAYAWQOYXURU-HCZHMGAMSA-N 2 2 346.519 3.225 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001716901241 1421032403 /nfs/dbraw/zinc/03/24/03/1421032403.db2.gz DOYAYAWQOYXURU-HCZHMGAMSA-N 2 2 346.519 3.225 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196951 1421163308 /nfs/dbraw/zinc/16/33/08/1421163308.db2.gz PAEUKWKVVASMOO-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196951 1421163309 /nfs/dbraw/zinc/16/33/09/1421163309.db2.gz PAEUKWKVVASMOO-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001717368748 1421305998 /nfs/dbraw/zinc/30/59/98/1421305998.db2.gz FDJLGDVISUPLDN-KRWDZBQOSA-N 2 2 342.487 3.307 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001717368748 1421306001 /nfs/dbraw/zinc/30/60/01/1421306001.db2.gz FDJLGDVISUPLDN-KRWDZBQOSA-N 2 2 342.487 3.307 10 0 EGAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CCC1CCCCCC1 ZINC001717476602 1421410489 /nfs/dbraw/zinc/41/04/89/1421410489.db2.gz SFPOJHKYTSPSGN-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CCC1CCCCCC1 ZINC001717476602 1421410490 /nfs/dbraw/zinc/41/04/90/1421410490.db2.gz SFPOJHKYTSPSGN-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+](C)CCC1CCCCCC1 ZINC001717476602 1421410491 /nfs/dbraw/zinc/41/04/91/1421410491.db2.gz SFPOJHKYTSPSGN-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+](C)CCC1CCCCCC1 ZINC001717476602 1421410492 /nfs/dbraw/zinc/41/04/92/1421410492.db2.gz SFPOJHKYTSPSGN-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP CCCC[C@@H](C[NH2+]CC=C(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717530049 1421466496 /nfs/dbraw/zinc/46/64/96/1421466496.db2.gz HKCKBGCLJRRZOC-INIZCTEOSA-N 2 2 328.460 3.407 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733429959 1429637509 /nfs/dbraw/zinc/63/75/09/1429637509.db2.gz RCUYGIVRERJHFP-JLTOFOAXSA-N 2 2 331.504 3.495 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001733443928 1429652295 /nfs/dbraw/zinc/65/22/95/1429652295.db2.gz XKKVDUHEMVTBHP-FQEVSTJZSA-N 2 2 348.535 3.007 10 0 EGAELP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733453145 1429666710 /nfs/dbraw/zinc/66/67/10/1429666710.db2.gz UXJRVOVEXGYQLZ-FUTAKVPZSA-N 2 2 346.519 3.163 10 0 EGAELP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733453145 1429666713 /nfs/dbraw/zinc/66/67/13/1429666713.db2.gz UXJRVOVEXGYQLZ-FUTAKVPZSA-N 2 2 346.519 3.163 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001722956493 1424278027 /nfs/dbraw/zinc/27/80/27/1424278027.db2.gz JTRCUGQDRSFIOA-RBUKOAKNSA-N 2 2 346.519 3.118 10 0 EGAELP CC[C@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001723209944 1424321148 /nfs/dbraw/zinc/32/11/48/1424321148.db2.gz BDDJSAGKJVFMKO-KRWDZBQOSA-N 2 2 348.878 3.126 10 0 EGAELP CCC/C=C\CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001723531328 1424453664 /nfs/dbraw/zinc/45/36/64/1424453664.db2.gz ZKJSVLSFIKZEAV-PLNGDYQASA-N 2 2 326.444 3.161 10 0 EGAELP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692350 1424532983 /nfs/dbraw/zinc/53/29/83/1424532983.db2.gz YFQAAFGDSYTFIT-ICSRJNTNSA-N 2 2 346.519 3.339 10 0 EGAELP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723692350 1424532988 /nfs/dbraw/zinc/53/29/88/1424532988.db2.gz YFQAAFGDSYTFIT-ICSRJNTNSA-N 2 2 346.519 3.339 10 0 EGAELP CCCCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001724089455 1424656097 /nfs/dbraw/zinc/65/60/97/1424656097.db2.gz QMWAUNAFQNFSFD-QGZVFWFLSA-N 2 2 342.487 3.403 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001724250497 1424756047 /nfs/dbraw/zinc/75/60/47/1424756047.db2.gz MTVPNKZPCGVVHZ-PXNSSMCTSA-N 2 2 344.503 3.163 10 0 EGAELP CC(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001724958264 1425345685 /nfs/dbraw/zinc/34/56/85/1425345685.db2.gz GSYFIMSNDHNFJL-UHFFFAOYSA-N 2 2 340.471 3.113 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040651 1425466191 /nfs/dbraw/zinc/46/61/91/1425466191.db2.gz KEVFVKRZEQHEQY-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040651 1425466197 /nfs/dbraw/zinc/46/61/97/1425466197.db2.gz KEVFVKRZEQHEQY-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040651 1425466203 /nfs/dbraw/zinc/46/62/03/1425466203.db2.gz KEVFVKRZEQHEQY-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040651 1425466205 /nfs/dbraw/zinc/46/62/05/1425466205.db2.gz KEVFVKRZEQHEQY-YSEKLJNJSA-N 2 2 344.503 3.182 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001725101642 1425547707 /nfs/dbraw/zinc/54/77/07/1425547707.db2.gz HTQFHXOUDCKAEN-SJORKVTESA-N 2 2 342.487 3.080 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001731295120 1427237436 /nfs/dbraw/zinc/23/74/36/1427237436.db2.gz TVUSLEDVALTDTM-FUHWJXTLSA-N 2 2 334.508 3.200 10 0 EGAELP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001731376092 1427309856 /nfs/dbraw/zinc/30/98/56/1427309856.db2.gz ATZSCMXTMIGFEH-XDXAGZTOSA-N 2 2 344.503 3.059 10 0 EGAELP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001731376092 1427309865 /nfs/dbraw/zinc/30/98/65/1427309865.db2.gz ATZSCMXTMIGFEH-XDXAGZTOSA-N 2 2 344.503 3.059 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+][C@H]3CCc4ccccc43)ccn12 ZINC001731592404 1427634094 /nfs/dbraw/zinc/63/40/94/1427634094.db2.gz QNYNOJNWHFKDBV-LIRRHRJNSA-N 2 2 348.450 3.038 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001731597971 1427640701 /nfs/dbraw/zinc/64/07/01/1427640701.db2.gz FUBQAAIABQCOOT-SJLPKXTDSA-N 2 2 334.508 3.145 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001734041800 1437830237 /nfs/dbraw/zinc/83/02/37/1437830237.db2.gz AGXMCUCNIVAJBV-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001734041800 1437830238 /nfs/dbraw/zinc/83/02/38/1437830238.db2.gz AGXMCUCNIVAJBV-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001734088866 1437873998 /nfs/dbraw/zinc/87/39/98/1437873998.db2.gz ZMWDGEWPMZNOLP-OAHLLOKOSA-N 2 2 346.450 3.333 10 0 EGAELP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001734241531 1437956085 /nfs/dbraw/zinc/95/60/85/1437956085.db2.gz FNXYIEXTVAWVKE-IRXDYDNUSA-N 2 2 348.535 3.146 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001734306900 1438039315 /nfs/dbraw/zinc/03/93/15/1438039315.db2.gz NYLQWNXCPGALHH-LPHOPBHVSA-N 2 2 344.503 3.161 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001734496783 1438132871 /nfs/dbraw/zinc/13/28/71/1438132871.db2.gz SQTVYOXUNBZWKH-XFHJGTJQSA-N 2 2 340.471 3.359 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000368090238 168309541 /nfs/dbraw/zinc/30/95/41/168309541.db2.gz QPHMDVZQEHYEQO-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccc(OCc3ccncc3)cc1)CC2 ZINC000368090238 168309545 /nfs/dbraw/zinc/30/95/45/168309545.db2.gz QPHMDVZQEHYEQO-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP CCOc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)F ZINC000368229286 168328490 /nfs/dbraw/zinc/32/84/90/168328490.db2.gz RZDFGWLIJMBTIG-GFCCVEGCSA-N 2 2 337.370 3.057 10 0 EGAELP CCOc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1OC(F)F ZINC000368229286 168328492 /nfs/dbraw/zinc/32/84/92/168328492.db2.gz RZDFGWLIJMBTIG-GFCCVEGCSA-N 2 2 337.370 3.057 10 0 EGAELP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000368560870 168372843 /nfs/dbraw/zinc/37/28/43/168372843.db2.gz HUBQCJNAAAKABE-QGZVFWFLSA-N 2 2 341.430 3.475 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)cc[nH+]1 ZINC000183773744 282187049 /nfs/dbraw/zinc/18/70/49/282187049.db2.gz NAOUBFWULPJSLA-KRWDZBQOSA-N 2 2 328.847 3.248 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000358372730 283140611 /nfs/dbraw/zinc/14/06/11/283140611.db2.gz XAMRMSZOPLRPDU-XWSJACJDSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000358372730 283140614 /nfs/dbraw/zinc/14/06/14/283140614.db2.gz XAMRMSZOPLRPDU-XWSJACJDSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000358372730 283140617 /nfs/dbraw/zinc/14/06/17/283140617.db2.gz XAMRMSZOPLRPDU-XWSJACJDSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000358372730 283140620 /nfs/dbraw/zinc/14/06/20/283140620.db2.gz XAMRMSZOPLRPDU-XWSJACJDSA-N 2 2 333.907 3.302 10 0 EGAELP COc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187032274 236099535 /nfs/dbraw/zinc/09/95/35/236099535.db2.gz SCRUYWMDPJWEAI-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187032274 236099537 /nfs/dbraw/zinc/09/95/37/236099537.db2.gz SCRUYWMDPJWEAI-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187032274 236099538 /nfs/dbraw/zinc/09/95/38/236099538.db2.gz SCRUYWMDPJWEAI-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187032274 236099540 /nfs/dbraw/zinc/09/95/40/236099540.db2.gz SCRUYWMDPJWEAI-OCCSQVGLSA-N 2 2 341.293 3.372 10 0 EGAELP C[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCC[N@@H+]1Cc1ccccc1 ZINC000152976992 291388800 /nfs/dbraw/zinc/38/88/00/291388800.db2.gz AWKCPKXIDDOXSP-HXUWFJFHSA-N 2 2 344.499 3.316 10 0 EGAELP C[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCC[N@H+]1Cc1ccccc1 ZINC000152976992 291388802 /nfs/dbraw/zinc/38/88/02/291388802.db2.gz AWKCPKXIDDOXSP-HXUWFJFHSA-N 2 2 344.499 3.316 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638763 218236136 /nfs/dbraw/zinc/23/61/36/218236136.db2.gz JMZUPQWDZXHUDT-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638763 218236138 /nfs/dbraw/zinc/23/61/38/218236138.db2.gz JMZUPQWDZXHUDT-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638763 218236140 /nfs/dbraw/zinc/23/61/40/218236140.db2.gz JMZUPQWDZXHUDT-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000093638763 218236141 /nfs/dbraw/zinc/23/61/41/218236141.db2.gz JMZUPQWDZXHUDT-OXQOHEQNSA-N 2 2 326.488 3.343 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643951 218237737 /nfs/dbraw/zinc/23/77/37/218237737.db2.gz DZKOOQURSTVWKQ-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643951 218237739 /nfs/dbraw/zinc/23/77/39/218237739.db2.gz DZKOOQURSTVWKQ-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643951 218237741 /nfs/dbraw/zinc/23/77/41/218237741.db2.gz DZKOOQURSTVWKQ-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643951 218237743 /nfs/dbraw/zinc/23/77/43/218237743.db2.gz DZKOOQURSTVWKQ-TZMCWYRMSA-N 2 2 328.403 3.211 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000095410380 218347535 /nfs/dbraw/zinc/34/75/35/218347535.db2.gz ULJNQYKYNNPXTB-LPHOPBHVSA-N 2 2 338.451 3.383 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000095410380 218347537 /nfs/dbraw/zinc/34/75/37/218347537.db2.gz ULJNQYKYNNPXTB-LPHOPBHVSA-N 2 2 338.451 3.383 10 0 EGAELP C[NH+](C)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000268710945 252161188 /nfs/dbraw/zinc/16/11/88/252161188.db2.gz DTWDUQHETMFSIC-UHFFFAOYSA-N 3 2 329.532 3.158 10 0 EGAELP Fc1ccc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2cnccn2)cc1 ZINC000346441271 141195540 /nfs/dbraw/zinc/19/55/40/141195540.db2.gz LFWNWZLNARNJNP-FQEVSTJZSA-N 2 2 347.397 3.185 10 0 EGAELP Fc1ccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000352945038 141274333 /nfs/dbraw/zinc/27/43/33/141274333.db2.gz IKIJWNASUNOEAQ-UHFFFAOYSA-N 2 2 325.391 3.114 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000353444512 141297205 /nfs/dbraw/zinc/29/72/05/141297205.db2.gz VQROWDFWSDOJOR-QHAWAJNXSA-N 3 2 345.506 3.253 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000353444512 141297206 /nfs/dbraw/zinc/29/72/06/141297206.db2.gz VQROWDFWSDOJOR-QHAWAJNXSA-N 3 2 345.506 3.253 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1 ZINC000357969972 141370863 /nfs/dbraw/zinc/37/08/63/141370863.db2.gz FIMZSZXDHPTJNW-UHFFFAOYSA-N 2 2 339.443 3.293 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1 ZINC000357969972 141370865 /nfs/dbraw/zinc/37/08/65/141370865.db2.gz FIMZSZXDHPTJNW-UHFFFAOYSA-N 2 2 339.443 3.293 10 0 EGAELP COCCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000187164617 144153490 /nfs/dbraw/zinc/15/34/90/144153490.db2.gz LSFDCPFXCSIZDN-IBGZPJMESA-N 2 2 338.536 3.018 10 0 EGAELP COCCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000187164617 144153492 /nfs/dbraw/zinc/15/34/92/144153492.db2.gz LSFDCPFXCSIZDN-IBGZPJMESA-N 2 2 338.536 3.018 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000187591119 144161532 /nfs/dbraw/zinc/16/15/32/144161532.db2.gz TZASRVPUKUYNEF-BEFAXECRSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000187591119 144161533 /nfs/dbraw/zinc/16/15/33/144161533.db2.gz TZASRVPUKUYNEF-BEFAXECRSA-N 2 2 343.446 3.230 10 0 EGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187891928 144166065 /nfs/dbraw/zinc/16/60/65/144166065.db2.gz JANFSWHITRFNQT-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000187891928 144166066 /nfs/dbraw/zinc/16/60/66/144166066.db2.gz JANFSWHITRFNQT-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)o1 ZINC000351502163 144270782 /nfs/dbraw/zinc/27/07/82/144270782.db2.gz KKBNIBBBRSMLIV-UHFFFAOYSA-N 2 2 346.446 3.331 10 0 EGAELP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117759170 152115954 /nfs/dbraw/zinc/11/59/54/152115954.db2.gz RMZOAJJPUHENMY-UHFFFAOYSA-N 2 2 344.378 3.014 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000119922397 152238790 /nfs/dbraw/zinc/23/87/90/152238790.db2.gz BWAVUKGFLGSVGU-ZIFCJYIRSA-N 2 2 332.488 3.298 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000119922397 152238791 /nfs/dbraw/zinc/23/87/91/152238791.db2.gz BWAVUKGFLGSVGU-ZIFCJYIRSA-N 2 2 332.488 3.298 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120660582 152291945 /nfs/dbraw/zinc/29/19/45/152291945.db2.gz FUSDIRXXBPTWFB-QYWGDWMGSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120660582 152291951 /nfs/dbraw/zinc/29/19/51/152291951.db2.gz FUSDIRXXBPTWFB-QYWGDWMGSA-N 2 2 340.515 3.078 10 0 EGAELP Oc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121567308 152359504 /nfs/dbraw/zinc/35/95/04/152359504.db2.gz GETAJTJPUUFBQT-FQEVSTJZSA-N 2 2 335.407 3.151 10 0 EGAELP Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121567308 152359509 /nfs/dbraw/zinc/35/95/09/152359509.db2.gz GETAJTJPUUFBQT-FQEVSTJZSA-N 2 2 335.407 3.151 10 0 EGAELP c1csc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000189958451 153109311 /nfs/dbraw/zinc/10/93/11/153109311.db2.gz PUWOAQHBLYPEJY-UHFFFAOYSA-N 2 2 339.468 3.405 10 0 EGAELP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cnn1C(C)C ZINC000191175946 153177126 /nfs/dbraw/zinc/17/71/26/153177126.db2.gz KWHSGOPJBYGUNJ-HNNXBMFYSA-N 2 2 327.476 3.487 10 0 EGAELP Cc1cc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc[nH+]1 ZINC000368587891 157230427 /nfs/dbraw/zinc/23/04/27/157230427.db2.gz BSJFJKXECRXAHN-MRXNPFEDSA-N 2 2 338.455 3.257 10 0 EGAELP CCC[NH+]1CCC(CNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112078187 162162354 /nfs/dbraw/zinc/16/23/54/162162354.db2.gz FURRJWLTPZWFAM-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1ccc(CCC[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c[nH+]1 ZINC000354146009 165974227 /nfs/dbraw/zinc/97/42/27/165974227.db2.gz JSTWMRLTXAQHGH-UHFFFAOYSA-N 2 2 347.462 3.322 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000128794572 162336220 /nfs/dbraw/zinc/33/62/20/162336220.db2.gz XIOWUFLTNFYGIX-PKOBYXMFSA-N 2 2 337.467 3.007 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000128794572 162336222 /nfs/dbraw/zinc/33/62/22/162336222.db2.gz XIOWUFLTNFYGIX-PKOBYXMFSA-N 2 2 337.467 3.007 10 0 EGAELP c1c[nH+]c([C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000249162161 163059325 /nfs/dbraw/zinc/05/93/25/163059325.db2.gz ZHNCIVDFVWTQCM-UYAOXDASSA-N 2 2 347.466 3.006 10 0 EGAELP c1c[nH+]c([C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccncc2)[nH]1 ZINC000249162161 163059329 /nfs/dbraw/zinc/05/93/29/163059329.db2.gz ZHNCIVDFVWTQCM-UYAOXDASSA-N 2 2 347.466 3.006 10 0 EGAELP c1cc2c(ccnc2N2CC[NH+](CCC[NH+]3CCCCC3)CC2)s1 ZINC000344015148 164082832 /nfs/dbraw/zinc/08/28/32/164082832.db2.gz QOUFWACEJIFKPN-UHFFFAOYSA-N 2 2 344.528 3.294 10 0 EGAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344144860 164114142 /nfs/dbraw/zinc/11/41/42/164114142.db2.gz TUAJANRGULVWPJ-AQNXPRMDSA-N 2 2 349.563 3.364 10 0 EGAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344144860 164114143 /nfs/dbraw/zinc/11/41/43/164114143.db2.gz TUAJANRGULVWPJ-AQNXPRMDSA-N 2 2 349.563 3.364 10 0 EGAELP Fc1ccccc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346143167 164348869 /nfs/dbraw/zinc/34/88/69/164348869.db2.gz PTYDZKWOOISPII-UHFFFAOYSA-N 2 2 342.443 3.395 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335180 164370667 /nfs/dbraw/zinc/37/06/67/164370667.db2.gz YOBYNVDJZVNMRV-QFBILLFUSA-N 2 2 340.471 3.431 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335180 164370668 /nfs/dbraw/zinc/37/06/68/164370668.db2.gz YOBYNVDJZVNMRV-QFBILLFUSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335180 164370669 /nfs/dbraw/zinc/37/06/69/164370669.db2.gz YOBYNVDJZVNMRV-QFBILLFUSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335180 164370670 /nfs/dbraw/zinc/37/06/70/164370670.db2.gz YOBYNVDJZVNMRV-QFBILLFUSA-N 2 2 340.471 3.431 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000355378772 166180342 /nfs/dbraw/zinc/18/03/42/166180342.db2.gz ZIWSQVJXRDMDJZ-HNNXBMFYSA-N 2 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000355378772 166180344 /nfs/dbraw/zinc/18/03/44/166180344.db2.gz ZIWSQVJXRDMDJZ-HNNXBMFYSA-N 2 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355378772 166180346 /nfs/dbraw/zinc/18/03/46/166180346.db2.gz ZIWSQVJXRDMDJZ-HNNXBMFYSA-N 3 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355378772 166180351 /nfs/dbraw/zinc/18/03/51/166180351.db2.gz ZIWSQVJXRDMDJZ-HNNXBMFYSA-N 3 2 341.484 3.122 10 0 EGAELP c1nc(-c2ccccn2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355599922 166257091 /nfs/dbraw/zinc/25/70/91/166257091.db2.gz PBZUTSFUKFPVJN-UHFFFAOYSA-N 2 2 328.485 3.312 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366892178 168153329 /nfs/dbraw/zinc/15/33/29/168153329.db2.gz YWSDOVLGWULFIS-UHFFFAOYSA-N 2 2 346.425 3.461 10 0 EGAELP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000367684892 168259208 /nfs/dbraw/zinc/25/92/08/168259208.db2.gz JENLCJFRPXQTLP-GFCCVEGCSA-N 2 2 333.423 3.326 10 0 EGAELP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000367684892 168259210 /nfs/dbraw/zinc/25/92/10/168259210.db2.gz JENLCJFRPXQTLP-GFCCVEGCSA-N 2 2 333.423 3.326 10 0 EGAELP CCc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123308816 222253037 /nfs/dbraw/zinc/25/30/37/222253037.db2.gz VWSHMHKQTYJJFX-RHSMWYFYSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123308816 222253042 /nfs/dbraw/zinc/25/30/42/222253042.db2.gz VWSHMHKQTYJJFX-RHSMWYFYSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123308816 222253044 /nfs/dbraw/zinc/25/30/44/222253044.db2.gz VWSHMHKQTYJJFX-RHSMWYFYSA-N 2 2 328.456 3.270 10 0 EGAELP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123308816 222253048 /nfs/dbraw/zinc/25/30/48/222253048.db2.gz VWSHMHKQTYJJFX-RHSMWYFYSA-N 2 2 328.456 3.270 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCS2 ZINC000187050304 265574486 /nfs/dbraw/zinc/57/44/86/265574486.db2.gz KJIHADOUEXXXRJ-FUHWJXTLSA-N 2 2 334.529 3.277 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250268429 266263140 /nfs/dbraw/zinc/26/31/40/266263140.db2.gz KVNWRNIIUHVKPN-IRXDYDNUSA-N 2 2 337.305 3.380 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250268429 266263145 /nfs/dbraw/zinc/26/31/45/266263145.db2.gz KVNWRNIIUHVKPN-IRXDYDNUSA-N 2 2 337.305 3.380 10 0 EGAELP CCc1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000274819062 267291916 /nfs/dbraw/zinc/29/19/16/267291916.db2.gz JKVCRQSCKNUBIY-HOCLYGCPSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000274819062 267291918 /nfs/dbraw/zinc/29/19/18/267291918.db2.gz JKVCRQSCKNUBIY-HOCLYGCPSA-N 2 2 330.501 3.101 10 0 EGAELP Cc1nc(F)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278510841 268028957 /nfs/dbraw/zinc/02/89/57/268028957.db2.gz WSIGHISQERGMIX-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278510841 268028960 /nfs/dbraw/zinc/02/89/60/268028960.db2.gz WSIGHISQERGMIX-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278510841 268028963 /nfs/dbraw/zinc/02/89/63/268028963.db2.gz WSIGHISQERGMIX-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1nc(F)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278510841 268028968 /nfs/dbraw/zinc/02/89/68/268028968.db2.gz WSIGHISQERGMIX-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822095 275181615 /nfs/dbraw/zinc/18/16/15/275181615.db2.gz KVNWRNIIUHVKPN-IAGOWNOFSA-N 2 2 337.305 3.380 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822095 275181617 /nfs/dbraw/zinc/18/16/17/275181617.db2.gz KVNWRNIIUHVKPN-IAGOWNOFSA-N 2 2 337.305 3.380 10 0 EGAELP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687830 275350026 /nfs/dbraw/zinc/35/00/26/275350026.db2.gz BJBILYXMTASUIU-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687830 275350028 /nfs/dbraw/zinc/35/00/28/275350028.db2.gz BJBILYXMTASUIU-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687830 275350029 /nfs/dbraw/zinc/35/00/29/275350029.db2.gz BJBILYXMTASUIU-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(-c2ccccc2)n1 ZINC000279687830 275350031 /nfs/dbraw/zinc/35/00/31/275350031.db2.gz BJBILYXMTASUIU-UWJYYQICSA-N 2 2 336.483 3.321 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2cccc[nH+]2)CC1 ZINC000279946579 275380090 /nfs/dbraw/zinc/38/00/90/275380090.db2.gz AVYIBEBUAHZYOG-UHFFFAOYSA-N 2 2 338.386 3.104 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287492649 276124800 /nfs/dbraw/zinc/12/48/00/276124800.db2.gz KXGBCLKVZCSNHN-SFHVURJKSA-N 2 2 338.455 3.437 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287492649 276124801 /nfs/dbraw/zinc/12/48/01/276124801.db2.gz KXGBCLKVZCSNHN-SFHVURJKSA-N 2 2 338.455 3.437 10 0 EGAELP COc1cccc([C@H]2C[N@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289343188 276325042 /nfs/dbraw/zinc/32/50/42/276325042.db2.gz MCMMJIBTHFHLGK-HXUWFJFHSA-N 2 2 326.440 3.405 10 0 EGAELP COc1cccc([C@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289343188 276325044 /nfs/dbraw/zinc/32/50/44/276325044.db2.gz MCMMJIBTHFHLGK-HXUWFJFHSA-N 2 2 326.440 3.405 10 0 EGAELP CCC(C)(C)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000126714127 307573707 /nfs/dbraw/zinc/57/37/07/307573707.db2.gz HDKOLFCVXXYZJW-UHFFFAOYSA-N 2 2 345.531 3.130 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000414107931 309061331 /nfs/dbraw/zinc/06/13/31/309061331.db2.gz SUXJLCBRSYQUSL-ZAAXVRCTSA-N 2 2 325.456 3.056 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000414107931 309061332 /nfs/dbraw/zinc/06/13/32/309061332.db2.gz SUXJLCBRSYQUSL-ZAAXVRCTSA-N 2 2 325.456 3.056 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162655 309064076 /nfs/dbraw/zinc/06/40/76/309064076.db2.gz DOLRJEQAFMVVNI-UWJYYQICSA-N 3 2 334.467 3.335 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162655 309064077 /nfs/dbraw/zinc/06/40/77/309064077.db2.gz DOLRJEQAFMVVNI-UWJYYQICSA-N 3 2 334.467 3.335 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000246434087 307975118 /nfs/dbraw/zinc/97/51/18/307975118.db2.gz OCOFRZZWBRNLDA-SOLBZPMBSA-N 2 2 339.487 3.269 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414395612 309077435 /nfs/dbraw/zinc/07/74/35/309077435.db2.gz KNFNKBQTBHQBGD-KSSFIOAISA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414395612 309077436 /nfs/dbraw/zinc/07/74/36/309077436.db2.gz KNFNKBQTBHQBGD-KSSFIOAISA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000414395612 309077437 /nfs/dbraw/zinc/07/74/37/309077437.db2.gz KNFNKBQTBHQBGD-KSSFIOAISA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000414395612 309077438 /nfs/dbraw/zinc/07/74/38/309077438.db2.gz KNFNKBQTBHQBGD-KSSFIOAISA-N 2 2 330.451 3.234 10 0 EGAELP c1cn(-c2csc(C[NH+]3CCC(c4ccncn4)CC3)c2)c[nH+]1 ZINC000414471284 309082507 /nfs/dbraw/zinc/08/25/07/309082507.db2.gz OIQXCHZVMBDWJB-UHFFFAOYSA-N 2 2 325.441 3.103 10 0 EGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000296344132 308417881 /nfs/dbraw/zinc/41/78/81/308417881.db2.gz IOGMXWVJDZLYBW-IINYFYTJSA-N 2 2 338.224 3.450 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OCc1ccccc1 ZINC000414939481 309110308 /nfs/dbraw/zinc/11/03/08/309110308.db2.gz WUAFJYSNUNZSOW-QFBILLFUSA-N 2 2 340.467 3.362 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)cs2)cc1 ZINC000414947568 309110696 /nfs/dbraw/zinc/11/06/96/309110696.db2.gz WTKLXUWWCYBBHB-PBHICJAKSA-N 2 2 331.485 3.118 10 0 EGAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000415022084 309114808 /nfs/dbraw/zinc/11/48/08/309114808.db2.gz VCPDXTHWLSITAG-STQMWFEESA-N 2 2 331.847 3.418 10 0 EGAELP C[C@@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)C[C@@]1(C)C[NH3+] ZINC000415059159 309117448 /nfs/dbraw/zinc/11/74/48/309117448.db2.gz XCTJQMTUOSURGD-RDTXWAMCSA-N 2 2 331.485 3.139 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@@]1(C)C[NH3+] ZINC000415059159 309117449 /nfs/dbraw/zinc/11/74/49/309117449.db2.gz XCTJQMTUOSURGD-RDTXWAMCSA-N 2 2 331.485 3.139 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359044 309284187 /nfs/dbraw/zinc/28/41/87/309284187.db2.gz FNKNEWOYEAJKKU-IERDGZPVSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359044 309284188 /nfs/dbraw/zinc/28/41/88/309284188.db2.gz FNKNEWOYEAJKKU-IERDGZPVSA-N 2 2 337.467 3.242 10 0 EGAELP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1OCCC(C)C ZINC000422565425 309361842 /nfs/dbraw/zinc/36/18/42/309361842.db2.gz ZAKWKYIJLDDLIN-UHFFFAOYSA-N 2 2 332.488 3.448 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(F)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422734158 309365735 /nfs/dbraw/zinc/36/57/35/309365735.db2.gz SCHQVDGTGDUTMY-UXHICEINSA-N 2 2 328.431 3.460 10 0 EGAELP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000422795816 309368934 /nfs/dbraw/zinc/36/89/34/309368934.db2.gz IDMOXWLNQSJOEY-OUNSHVDWSA-N 3 2 333.520 3.185 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CCO)CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422802522 309369294 /nfs/dbraw/zinc/36/92/94/309369294.db2.gz DMAVRUSCJNYMLC-VDGAXYAQSA-N 2 2 334.504 3.123 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCOC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422829970 309370645 /nfs/dbraw/zinc/37/06/45/309370645.db2.gz QFYKKJOBALERQK-WOJBJXKFSA-N 2 2 332.488 3.427 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833446 309370898 /nfs/dbraw/zinc/37/08/98/309370898.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 3 2 330.501 3.118 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833446 309370899 /nfs/dbraw/zinc/37/08/99/309370899.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 3 2 330.501 3.118 10 0 EGAELP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422889103 309374423 /nfs/dbraw/zinc/37/44/23/309374423.db2.gz FDILPIPIUAQTLF-MRXNPFEDSA-N 3 2 342.487 3.066 10 0 EGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947730 309377524 /nfs/dbraw/zinc/37/75/24/309377524.db2.gz YSICLUARIBUPRN-FXAWDEMLSA-N 2 2 340.467 3.122 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(O)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422986160 309379684 /nfs/dbraw/zinc/37/96/84/309379684.db2.gz GNWDUBNIQCAPKR-VQTJNVASSA-N 2 2 326.440 3.026 10 0 EGAELP CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422990938 309379809 /nfs/dbraw/zinc/37/98/09/309379809.db2.gz OUEBETWNVZYNQD-JWFWCLOMSA-N 2 2 328.500 3.244 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000422990617 309379877 /nfs/dbraw/zinc/37/98/77/309379877.db2.gz NYIJZVSJBIMDPW-CZGNIMDHSA-N 2 2 346.515 3.409 10 0 EGAELP Fc1ccc(C2=CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423036888 309382207 /nfs/dbraw/zinc/38/22/07/309382207.db2.gz AVFSNIQMOQSOFS-ZCNNSNEGSA-N 2 2 330.447 3.118 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423075910 309384589 /nfs/dbraw/zinc/38/45/89/309384589.db2.gz XXWALXWBLTZDRO-JTNHKYCSSA-N 2 2 327.266 3.249 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOCC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161557 309388798 /nfs/dbraw/zinc/38/87/98/309388798.db2.gz JCUZMQZWIVNRKL-UXHICEINSA-N 2 2 332.488 3.285 10 0 EGAELP COCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000423167570 309388952 /nfs/dbraw/zinc/38/89/52/309388952.db2.gz SJPZBAULXCLXAN-RTBURBONSA-N 2 2 332.488 3.285 10 0 EGAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423233008 309391713 /nfs/dbraw/zinc/39/17/13/309391713.db2.gz DBRYLUWZLYKXLQ-YJBOKZPZSA-N 2 2 344.455 3.071 10 0 EGAELP CC(C)c1nc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cs1 ZINC000423238018 309391754 /nfs/dbraw/zinc/39/17/54/309391754.db2.gz UUMXRSIYGJRZTM-CYBMUJFWSA-N 2 2 331.489 3.244 10 0 EGAELP Cn1ccc([C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423345201 309396383 /nfs/dbraw/zinc/39/63/83/309396383.db2.gz OURHUGIZVYTDHF-ZWKOTPCHSA-N 2 2 332.879 3.142 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423352635 309396613 /nfs/dbraw/zinc/39/66/13/309396613.db2.gz ACBBYINZBBXLGV-RLFYNMQTSA-N 2 2 332.492 3.209 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000423376808 309397757 /nfs/dbraw/zinc/39/77/57/309397757.db2.gz YPZBKSOOCUBZRJ-VBHSOAQHSA-N 2 2 332.879 3.483 10 0 EGAELP [NH3+]C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518958 309404287 /nfs/dbraw/zinc/40/42/87/309404287.db2.gz CVOCRPNTHMLEAK-PMACEKPBSA-N 3 2 327.516 3.148 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000437990676 309804665 /nfs/dbraw/zinc/80/46/65/309804665.db2.gz FZXUPSHATQSWPA-TZIWHRDSSA-N 2 2 336.483 3.417 10 0 EGAELP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449072135 310034760 /nfs/dbraw/zinc/03/47/60/310034760.db2.gz JPMJJOFQWKOAHQ-IBGZPJMESA-N 3 2 331.548 3.402 10 0 EGAELP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449072135 310034761 /nfs/dbraw/zinc/03/47/61/310034761.db2.gz JPMJJOFQWKOAHQ-IBGZPJMESA-N 3 2 331.548 3.402 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000449671296 310079680 /nfs/dbraw/zinc/07/96/80/310079680.db2.gz ZHRSXIFQAQRFIH-CQSZACIVSA-N 2 2 329.410 3.139 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000449671296 310079681 /nfs/dbraw/zinc/07/96/81/310079681.db2.gz ZHRSXIFQAQRFIH-CQSZACIVSA-N 2 2 329.410 3.139 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561319 310130212 /nfs/dbraw/zinc/13/02/12/310130212.db2.gz HCICJNDNRWZBEG-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561319 310130213 /nfs/dbraw/zinc/13/02/13/310130213.db2.gz HCICJNDNRWZBEG-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561319 310130214 /nfs/dbraw/zinc/13/02/14/310130214.db2.gz HCICJNDNRWZBEG-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561319 310130215 /nfs/dbraw/zinc/13/02/15/310130215.db2.gz HCICJNDNRWZBEG-WIYYLYMNSA-N 2 2 340.515 3.288 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)c[nH+]1 ZINC000450718295 310139004 /nfs/dbraw/zinc/13/90/04/310139004.db2.gz SNBPHQPMDURGDX-UHFFFAOYSA-N 2 2 331.489 3.304 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058491 310254775 /nfs/dbraw/zinc/25/47/75/310254775.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453058491 310254776 /nfs/dbraw/zinc/25/47/76/310254776.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058491 310254777 /nfs/dbraw/zinc/25/47/77/310254777.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453058491 310254778 /nfs/dbraw/zinc/25/47/78/310254778.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058491 310254779 /nfs/dbraw/zinc/25/47/79/310254779.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453058491 310254780 /nfs/dbraw/zinc/25/47/80/310254780.db2.gz KUHPVZLJSWTTHL-KXBFYZLASA-N 2 2 345.466 3.277 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@H](C)C2(OC)CCOCC2)[NH+](C)C)cc1 ZINC000453064492 310255510 /nfs/dbraw/zinc/25/55/10/310255510.db2.gz WOTOSOFYOZRJOW-APWZRJJASA-N 2 2 334.504 3.025 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2sccc21 ZINC000453080550 310256592 /nfs/dbraw/zinc/25/65/92/310256592.db2.gz BEEAQINNPVEDLQ-OIISXLGYSA-N 2 2 349.544 3.219 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2sccc21 ZINC000453080550 310256593 /nfs/dbraw/zinc/25/65/93/310256593.db2.gz BEEAQINNPVEDLQ-OIISXLGYSA-N 2 2 349.544 3.219 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453089431 310257178 /nfs/dbraw/zinc/25/71/78/310257178.db2.gz NZXSVNVSIKPFBA-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453089431 310257179 /nfs/dbraw/zinc/25/71/79/310257179.db2.gz NZXSVNVSIKPFBA-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)[NH+]1CCCC1 ZINC000453094872 310257504 /nfs/dbraw/zinc/25/75/04/310257504.db2.gz UPKDQJGZNIEGNN-FUHWJXTLSA-N 2 2 326.525 3.061 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2cnccn2)c(C)c1 ZINC000453162048 310261620 /nfs/dbraw/zinc/26/16/20/310261620.db2.gz BSLQPCZQFYIYGT-XLIONFOSSA-N 2 2 335.455 3.252 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265717 310268021 /nfs/dbraw/zinc/26/80/21/310268021.db2.gz NTFVJKKBAWQSAS-WMZOPIPTSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265717 310268022 /nfs/dbraw/zinc/26/80/22/310268022.db2.gz NTFVJKKBAWQSAS-WMZOPIPTSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265713 310268026 /nfs/dbraw/zinc/26/80/26/310268026.db2.gz NTFVJKKBAWQSAS-AEFFLSMTSA-N 2 2 334.504 3.361 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(C)(C)C)cc1 ZINC000453265713 310268027 /nfs/dbraw/zinc/26/80/27/310268027.db2.gz NTFVJKKBAWQSAS-AEFFLSMTSA-N 2 2 334.504 3.361 10 0 EGAELP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459665563 310567430 /nfs/dbraw/zinc/56/74/30/310567430.db2.gz QMPAZACKTMDUKN-OAHLLOKOSA-N 2 2 332.467 3.374 10 0 EGAELP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000491062139 311162682 /nfs/dbraw/zinc/16/26/82/311162682.db2.gz QKEVOGKACUHLES-GPJFCIFZSA-N 2 2 349.563 3.269 10 0 EGAELP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000491062139 311162683 /nfs/dbraw/zinc/16/26/83/311162683.db2.gz QKEVOGKACUHLES-GPJFCIFZSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557887 312189167 /nfs/dbraw/zinc/18/91/67/312189167.db2.gz ZMXHHQJRCGCHDT-RYUDHWBXSA-N 2 2 343.334 3.472 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557887 312189169 /nfs/dbraw/zinc/18/91/69/312189169.db2.gz ZMXHHQJRCGCHDT-RYUDHWBXSA-N 2 2 343.334 3.472 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1F ZINC000528429102 313091220 /nfs/dbraw/zinc/09/12/20/313091220.db2.gz OWZOAUNRLQCFPU-UHFFFAOYSA-N 2 2 344.203 3.446 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1F ZINC000528429102 313091223 /nfs/dbraw/zinc/09/12/23/313091223.db2.gz OWZOAUNRLQCFPU-UHFFFAOYSA-N 2 2 344.203 3.446 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527905 313344502 /nfs/dbraw/zinc/34/45/02/313344502.db2.gz GRCGXBSQCRPTBE-RHSMWYFYSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527905 313344504 /nfs/dbraw/zinc/34/45/04/313344504.db2.gz GRCGXBSQCRPTBE-RHSMWYFYSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527905 313344509 /nfs/dbraw/zinc/34/45/09/313344509.db2.gz GRCGXBSQCRPTBE-RHSMWYFYSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c(F)cc1OC ZINC000529527905 313344511 /nfs/dbraw/zinc/34/45/11/313344511.db2.gz GRCGXBSQCRPTBE-RHSMWYFYSA-N 2 2 338.467 3.395 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569260 313358321 /nfs/dbraw/zinc/35/83/21/313358321.db2.gz MOBVNUGZQWEDRC-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569260 313358326 /nfs/dbraw/zinc/35/83/26/313358326.db2.gz MOBVNUGZQWEDRC-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569260 313358327 /nfs/dbraw/zinc/35/83/27/313358327.db2.gz MOBVNUGZQWEDRC-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1OC ZINC000529569260 313358331 /nfs/dbraw/zinc/35/83/31/313358331.db2.gz MOBVNUGZQWEDRC-YOEHRIQHSA-N 2 2 336.451 3.149 10 0 EGAELP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264364 314235703 /nfs/dbraw/zinc/23/57/03/314235703.db2.gz UGYGASXSPZLCHH-UXHICEINSA-N 2 2 344.547 3.352 10 0 EGAELP CCC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000538264364 314235706 /nfs/dbraw/zinc/23/57/06/314235706.db2.gz UGYGASXSPZLCHH-UXHICEINSA-N 2 2 344.547 3.352 10 0 EGAELP Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000539415419 314312846 /nfs/dbraw/zinc/31/28/46/314312846.db2.gz HGCSGXHNAONONH-UHFFFAOYSA-N 2 2 327.428 3.206 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093644998 454727694 /nfs/dbraw/zinc/72/76/94/454727694.db2.gz WGHOHOYJHKVZME-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093644998 454727699 /nfs/dbraw/zinc/72/76/99/454727699.db2.gz WGHOHOYJHKVZME-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093644998 454727702 /nfs/dbraw/zinc/72/77/02/454727702.db2.gz WGHOHOYJHKVZME-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP c1ccc(OCCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000564350881 316142182 /nfs/dbraw/zinc/14/21/82/316142182.db2.gz UEDPZQMTIZLMIW-IBGZPJMESA-N 2 2 332.488 3.032 10 0 EGAELP c1ccc(OCCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000564350881 316142185 /nfs/dbraw/zinc/14/21/85/316142185.db2.gz UEDPZQMTIZLMIW-IBGZPJMESA-N 2 2 332.488 3.032 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959588 316236759 /nfs/dbraw/zinc/23/67/59/316236759.db2.gz CWGFRVZHJSEMAP-YQVWRLOYSA-N 2 2 343.515 3.076 10 0 EGAELP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959588 316236763 /nfs/dbraw/zinc/23/67/63/316236763.db2.gz CWGFRVZHJSEMAP-YQVWRLOYSA-N 2 2 343.515 3.076 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987022 316242091 /nfs/dbraw/zinc/24/20/91/316242091.db2.gz MFIGXZAJIXPDBX-AUUYWEPGSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987022 316242093 /nfs/dbraw/zinc/24/20/93/316242093.db2.gz MFIGXZAJIXPDBX-AUUYWEPGSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)n1C ZINC000565237159 316297379 /nfs/dbraw/zinc/29/73/79/316297379.db2.gz FSQCFAZGWGFVDS-RBUKOAKNSA-N 2 2 348.441 3.320 10 0 EGAELP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896726 316385494 /nfs/dbraw/zinc/38/54/94/316385494.db2.gz UDBIFJKGISVWJP-WBMJQRKESA-N 2 2 348.384 3.254 10 0 EGAELP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896725 316385910 /nfs/dbraw/zinc/38/59/10/316385910.db2.gz UDBIFJKGISVWJP-MLGOLLRUSA-N 2 2 348.384 3.254 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000571399487 317194128 /nfs/dbraw/zinc/19/41/28/317194128.db2.gz SQVLAJIVYNKLGO-FHLMBLHRSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000571399487 317194130 /nfs/dbraw/zinc/19/41/30/317194130.db2.gz SQVLAJIVYNKLGO-FHLMBLHRSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C\CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000571399487 317194132 /nfs/dbraw/zinc/19/41/32/317194132.db2.gz SQVLAJIVYNKLGO-FHLMBLHRSA-N 2 2 329.488 3.441 10 0 EGAELP COc1cncc(/C=C\CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000571399487 317194137 /nfs/dbraw/zinc/19/41/37/317194137.db2.gz SQVLAJIVYNKLGO-FHLMBLHRSA-N 2 2 329.488 3.441 10 0 EGAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCC(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000178964608 323363846 /nfs/dbraw/zinc/36/38/46/323363846.db2.gz WGAXZRWYXCXNFP-GOSISDBHSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657320 455219698 /nfs/dbraw/zinc/21/96/98/455219698.db2.gz GYBQCFZABNSLDZ-JXFKEZNVSA-N 2 2 346.434 3.328 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1Br ZINC000396730456 457483126 /nfs/dbraw/zinc/48/31/26/457483126.db2.gz WLVVUABBLCALRU-COPLHBTASA-N 2 2 327.266 3.249 10 0 EGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCCCCC1 ZINC000180664587 455221970 /nfs/dbraw/zinc/22/19/70/455221970.db2.gz CMRGVQXSQMXKOM-IAGOWNOFSA-N 2 2 340.471 3.314 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673092 455223570 /nfs/dbraw/zinc/22/35/70/455223570.db2.gz WBQLUXCMMJSFKD-SJORKVTESA-N 2 2 348.450 3.228 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676080 455224975 /nfs/dbraw/zinc/22/49/75/455224975.db2.gz AMZNNTDFWKFIGC-CYBMUJFWSA-N 2 2 335.367 3.366 10 0 EGAELP C[C@H]1C[NH+](CCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000527634303 459678376 /nfs/dbraw/zinc/67/83/76/459678376.db2.gz WVXDTYPVECBPNR-RYUDHWBXSA-N 2 2 347.322 3.100 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440425 460551596 /nfs/dbraw/zinc/55/15/96/460551596.db2.gz VOIHYSBMAQDRJQ-HOJAQTOUSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440425 460551603 /nfs/dbraw/zinc/55/16/03/460551603.db2.gz VOIHYSBMAQDRJQ-HOJAQTOUSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440425 460551607 /nfs/dbraw/zinc/55/16/07/460551607.db2.gz VOIHYSBMAQDRJQ-HOJAQTOUSA-N 3 2 329.532 3.359 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475656 460569910 /nfs/dbraw/zinc/56/99/10/460569910.db2.gz WZCLUAWSLOGNPO-CABCVRRESA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475656 460569915 /nfs/dbraw/zinc/56/99/15/460569915.db2.gz WZCLUAWSLOGNPO-CABCVRRESA-N 2 2 330.394 3.201 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884820 460588220 /nfs/dbraw/zinc/58/82/20/460588220.db2.gz OUYPLXCOVPDKHR-NHYWBVRUSA-N 2 2 342.270 3.006 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000631884820 460588226 /nfs/dbraw/zinc/58/82/26/460588226.db2.gz OUYPLXCOVPDKHR-NHYWBVRUSA-N 2 2 342.270 3.006 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886412 460589999 /nfs/dbraw/zinc/58/99/99/460589999.db2.gz JRCRXQUAISHNFU-DOMZBBRYSA-N 2 2 339.277 3.032 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886412 460590008 /nfs/dbraw/zinc/59/00/08/460590008.db2.gz JRCRXQUAISHNFU-DOMZBBRYSA-N 2 2 339.277 3.032 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245707514 455361616 /nfs/dbraw/zinc/36/16/16/455361616.db2.gz BZJVBPSSQFAOIJ-ZBFHGGJFSA-N 2 2 333.505 3.269 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245707514 455361619 /nfs/dbraw/zinc/36/16/19/455361619.db2.gz BZJVBPSSQFAOIJ-ZBFHGGJFSA-N 2 2 333.505 3.269 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860266 453932534 /nfs/dbraw/zinc/93/25/34/453932534.db2.gz JWRWLMWVVWUTSE-SCTDSRPQSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860266 453932538 /nfs/dbraw/zinc/93/25/38/453932538.db2.gz JWRWLMWVVWUTSE-SCTDSRPQSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860266 453932540 /nfs/dbraw/zinc/93/25/40/453932540.db2.gz JWRWLMWVVWUTSE-SCTDSRPQSA-N 2 2 331.504 3.059 10 0 EGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860266 453932543 /nfs/dbraw/zinc/93/25/43/453932543.db2.gz JWRWLMWVVWUTSE-SCTDSRPQSA-N 2 2 331.504 3.059 10 0 EGAELP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1 ZINC000042228143 454001857 /nfs/dbraw/zinc/00/18/57/454001857.db2.gz FGZPGFXCJLNDJD-UHFFFAOYSA-N 2 2 337.423 3.238 10 0 EGAELP Fc1ccc(-n2ncc3cc(N4CC[NH2+]CC4)c4c[nH+]ccc4c32)cc1 ZINC000043204155 454048243 /nfs/dbraw/zinc/04/82/43/454048243.db2.gz PUAIFJNHFQLMNO-UHFFFAOYSA-N 2 2 347.397 3.122 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949467 455405535 /nfs/dbraw/zinc/40/55/35/455405535.db2.gz WFTZXKLGKHTELS-CHWSQXEVSA-N 2 2 341.293 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949467 455405538 /nfs/dbraw/zinc/40/55/38/455405538.db2.gz WFTZXKLGKHTELS-CHWSQXEVSA-N 2 2 341.293 3.450 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000057826901 454149182 /nfs/dbraw/zinc/14/91/82/454149182.db2.gz LTZJTKFNHQFXRL-GOEBONIOSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000057826901 454149186 /nfs/dbraw/zinc/14/91/86/454149186.db2.gz LTZJTKFNHQFXRL-GOEBONIOSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000246097866 455425723 /nfs/dbraw/zinc/42/57/23/455425723.db2.gz HIXPOZKZSLSOEQ-SJORKVTESA-N 2 2 338.455 3.151 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C2)[nH+]1 ZINC000246097866 455425727 /nfs/dbraw/zinc/42/57/27/455425727.db2.gz HIXPOZKZSLSOEQ-SJORKVTESA-N 2 2 338.455 3.151 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071912027 454254670 /nfs/dbraw/zinc/25/46/70/454254670.db2.gz WCCYKKQJSGFNHF-AWEZNQCLSA-N 2 2 340.870 3.412 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071912027 454254675 /nfs/dbraw/zinc/25/46/75/454254675.db2.gz WCCYKKQJSGFNHF-AWEZNQCLSA-N 2 2 340.870 3.412 10 0 EGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000096004931 454260212 /nfs/dbraw/zinc/26/02/12/454260212.db2.gz XTUJYEFVFLSMLD-ZCNNSNEGSA-N 2 2 344.474 3.337 10 0 EGAELP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1C1CC1 ZINC000266721652 455442685 /nfs/dbraw/zinc/44/26/85/455442685.db2.gz HRJMGBZXYNQWLE-UHFFFAOYSA-N 2 2 326.444 3.225 10 0 EGAELP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000097022794 454388794 /nfs/dbraw/zinc/38/87/94/454388794.db2.gz GSPVQKGGWVOZNC-BEFAXECRSA-N 2 2 343.446 3.291 10 0 EGAELP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091671511 454455045 /nfs/dbraw/zinc/45/50/45/454455045.db2.gz RMNLPYBOHXCFRI-UHFFFAOYSA-N 2 2 330.451 3.154 10 0 EGAELP C[N@H+](C[C@@H](NC(=O)C1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421575 454481226 /nfs/dbraw/zinc/48/12/26/454481226.db2.gz SIULFNAIKUFUFN-HXUWFJFHSA-N 2 2 343.515 3.060 10 0 EGAELP C[N@@H+](C[C@@H](NC(=O)C1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421575 454481229 /nfs/dbraw/zinc/48/12/29/454481229.db2.gz SIULFNAIKUFUFN-HXUWFJFHSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091961109 454495721 /nfs/dbraw/zinc/49/57/21/454495721.db2.gz DVPIHYIFHUKIFZ-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091961109 454495727 /nfs/dbraw/zinc/49/57/27/454495727.db2.gz DVPIHYIFHUKIFZ-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182198180 455458399 /nfs/dbraw/zinc/45/83/99/455458399.db2.gz JYRQIIHSKIWEMF-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182198180 455458402 /nfs/dbraw/zinc/45/84/02/455458402.db2.gz JYRQIIHSKIWEMF-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182198180 455458407 /nfs/dbraw/zinc/45/84/07/455458407.db2.gz JYRQIIHSKIWEMF-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182198180 455458410 /nfs/dbraw/zinc/45/84/10/455458410.db2.gz JYRQIIHSKIWEMF-DOMZBBRYSA-N 2 2 341.293 3.372 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623615431 460641806 /nfs/dbraw/zinc/64/18/06/460641806.db2.gz CSUQWGYYDQISJW-RHSMWYFYSA-N 2 2 347.340 3.359 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123110303 454603103 /nfs/dbraw/zinc/60/31/03/454603103.db2.gz ZVQTVNDQJSPJJC-QGZVFWFLSA-N 2 2 327.428 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123110303 454603106 /nfs/dbraw/zinc/60/31/06/454603106.db2.gz ZVQTVNDQJSPJJC-QGZVFWFLSA-N 2 2 327.428 3.208 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193902 454690413 /nfs/dbraw/zinc/69/04/13/454690413.db2.gz OOOGJLHJVNJCNF-BXUZGUMPSA-N 2 2 347.532 3.052 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193902 454690417 /nfs/dbraw/zinc/69/04/17/454690417.db2.gz OOOGJLHJVNJCNF-BXUZGUMPSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193902 454690419 /nfs/dbraw/zinc/69/04/19/454690419.db2.gz OOOGJLHJVNJCNF-BXUZGUMPSA-N 2 2 347.532 3.052 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)[C@H](C)C1 ZINC000093193902 454690420 /nfs/dbraw/zinc/69/04/20/454690420.db2.gz OOOGJLHJVNJCNF-BXUZGUMPSA-N 2 2 347.532 3.052 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1OC ZINC000093644998 454727690 /nfs/dbraw/zinc/72/76/90/454727690.db2.gz WGHOHOYJHKVZME-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000136218856 454730352 /nfs/dbraw/zinc/73/03/52/454730352.db2.gz XKQPQJREGYXSPP-UHFFFAOYSA-N 2 2 327.266 3.033 10 0 EGAELP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107961 454824232 /nfs/dbraw/zinc/82/42/32/454824232.db2.gz ADZQFMNDNRLJEW-APWZRJJASA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177107961 454824238 /nfs/dbraw/zinc/82/42/38/454824238.db2.gz ADZQFMNDNRLJEW-APWZRJJASA-N 2 2 334.423 3.229 10 0 EGAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151808879 455033593 /nfs/dbraw/zinc/03/35/93/455033593.db2.gz TZHDMTULDUAIBU-YJBOKZPZSA-N 2 2 344.524 3.380 10 0 EGAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151808879 455033598 /nfs/dbraw/zinc/03/35/98/455033598.db2.gz TZHDMTULDUAIBU-YJBOKZPZSA-N 2 2 344.524 3.380 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000116384781 455053736 /nfs/dbraw/zinc/05/37/36/455053736.db2.gz FRHDWVFBRHTIBZ-UWJYYQICSA-N 2 2 349.478 3.358 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000116384781 455053739 /nfs/dbraw/zinc/05/37/39/455053739.db2.gz FRHDWVFBRHTIBZ-UWJYYQICSA-N 2 2 349.478 3.358 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000180126996 455136546 /nfs/dbraw/zinc/13/65/46/455136546.db2.gz SJKVIKLKMBRHNG-INIZCTEOSA-N 2 2 339.418 3.385 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000180572400 455199869 /nfs/dbraw/zinc/19/98/69/455199869.db2.gz VUYMYSDLXRBDHK-KGLIPLIRSA-N 2 2 331.489 3.208 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438596 455299517 /nfs/dbraw/zinc/29/95/17/455299517.db2.gz SFFZKKSIBTYVKJ-SWLSCSKDSA-N 2 2 347.488 3.014 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438596 455299520 /nfs/dbraw/zinc/29/95/20/455299520.db2.gz SFFZKKSIBTYVKJ-SWLSCSKDSA-N 2 2 347.488 3.014 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438596 455299525 /nfs/dbraw/zinc/29/95/25/455299525.db2.gz SFFZKKSIBTYVKJ-SWLSCSKDSA-N 2 2 347.488 3.014 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000245438596 455299527 /nfs/dbraw/zinc/29/95/27/455299527.db2.gz SFFZKKSIBTYVKJ-SWLSCSKDSA-N 2 2 347.488 3.014 10 0 EGAELP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936576 455342796 /nfs/dbraw/zinc/34/27/96/455342796.db2.gz MBKOLGFLCVXWDW-OXQOHEQNSA-N 2 2 348.450 3.352 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000158990871 455343434 /nfs/dbraw/zinc/34/34/34/455343434.db2.gz LYJBGKOAYYADSN-UWJYYQICSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000158990871 455343436 /nfs/dbraw/zinc/34/34/36/455343436.db2.gz LYJBGKOAYYADSN-UWJYYQICSA-N 2 2 339.483 3.133 10 0 EGAELP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000174202941 455370424 /nfs/dbraw/zinc/37/04/24/455370424.db2.gz CPBCXJVWLCMIKE-UHFFFAOYSA-N 2 2 344.503 3.067 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949471 455405236 /nfs/dbraw/zinc/40/52/36/455405236.db2.gz WFTZXKLGKHTELS-OLZOCXBDSA-N 2 2 341.293 3.450 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949471 455405243 /nfs/dbraw/zinc/40/52/43/455405243.db2.gz WFTZXKLGKHTELS-OLZOCXBDSA-N 2 2 341.293 3.450 10 0 EGAELP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247016124 455544939 /nfs/dbraw/zinc/54/49/39/455544939.db2.gz KPLLMADLAHSFFU-CRAIPNDOSA-N 2 2 344.528 3.143 10 0 EGAELP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247016124 455544944 /nfs/dbraw/zinc/54/49/44/455544944.db2.gz KPLLMADLAHSFFU-CRAIPNDOSA-N 2 2 344.528 3.143 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1Cl ZINC000623683636 460677717 /nfs/dbraw/zinc/67/77/17/460677717.db2.gz CXRBTERPHKAEQA-QGZVFWFLSA-N 2 2 348.878 3.044 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000247100955 455559735 /nfs/dbraw/zinc/55/97/35/455559735.db2.gz PZYNBKSOJPWIML-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000247100955 455559739 /nfs/dbraw/zinc/55/97/39/455559739.db2.gz PZYNBKSOJPWIML-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000247113680 455560682 /nfs/dbraw/zinc/56/06/82/455560682.db2.gz QSOBNYMEHQYODC-KSSFIOAISA-N 3 2 330.451 3.140 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000247113680 455560687 /nfs/dbraw/zinc/56/06/87/455560687.db2.gz QSOBNYMEHQYODC-KSSFIOAISA-N 3 2 330.451 3.140 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000192440958 455617365 /nfs/dbraw/zinc/61/73/65/455617365.db2.gz RMVLBXOOEHNVGV-SOAGJPPSSA-N 2 2 344.499 3.363 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000192440958 455617369 /nfs/dbraw/zinc/61/73/69/455617369.db2.gz RMVLBXOOEHNVGV-SOAGJPPSSA-N 2 2 344.499 3.363 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899672 455723710 /nfs/dbraw/zinc/72/37/10/455723710.db2.gz MAQDKNMEUDAVSJ-UZLBHIALSA-N 2 2 349.478 3.131 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268899672 455723714 /nfs/dbraw/zinc/72/37/14/455723714.db2.gz MAQDKNMEUDAVSJ-UZLBHIALSA-N 2 2 349.478 3.131 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000249891835 455780980 /nfs/dbraw/zinc/78/09/80/455780980.db2.gz QQQCGYFAKUZWCL-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000249891835 455780982 /nfs/dbraw/zinc/78/09/82/455780982.db2.gz QQQCGYFAKUZWCL-WMLDXEAASA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000249916024 455782901 /nfs/dbraw/zinc/78/29/01/455782901.db2.gz XIZXJXZMZYMTHI-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000249916024 455782904 /nfs/dbraw/zinc/78/29/04/455782904.db2.gz XIZXJXZMZYMTHI-RHSMWYFYSA-N 2 2 331.847 3.202 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250153374 455785864 /nfs/dbraw/zinc/78/58/64/455785864.db2.gz BKYVEAREQZXXTO-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250153374 455785867 /nfs/dbraw/zinc/78/58/67/455785867.db2.gz BKYVEAREQZXXTO-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP CC[C@H]1C[NH2+]CCN1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000201170315 456016124 /nfs/dbraw/zinc/01/61/24/456016124.db2.gz JBVCFSXDFMZLOZ-INIZCTEOSA-N 2 2 339.886 3.127 10 0 EGAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262632319 456049049 /nfs/dbraw/zinc/04/90/49/456049049.db2.gz HHBZJKTYVUVZGU-SUMWQHHRSA-N 2 2 326.444 3.198 10 0 EGAELP Cc1nc(N2CC[NH+](CCCCCOc3ccccc3)CC2)cc[nH+]1 ZINC000188451904 456065751 /nfs/dbraw/zinc/06/57/51/456065751.db2.gz IJJOAPXKLCLVLY-UHFFFAOYSA-N 2 2 340.471 3.156 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226508678 456110217 /nfs/dbraw/zinc/11/02/17/456110217.db2.gz GKIJSUFVRLSTAS-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226508678 456110225 /nfs/dbraw/zinc/11/02/25/456110225.db2.gz GKIJSUFVRLSTAS-ZDUSSCGKSA-N 2 2 334.261 3.181 10 0 EGAELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Br)c1 ZINC000289998533 456211057 /nfs/dbraw/zinc/21/10/57/456211057.db2.gz LAHBUMXAYAIIQK-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Br)c1 ZINC000289998533 456211063 /nfs/dbraw/zinc/21/10/63/456211063.db2.gz LAHBUMXAYAIIQK-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000289998533 456211065 /nfs/dbraw/zinc/21/10/65/456211065.db2.gz LAHBUMXAYAIIQK-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000289998533 456211069 /nfs/dbraw/zinc/21/10/69/456211069.db2.gz LAHBUMXAYAIIQK-GXTWGEPZSA-N 2 2 341.293 3.372 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1ccccc1 ZINC000290205478 456266250 /nfs/dbraw/zinc/26/62/50/456266250.db2.gz GZLCKWZSLLIXEQ-BBRMVZONSA-N 2 2 330.394 3.115 10 0 EGAELP CC(C)n1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281878910 456347396 /nfs/dbraw/zinc/34/73/96/456347396.db2.gz AFOCRRKNPGDAHR-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281878910 456347406 /nfs/dbraw/zinc/34/74/06/456347406.db2.gz AFOCRRKNPGDAHR-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481976 456356001 /nfs/dbraw/zinc/35/60/01/456356001.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 3 2 330.520 3.273 10 0 EGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481976 456356012 /nfs/dbraw/zinc/35/60/12/456356012.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481976 456356020 /nfs/dbraw/zinc/35/60/20/456356020.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 3 2 330.520 3.273 10 0 EGAELP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337481976 456356029 /nfs/dbraw/zinc/35/60/29/456356029.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 3 2 330.520 3.273 10 0 EGAELP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000340290194 456366313 /nfs/dbraw/zinc/36/63/13/456366313.db2.gz XDBLYSXMDZHDRH-ROUUACIJSA-N 2 2 325.447 3.032 10 0 EGAELP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000340290194 456366317 /nfs/dbraw/zinc/36/63/17/456366317.db2.gz XDBLYSXMDZHDRH-ROUUACIJSA-N 2 2 325.447 3.032 10 0 EGAELP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040585 456397547 /nfs/dbraw/zinc/39/75/47/456397547.db2.gz LLOJTLGKJFJRQZ-AZUAARDMSA-N 2 2 339.483 3.002 10 0 EGAELP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282040585 456397554 /nfs/dbraw/zinc/39/75/54/456397554.db2.gz LLOJTLGKJFJRQZ-AZUAARDMSA-N 2 2 339.483 3.002 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131560 456421186 /nfs/dbraw/zinc/42/11/86/456421186.db2.gz RKIMYKDXNQDEQZ-HNAYVOBHSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131560 456421193 /nfs/dbraw/zinc/42/11/93/456421193.db2.gz RKIMYKDXNQDEQZ-HNAYVOBHSA-N 2 2 343.446 3.272 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000276268313 456429648 /nfs/dbraw/zinc/42/96/48/456429648.db2.gz RVGRRQSJIZOFJW-KGLIPLIRSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000276268313 456429650 /nfs/dbraw/zinc/42/96/50/456429650.db2.gz RVGRRQSJIZOFJW-KGLIPLIRSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1cc(Br)c2c(c1)C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000298510189 456477385 /nfs/dbraw/zinc/47/73/85/456477385.db2.gz QVZMWTCKMBYRGI-UHFFFAOYSA-N 2 2 334.261 3.092 10 0 EGAELP Cc1cc(Br)c2c(c1)C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000298510189 456477392 /nfs/dbraw/zinc/47/73/92/456477392.db2.gz QVZMWTCKMBYRGI-UHFFFAOYSA-N 2 2 334.261 3.092 10 0 EGAELP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000340472278 456478820 /nfs/dbraw/zinc/47/88/20/456478820.db2.gz IACWVWSAPSAMCR-KRWDZBQOSA-N 2 2 339.483 3.448 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777250 462263018 /nfs/dbraw/zinc/26/30/18/462263018.db2.gz OCUPSPKPSAEXKW-RDJZCZTQSA-N 2 2 338.442 3.037 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777250 462263021 /nfs/dbraw/zinc/26/30/21/462263021.db2.gz OCUPSPKPSAEXKW-RDJZCZTQSA-N 2 2 338.442 3.037 10 0 EGAELP c1cc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)o2)n[nH]1 ZINC000348184854 456522881 /nfs/dbraw/zinc/52/28/81/456522881.db2.gz IWMMGKBOPITWTK-UHFFFAOYSA-N 2 2 333.395 3.204 10 0 EGAELP COCC[C@@H](c1ccccc1)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340599849 456560819 /nfs/dbraw/zinc/56/08/19/456560819.db2.gz IMXQYZRRGCIRGM-IBGZPJMESA-N 2 2 325.456 3.290 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000348270831 456586211 /nfs/dbraw/zinc/58/62/11/456586211.db2.gz ZAZMHOIBDBPBJN-KDOFPFPSSA-N 2 2 328.460 3.087 10 0 EGAELP CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000348270831 456586216 /nfs/dbraw/zinc/58/62/16/456586216.db2.gz ZAZMHOIBDBPBJN-KDOFPFPSSA-N 2 2 328.460 3.087 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275369 456589896 /nfs/dbraw/zinc/58/98/96/456589896.db2.gz LIVCLORMMSVFHJ-RDJZCZTQSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275369 456589900 /nfs/dbraw/zinc/58/99/00/456589900.db2.gz LIVCLORMMSVFHJ-RDJZCZTQSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275369 456589906 /nfs/dbraw/zinc/58/99/06/456589906.db2.gz LIVCLORMMSVFHJ-RDJZCZTQSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275369 456589911 /nfs/dbraw/zinc/58/99/11/456589911.db2.gz LIVCLORMMSVFHJ-RDJZCZTQSA-N 2 2 340.471 3.461 10 0 EGAELP CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337994718 456643666 /nfs/dbraw/zinc/64/36/66/456643666.db2.gz DDUNPJHMZBPGAC-OAHLLOKOSA-N 2 2 327.428 3.334 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645949 456670176 /nfs/dbraw/zinc/67/01/76/456670176.db2.gz VZRDAQYDGSWVPR-ZBFHGGJFSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645949 456670180 /nfs/dbraw/zinc/67/01/80/456670180.db2.gz VZRDAQYDGSWVPR-ZBFHGGJFSA-N 2 2 346.862 3.354 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000343566893 456711664 /nfs/dbraw/zinc/71/16/64/456711664.db2.gz LFTLYPNGWZWEPZ-NVXWUHKLSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000343566893 456711666 /nfs/dbraw/zinc/71/16/66/456711666.db2.gz LFTLYPNGWZWEPZ-NVXWUHKLSA-N 2 2 341.455 3.312 10 0 EGAELP Nc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)CC2)c[nH+]1 ZINC000328654660 456729240 /nfs/dbraw/zinc/72/92/40/456729240.db2.gz XPAFTWJAPURBJG-AWEZNQCLSA-N 2 2 343.500 3.295 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072468 456846907 /nfs/dbraw/zinc/84/69/07/456846907.db2.gz DSURQKCHDCKZRL-HFSMHLIXSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292072468 456846912 /nfs/dbraw/zinc/84/69/12/456846912.db2.gz DSURQKCHDCKZRL-HFSMHLIXSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072468 456846916 /nfs/dbraw/zinc/84/69/16/456846916.db2.gz DSURQKCHDCKZRL-HFSMHLIXSA-N 2 2 343.515 3.060 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292072468 456846923 /nfs/dbraw/zinc/84/69/23/456846923.db2.gz DSURQKCHDCKZRL-HFSMHLIXSA-N 2 2 343.515 3.060 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844760 456933121 /nfs/dbraw/zinc/93/31/21/456933121.db2.gz VSVWYBSRDLVHRV-VQTJNVASSA-N 2 2 332.463 3.462 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353844760 456933122 /nfs/dbraw/zinc/93/31/22/456933122.db2.gz VSVWYBSRDLVHRV-VQTJNVASSA-N 2 2 332.463 3.462 10 0 EGAELP CC[C@H]1C[C@@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000356912290 457216101 /nfs/dbraw/zinc/21/61/01/457216101.db2.gz FQAOPIHYCXLFSB-ROUUACIJSA-N 2 2 346.519 3.236 10 0 EGAELP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccc(Cl)cc1 ZINC000363451330 457333408 /nfs/dbraw/zinc/33/34/08/457333408.db2.gz YDFPJZGIPCQNQV-QGZVFWFLSA-N 2 2 344.846 3.048 10 0 EGAELP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000369749878 457381574 /nfs/dbraw/zinc/38/15/74/457381574.db2.gz KFKKQQFEYTVVTM-QGZVFWFLSA-N 2 2 338.386 3.192 10 0 EGAELP CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000360916848 457430983 /nfs/dbraw/zinc/43/09/83/457430983.db2.gz BFBHOCOWHQBDIW-JXFKEZNVSA-N 2 2 348.450 3.400 10 0 EGAELP CC(C)n1c[nH+]cc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425339446 457504697 /nfs/dbraw/zinc/50/46/97/457504697.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1c[nH+]cc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425339446 457504704 /nfs/dbraw/zinc/50/47/04/457504704.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425339446 457504711 /nfs/dbraw/zinc/50/47/11/457504711.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425339446 457504717 /nfs/dbraw/zinc/50/47/17/457504717.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425339446 457504722 /nfs/dbraw/zinc/50/47/22/457504722.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425339446 457504728 /nfs/dbraw/zinc/50/47/28/457504728.db2.gz SDKLUDKCWHLZFL-LJQANCHMSA-N 2 2 326.488 3.418 10 0 EGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Cl ZINC000374198267 457519794 /nfs/dbraw/zinc/51/97/94/457519794.db2.gz MTELPAXTEBPSLN-CYBMUJFWSA-N 2 2 346.862 3.120 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425541193 457590639 /nfs/dbraw/zinc/59/06/39/457590639.db2.gz FZWUABMQRYZHFC-MRXNPFEDSA-N 2 2 338.459 3.123 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425541193 457590644 /nfs/dbraw/zinc/59/06/44/457590644.db2.gz FZWUABMQRYZHFC-MRXNPFEDSA-N 2 2 338.459 3.123 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@@H](C)[C@@H]3C)c2cc1C ZINC000409467362 457600449 /nfs/dbraw/zinc/60/04/49/457600449.db2.gz JQDGRBVBNPBSML-NKGKWGDASA-N 2 2 329.488 3.380 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@@H](C)[C@@H]3C)c2cc1C ZINC000409467362 457600451 /nfs/dbraw/zinc/60/04/51/457600451.db2.gz JQDGRBVBNPBSML-NKGKWGDASA-N 2 2 329.488 3.380 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357692888 457659168 /nfs/dbraw/zinc/65/91/68/457659168.db2.gz MAGMWYNKTYCNDU-DLBZAZTESA-N 2 2 332.492 3.221 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357692888 457659174 /nfs/dbraw/zinc/65/91/74/457659174.db2.gz MAGMWYNKTYCNDU-DLBZAZTESA-N 2 2 332.492 3.221 10 0 EGAELP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1Cl ZINC000364691708 457674406 /nfs/dbraw/zinc/67/44/06/457674406.db2.gz WFDYJONHVSSCFV-UHFFFAOYSA-N 2 2 347.772 3.195 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000361389409 457714788 /nfs/dbraw/zinc/71/47/88/457714788.db2.gz IYKXXTNLTUFNAS-FQEVSTJZSA-N 2 2 327.472 3.362 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000361389409 457714791 /nfs/dbraw/zinc/71/47/91/457714791.db2.gz IYKXXTNLTUFNAS-FQEVSTJZSA-N 2 2 327.472 3.362 10 0 EGAELP COC(=O)[C@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000361395743 457717468 /nfs/dbraw/zinc/71/74/68/457717468.db2.gz PWUPYCAVCLGHHQ-RDJZCZTQSA-N 2 2 343.471 3.398 10 0 EGAELP COC(=O)[C@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000361395743 457717473 /nfs/dbraw/zinc/71/74/73/457717473.db2.gz PWUPYCAVCLGHHQ-RDJZCZTQSA-N 2 2 343.471 3.398 10 0 EGAELP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC(F)F ZINC000358119367 457797942 /nfs/dbraw/zinc/79/79/42/457797942.db2.gz ODUCDJKLSPKVPE-UHFFFAOYSA-N 2 2 326.387 3.038 10 0 EGAELP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC(F)F ZINC000358119367 457797951 /nfs/dbraw/zinc/79/79/51/457797951.db2.gz ODUCDJKLSPKVPE-UHFFFAOYSA-N 2 2 326.387 3.038 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753842 457834789 /nfs/dbraw/zinc/83/47/89/457834789.db2.gz LHIJXIWLMOXSOM-RDBSUJKOSA-N 2 2 333.867 3.054 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753842 457834795 /nfs/dbraw/zinc/83/47/95/457834795.db2.gz LHIJXIWLMOXSOM-RDBSUJKOSA-N 2 2 333.867 3.054 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549931 457849397 /nfs/dbraw/zinc/84/93/97/457849397.db2.gz DVSBGZFEZOFNDK-HRAATJIYSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549931 457849404 /nfs/dbraw/zinc/84/94/04/457849404.db2.gz DVSBGZFEZOFNDK-HRAATJIYSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366549931 457849410 /nfs/dbraw/zinc/84/94/10/457849410.db2.gz DVSBGZFEZOFNDK-HRAATJIYSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366549931 457849415 /nfs/dbraw/zinc/84/94/15/457849415.db2.gz DVSBGZFEZOFNDK-HRAATJIYSA-N 2 2 343.515 3.166 10 0 EGAELP Cc1ccc2c(C)cc(NCc3cccnc3-n3cc[nH+]c3)[nH+]c2c1 ZINC000371428670 457925729 /nfs/dbraw/zinc/92/57/29/457925729.db2.gz AXDGYHQZRAVYHF-UHFFFAOYSA-N 2 2 329.407 3.466 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343357 457947318 /nfs/dbraw/zinc/94/73/18/457947318.db2.gz GYGMNAAYEFJSFR-NSHGMRRFSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343357 457947322 /nfs/dbraw/zinc/94/73/22/457947322.db2.gz GYGMNAAYEFJSFR-NSHGMRRFSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343357 457947326 /nfs/dbraw/zinc/94/73/26/457947326.db2.gz GYGMNAAYEFJSFR-NSHGMRRFSA-N 2 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343357 457947330 /nfs/dbraw/zinc/94/73/30/457947330.db2.gz GYGMNAAYEFJSFR-NSHGMRRFSA-N 2 2 326.488 3.314 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000375801483 458071729 /nfs/dbraw/zinc/07/17/29/458071729.db2.gz KUWHZOWAJGDVCN-IBGZPJMESA-N 2 2 339.487 3.112 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398497 458152999 /nfs/dbraw/zinc/15/29/99/458152999.db2.gz RMADXKPISPANLY-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398497 458153004 /nfs/dbraw/zinc/15/30/04/458153004.db2.gz RMADXKPISPANLY-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398497 458153007 /nfs/dbraw/zinc/15/30/07/458153007.db2.gz RMADXKPISPANLY-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000362398497 458153011 /nfs/dbraw/zinc/15/30/11/458153011.db2.gz RMADXKPISPANLY-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447814921 458346532 /nfs/dbraw/zinc/34/65/32/458346532.db2.gz AZFVDSLEBODJMI-CQSZACIVSA-N 2 2 328.859 3.112 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447814921 458346540 /nfs/dbraw/zinc/34/65/40/458346540.db2.gz AZFVDSLEBODJMI-CQSZACIVSA-N 2 2 328.859 3.112 10 0 EGAELP c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)n(-c2ccccc2)n1 ZINC000447936966 458368087 /nfs/dbraw/zinc/36/80/87/458368087.db2.gz UCAFPINTOLKPQA-UHFFFAOYSA-N 2 2 346.478 3.410 10 0 EGAELP c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)n(-c2ccccc2)n1 ZINC000447936966 458368090 /nfs/dbraw/zinc/36/80/90/458368090.db2.gz UCAFPINTOLKPQA-UHFFFAOYSA-N 2 2 346.478 3.410 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423465735 458436434 /nfs/dbraw/zinc/43/64/34/458436434.db2.gz NBFFEHYLVDFHKK-JRPNMDOOSA-N 2 2 329.282 3.480 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000423571554 458458358 /nfs/dbraw/zinc/45/83/58/458458358.db2.gz XSFOXMWHVVGOTE-RISCZKNCSA-N 2 2 344.240 3.084 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355064 458560452 /nfs/dbraw/zinc/56/04/52/458560452.db2.gz YFNWEUHCDHCJAV-AZUAARDMSA-N 2 2 344.499 3.089 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431355064 458560461 /nfs/dbraw/zinc/56/04/61/458560461.db2.gz YFNWEUHCDHCJAV-AZUAARDMSA-N 2 2 344.499 3.089 10 0 EGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431801670 458626349 /nfs/dbraw/zinc/62/63/49/458626349.db2.gz SMRWLPLFNDXDCW-AEFFLSMTSA-N 2 2 349.544 3.218 10 0 EGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431801670 458626357 /nfs/dbraw/zinc/62/63/57/458626357.db2.gz SMRWLPLFNDXDCW-AEFFLSMTSA-N 2 2 349.544 3.218 10 0 EGAELP Cc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000439115830 458656165 /nfs/dbraw/zinc/65/61/65/458656165.db2.gz FDEGSJFGWUASJD-UZLBHIALSA-N 2 2 347.466 3.372 10 0 EGAELP Fc1c(Br)ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1F ZINC000530205553 458715704 /nfs/dbraw/zinc/71/57/04/458715704.db2.gz IRJPZYIAUAWUJH-UHFFFAOYSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1c(Br)ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1F ZINC000530205553 458715711 /nfs/dbraw/zinc/71/57/11/458715711.db2.gz IRJPZYIAUAWUJH-UHFFFAOYSA-N 2 2 345.231 3.444 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213614 458717825 /nfs/dbraw/zinc/71/78/25/458717825.db2.gz AVVVMGXLKHLLHZ-UONOGXRCSA-N 2 2 339.252 3.450 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000494926068 458765831 /nfs/dbraw/zinc/76/58/31/458765831.db2.gz WCQIEVHBKZZSSF-SBHAEUEKSA-N 2 2 329.532 3.219 10 0 EGAELP c1cn2c(cccc2C[NH2+]CCN2CCC3(CCCCC3)CC2)[nH+]1 ZINC000441364692 458928831 /nfs/dbraw/zinc/92/88/31/458928831.db2.gz IEDPRZMYELLXDK-UHFFFAOYSA-N 2 2 326.488 3.470 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339180 458970310 /nfs/dbraw/zinc/97/03/10/458970310.db2.gz RHWNWSUREUYHKP-RHSMWYFYSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339180 458970320 /nfs/dbraw/zinc/97/03/20/458970320.db2.gz RHWNWSUREUYHKP-RHSMWYFYSA-N 2 2 344.421 3.337 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000531737824 458970560 /nfs/dbraw/zinc/97/05/60/458970560.db2.gz WWPKFTINEFNLQR-MJGOQNOKSA-N 2 2 343.515 3.342 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000531737824 458970563 /nfs/dbraw/zinc/97/05/63/458970563.db2.gz WWPKFTINEFNLQR-MJGOQNOKSA-N 2 2 343.515 3.342 10 0 EGAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C)o1 ZINC000594608477 459110838 /nfs/dbraw/zinc/11/08/38/459110838.db2.gz BNPQHPFWZNHXJV-UHFFFAOYSA-N 2 2 334.460 3.119 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000567735330 459156944 /nfs/dbraw/zinc/15/69/44/459156944.db2.gz FSBPPEZOLWIRKE-LJQANCHMSA-N 2 2 341.430 3.021 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000567735330 459156946 /nfs/dbraw/zinc/15/69/46/459156946.db2.gz FSBPPEZOLWIRKE-LJQANCHMSA-N 2 2 341.430 3.021 10 0 EGAELP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950296 459166060 /nfs/dbraw/zinc/16/60/60/459166060.db2.gz HDDHFXKIPIMQNS-MOPGFXCFSA-N 2 2 349.563 3.412 10 0 EGAELP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950296 459166063 /nfs/dbraw/zinc/16/60/63/459166063.db2.gz HDDHFXKIPIMQNS-MOPGFXCFSA-N 2 2 349.563 3.412 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)C2 ZINC000582341266 459348802 /nfs/dbraw/zinc/34/88/02/459348802.db2.gz MMURYQWPDKDLGR-HNNXBMFYSA-N 2 2 338.480 3.299 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)CC2 ZINC000582341266 459348805 /nfs/dbraw/zinc/34/88/05/459348805.db2.gz MMURYQWPDKDLGR-HNNXBMFYSA-N 2 2 338.480 3.299 10 0 EGAELP CC[NH+](CC)Cc1ccc(CNc2cc(CC(=O)OC)cc[nH+]2)cc1 ZINC000596063514 459506368 /nfs/dbraw/zinc/50/63/68/459506368.db2.gz NAEMRSVAZNQAHI-UHFFFAOYSA-N 2 2 341.455 3.251 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000596171257 459547211 /nfs/dbraw/zinc/54/72/11/459547211.db2.gz BOWSJJREPXHMCJ-UHFFFAOYSA-N 2 2 345.487 3.252 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995870 459689453 /nfs/dbraw/zinc/68/94/53/459689453.db2.gz GWLIHAFOVKRNLY-HZPDHXFCSA-N 2 2 341.377 3.144 10 0 EGAELP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000527675502 459695318 /nfs/dbraw/zinc/69/53/18/459695318.db2.gz NDACPHRUPBFQBZ-JVPBZIDWSA-N 2 2 328.504 3.459 10 0 EGAELP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000527675495 459695608 /nfs/dbraw/zinc/69/56/08/459695608.db2.gz NDACPHRUPBFQBZ-CCKFTAQKSA-N 2 2 328.504 3.459 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000573724165 459724821 /nfs/dbraw/zinc/72/48/21/459724821.db2.gz UJCRDGFLQFAELW-HXUWFJFHSA-N 2 2 340.471 3.436 10 0 EGAELP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000573724165 459724826 /nfs/dbraw/zinc/72/48/26/459724826.db2.gz UJCRDGFLQFAELW-HXUWFJFHSA-N 2 2 340.471 3.436 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006949 459794453 /nfs/dbraw/zinc/79/44/53/459794453.db2.gz ALINZTRHEOHUEV-OXQOHEQNSA-N 2 2 341.499 3.481 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006949 459794457 /nfs/dbraw/zinc/79/44/57/459794457.db2.gz ALINZTRHEOHUEV-OXQOHEQNSA-N 2 2 341.499 3.481 10 0 EGAELP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779647 459801150 /nfs/dbraw/zinc/80/11/50/459801150.db2.gz HOKPWGSUKBAWSW-KOSHJBKYSA-N 2 2 346.540 3.074 10 0 EGAELP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779647 459801156 /nfs/dbraw/zinc/80/11/56/459801156.db2.gz HOKPWGSUKBAWSW-KOSHJBKYSA-N 2 2 346.540 3.074 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000545240843 459814369 /nfs/dbraw/zinc/81/43/69/459814369.db2.gz VNZARDNBIDXJLY-RBSFLKMASA-N 2 2 326.444 3.382 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCN3CCCCC3)CC23CC3)cc1 ZINC000574518260 459828489 /nfs/dbraw/zinc/82/84/89/459828489.db2.gz YZUWFLGQGOKWKG-HXUWFJFHSA-N 2 2 327.516 3.259 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCN3CCCCC3)CC23CC3)cc1 ZINC000574518260 459828493 /nfs/dbraw/zinc/82/84/93/459828493.db2.gz YZUWFLGQGOKWKG-HXUWFJFHSA-N 2 2 327.516 3.259 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1cccc3[nH+]ccn31)CCC2 ZINC000597202268 459874964 /nfs/dbraw/zinc/87/49/64/459874964.db2.gz WJDKVUDJBDCQDV-KRWDZBQOSA-N 2 2 349.434 3.331 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253337 460092749 /nfs/dbraw/zinc/09/27/49/460092749.db2.gz GHYPQLNWNHBQAC-ACJLOTCBSA-N 2 2 331.435 3.152 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253337 460092754 /nfs/dbraw/zinc/09/27/54/460092754.db2.gz GHYPQLNWNHBQAC-ACJLOTCBSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253337 460092756 /nfs/dbraw/zinc/09/27/56/460092756.db2.gz GHYPQLNWNHBQAC-ACJLOTCBSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000625253337 460092759 /nfs/dbraw/zinc/09/27/59/460092759.db2.gz GHYPQLNWNHBQAC-ACJLOTCBSA-N 2 2 331.435 3.152 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000625268758 460099688 /nfs/dbraw/zinc/09/96/88/460099688.db2.gz QNOJYCKCCOEIKJ-KRWDZBQOSA-N 2 2 343.471 3.005 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000625268758 460099699 /nfs/dbraw/zinc/09/96/99/460099699.db2.gz QNOJYCKCCOEIKJ-KRWDZBQOSA-N 2 2 343.471 3.005 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682392 460192327 /nfs/dbraw/zinc/19/23/27/460192327.db2.gz LOHQRQLOIKHSSJ-AZUAARDMSA-N 3 2 326.488 3.164 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000576682392 460192329 /nfs/dbraw/zinc/19/23/29/460192329.db2.gz LOHQRQLOIKHSSJ-AZUAARDMSA-N 3 2 326.488 3.164 10 0 EGAELP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000611409882 460358420 /nfs/dbraw/zinc/35/84/20/460358420.db2.gz DMXCMZXGHJSVBE-INIZCTEOSA-N 2 2 348.487 3.154 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCOCc2ccccc2)CC1 ZINC000626088597 460366109 /nfs/dbraw/zinc/36/61/09/460366109.db2.gz FVTQVILVXCOGFW-UHFFFAOYSA-N 2 2 346.515 3.170 10 0 EGAELP CC(C)C[C@H]([NH3+])c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000634555785 460419166 /nfs/dbraw/zinc/41/91/66/460419166.db2.gz VDHPBLYORWKOAY-NWDGAFQWSA-N 2 2 328.338 3.182 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631657980 460492459 /nfs/dbraw/zinc/49/24/59/460492459.db2.gz BOACEVQOFIHRGP-INIZCTEOSA-N 2 2 330.394 3.201 10 0 EGAELP C[C@@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)Cn1cc[nH+]c1 ZINC000623381519 460518927 /nfs/dbraw/zinc/51/89/27/460518927.db2.gz XPMKMYUNWNUDMG-LBPRGKRZSA-N 2 2 345.340 3.389 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398321 460527135 /nfs/dbraw/zinc/52/71/35/460527135.db2.gz BWWFPHXQWALOTD-HZPDHXFCSA-N 2 2 343.475 3.291 10 0 EGAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2cccnc2)no1 ZINC000623398321 460527139 /nfs/dbraw/zinc/52/71/39/460527139.db2.gz BWWFPHXQWALOTD-HZPDHXFCSA-N 2 2 343.475 3.291 10 0 EGAELP C[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000628772732 460539493 /nfs/dbraw/zinc/53/94/93/460539493.db2.gz IJKLBHQDZFUXBW-PBHICJAKSA-N 2 2 344.434 3.019 10 0 EGAELP C[C@H]1CCC[N@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623860643 460748459 /nfs/dbraw/zinc/74/84/59/460748459.db2.gz AJICPYQJEHDMAE-INIZCTEOSA-N 2 2 337.471 3.141 10 0 EGAELP C[C@H]1CCC[N@@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623860643 460748466 /nfs/dbraw/zinc/74/84/66/460748466.db2.gz AJICPYQJEHDMAE-INIZCTEOSA-N 2 2 337.471 3.141 10 0 EGAELP c1c[nH+]c([C@@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)[nH]1 ZINC000623934105 460785092 /nfs/dbraw/zinc/78/50/92/460785092.db2.gz BKZYAPXHOSSPEL-QGZVFWFLSA-N 2 2 346.438 3.104 10 0 EGAELP CC[C@@H](C)[N@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623932011 460785384 /nfs/dbraw/zinc/78/53/84/460785384.db2.gz VDTOPAVFSFUMPP-OAHLLOKOSA-N 2 2 325.460 3.139 10 0 EGAELP CC[C@@H](C)[N@@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623932011 460785389 /nfs/dbraw/zinc/78/53/89/460785389.db2.gz VDTOPAVFSFUMPP-OAHLLOKOSA-N 2 2 325.460 3.139 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000629528157 460796014 /nfs/dbraw/zinc/79/60/14/460796014.db2.gz QURYYWBPDAPYTF-MELADBBJSA-N 2 2 327.241 3.306 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527167 460796501 /nfs/dbraw/zinc/79/65/01/460796501.db2.gz MICYMYCLORHBOM-ALGQRKQJSA-N 3 2 327.516 3.017 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527167 460796506 /nfs/dbraw/zinc/79/65/06/460796506.db2.gz MICYMYCLORHBOM-ALGQRKQJSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537521 460799641 /nfs/dbraw/zinc/79/96/41/460799641.db2.gz HYCYWGFQCCLWJF-OBJCFNGXSA-N 3 2 327.516 3.160 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537521 460799644 /nfs/dbraw/zinc/79/96/44/460799644.db2.gz HYCYWGFQCCLWJF-OBJCFNGXSA-N 3 2 327.516 3.160 10 0 EGAELP C[NH+](C)CCCC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624076049 460848321 /nfs/dbraw/zinc/84/83/21/460848321.db2.gz FIFSOWQIZGWLGV-UHFFFAOYSA-N 2 2 337.471 3.441 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@@H]1C(F)(F)F ZINC000629656403 460850951 /nfs/dbraw/zinc/85/09/51/460850951.db2.gz OGTVGKVRALZTBQ-HIFRSBDPSA-N 2 2 338.377 3.036 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@@H]1C(F)(F)F ZINC000629656403 460850954 /nfs/dbraw/zinc/85/09/54/460850954.db2.gz OGTVGKVRALZTBQ-HIFRSBDPSA-N 2 2 338.377 3.036 10 0 EGAELP COc1ccc(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000607739285 460894348 /nfs/dbraw/zinc/89/43/48/460894348.db2.gz ZEBPMAOWFPBKRZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000607739285 460894357 /nfs/dbraw/zinc/89/43/57/460894357.db2.gz ZEBPMAOWFPBKRZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000607739285 460894364 /nfs/dbraw/zinc/89/43/64/460894364.db2.gz ZEBPMAOWFPBKRZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000607739285 460894372 /nfs/dbraw/zinc/89/43/72/460894372.db2.gz ZEBPMAOWFPBKRZ-GOEBONIOSA-N 2 2 329.444 3.265 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188932 460901728 /nfs/dbraw/zinc/90/17/28/460901728.db2.gz MGTAKCOYQOELEV-APWZRJJASA-N 2 2 329.488 3.035 10 0 EGAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188932 460901732 /nfs/dbraw/zinc/90/17/32/460901732.db2.gz MGTAKCOYQOELEV-APWZRJJASA-N 2 2 329.488 3.035 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621374227 461012076 /nfs/dbraw/zinc/01/20/76/461012076.db2.gz WUANLFKYPIBPTF-SJLPKXTDSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621374227 461012083 /nfs/dbraw/zinc/01/20/83/461012083.db2.gz WUANLFKYPIBPTF-SJLPKXTDSA-N 2 2 329.488 3.465 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC1CC1 ZINC000628147586 461018062 /nfs/dbraw/zinc/01/80/62/461018062.db2.gz SJJSITQLBYVNSZ-HNNXBMFYSA-N 2 2 327.428 3.339 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC1CC1 ZINC000628147586 461018069 /nfs/dbraw/zinc/01/80/69/461018069.db2.gz SJJSITQLBYVNSZ-HNNXBMFYSA-N 2 2 327.428 3.339 10 0 EGAELP CCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)no1 ZINC000652337510 461137749 /nfs/dbraw/zinc/13/77/49/461137749.db2.gz QFIUONFTOVENCI-KRWDZBQOSA-N 2 2 326.444 3.005 10 0 EGAELP CCc1nc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)no1 ZINC000652337510 461137758 /nfs/dbraw/zinc/13/77/58/461137758.db2.gz QFIUONFTOVENCI-KRWDZBQOSA-N 2 2 326.444 3.005 10 0 EGAELP [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000662305805 461180703 /nfs/dbraw/zinc/18/07/03/461180703.db2.gz VXBAJEBULSWVCC-INIZCTEOSA-N 2 2 326.831 3.268 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649587173 461197003 /nfs/dbraw/zinc/19/70/03/461197003.db2.gz CDIOMZJFFQSNCN-PXNSSMCTSA-N 2 2 349.519 3.095 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649587173 461197012 /nfs/dbraw/zinc/19/70/12/461197012.db2.gz CDIOMZJFFQSNCN-PXNSSMCTSA-N 2 2 349.519 3.095 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183058 461293748 /nfs/dbraw/zinc/29/37/48/461293748.db2.gz RWUSKPYFRXUUMO-YLJYHZDGSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183058 461293759 /nfs/dbraw/zinc/29/37/59/461293759.db2.gz RWUSKPYFRXUUMO-YLJYHZDGSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183058 461293765 /nfs/dbraw/zinc/29/37/65/461293765.db2.gz RWUSKPYFRXUUMO-YLJYHZDGSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183058 461293774 /nfs/dbraw/zinc/29/37/74/461293774.db2.gz RWUSKPYFRXUUMO-YLJYHZDGSA-N 2 2 328.504 3.132 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](CC(F)(F)F)O1 ZINC000668766880 461421918 /nfs/dbraw/zinc/42/19/18/461421918.db2.gz AXYPPRRZGNLIHU-DGCLKSJQSA-N 2 2 345.390 3.476 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](CC(F)(F)F)O1 ZINC000668766880 461421920 /nfs/dbraw/zinc/42/19/20/461421920.db2.gz AXYPPRRZGNLIHU-DGCLKSJQSA-N 2 2 345.390 3.476 10 0 EGAELP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655775922 461441336 /nfs/dbraw/zinc/44/13/36/461441336.db2.gz DCTLRVJXQLCCCI-UHFFFAOYSA-N 2 2 341.846 3.348 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105160 461446856 /nfs/dbraw/zinc/44/68/56/461446856.db2.gz MSOPDZCJBRJOLF-LBPRGKRZSA-N 2 2 327.407 3.392 10 0 EGAELP CC(C)[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105160 461446862 /nfs/dbraw/zinc/44/68/62/461446862.db2.gz MSOPDZCJBRJOLF-LBPRGKRZSA-N 2 2 327.407 3.392 10 0 EGAELP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000655805120 461464293 /nfs/dbraw/zinc/46/42/93/461464293.db2.gz CQIVVUUIUHODJA-RHNCMZPLSA-N 3 2 335.923 3.234 10 0 EGAELP FC(F)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000631036058 461489137 /nfs/dbraw/zinc/48/91/37/461489137.db2.gz UUVAWPZWZWNPDJ-UHFFFAOYSA-N 2 2 347.409 3.141 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H](NCC[N@H+]3CC=CCC3)CC23CC3)cc1 ZINC000647207920 461565770 /nfs/dbraw/zinc/56/57/70/461565770.db2.gz VJNSOARXXOJCHU-HXUWFJFHSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H](NCC[N@@H+]3CC=CCC3)CC23CC3)cc1 ZINC000647207920 461565776 /nfs/dbraw/zinc/56/57/76/461565776.db2.gz VJNSOARXXOJCHU-HXUWFJFHSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H](NCC[NH+]3CC=CCC3)CC23CC3)cc1 ZINC000647207920 461565787 /nfs/dbraw/zinc/56/57/87/461565787.db2.gz VJNSOARXXOJCHU-HXUWFJFHSA-N 2 2 325.500 3.035 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CC=CCC3)CC23CC3)cc1 ZINC000647207920 461565796 /nfs/dbraw/zinc/56/57/96/461565796.db2.gz VJNSOARXXOJCHU-HXUWFJFHSA-N 2 2 325.500 3.035 10 0 EGAELP COc1c(C)[nH+]cnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000656117856 461601554 /nfs/dbraw/zinc/60/15/54/461601554.db2.gz LAPABVALECKWMG-UHFFFAOYSA-N 2 2 340.471 3.142 10 0 EGAELP COc1c(C)[nH+]cnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000656117856 461601566 /nfs/dbraw/zinc/60/15/66/461601566.db2.gz LAPABVALECKWMG-UHFFFAOYSA-N 2 2 340.471 3.142 10 0 EGAELP COc1cc2cc[nH+]c(NCc3ccc(N(C)C)[nH+]c3)c2cc1OC ZINC000663386187 461607995 /nfs/dbraw/zinc/60/79/95/461607995.db2.gz XPUDYAHYXRSRNG-UHFFFAOYSA-N 2 2 338.411 3.325 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189758 461627032 /nfs/dbraw/zinc/62/70/32/461627032.db2.gz CEPJQASOPGIPIN-CABCVRRESA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189758 461627039 /nfs/dbraw/zinc/62/70/39/461627039.db2.gz CEPJQASOPGIPIN-CABCVRRESA-N 2 2 330.394 3.201 10 0 EGAELP C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000631236043 461664012 /nfs/dbraw/zinc/66/40/12/461664012.db2.gz VREADMZTWFYUHK-SFHVURJKSA-N 2 2 345.443 3.156 10 0 EGAELP C[NH2+]C[C@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000663507962 461678125 /nfs/dbraw/zinc/67/81/25/461678125.db2.gz DXEITMISDIDGIG-JTQLQIEISA-N 2 2 340.290 3.270 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663658556 461739722 /nfs/dbraw/zinc/73/97/22/461739722.db2.gz MWXMRUPGTZOVBD-GWCFXTLKSA-N 2 2 341.297 3.022 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663658556 461739728 /nfs/dbraw/zinc/73/97/28/461739728.db2.gz MWXMRUPGTZOVBD-GWCFXTLKSA-N 2 2 341.297 3.022 10 0 EGAELP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000643537844 461759603 /nfs/dbraw/zinc/75/96/03/461759603.db2.gz RXDBFPBVAGMJGO-SOUVJXGZSA-N 2 2 327.241 3.190 10 0 EGAELP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[NH2+]C[C@@H](C)C3)ccn2)cc1 ZINC000647550944 461763042 /nfs/dbraw/zinc/76/30/42/461763042.db2.gz PUVJEROJQVHVSG-DOTOQJQBSA-N 2 2 341.455 3.360 10 0 EGAELP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553629 461764174 /nfs/dbraw/zinc/76/41/74/461764174.db2.gz FNKGBURABZSUFC-WWGRRREGSA-N 2 2 326.843 3.241 10 0 EGAELP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553629 461764180 /nfs/dbraw/zinc/76/41/80/461764180.db2.gz FNKGBURABZSUFC-WWGRRREGSA-N 2 2 326.843 3.241 10 0 EGAELP Clc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553834 461764490 /nfs/dbraw/zinc/76/44/90/461764490.db2.gz KOFURSDICPHUGI-KRWDZBQOSA-N 2 2 330.863 3.290 10 0 EGAELP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn3cccc(F)c3n2)cc1 ZINC000666785479 461801316 /nfs/dbraw/zinc/80/13/16/461801316.db2.gz ARBCSNRKWMGZAU-GOSISDBHSA-N 2 2 326.419 3.386 10 0 EGAELP Cc1nc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541312 461843784 /nfs/dbraw/zinc/84/37/84/461843784.db2.gz VRAKEJWPQXPPFE-FQEVSTJZSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541312 461843789 /nfs/dbraw/zinc/84/37/89/461843789.db2.gz VRAKEJWPQXPPFE-FQEVSTJZSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541312 461843794 /nfs/dbraw/zinc/84/37/94/461843794.db2.gz VRAKEJWPQXPPFE-FQEVSTJZSA-N 2 2 325.456 3.389 10 0 EGAELP Cc1nc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000660541312 461843801 /nfs/dbraw/zinc/84/38/01/461843801.db2.gz VRAKEJWPQXPPFE-FQEVSTJZSA-N 2 2 325.456 3.389 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702125 461849164 /nfs/dbraw/zinc/84/91/64/461849164.db2.gz LRVRTYYFJXDYAU-HZPDHXFCSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702125 461849169 /nfs/dbraw/zinc/84/91/69/461849169.db2.gz LRVRTYYFJXDYAU-HZPDHXFCSA-N 2 2 344.421 3.071 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901868 461877255 /nfs/dbraw/zinc/87/72/55/461877255.db2.gz WTOSOQHKERVIQA-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901868 461877260 /nfs/dbraw/zinc/87/72/60/461877260.db2.gz WTOSOQHKERVIQA-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000664079158 461935998 /nfs/dbraw/zinc/93/59/98/461935998.db2.gz BVATYMXQKCQKGE-HNNXBMFYSA-N 2 2 343.393 3.100 10 0 EGAELP Cc1cc(F)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000648072166 461969801 /nfs/dbraw/zinc/96/98/01/461969801.db2.gz PKBKZIVBSSICNJ-UHFFFAOYSA-N 2 2 326.843 3.084 10 0 EGAELP Cc1cc(F)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000648072166 461969809 /nfs/dbraw/zinc/96/98/09/461969809.db2.gz PKBKZIVBSSICNJ-UHFFFAOYSA-N 2 2 326.843 3.084 10 0 EGAELP CCn1nccc1CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857488 461997894 /nfs/dbraw/zinc/99/78/94/461997894.db2.gz PTLWZXHLJFTCBN-UHFFFAOYSA-N 2 2 337.471 3.277 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCO2 ZINC000657327055 462047753 /nfs/dbraw/zinc/04/77/53/462047753.db2.gz YEZFYHJBMFELDB-CQSZACIVSA-N 2 2 348.244 3.205 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1C1CCC1 ZINC000657336195 462054748 /nfs/dbraw/zinc/05/47/48/462054748.db2.gz YBANMWVUJSSWPP-GOSISDBHSA-N 2 2 339.487 3.005 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nnn1C1CCC1 ZINC000657336195 462054756 /nfs/dbraw/zinc/05/47/56/462054756.db2.gz YBANMWVUJSSWPP-GOSISDBHSA-N 2 2 339.487 3.005 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657338060 462055700 /nfs/dbraw/zinc/05/57/00/462055700.db2.gz HSDYKLYREBYGSM-OAHLLOKOSA-N 2 2 345.516 3.066 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657338060 462055706 /nfs/dbraw/zinc/05/57/06/462055706.db2.gz HSDYKLYREBYGSM-OAHLLOKOSA-N 2 2 345.516 3.066 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432470 462117922 /nfs/dbraw/zinc/11/79/22/462117922.db2.gz MNPDYNHSCROFKK-HZMBPMFUSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432470 462117925 /nfs/dbraw/zinc/11/79/25/462117925.db2.gz MNPDYNHSCROFKK-HZMBPMFUSA-N 2 2 327.241 3.259 10 0 EGAELP CC(=O)c1ccccc1OCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982470 462203165 /nfs/dbraw/zinc/20/31/65/462203165.db2.gz BNOVLCNOWWHYSV-UHFFFAOYSA-N 2 2 330.472 3.218 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657829001 462287164 /nfs/dbraw/zinc/28/71/64/462287164.db2.gz XGCWZZDRELNTFP-GOSISDBHSA-N 2 2 333.545 3.074 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657903168 462313626 /nfs/dbraw/zinc/31/36/26/462313626.db2.gz DQJOLNFUWOPIKC-UIFIKXQLSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657903168 462313630 /nfs/dbraw/zinc/31/36/30/462313630.db2.gz DQJOLNFUWOPIKC-UIFIKXQLSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000657979127 462335907 /nfs/dbraw/zinc/33/59/07/462335907.db2.gz PMGXSGKGNYDNLX-VDGAXYAQSA-N 2 2 334.504 3.099 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000658012646 462345972 /nfs/dbraw/zinc/34/59/72/462345972.db2.gz HLNSPOQSPBCYIH-JRGCBEDISA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000658012646 462345976 /nfs/dbraw/zinc/34/59/76/462345976.db2.gz HLNSPOQSPBCYIH-JRGCBEDISA-N 2 2 346.515 3.071 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000665254864 462370126 /nfs/dbraw/zinc/37/01/26/462370126.db2.gz ARULXSZSSMXRMC-XPGWFJOJSA-N 2 2 328.456 3.345 10 0 EGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000665252564 462370868 /nfs/dbraw/zinc/37/08/68/462370868.db2.gz SRSHLGISNAPJMY-NSISKUIASA-N 2 2 347.466 3.064 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2nccn2C)CC1 ZINC000651961933 462393916 /nfs/dbraw/zinc/39/39/16/462393916.db2.gz NVZMCJAEVNBADT-IBGZPJMESA-N 2 2 326.488 3.168 10 0 EGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203385 462470374 /nfs/dbraw/zinc/47/03/74/462470374.db2.gz JZUXIZCBUQJCCY-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652203385 462470380 /nfs/dbraw/zinc/47/03/80/462470380.db2.gz JZUXIZCBUQJCCY-VQTJNVASSA-N 2 2 331.504 3.139 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175079788 534641798 /nfs/dbraw/zinc/64/17/98/534641798.db2.gz TZRUPDBBLFSEFH-UHFFFAOYSA-N 2 2 346.519 3.266 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000364073080 535382789 /nfs/dbraw/zinc/38/27/89/535382789.db2.gz QGCNLXAKZHYBGP-CYBMUJFWSA-N 2 2 346.519 3.063 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000364073080 535382790 /nfs/dbraw/zinc/38/27/90/535382790.db2.gz QGCNLXAKZHYBGP-CYBMUJFWSA-N 2 2 346.519 3.063 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000123231906 546738428 /nfs/dbraw/zinc/73/84/28/546738428.db2.gz AKHGYTOCQNNSEY-HOTGVXAUSA-N 2 2 339.483 3.108 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000123231906 546738435 /nfs/dbraw/zinc/73/84/35/546738435.db2.gz AKHGYTOCQNNSEY-HOTGVXAUSA-N 2 2 339.483 3.108 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196153 546840416 /nfs/dbraw/zinc/84/04/16/546840416.db2.gz YBWZMBPCVOBMKN-PBHICJAKSA-N 2 2 334.826 3.052 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196153 546840418 /nfs/dbraw/zinc/84/04/18/546840418.db2.gz YBWZMBPCVOBMKN-PBHICJAKSA-N 2 2 334.826 3.052 10 0 EGAELP C[NH+](C)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181547456 547069852 /nfs/dbraw/zinc/06/98/52/547069852.db2.gz LWJIZOQDAMPVAI-UHFFFAOYSA-N 2 2 325.294 3.408 10 0 EGAELP CCCC[C@H](CC)CC[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361026091 547761013 /nfs/dbraw/zinc/76/10/13/547761013.db2.gz HMEJRVXPEKBZGQ-DLBZAZTESA-N 2 2 334.508 3.107 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714639 548602292 /nfs/dbraw/zinc/60/22/92/548602292.db2.gz FEVBQJWZHFDJOI-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714639 548602297 /nfs/dbraw/zinc/60/22/97/548602297.db2.gz FEVBQJWZHFDJOI-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714639 548602303 /nfs/dbraw/zinc/60/23/03/548602303.db2.gz FEVBQJWZHFDJOI-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3C)no2)[C@H](C)C1 ZINC000673714639 548602309 /nfs/dbraw/zinc/60/23/09/548602309.db2.gz FEVBQJWZHFDJOI-NVXWUHKLSA-N 2 2 328.460 3.207 10 0 EGAELP C[C@H](c1ccco1)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000676704755 549131567 /nfs/dbraw/zinc/13/15/67/549131567.db2.gz JKYFBQIEYVVTKY-APWZRJJASA-N 2 2 328.456 3.298 10 0 EGAELP C[C@H](c1ccco1)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000676704755 549131573 /nfs/dbraw/zinc/13/15/73/549131573.db2.gz JKYFBQIEYVVTKY-APWZRJJASA-N 2 2 328.456 3.298 10 0 EGAELP C[C@H](c1ccco1)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000676704755 549131582 /nfs/dbraw/zinc/13/15/82/549131582.db2.gz JKYFBQIEYVVTKY-APWZRJJASA-N 2 2 328.456 3.298 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000678220567 549428838 /nfs/dbraw/zinc/42/88/38/549428838.db2.gz MLJHWXPUEPLBRJ-UHFFFAOYSA-N 2 2 337.427 3.188 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1 ZINC000679907990 549788822 /nfs/dbraw/zinc/78/88/22/549788822.db2.gz UVYXNCGQYDBDFL-UHFFFAOYSA-N 2 2 340.471 3.079 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1 ZINC000679907990 549788825 /nfs/dbraw/zinc/78/88/25/549788825.db2.gz UVYXNCGQYDBDFL-UHFFFAOYSA-N 2 2 340.471 3.079 10 0 EGAELP CCN(C)c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000682941611 550166870 /nfs/dbraw/zinc/16/68/70/550166870.db2.gz MTIAJVYSQIPMRG-IBGZPJMESA-N 2 2 349.482 3.345 10 0 EGAELP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686001 574766346 /nfs/dbraw/zinc/76/63/46/574766346.db2.gz KYOCREQBYITJCJ-LJQANCHMSA-N 2 2 337.552 3.271 10 0 EGAELP CCCCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686001 574766348 /nfs/dbraw/zinc/76/63/48/574766348.db2.gz KYOCREQBYITJCJ-LJQANCHMSA-N 2 2 337.552 3.271 10 0 EGAELP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Br)n2)CC1 ZINC000131101817 1293678722 /nfs/dbraw/zinc/67/87/22/1293678722.db2.gz QGCNJQNKTFAZLF-UHFFFAOYSA-N 2 2 326.282 3.197 10 0 EGAELP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872072558 1296718123 /nfs/dbraw/zinc/71/81/23/1296718123.db2.gz HHQRDODSYRZBOY-DLBZAZTESA-N 2 2 331.435 3.032 10 0 EGAELP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000872118066 1296744278 /nfs/dbraw/zinc/74/42/78/1296744278.db2.gz ZFKGIUHKJWCHNE-PKOBYXMFSA-N 2 2 331.504 3.229 10 0 EGAELP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000872118066 1296744289 /nfs/dbraw/zinc/74/42/89/1296744289.db2.gz ZFKGIUHKJWCHNE-PKOBYXMFSA-N 2 2 331.504 3.229 10 0 EGAELP Brc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c2ncccc12 ZINC000873230152 1297372991 /nfs/dbraw/zinc/37/29/91/1297372991.db2.gz NANJUHNUFUINFB-DOTOQJQBSA-N 2 2 346.272 3.372 10 0 EGAELP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000717501276 1298303319 /nfs/dbraw/zinc/30/33/19/1298303319.db2.gz FIEQLHRQUKBYQF-UHFFFAOYSA-N 3 2 349.522 3.429 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000717501276 1298303334 /nfs/dbraw/zinc/30/33/34/1298303334.db2.gz FIEQLHRQUKBYQF-UHFFFAOYSA-N 3 2 349.522 3.429 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000886263621 1303413111 /nfs/dbraw/zinc/41/31/11/1303413111.db2.gz BEKYPKWFZOYYHW-RHSMWYFYSA-N 2 2 346.475 3.145 10 0 EGAELP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000886263621 1303413116 /nfs/dbraw/zinc/41/31/16/1303413116.db2.gz BEKYPKWFZOYYHW-RHSMWYFYSA-N 2 2 346.475 3.145 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000894288472 1306323289 /nfs/dbraw/zinc/32/32/89/1306323289.db2.gz UWTNIKBBTUGXDV-WMLDXEAASA-N 2 2 330.501 3.206 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288472 1306323297 /nfs/dbraw/zinc/32/32/97/1306323297.db2.gz UWTNIKBBTUGXDV-WMLDXEAASA-N 2 2 330.501 3.206 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000894288475 1306323379 /nfs/dbraw/zinc/32/33/79/1306323379.db2.gz UWTNIKBBTUGXDV-YOEHRIQHSA-N 2 2 330.501 3.206 10 0 EGAELP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288475 1306323390 /nfs/dbraw/zinc/32/33/90/1306323390.db2.gz UWTNIKBBTUGXDV-YOEHRIQHSA-N 2 2 330.501 3.206 10 0 EGAELP c1[nH+]cn2ccnc(N3CCC(c4ccccc4)([NH+]4CCCC4)CC3)c12 ZINC000896838556 1310045582 /nfs/dbraw/zinc/04/55/82/1310045582.db2.gz MQHUHRVFSARJSV-UHFFFAOYSA-N 2 2 347.466 3.321 10 0 EGAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000930065031 1328776069 /nfs/dbraw/zinc/77/60/69/1328776069.db2.gz DTIRTUZDKGQZSI-UIFIKXQLSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000930065031 1328776073 /nfs/dbraw/zinc/77/60/73/1328776073.db2.gz DTIRTUZDKGQZSI-UIFIKXQLSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000930065031 1328776076 /nfs/dbraw/zinc/77/60/76/1328776076.db2.gz DTIRTUZDKGQZSI-UIFIKXQLSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000930065031 1328776078 /nfs/dbraw/zinc/77/60/78/1328776078.db2.gz DTIRTUZDKGQZSI-UIFIKXQLSA-N 2 2 344.547 3.017 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921670406 1322375448 /nfs/dbraw/zinc/37/54/48/1322375448.db2.gz FLYQDRFAWMFKGV-INIZCTEOSA-N 2 2 346.906 3.280 10 0 EGAELP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000921670406 1322375452 /nfs/dbraw/zinc/37/54/52/1322375452.db2.gz FLYQDRFAWMFKGV-INIZCTEOSA-N 2 2 346.906 3.280 10 0 EGAELP C[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)co2)(N2CCCCC2)CC1 ZINC000921790516 1322398916 /nfs/dbraw/zinc/39/89/16/1322398916.db2.gz BCWCALLZUURKHV-UHFFFAOYSA-N 2 2 348.535 3.012 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921921655 1322423648 /nfs/dbraw/zinc/42/36/48/1322423648.db2.gz IJTVYSXHNAMICP-WQZMEWCLSA-N 2 2 343.515 3.402 10 0 EGAELP COC(=O)[C@H](c1ccsc1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508373 1322765275 /nfs/dbraw/zinc/76/52/75/1322765275.db2.gz UXWMNGCSRXLELI-YOEHRIQHSA-N 2 2 336.501 3.064 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)n(C)n1 ZINC000924853115 1323187851 /nfs/dbraw/zinc/18/78/51/1323187851.db2.gz YCFCZQAGPIMPKT-WSTZPKSXSA-N 2 2 332.536 3.150 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CCOCC1)c1ccccc1 ZINC000925109311 1323285496 /nfs/dbraw/zinc/28/54/96/1323285496.db2.gz CRWDKBISKKOASO-RMJJICAUSA-N 2 2 346.515 3.147 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284397 1329085028 /nfs/dbraw/zinc/08/50/28/1329085028.db2.gz RHMQWXUNSXCNON-RTWAWAEBSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@H](C[NH+]3CCC([N@H+]4CCCOCC4)CC3)O2)cc1 ZINC000931284397 1329085033 /nfs/dbraw/zinc/08/50/33/1329085033.db2.gz RHMQWXUNSXCNON-RTWAWAEBSA-N 2 2 344.499 3.093 10 0 EGAELP C[NH+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3F)C[C@@]2(C)C1 ZINC000931318909 1329092925 /nfs/dbraw/zinc/09/29/25/1329092925.db2.gz VNKTZSAJEQAIGF-IAGOWNOFSA-N 2 2 326.456 3.331 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1c(Cl)cccc1Cl ZINC000925579665 1325220018 /nfs/dbraw/zinc/22/00/18/1325220018.db2.gz GPSRZBBEGHXSCJ-UONOGXRCSA-N 2 2 329.271 3.291 10 0 EGAELP O=C(c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1)N1CCCCC1 ZINC000925581389 1325220115 /nfs/dbraw/zinc/22/01/15/1325220115.db2.gz YQEPIQBADJIBOR-LJQANCHMSA-N 2 2 341.499 3.077 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925596549 1325226285 /nfs/dbraw/zinc/22/62/85/1325226285.db2.gz WWGDMURQJBBUCQ-UXPWSPDFSA-N 2 2 331.504 3.258 10 0 EGAELP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)CCC3)cc1 ZINC000925783065 1325300634 /nfs/dbraw/zinc/30/06/34/1325300634.db2.gz CEFWRRVFDRBNOH-ISTRZQFTSA-N 2 2 343.496 3.394 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000925807044 1325309987 /nfs/dbraw/zinc/30/99/87/1325309987.db2.gz HSKNYPPQSUUHAS-GOSISDBHSA-N 2 2 345.466 3.183 10 0 EGAELP Fc1ccc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2)nc1 ZINC000925839359 1325322903 /nfs/dbraw/zinc/32/29/03/1325322903.db2.gz BEJSMMRCDIVFLO-HSALFYBXSA-N 2 2 325.431 3.432 10 0 EGAELP Cc1nc2c(o1)CCC[C@H]2Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000925935448 1325363481 /nfs/dbraw/zinc/36/34/81/1325363481.db2.gz DOKNEGLRQOJQRB-HZPDHXFCSA-N 2 2 341.459 3.008 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCOC34CCCCC4)[nH+]c2)C1 ZINC000925937640 1325364308 /nfs/dbraw/zinc/36/43/08/1325364308.db2.gz SXFPXVUBCUSLPK-MSOLQXFVSA-N 2 2 344.503 3.126 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926224049 1325480404 /nfs/dbraw/zinc/48/04/04/1325480404.db2.gz LDSLCJGDZWAZKZ-ZWKOTPCHSA-N 2 2 349.519 3.160 10 0 EGAELP CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926224049 1325480410 /nfs/dbraw/zinc/48/04/10/1325480410.db2.gz LDSLCJGDZWAZKZ-ZWKOTPCHSA-N 2 2 349.519 3.160 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)OCC12CCC[NH+](CCC1)C2)c1ccccc1 ZINC000861360080 1329412661 /nfs/dbraw/zinc/41/26/61/1329412661.db2.gz HDIMAWADWWAUEF-SFHVURJKSA-N 2 2 330.472 3.099 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)OCC12CCC[NH+](CCC1)C2)c1ccccc1 ZINC000861360080 1329412663 /nfs/dbraw/zinc/41/26/63/1329412663.db2.gz HDIMAWADWWAUEF-SFHVURJKSA-N 2 2 330.472 3.099 10 0 EGAELP C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000863984660 1329592809 /nfs/dbraw/zinc/59/28/09/1329592809.db2.gz XULXRVJVRCNNHV-WBVHZDCISA-N 2 2 344.459 3.127 10 0 EGAELP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC(F)(F)F ZINC000865411855 1329693557 /nfs/dbraw/zinc/69/35/57/1329693557.db2.gz IGLRKMSILFWPRD-LLVKDONJSA-N 2 2 332.341 3.298 10 0 EGAELP Fc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC(F)(F)F ZINC000865411855 1329693558 /nfs/dbraw/zinc/69/35/58/1329693558.db2.gz IGLRKMSILFWPRD-LLVKDONJSA-N 2 2 332.341 3.298 10 0 EGAELP Fc1cc(OC(F)F)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000865418083 1329694659 /nfs/dbraw/zinc/69/46/59/1329694659.db2.gz DDWPBSLXPULZJZ-UHFFFAOYSA-N 2 2 328.378 3.391 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865729241 1329733389 /nfs/dbraw/zinc/73/33/89/1329733389.db2.gz FIEZWDKMYLUOBL-SJORKVTESA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865729241 1329733390 /nfs/dbraw/zinc/73/33/90/1329733390.db2.gz FIEZWDKMYLUOBL-SJORKVTESA-N 2 2 330.472 3.358 10 0 EGAELP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866231318 1330081339 /nfs/dbraw/zinc/08/13/39/1330081339.db2.gz WPNCHVUTXTVKJC-LBPRGKRZSA-N 2 2 325.840 3.100 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866231318 1330081341 /nfs/dbraw/zinc/08/13/41/1330081341.db2.gz WPNCHVUTXTVKJC-LBPRGKRZSA-N 2 2 325.840 3.100 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561705 1330126891 /nfs/dbraw/zinc/12/68/91/1330126891.db2.gz JXJJXQIOCNCLGB-UYAOXDASSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561705 1330126892 /nfs/dbraw/zinc/12/68/92/1330126892.db2.gz JXJJXQIOCNCLGB-UYAOXDASSA-N 2 2 338.536 3.205 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704550 1330142855 /nfs/dbraw/zinc/14/28/55/1330142855.db2.gz VVIOVPYXNWFEJS-SFHVURJKSA-N 2 2 337.895 3.284 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704550 1330142856 /nfs/dbraw/zinc/14/28/56/1330142856.db2.gz VVIOVPYXNWFEJS-SFHVURJKSA-N 2 2 337.895 3.284 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324103635 1387542872 /nfs/dbraw/zinc/54/28/72/1387542872.db2.gz PTKMIUZZUVMHCO-AEFFLSMTSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001324181963 1387551675 /nfs/dbraw/zinc/55/16/75/1387551675.db2.gz RVDWDEPYEAKVOA-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP FC1(F)Oc2cccc(CC[NH+]3CCC(n4cc[nH+]c4)CC3)c2O1 ZINC001191381762 1367487748 /nfs/dbraw/zinc/48/77/48/1367487748.db2.gz MAOFHAIFDNCGFQ-UHFFFAOYSA-N 2 2 335.354 3.084 10 0 EGAELP Cc1nnsc1[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001197912186 1368922325 /nfs/dbraw/zinc/92/23/25/1368922325.db2.gz XFGYIMIMWLGWOM-JQHSSLGASA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001197912186 1368922329 /nfs/dbraw/zinc/92/23/29/1368922329.db2.gz XFGYIMIMWLGWOM-JQHSSLGASA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001197912186 1368922331 /nfs/dbraw/zinc/92/23/31/1368922331.db2.gz XFGYIMIMWLGWOM-JQHSSLGASA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001197912186 1368922334 /nfs/dbraw/zinc/92/23/34/1368922334.db2.gz XFGYIMIMWLGWOM-JQHSSLGASA-N 2 2 342.512 3.361 10 0 EGAELP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC001199045734 1369174126 /nfs/dbraw/zinc/17/41/26/1369174126.db2.gz QWTPRFKMLXIJOC-UHFFFAOYSA-N 2 2 347.466 3.153 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)CC1 ZINC001119632070 1371379502 /nfs/dbraw/zinc/37/95/02/1371379502.db2.gz LEYUUZOIFUTDBP-ZIFCJYIRSA-N 2 2 329.488 3.056 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)[nH+]1 ZINC001326722055 1388289690 /nfs/dbraw/zinc/28/96/90/1388289690.db2.gz ZTMIQJYWECYTKG-HNNXBMFYSA-N 2 2 337.427 3.450 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)[nH+]1 ZINC001326722055 1388289695 /nfs/dbraw/zinc/28/96/95/1388289695.db2.gz ZTMIQJYWECYTKG-HNNXBMFYSA-N 2 2 337.427 3.450 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223574 1377235802 /nfs/dbraw/zinc/23/58/02/1377235802.db2.gz SMKHSODATQGXQW-MIOHMZDASA-N 2 2 346.862 3.290 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223574 1377235804 /nfs/dbraw/zinc/23/58/04/1377235804.db2.gz SMKHSODATQGXQW-MIOHMZDASA-N 2 2 346.862 3.290 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325943 1377274094 /nfs/dbraw/zinc/27/40/94/1377274094.db2.gz VFJAQYMCFKFNBQ-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325943 1377274096 /nfs/dbraw/zinc/27/40/96/1377274096.db2.gz VFJAQYMCFKFNBQ-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001266783154 1377380588 /nfs/dbraw/zinc/38/05/88/1377380588.db2.gz RUJOTEGNKMULAC-OAHLLOKOSA-N 2 2 339.430 3.104 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735923 1377519232 /nfs/dbraw/zinc/51/92/32/1377519232.db2.gz PAYVEJVMDRBSGJ-PKOBYXMFSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001268735923 1377519233 /nfs/dbraw/zinc/51/92/33/1377519233.db2.gz PAYVEJVMDRBSGJ-PKOBYXMFSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1)n1cc[nH+]c1 ZINC001270851310 1377615996 /nfs/dbraw/zinc/61/59/96/1377615996.db2.gz KPHIKMCDDYFWRW-SFHVURJKSA-N 2 2 346.519 3.051 10 0 EGAELP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327455693 1388524368 /nfs/dbraw/zinc/52/43/68/1388524368.db2.gz QZOMQBUPLNRWNT-SDKBWNRFSA-N 2 2 344.503 3.230 10 0 EGAELP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327455693 1388524373 /nfs/dbraw/zinc/52/43/73/1388524373.db2.gz QZOMQBUPLNRWNT-SDKBWNRFSA-N 2 2 344.503 3.230 10 0 EGAELP CCC(CC)C[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001283309891 1378796767 /nfs/dbraw/zinc/79/67/67/1378796767.db2.gz ASYQAMIHDLOQFK-UHFFFAOYSA-N 2 2 348.535 3.286 10 0 EGAELP CCC(CC)C[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001283309891 1378796770 /nfs/dbraw/zinc/79/67/70/1378796770.db2.gz ASYQAMIHDLOQFK-UHFFFAOYSA-N 2 2 348.535 3.286 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284597984 1379998883 /nfs/dbraw/zinc/99/88/83/1379998883.db2.gz KTXOKZKPWKRXIW-JFIYKMOQSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284597984 1379998887 /nfs/dbraw/zinc/99/88/87/1379998887.db2.gz KTXOKZKPWKRXIW-JFIYKMOQSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001284920414 1380311517 /nfs/dbraw/zinc/31/15/17/1380311517.db2.gz FXLQTAXOUFZIGX-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001284920414 1380311524 /nfs/dbraw/zinc/31/15/24/1380311524.db2.gz FXLQTAXOUFZIGX-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001284920414 1380311529 /nfs/dbraw/zinc/31/15/29/1380311529.db2.gz FXLQTAXOUFZIGX-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001284920414 1380311533 /nfs/dbraw/zinc/31/15/33/1380311533.db2.gz FXLQTAXOUFZIGX-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(NC1CC(C[NH2+]CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001328875781 1388893188 /nfs/dbraw/zinc/89/31/88/1388893188.db2.gz KUPHKJZPZAFEJT-UHFFFAOYSA-N 2 2 340.471 3.241 10 0 EGAELP CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308166262 1384104256 /nfs/dbraw/zinc/10/42/56/1384104256.db2.gz VEMGALYLPBAZJA-DLBZAZTESA-N 2 2 346.519 3.217 10 0 EGAELP CC(C)N1CCC[C@@H]([N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308166262 1384104258 /nfs/dbraw/zinc/10/42/58/1384104258.db2.gz VEMGALYLPBAZJA-DLBZAZTESA-N 2 2 346.519 3.217 10 0 EGAELP C[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCCC(C)(C)C ZINC001316826995 1384620860 /nfs/dbraw/zinc/62/08/60/1384620860.db2.gz WCONSFVYJNPLEM-UHFFFAOYSA-N 2 2 348.535 3.026 10 0 EGAELP C[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCCC(C)(C)C ZINC001316826995 1384620863 /nfs/dbraw/zinc/62/08/63/1384620863.db2.gz WCONSFVYJNPLEM-UHFFFAOYSA-N 2 2 348.535 3.026 10 0 EGAELP Cc1cccc(C[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001317612448 1385353325 /nfs/dbraw/zinc/35/33/25/1385353325.db2.gz XTLVGUBMXFNKMG-UHFFFAOYSA-N 2 2 325.456 3.177 10 0 EGAELP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001317677424 1385384851 /nfs/dbraw/zinc/38/48/51/1385384851.db2.gz ARRORVYABMTELM-HNNXBMFYSA-N 2 2 348.535 3.340 10 0 EGAELP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001319027157 1385932632 /nfs/dbraw/zinc/93/26/32/1385932632.db2.gz KEMAFSYFXWJEAV-CQSZACIVSA-N 2 2 346.450 3.143 10 0 EGAELP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319500639 1386149001 /nfs/dbraw/zinc/14/90/01/1386149001.db2.gz BJZBRVUCEYTNJW-KRWDZBQOSA-N 2 2 342.487 3.359 10 0 EGAELP C[C@@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001698650642 1406300658 /nfs/dbraw/zinc/30/06/58/1406300658.db2.gz DXXNVNISZGLWFH-FQEVSTJZSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320573494 1386655030 /nfs/dbraw/zinc/65/50/30/1386655030.db2.gz PCDXVMNGPYOKME-HOTGVXAUSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320573494 1386655037 /nfs/dbraw/zinc/65/50/37/1386655037.db2.gz PCDXVMNGPYOKME-HOTGVXAUSA-N 2 2 348.535 3.289 10 0 EGAELP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001322256697 1387123797 /nfs/dbraw/zinc/12/37/97/1387123797.db2.gz BBNBFSLKMQUTNM-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001322256697 1387123800 /nfs/dbraw/zinc/12/38/00/1387123800.db2.gz BBNBFSLKMQUTNM-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(F)c1 ZINC001322715930 1387229643 /nfs/dbraw/zinc/22/96/43/1387229643.db2.gz GMTIKGFIOFZKQA-JKSUJKDBSA-N 2 2 346.450 3.173 10 0 EGAELP CC1(C)C[N@H+](CCCCCF)C[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001330211932 1389343564 /nfs/dbraw/zinc/34/35/64/1389343564.db2.gz XSLISARISILMJI-KRWDZBQOSA-N 2 2 346.450 3.143 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001698725596 1406374930 /nfs/dbraw/zinc/37/49/30/1406374930.db2.gz JYJWJHDRADEJEJ-UHFFFAOYSA-N 2 2 346.519 3.141 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001330511538 1389436816 /nfs/dbraw/zinc/43/68/16/1389436816.db2.gz BPJKOQBLQMVCOB-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001330511538 1389436818 /nfs/dbraw/zinc/43/68/18/1389436818.db2.gz BPJKOQBLQMVCOB-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330511538 1389436821 /nfs/dbraw/zinc/43/68/21/1389436821.db2.gz BPJKOQBLQMVCOB-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330511538 1389436826 /nfs/dbraw/zinc/43/68/26/1389436826.db2.gz BPJKOQBLQMVCOB-KRWDZBQOSA-N 2 2 346.519 3.093 10 0 EGAELP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001330613207 1389470011 /nfs/dbraw/zinc/47/00/11/1389470011.db2.gz KUPHKJZPZAFEJT-JCNLHEQBSA-N 2 2 340.471 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001331629120 1389836129 /nfs/dbraw/zinc/83/61/29/1389836129.db2.gz POPCPHPTQPHDCE-OAHLLOKOSA-N 2 2 342.487 3.021 10 0 EGAELP CCCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001332949351 1390222535 /nfs/dbraw/zinc/22/25/35/1390222535.db2.gz CWJUWPOLPIXUAG-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1nnsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001333360483 1390289230 /nfs/dbraw/zinc/28/92/30/1390289230.db2.gz KQWILZXUTUXJOO-ZQIUZPCESA-N 2 2 330.501 3.408 10 0 EGAELP Cc1nnsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001333360483 1390289233 /nfs/dbraw/zinc/28/92/33/1390289233.db2.gz KQWILZXUTUXJOO-ZQIUZPCESA-N 2 2 330.501 3.408 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001334209119 1390499321 /nfs/dbraw/zinc/49/93/21/1390499321.db2.gz XHXZPOKQKHIABA-HOCLYGCPSA-N 2 2 344.377 3.343 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC001334388948 1390530321 /nfs/dbraw/zinc/53/03/21/1390530321.db2.gz FVYVEHLARHNRQJ-YLJYHZDGSA-N 2 2 329.488 3.056 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001479696242 1392326615 /nfs/dbraw/zinc/32/66/15/1392326615.db2.gz VIRFQRTYRPYART-IBGZPJMESA-N 2 2 348.535 3.460 10 0 EGAELP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480546501 1392788162 /nfs/dbraw/zinc/78/81/62/1392788162.db2.gz PJIWOJMJLUSASP-LSDHHAIUSA-N 2 2 348.878 3.091 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001480824116 1392962791 /nfs/dbraw/zinc/96/27/91/1392962791.db2.gz NSLFTXSVIADIAJ-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001480824116 1392962794 /nfs/dbraw/zinc/96/27/94/1392962794.db2.gz NSLFTXSVIADIAJ-QGZVFWFLSA-N 2 2 342.487 3.499 10 0 EGAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001698900251 1406633298 /nfs/dbraw/zinc/63/32/98/1406633298.db2.gz HVBRISWLXWTLQI-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481497931 1394342767 /nfs/dbraw/zinc/34/27/67/1394342767.db2.gz KXWBLQPHVQNCAG-SJLPKXTDSA-N 2 2 334.508 3.051 10 0 EGAELP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481497931 1394342773 /nfs/dbraw/zinc/34/27/73/1394342773.db2.gz KXWBLQPHVQNCAG-SJLPKXTDSA-N 2 2 334.508 3.051 10 0 EGAELP C[C@](C[NH2+]CC1CCCC1)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001481933937 1394602612 /nfs/dbraw/zinc/60/26/12/1394602612.db2.gz STXYSUGZZSYBGE-HXUWFJFHSA-N 2 2 340.471 3.241 10 0 EGAELP CCCCC[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001482007500 1394667677 /nfs/dbraw/zinc/66/76/77/1394667677.db2.gz LYANSUQMXJHSFV-UHFFFAOYSA-N 2 2 334.508 3.096 10 0 EGAELP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482018057 1394674805 /nfs/dbraw/zinc/67/48/05/1394674805.db2.gz KHEKMKBKFVADRG-KZNAEPCWSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001483916922 1395144146 /nfs/dbraw/zinc/14/41/46/1395144146.db2.gz FCGOZJKXQGZAMP-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP C[C@@H](CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170700 1395310816 /nfs/dbraw/zinc/31/08/16/1395310816.db2.gz WIKYRPXZASVBRD-PXNSSMCTSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001484170700 1395310825 /nfs/dbraw/zinc/31/08/25/1395310825.db2.gz WIKYRPXZASVBRD-PXNSSMCTSA-N 2 2 346.519 3.243 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)n1cc[nH+]c1 ZINC001484525235 1395416450 /nfs/dbraw/zinc/41/64/50/1395416450.db2.gz PXLGSWKRDHOYBO-OALUTQOASA-N 2 2 346.519 3.099 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001485441382 1395908339 /nfs/dbraw/zinc/90/83/39/1395908339.db2.gz LZRSSRABROVOGN-KRWDZBQOSA-N 2 2 348.535 3.160 10 0 EGAELP CC[C@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485723195 1396117731 /nfs/dbraw/zinc/11/77/31/1396117731.db2.gz YVODVLHXJHKUPS-GJZGRUSLSA-N 2 2 330.476 3.177 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001486236145 1396186273 /nfs/dbraw/zinc/18/62/73/1396186273.db2.gz MTQYBTQSQRRQGO-SFHVURJKSA-N 2 2 342.487 3.439 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001689057992 1396858420 /nfs/dbraw/zinc/85/84/20/1396858420.db2.gz BTFSLKHSJPVCDY-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001689300367 1397025581 /nfs/dbraw/zinc/02/55/81/1397025581.db2.gz NEVJXPGYLAYAPG-ZBFHGGJFSA-N 2 2 328.460 3.192 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001689300367 1397025587 /nfs/dbraw/zinc/02/55/87/1397025587.db2.gz NEVJXPGYLAYAPG-ZBFHGGJFSA-N 2 2 328.460 3.192 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001498494531 1397037380 /nfs/dbraw/zinc/03/73/80/1397037380.db2.gz AKEKTJMBNXNJRD-ROUUACIJSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@H](CC(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001689857419 1404171991 /nfs/dbraw/zinc/17/19/91/1404171991.db2.gz SIOMMYKUJGAITJ-HZPDHXFCSA-N 2 2 346.450 3.173 10 0 EGAELP C[C@H](CC(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001689857419 1404171996 /nfs/dbraw/zinc/17/19/96/1404171996.db2.gz SIOMMYKUJGAITJ-HZPDHXFCSA-N 2 2 346.450 3.173 10 0 EGAELP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001689932632 1404214420 /nfs/dbraw/zinc/21/44/20/1404214420.db2.gz JIEVZXPRHUDWJM-OAHLLOKOSA-N 2 2 330.476 3.131 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001689932632 1404214421 /nfs/dbraw/zinc/21/44/21/1404214421.db2.gz JIEVZXPRHUDWJM-OAHLLOKOSA-N 2 2 330.476 3.131 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1ccccc1Cl ZINC001689962121 1404229440 /nfs/dbraw/zinc/22/94/40/1404229440.db2.gz VYGCLRGTNBGJBL-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1ccccc1Cl ZINC001689962121 1404229444 /nfs/dbraw/zinc/22/94/44/1404229444.db2.gz VYGCLRGTNBGJBL-AWEZNQCLSA-N 2 2 348.878 3.195 10 0 EGAELP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690127925 1404321988 /nfs/dbraw/zinc/32/19/88/1404321988.db2.gz GZUMSGJYLXNJOG-AEFFLSMTSA-N 2 2 346.519 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788119 1404734537 /nfs/dbraw/zinc/73/45/37/1404734537.db2.gz OAUHYRUMSHJCHK-ZWKOTPCHSA-N 2 2 346.519 3.248 10 0 EGAELP CCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001691427691 1405261228 /nfs/dbraw/zinc/26/12/28/1405261228.db2.gz DDOGYJAJBGWQBI-NZSAHSFTSA-N 2 2 346.519 3.069 10 0 EGAELP CCCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001691427691 1405261232 /nfs/dbraw/zinc/26/12/32/1405261232.db2.gz DDOGYJAJBGWQBI-NZSAHSFTSA-N 2 2 346.519 3.069 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691450545 1405277302 /nfs/dbraw/zinc/27/73/02/1405277302.db2.gz XRTJNULEWXOMQO-FZNQNYSPSA-N 2 2 328.460 3.241 10 0 EGAELP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691625318 1405363242 /nfs/dbraw/zinc/36/32/42/1405363242.db2.gz GCKVLVKHKOAXHL-DLBZAZTESA-N 2 2 342.487 3.355 10 0 EGAELP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001691820170 1405536853 /nfs/dbraw/zinc/53/68/53/1405536853.db2.gz ZNGNSASJHSSYBL-FGTMMUONSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001691912877 1405638155 /nfs/dbraw/zinc/63/81/55/1405638155.db2.gz VYZBKHJMYHWXHD-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001691912877 1405638160 /nfs/dbraw/zinc/63/81/60/1405638160.db2.gz VYZBKHJMYHWXHD-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008285 1405726797 /nfs/dbraw/zinc/72/67/97/1405726797.db2.gz DIUXPUIEPYINIA-FUHWJXTLSA-N 2 2 348.535 3.385 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@H]3CCC[N@H+]3CC(C)C)ccn12 ZINC001731748737 1427842029 /nfs/dbraw/zinc/84/20/29/1427842029.db2.gz WNKCAQGQEOGUHR-SFHVURJKSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[C@H]3CCC[N@@H+]3CC(C)C)ccn12 ZINC001731748737 1427842034 /nfs/dbraw/zinc/84/20/34/1427842034.db2.gz WNKCAQGQEOGUHR-SFHVURJKSA-N 2 2 342.487 3.273 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692321534 1405940178 /nfs/dbraw/zinc/94/01/78/1405940178.db2.gz CKOQURWGISMNLH-SFHVURJKSA-N 2 2 334.508 3.139 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692321534 1405940180 /nfs/dbraw/zinc/94/01/80/1405940180.db2.gz CKOQURWGISMNLH-SFHVURJKSA-N 2 2 334.508 3.139 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069972 1428318562 /nfs/dbraw/zinc/31/85/62/1428318562.db2.gz CSYVPHYTAVJJCB-HNNXBMFYSA-N 2 2 342.487 3.393 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069972 1428318566 /nfs/dbraw/zinc/31/85/66/1428318566.db2.gz CSYVPHYTAVJJCB-HNNXBMFYSA-N 2 2 342.487 3.393 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1)n1cc[nH+]c1 ZINC001732397094 1428564095 /nfs/dbraw/zinc/56/40/95/1428564095.db2.gz PCMZSCIRLMAZNC-INIZCTEOSA-N 2 2 346.519 3.289 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+][C@@H]3CCc4ccccc43)ccn12 ZINC001699362482 1412668751 /nfs/dbraw/zinc/66/87/51/1412668751.db2.gz ABUQJTDDOPMBAT-AUUYWEPGSA-N 2 2 348.450 3.038 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699625628 1412991704 /nfs/dbraw/zinc/99/17/04/1412991704.db2.gz NVZGPTJICYJNSU-GNAXCBTBSA-N 2 2 338.455 3.033 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699625628 1412991707 /nfs/dbraw/zinc/99/17/07/1412991707.db2.gz NVZGPTJICYJNSU-GNAXCBTBSA-N 2 2 338.455 3.033 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C1C[NH+](CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001699715239 1413128095 /nfs/dbraw/zinc/12/80/95/1413128095.db2.gz YZNDBRXLQNLSGV-IBGZPJMESA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCC(C)(C)C ZINC001732558752 1428747590 /nfs/dbraw/zinc/74/75/90/1428747590.db2.gz RVWCOPTWIZYYAY-BZUAXINKSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCC(C)(C)C ZINC001732558752 1428747597 /nfs/dbraw/zinc/74/75/97/1428747597.db2.gz RVWCOPTWIZYYAY-BZUAXINKSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCC(C)(C)C ZINC001732558753 1428747640 /nfs/dbraw/zinc/74/76/40/1428747640.db2.gz RVWCOPTWIZYYAY-OAGGEKHMSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCC(C)(C)C ZINC001732558753 1428747642 /nfs/dbraw/zinc/74/76/42/1428747642.db2.gz RVWCOPTWIZYYAY-OAGGEKHMSA-N 2 2 334.508 3.070 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC001700483787 1414125411 /nfs/dbraw/zinc/12/54/11/1414125411.db2.gz IVAVRNWJUGPCHR-OAHLLOKOSA-N 2 2 342.487 3.021 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC001700483787 1414125414 /nfs/dbraw/zinc/12/54/14/1414125414.db2.gz IVAVRNWJUGPCHR-OAHLLOKOSA-N 2 2 342.487 3.021 10 0 EGAELP CCCC[C@H](C[NH2+]CC=C(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700517583 1414170855 /nfs/dbraw/zinc/17/08/55/1414170855.db2.gz MNHZOSNREGCSDA-GOSISDBHSA-N 2 2 342.487 3.487 10 0 EGAELP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700574947 1414247821 /nfs/dbraw/zinc/24/78/21/1414247821.db2.gz DXOCOFNGAPDGNW-DOTOQJQBSA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700574947 1414247826 /nfs/dbraw/zinc/24/78/26/1414247826.db2.gz DXOCOFNGAPDGNW-DOTOQJQBSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C)n1cc[nH+]c1 ZINC001700992941 1414638930 /nfs/dbraw/zinc/63/89/30/1414638930.db2.gz NUTJUSVJPSIGRU-FUHWJXTLSA-N 2 2 342.487 3.155 10 0 EGAELP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001701013721 1414675572 /nfs/dbraw/zinc/67/55/72/1414675572.db2.gz XKFTYVUJDFWCAL-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001701013721 1414675574 /nfs/dbraw/zinc/67/55/74/1414675574.db2.gz XKFTYVUJDFWCAL-CGTJXYLNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H](CC(=O)NC/C=C\C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001732906804 1429040773 /nfs/dbraw/zinc/04/07/73/1429040773.db2.gz KXFXWTPAXVEONL-JTGQJZMRSA-N 2 2 332.492 3.067 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001732977132 1429103726 /nfs/dbraw/zinc/10/37/26/1429103726.db2.gz QMALFMTYDGKKLM-MRXNPFEDSA-N 2 2 344.503 3.106 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713215618 1417790800 /nfs/dbraw/zinc/79/08/00/1417790800.db2.gz OYGLDUCUYIOWOB-WCPOWXKZSA-N 2 2 344.503 3.088 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713215618 1417790804 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ZINC001713752519 1418554521 /nfs/dbraw/zinc/55/45/21/1418554521.db2.gz QNPVWUIJYYDFIG-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713752519 1418554523 /nfs/dbraw/zinc/55/45/23/1418554523.db2.gz QNPVWUIJYYDFIG-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713752519 1418554526 /nfs/dbraw/zinc/55/45/26/1418554526.db2.gz QNPVWUIJYYDFIG-SFHVURJKSA-N 2 2 346.519 3.093 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001733176130 1429278166 /nfs/dbraw/zinc/27/81/66/1429278166.db2.gz HBPMZQUJHJHAJT-HNAYVOBHSA-N 2 2 340.471 3.016 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131106 1418934505 /nfs/dbraw/zinc/93/45/05/1418934505.db2.gz BYZUDUHPRJCDQS-MRXNPFEDSA-N 2 2 342.487 3.355 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001714144819 1418948461 /nfs/dbraw/zinc/94/84/61/1418948461.db2.gz BVHRMRCDXCJSGR-INIZCTEOSA-N 2 2 346.519 3.187 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001714144819 1418948463 /nfs/dbraw/zinc/94/84/63/1418948463.db2.gz BVHRMRCDXCJSGR-INIZCTEOSA-N 2 2 346.519 3.187 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714352291 1419119187 /nfs/dbraw/zinc/11/91/87/1419119187.db2.gz DIALLDKLOVSJNR-OAHLLOKOSA-N 2 2 342.487 3.441 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607375 1419366240 /nfs/dbraw/zinc/36/62/40/1419366240.db2.gz MEZJUUHLNWVSAM-XDXAGZTOSA-N 2 2 340.471 3.193 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607375 1419366244 /nfs/dbraw/zinc/36/62/44/1419366244.db2.gz MEZJUUHLNWVSAM-XDXAGZTOSA-N 2 2 340.471 3.193 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715149536 1419894378 /nfs/dbraw/zinc/89/43/78/1419894378.db2.gz UYMIDKYGFYWIDN-SJORKVTESA-N 2 2 342.487 3.212 10 0 EGAELP 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PYKAUUXKTFMQMF-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001716556321 1420759270 /nfs/dbraw/zinc/75/92/70/1420759270.db2.gz BMTUBBHIOGIEGC-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP C[C@H]([NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001716571144 1420764083 /nfs/dbraw/zinc/76/40/83/1420764083.db2.gz UVWNXTVQGWSVFR-IRXDYDNUSA-N 2 2 328.460 3.034 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001716571145 1420764141 /nfs/dbraw/zinc/76/41/41/1420764141.db2.gz UVWNXTVQGWSVFR-SJORKVTESA-N 2 2 328.460 3.034 10 0 EGAELP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001716706427 1420860804 /nfs/dbraw/zinc/86/08/04/1420860804.db2.gz PLLNKAUONWQSIX-MOPGFXCFSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001716706427 1420860806 /nfs/dbraw/zinc/86/08/06/1420860806.db2.gz PLLNKAUONWQSIX-MOPGFXCFSA-N 2 2 346.519 3.022 10 0 EGAELP 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219359968 /nfs/dbraw/zinc/35/99/68/219359968.db2.gz JIAFYDNPBMPFBA-IINYFYTJSA-N 2 2 347.322 3.257 10 0 EGAELP C[C@H]([NH3+])[C@H](c1cc(Br)cs1)[N@@H+](C)CC1CCOCC1 ZINC000104199656 219359970 /nfs/dbraw/zinc/35/99/70/219359970.db2.gz JIAFYDNPBMPFBA-IINYFYTJSA-N 2 2 347.322 3.257 10 0 EGAELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000180935472 234034831 /nfs/dbraw/zinc/03/48/31/234034831.db2.gz GDXJAWTUAYWNGE-CVEARBPZSA-N 2 2 327.428 3.266 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cs1 ZINC000193990566 240391167 /nfs/dbraw/zinc/39/11/67/240391167.db2.gz PXMLTQKIBRSCDM-WCQYABFASA-N 2 2 347.322 3.008 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812379 218169853 /nfs/dbraw/zinc/16/98/53/218169853.db2.gz VWZXFSFPLSRBOR-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812379 218169854 /nfs/dbraw/zinc/16/98/54/218169854.db2.gz VWZXFSFPLSRBOR-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 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141036920 /nfs/dbraw/zinc/03/69/20/141036920.db2.gz NZFSWATWEJBAIS-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246827920 141036921 /nfs/dbraw/zinc/03/69/21/141036921.db2.gz NZFSWATWEJBAIS-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246827920 141036922 /nfs/dbraw/zinc/03/69/22/141036922.db2.gz NZFSWATWEJBAIS-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246827920 141036923 /nfs/dbraw/zinc/03/69/23/141036923.db2.gz NZFSWATWEJBAIS-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000246868098 141040114 /nfs/dbraw/zinc/04/01/14/141040114.db2.gz SPPIPIUTQJGGHN-MAUKXSAKSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000246868098 141040118 /nfs/dbraw/zinc/04/01/18/141040118.db2.gz SPPIPIUTQJGGHN-MAUKXSAKSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1OC ZINC000246868098 141040121 /nfs/dbraw/zinc/04/01/21/141040121.db2.gz SPPIPIUTQJGGHN-MAUKXSAKSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1OC ZINC000246868098 141040124 /nfs/dbraw/zinc/04/01/24/141040124.db2.gz SPPIPIUTQJGGHN-MAUKXSAKSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000246868115 141040374 /nfs/dbraw/zinc/04/03/74/141040374.db2.gz SPPIPIUTQJGGHN-YJBOKZPZSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000246868115 141040375 /nfs/dbraw/zinc/04/03/75/141040375.db2.gz SPPIPIUTQJGGHN-YJBOKZPZSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1OC ZINC000246868115 141040376 /nfs/dbraw/zinc/04/03/76/141040376.db2.gz SPPIPIUTQJGGHN-YJBOKZPZSA-N 2 2 330.472 3.153 10 0 EGAELP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1OC ZINC000246868115 141040377 /nfs/dbraw/zinc/04/03/77/141040377.db2.gz SPPIPIUTQJGGHN-YJBOKZPZSA-N 2 2 330.472 3.153 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820675 141151181 /nfs/dbraw/zinc/15/11/81/141151181.db2.gz KEMDCULNVOSIHK-CRAIPNDOSA-N 2 2 348.853 3.360 10 0 EGAELP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000342820675 141151182 /nfs/dbraw/zinc/15/11/82/141151182.db2.gz KEMDCULNVOSIHK-CRAIPNDOSA-N 2 2 348.853 3.360 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1F ZINC000192685679 144177664 /nfs/dbraw/zinc/17/76/64/144177664.db2.gz YTRHUSUVBXNOQN-YJBOKZPZSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1F ZINC000192685679 144177665 /nfs/dbraw/zinc/17/76/65/144177665.db2.gz YTRHUSUVBXNOQN-YJBOKZPZSA-N 2 2 343.446 3.230 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872529 144234275 /nfs/dbraw/zinc/23/42/75/144234275.db2.gz UVAQSLSMBHJGQV-NUEKZKHPSA-N 2 2 330.394 3.206 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872529 144234277 /nfs/dbraw/zinc/23/42/77/144234277.db2.gz UVAQSLSMBHJGQV-NUEKZKHPSA-N 2 2 330.394 3.206 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872526 144234508 /nfs/dbraw/zinc/23/45/08/144234508.db2.gz UVAQSLSMBHJGQV-FVQBIDKESA-N 2 2 330.394 3.206 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872526 144234510 /nfs/dbraw/zinc/23/45/10/144234510.db2.gz UVAQSLSMBHJGQV-FVQBIDKESA-N 2 2 330.394 3.206 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757707 144362700 /nfs/dbraw/zinc/36/27/00/144362700.db2.gz MMMKLHDYUKTKNN-QUCCMNQESA-N 3 2 338.499 3.384 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757707 144362702 /nfs/dbraw/zinc/36/27/02/144362702.db2.gz MMMKLHDYUKTKNN-QUCCMNQESA-N 3 2 338.499 3.384 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119666016 152221619 /nfs/dbraw/zinc/22/16/19/152221619.db2.gz NVWLJGJPHAMIPL-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119666016 152221623 /nfs/dbraw/zinc/22/16/23/152221623.db2.gz NVWLJGJPHAMIPL-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119666016 152221629 /nfs/dbraw/zinc/22/16/29/152221629.db2.gz NVWLJGJPHAMIPL-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119666016 152221632 /nfs/dbraw/zinc/22/16/32/152221632.db2.gz NVWLJGJPHAMIPL-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP CCN(C)c1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000190753312 153158044 /nfs/dbraw/zinc/15/80/44/153158044.db2.gz QLCGSWWSUFKEIO-UHFFFAOYSA-N 2 2 335.455 3.072 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733513 153355538 /nfs/dbraw/zinc/35/55/38/153355538.db2.gz FOLUOOJISNKJSV-OAHLLOKOSA-N 2 2 349.906 3.475 10 0 EGAELP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337416348 154342299 /nfs/dbraw/zinc/34/22/99/154342299.db2.gz ZLYCKFWSLMDHSN-MRXNPFEDSA-N 2 2 340.471 3.393 10 0 EGAELP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337416348 154342302 /nfs/dbraw/zinc/34/23/02/154342302.db2.gz ZLYCKFWSLMDHSN-MRXNPFEDSA-N 2 2 340.471 3.393 10 0 EGAELP CC[N@H+](Cc1ncc(COC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963830 156303293 /nfs/dbraw/zinc/30/32/93/156303293.db2.gz JJFLPDCJWRYVRS-UHFFFAOYSA-N 2 2 333.501 3.373 10 0 EGAELP CC[N@@H+](Cc1ncc(COC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963830 156303296 /nfs/dbraw/zinc/30/32/96/156303296.db2.gz JJFLPDCJWRYVRS-UHFFFAOYSA-N 2 2 333.501 3.373 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000127273148 162326881 /nfs/dbraw/zinc/32/68/81/162326881.db2.gz TXZWVOKVGJDDKF-HNNXBMFYSA-N 2 2 339.439 3.126 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000248397613 163000487 /nfs/dbraw/zinc/00/04/87/163000487.db2.gz IERBOOIMOAPRGC-CXAGYDPISA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000248397613 163000488 /nfs/dbraw/zinc/00/04/88/163000488.db2.gz IERBOOIMOAPRGC-CXAGYDPISA-N 2 2 347.846 3.406 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C12CCOCC2 ZINC000248629367 163022499 /nfs/dbraw/zinc/02/24/99/163022499.db2.gz GJKUUULWXJOMRR-MDNKFWRPSA-N 2 2 346.515 3.242 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000343640175 164001238 /nfs/dbraw/zinc/00/12/38/164001238.db2.gz OPDXPNDHFRZXIL-UHFFFAOYSA-N 2 2 330.501 3.367 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335177 164370794 /nfs/dbraw/zinc/37/07/94/164370794.db2.gz YOBYNVDJZVNMRV-LPHOPBHVSA-N 2 2 340.471 3.431 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335177 164370795 /nfs/dbraw/zinc/37/07/95/164370795.db2.gz YOBYNVDJZVNMRV-LPHOPBHVSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335177 164370796 /nfs/dbraw/zinc/37/07/96/164370796.db2.gz YOBYNVDJZVNMRV-LPHOPBHVSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@@H](C)C1 ZINC000346335177 164370797 /nfs/dbraw/zinc/37/07/97/164370797.db2.gz YOBYNVDJZVNMRV-LPHOPBHVSA-N 2 2 340.471 3.431 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109756063 287137221 /nfs/dbraw/zinc/13/72/21/287137221.db2.gz CMRJRPRKFBFAFZ-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109756063 287137223 /nfs/dbraw/zinc/13/72/23/287137223.db2.gz CMRJRPRKFBFAFZ-RDJZCZTQSA-N 2 2 337.458 3.128 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000353425104 165766083 /nfs/dbraw/zinc/76/60/83/165766083.db2.gz IOAYQKQXLXRWLN-WOJBJXKFSA-N 2 2 341.503 3.120 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3cccc(OCC(C)C)c3)CC2)cc[nH+]1 ZINC000355360990 166174632 /nfs/dbraw/zinc/17/46/32/166174632.db2.gz DCUJOGLXNWAKMS-UHFFFAOYSA-N 2 2 340.471 3.142 10 0 EGAELP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccn(C)n1 ZINC000359024052 167040814 /nfs/dbraw/zinc/04/08/14/167040814.db2.gz BJBFOIFCWDRPOG-YMAMQOFZSA-N 2 2 344.425 3.266 10 0 EGAELP CCCN(CC[NH+](CC)CC)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000359255729 167107290 /nfs/dbraw/zinc/10/72/90/167107290.db2.gz RYXDWEIZQYZBTG-UHFFFAOYSA-N 2 2 327.476 3.405 10 0 EGAELP Clc1nccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1Cl ZINC000367954600 168288607 /nfs/dbraw/zinc/28/86/07/168288607.db2.gz CEEHNYAOYGETNR-UHFFFAOYSA-N 2 2 334.210 3.259 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195286571 266172243 /nfs/dbraw/zinc/17/22/43/266172243.db2.gz WGHDWBYFWCXOBR-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195286571 266172246 /nfs/dbraw/zinc/17/22/46/266172246.db2.gz WGHDWBYFWCXOBR-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000195286571 266172248 /nfs/dbraw/zinc/17/22/48/266172248.db2.gz WGHDWBYFWCXOBR-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000195286571 266172251 /nfs/dbraw/zinc/17/22/51/266172251.db2.gz WGHDWBYFWCXOBR-GOSISDBHSA-N 2 2 343.446 3.053 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)CC3 ZINC000275673568 267404942 /nfs/dbraw/zinc/40/49/42/267404942.db2.gz HJSMYXFDPOFQOK-AWEZNQCLSA-N 2 2 327.472 3.108 10 0 EGAELP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000246473604 274596861 /nfs/dbraw/zinc/59/68/61/274596861.db2.gz KQUCUBRFWIXSPG-SCLBCKFNSA-N 2 2 331.847 3.045 10 0 EGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408706 275374399 /nfs/dbraw/zinc/37/43/99/275374399.db2.gz GEJCMHZGFAQSPF-QMTHXVAHSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408706 275374400 /nfs/dbraw/zinc/37/44/00/275374400.db2.gz GEJCMHZGFAQSPF-QMTHXVAHSA-N 2 2 332.245 3.307 10 0 EGAELP COc1c(C)cnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000289372945 276329257 /nfs/dbraw/zinc/32/92/57/276329257.db2.gz KHIYBARUYFKRGL-UHFFFAOYSA-N 2 2 341.455 3.454 10 0 EGAELP COc1c(C)c[nH+]c(CN2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000289372945 276329258 /nfs/dbraw/zinc/32/92/58/276329258.db2.gz KHIYBARUYFKRGL-UHFFFAOYSA-N 2 2 341.455 3.454 10 0 EGAELP Cn1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000289434876 276338823 /nfs/dbraw/zinc/33/88/23/276338823.db2.gz LFCWPXYAZWIPBX-UHFFFAOYSA-N 2 2 340.393 3.003 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099224 279377135 /nfs/dbraw/zinc/37/71/35/279377135.db2.gz FAHPSMNSSDNZQB-RISCZKNCSA-N 2 2 334.261 3.250 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099224 279377137 /nfs/dbraw/zinc/37/71/37/279377137.db2.gz FAHPSMNSSDNZQB-RISCZKNCSA-N 2 2 334.261 3.250 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000414125897 309062287 /nfs/dbraw/zinc/06/22/87/309062287.db2.gz NKBSNJPCRJIJSL-LJQANCHMSA-N 2 2 325.456 3.345 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295255452 308307922 /nfs/dbraw/zinc/30/79/22/308307922.db2.gz UQYILLZXEIAVNX-UHFFFAOYSA-N 2 2 340.471 3.151 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852242 309105629 /nfs/dbraw/zinc/10/56/29/309105629.db2.gz VUVBNURKUJUJPY-OAQYLSRUSA-N 3 2 349.482 3.489 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034182 309115592 /nfs/dbraw/zinc/11/55/92/309115592.db2.gz CHPAFOZWBVDPGN-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034182 309115593 /nfs/dbraw/zinc/11/55/93/309115593.db2.gz CHPAFOZWBVDPGN-WCQYABFASA-N 2 2 329.307 3.475 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357622 309283828 /nfs/dbraw/zinc/28/38/28/309283828.db2.gz DRFZEWIROHSGET-UZLBHIALSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357622 309283829 /nfs/dbraw/zinc/28/38/29/309283829.db2.gz DRFZEWIROHSGET-UZLBHIALSA-N 2 2 329.488 3.213 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367928 309284597 /nfs/dbraw/zinc/28/45/97/309284597.db2.gz KBQFDUIMTGQUOE-UNMCSNQZSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367928 309284598 /nfs/dbraw/zinc/28/45/98/309284598.db2.gz KBQFDUIMTGQUOE-UNMCSNQZSA-N 2 2 349.478 3.442 10 0 EGAELP C[N@H+](Cc1ccc(F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899660 309299895 /nfs/dbraw/zinc/29/98/95/309299895.db2.gz HHRORKMHMPINRB-UHFFFAOYSA-N 2 2 328.431 3.290 10 0 EGAELP C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899660 309299896 /nfs/dbraw/zinc/29/98/96/309299896.db2.gz HHRORKMHMPINRB-UHFFFAOYSA-N 2 2 328.431 3.290 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000421351477 309319712 /nfs/dbraw/zinc/31/97/12/309319712.db2.gz ZPXWHKHAXPUWLO-RHSMWYFYSA-N 2 2 346.906 3.382 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421351477 309319713 /nfs/dbraw/zinc/31/97/13/309319713.db2.gz ZPXWHKHAXPUWLO-RHSMWYFYSA-N 2 2 346.906 3.382 10 0 EGAELP C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000422751298 309366412 /nfs/dbraw/zinc/36/64/12/309366412.db2.gz BFZGHCQNHIKACG-BPNCWPANSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccccc2F)[C@H]2CCC[NH2+]2)cc1 ZINC000422756154 309366841 /nfs/dbraw/zinc/36/68/41/309366841.db2.gz GIWPDQVKDJCOHM-WOJBJXKFSA-N 2 2 328.431 3.460 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422819469 309370097 /nfs/dbraw/zinc/37/00/97/309370097.db2.gz IIVSPFUDCUHYIV-GQIGUUNPSA-N 2 2 325.456 3.166 10 0 EGAELP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422934595 309376743 /nfs/dbraw/zinc/37/67/43/309376743.db2.gz CREWVIMAXYEKHV-KBPBESRZSA-N 2 2 326.444 3.330 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000422953284 309377845 /nfs/dbraw/zinc/37/78/45/309377845.db2.gz DVDGXZAZSDXPFI-UEKVPHQBSA-N 2 2 329.271 3.337 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422974195 309379174 /nfs/dbraw/zinc/37/91/74/309379174.db2.gz DKOQTEHSWSLKHI-NQERJWCQSA-N 2 2 340.467 3.415 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@](C)(O)CCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422983438 309379509 /nfs/dbraw/zinc/37/95/09/309379509.db2.gz ZMYSKYSPVQNKSP-AABGKKOBSA-N 2 2 334.504 3.265 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016374 309381108 /nfs/dbraw/zinc/38/11/08/309381108.db2.gz MNENGYHBTDTKRG-IEGACIPQSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016374 309381109 /nfs/dbraw/zinc/38/11/09/309381109.db2.gz MNENGYHBTDTKRG-IEGACIPQSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016374 309381110 /nfs/dbraw/zinc/38/11/10/309381110.db2.gz MNENGYHBTDTKRG-IEGACIPQSA-N 2 2 339.886 3.345 10 0 EGAELP CCC(CC)(C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(=O)OC ZINC000423036751 309382154 /nfs/dbraw/zinc/38/21/54/309382154.db2.gz LLDALJMTTKQHDG-ROUUACIJSA-N 2 2 348.487 3.057 10 0 EGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423122292 309387035 /nfs/dbraw/zinc/38/70/35/309387035.db2.gz CBKFVKZKQQRTNA-HEHGZKQESA-N 2 2 326.893 3.136 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(C)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161278 309388806 /nfs/dbraw/zinc/38/88/06/309388806.db2.gz IOXHWGNYCQZBFX-WOJBJXKFSA-N 2 2 325.456 3.024 10 0 EGAELP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423196517 309390114 /nfs/dbraw/zinc/39/01/14/309390114.db2.gz ZXCNCBVOAJALJZ-BVBHFADKSA-N 2 2 334.891 3.333 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423230975 309391453 /nfs/dbraw/zinc/39/14/53/309391453.db2.gz AGWUTZZXZWWCGU-HOTGVXAUSA-N 2 2 342.439 3.432 10 0 EGAELP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423273873 309393689 /nfs/dbraw/zinc/39/36/89/309393689.db2.gz LAJHJFGWUDWBPB-ZIAGYGMSSA-N 2 2 327.266 3.236 10 0 EGAELP Cc1c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000423376806 309397816 /nfs/dbraw/zinc/39/78/16/309397816.db2.gz YPZBKSOOCUBZRJ-LXIYXOSZSA-N 2 2 332.879 3.483 10 0 EGAELP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1nc2ccccc2n1C ZINC000423522531 309404705 /nfs/dbraw/zinc/40/47/05/309404705.db2.gz HPJYBMIZYUIJQL-PUGNBPNRSA-N 2 2 338.499 3.378 10 0 EGAELP Cc1ccc(C[NH+]2CCOCC2)cc1NCc1c[nH+]cn1C(C)C ZINC000424139714 309430542 /nfs/dbraw/zinc/43/05/42/309430542.db2.gz DVLBNOIETKAAAA-UHFFFAOYSA-N 2 2 328.460 3.217 10 0 EGAELP CCc1ccc(C[NH+]2CCN(Cc3c[nH+]cn3C(C)C)CC2)s1 ZINC000425319197 309473210 /nfs/dbraw/zinc/47/32/10/309473210.db2.gz AEIKUZFKGJSXLX-UHFFFAOYSA-N 2 2 332.517 3.406 10 0 EGAELP CC[C@H]([NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000447794384 309988488 /nfs/dbraw/zinc/98/84/88/309988488.db2.gz DICIBPUYONCKEC-SFHVURJKSA-N 2 2 332.488 3.220 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000449061847 310033833 /nfs/dbraw/zinc/03/38/33/310033833.db2.gz HUJJABKXURMUCN-UHFFFAOYSA-N 2 2 334.395 3.465 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449086155 310035992 /nfs/dbraw/zinc/03/59/92/310035992.db2.gz BAOHKEHNLCOMJX-QIJUGHKUSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449086155 310035993 /nfs/dbraw/zinc/03/59/93/310035993.db2.gz BAOHKEHNLCOMJX-QIJUGHKUSA-N 3 2 341.543 3.298 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449102728 310037114 /nfs/dbraw/zinc/03/71/14/310037114.db2.gz LEWGYENQRDYTNA-IINYFYTJSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449102728 310037115 /nfs/dbraw/zinc/03/71/15/310037115.db2.gz LEWGYENQRDYTNA-IINYFYTJSA-N 2 2 327.241 3.259 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000449187617 310043193 /nfs/dbraw/zinc/04/31/93/310043193.db2.gz KZZYUYNELNQHSX-OXJNMPFZSA-N 2 2 338.499 3.472 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000449187617 310043194 /nfs/dbraw/zinc/04/31/94/310043194.db2.gz KZZYUYNELNQHSX-OXJNMPFZSA-N 2 2 338.499 3.472 10 0 EGAELP CN(C)c1nccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449245711 310047242 /nfs/dbraw/zinc/04/72/42/310047242.db2.gz BZYXGYDZTDQCGF-UHFFFAOYSA-N 2 2 347.551 3.311 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393416 310058346 /nfs/dbraw/zinc/05/83/46/310058346.db2.gz BXHDUQFGACPOKL-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393416 310058347 /nfs/dbraw/zinc/05/83/47/310058347.db2.gz BXHDUQFGACPOKL-UONOGXRCSA-N 2 2 330.925 3.159 10 0 EGAELP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397809 310058859 /nfs/dbraw/zinc/05/88/59/310058859.db2.gz RQONKOCQEIWOHQ-QRQLOZEOSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449397809 310058860 /nfs/dbraw/zinc/05/88/60/310058860.db2.gz RQONKOCQEIWOHQ-QRQLOZEOSA-N 2 2 336.907 3.413 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449515241 310068639 /nfs/dbraw/zinc/06/86/39/310068639.db2.gz YOWHEJXDCOHBST-LULLPPNCSA-N 2 2 330.472 3.143 10 0 EGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449515241 310068640 /nfs/dbraw/zinc/06/86/40/310068640.db2.gz YOWHEJXDCOHBST-LULLPPNCSA-N 2 2 330.472 3.143 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560266 310072255 /nfs/dbraw/zinc/07/22/55/310072255.db2.gz ITEPSBSHZHRDIM-AMZGXZFVSA-N 3 2 341.543 3.297 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560266 310072256 /nfs/dbraw/zinc/07/22/56/310072256.db2.gz ITEPSBSHZHRDIM-AMZGXZFVSA-N 3 2 341.543 3.297 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cc1 ZINC000450680603 310136739 /nfs/dbraw/zinc/13/67/39/310136739.db2.gz LAIWDFPDQQWOIS-CQSZACIVSA-N 2 2 336.443 3.033 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450697183 310137917 /nfs/dbraw/zinc/13/79/17/310137917.db2.gz MOFAYTHPMXBBAN-YOEHRIQHSA-N 2 2 342.512 3.416 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450697183 310137918 /nfs/dbraw/zinc/13/79/18/310137918.db2.gz MOFAYTHPMXBBAN-YOEHRIQHSA-N 2 2 342.512 3.416 10 0 EGAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452789866 310241983 /nfs/dbraw/zinc/24/19/83/310241983.db2.gz DIGHMHKPDKZMAR-OKILXGFUSA-N 2 2 326.444 3.112 10 0 EGAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452789866 310241984 /nfs/dbraw/zinc/24/19/84/310241984.db2.gz DIGHMHKPDKZMAR-OKILXGFUSA-N 2 2 326.444 3.112 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cnn[nH]2)cc1 ZINC000453122630 310259452 /nfs/dbraw/zinc/25/94/52/310259452.db2.gz ONLQIALKPGBLID-LJQANCHMSA-N 2 2 345.466 3.279 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cn[nH]n2)cc1 ZINC000453122630 310259453 /nfs/dbraw/zinc/25/94/53/310259453.db2.gz ONLQIALKPGBLID-LJQANCHMSA-N 2 2 345.466 3.279 10 0 EGAELP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2c[nH]nn2)cc1 ZINC000453122630 310259454 /nfs/dbraw/zinc/25/94/54/310259454.db2.gz ONLQIALKPGBLID-LJQANCHMSA-N 2 2 345.466 3.279 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255242 310266963 /nfs/dbraw/zinc/26/69/63/310266963.db2.gz FJHLIUWUNAHKJE-NHCUHLMSSA-N 2 2 342.458 3.352 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000453255242 310266964 /nfs/dbraw/zinc/26/69/64/310266964.db2.gz FJHLIUWUNAHKJE-NHCUHLMSSA-N 2 2 342.458 3.352 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270251 310268175 /nfs/dbraw/zinc/26/81/75/310268175.db2.gz SDNMKILYXCBASD-UWJYYQICSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270251 310268176 /nfs/dbraw/zinc/26/81/76/310268176.db2.gz SDNMKILYXCBASD-UWJYYQICSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292969 310269475 /nfs/dbraw/zinc/26/94/75/310269475.db2.gz PBDSFLZTMYGXMM-HZPDHXFCSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292969 310269476 /nfs/dbraw/zinc/26/94/76/310269476.db2.gz PBDSFLZTMYGXMM-HZPDHXFCSA-N 2 2 330.447 3.476 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000453311687 310270327 /nfs/dbraw/zinc/27/03/27/310270327.db2.gz BBPVHAGPOUKXJR-ZSXPUABSSA-N 2 2 345.531 3.333 10 0 EGAELP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000453311687 310270328 /nfs/dbraw/zinc/27/03/28/310270328.db2.gz BBPVHAGPOUKXJR-ZSXPUABSSA-N 2 2 345.531 3.333 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)Cc2ccccc2C1 ZINC000466342451 310650161 /nfs/dbraw/zinc/65/01/61/310650161.db2.gz DMUPKJKLWNVEGM-DUXKGJEZSA-N 2 2 342.527 3.271 10 0 EGAELP Cc1cc[nH+]c(N2CC[NH+](CCCCOc3ccccc3)CC2)c1 ZINC000483535437 310952092 /nfs/dbraw/zinc/95/20/92/310952092.db2.gz YWXYCEJMYNBEJW-UHFFFAOYSA-N 2 2 325.456 3.371 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000491061403 311162705 /nfs/dbraw/zinc/16/27/05/311162705.db2.gz MQMZKQPWELMPAV-FQEVSTJZSA-N 2 2 349.563 3.271 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000491061403 311162706 /nfs/dbraw/zinc/16/27/06/311162706.db2.gz MQMZKQPWELMPAV-FQEVSTJZSA-N 2 2 349.563 3.271 10 0 EGAELP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[NH+](C)C)cc1 ZINC000495027090 311532494 /nfs/dbraw/zinc/53/24/94/311532494.db2.gz KNPCWHDSNQXJRN-OALUTQOASA-N 2 2 345.531 3.135 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510653653 312145859 /nfs/dbraw/zinc/14/58/59/312145859.db2.gz SPWYXJNBHBSKGE-NHCUHLMSSA-N 2 2 327.516 3.367 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291244 312181547 /nfs/dbraw/zinc/18/15/47/312181547.db2.gz GMAAQPQCDVSAOB-CTNGQTDRSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291244 312181550 /nfs/dbraw/zinc/18/15/50/312181550.db2.gz GMAAQPQCDVSAOB-CTNGQTDRSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291244 312181552 /nfs/dbraw/zinc/18/15/52/312181552.db2.gz GMAAQPQCDVSAOB-CTNGQTDRSA-N 2 2 344.499 3.172 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291244 312181554 /nfs/dbraw/zinc/18/15/54/312181554.db2.gz GMAAQPQCDVSAOB-CTNGQTDRSA-N 2 2 344.499 3.172 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514086746 312224169 /nfs/dbraw/zinc/22/41/69/312224169.db2.gz CMYOXOUOSLHOBO-FDFHNCONSA-N 3 2 341.543 3.156 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514086746 312224171 /nfs/dbraw/zinc/22/41/71/312224171.db2.gz CMYOXOUOSLHOBO-FDFHNCONSA-N 3 2 341.543 3.156 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569947 313358734 /nfs/dbraw/zinc/35/87/34/313358734.db2.gz SBWRSDOASYPIFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569947 313358737 /nfs/dbraw/zinc/35/87/37/313358737.db2.gz SBWRSDOASYPIFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2Br)C1 ZINC000529569947 313358740 /nfs/dbraw/zinc/35/87/40/313358740.db2.gz SBWRSDOASYPIFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccsc2Br)C1 ZINC000529569947 313358742 /nfs/dbraw/zinc/35/87/42/313358742.db2.gz SBWRSDOASYPIFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP COc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000535851022 314080195 /nfs/dbraw/zinc/08/01/95/314080195.db2.gz AIGSCOPROLRPQV-RLFYNMQTSA-N 2 2 341.455 3.298 10 0 EGAELP COc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000535851022 314080198 /nfs/dbraw/zinc/08/01/98/314080198.db2.gz AIGSCOPROLRPQV-RLFYNMQTSA-N 2 2 341.455 3.298 10 0 EGAELP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940171 314218187 /nfs/dbraw/zinc/21/81/87/314218187.db2.gz XXBYUPDOCLRXKD-AZUAARDMSA-N 3 2 329.532 3.219 10 0 EGAELP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940171 314218191 /nfs/dbraw/zinc/21/81/91/314218191.db2.gz XXBYUPDOCLRXKD-AZUAARDMSA-N 3 2 329.532 3.219 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[NH+](CC)CC)cc1 ZINC000551229640 315146282 /nfs/dbraw/zinc/14/62/82/315146282.db2.gz WXAWQAOOUIMIGK-RBUKOAKNSA-N 2 2 345.531 3.279 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570161445 317016320 /nfs/dbraw/zinc/01/63/20/317016320.db2.gz XEGKVKOWYZTXER-FQEVSTJZSA-N 3 2 338.499 3.368 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570161445 317016322 /nfs/dbraw/zinc/01/63/22/317016322.db2.gz XEGKVKOWYZTXER-FQEVSTJZSA-N 3 2 338.499 3.368 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351203 /nfs/dbraw/zinc/35/12/03/317351203.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351206 /nfs/dbraw/zinc/35/12/06/317351206.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351209 /nfs/dbraw/zinc/35/12/09/317351209.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351211 /nfs/dbraw/zinc/35/12/11/317351211.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 3 2 339.527 3.258 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397983 324020727 /nfs/dbraw/zinc/02/07/27/324020727.db2.gz AWVUCBGJUVDJCE-PXNSSMCTSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349397983 324020728 /nfs/dbraw/zinc/02/07/28/324020728.db2.gz AWVUCBGJUVDJCE-PXNSSMCTSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381630818 324246838 /nfs/dbraw/zinc/24/68/38/324246838.db2.gz VMFNURUMODFNEY-CVEARBPZSA-N 2 2 339.524 3.096 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000578867681 325030280 /nfs/dbraw/zinc/03/02/80/325030280.db2.gz YCXZRXJJESKYCJ-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000578867681 325030284 /nfs/dbraw/zinc/03/02/84/325030284.db2.gz YCXZRXJJESKYCJ-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000579006998 325050375 /nfs/dbraw/zinc/05/03/75/325050375.db2.gz ULRJDCRJGRORJQ-HXUWFJFHSA-N 2 2 349.478 3.072 10 0 EGAELP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000579006998 325050379 /nfs/dbraw/zinc/05/03/79/325050379.db2.gz ULRJDCRJGRORJQ-HXUWFJFHSA-N 2 2 349.478 3.072 10 0 EGAELP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579237286 325081693 /nfs/dbraw/zinc/08/16/93/325081693.db2.gz CCPBPIJXDAYVKD-SFHVURJKSA-N 2 2 337.467 3.377 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC000580008669 325188645 /nfs/dbraw/zinc/18/86/45/325188645.db2.gz VHCLZCVAMPTSED-WBVHZDCISA-N 2 2 337.508 3.199 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC000580008669 325188649 /nfs/dbraw/zinc/18/86/49/325188649.db2.gz VHCLZCVAMPTSED-WBVHZDCISA-N 2 2 337.508 3.199 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581549146 325371004 /nfs/dbraw/zinc/37/10/04/325371004.db2.gz YGNVLELEYJWZIX-JXFKEZNVSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581549146 325371007 /nfs/dbraw/zinc/37/10/07/325371007.db2.gz YGNVLELEYJWZIX-JXFKEZNVSA-N 2 2 329.488 3.213 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C)CC1 ZINC000180655813 455219936 /nfs/dbraw/zinc/21/99/36/455219936.db2.gz UCIJCGCHSTVJFF-DLBZAZTESA-N 2 2 340.471 3.170 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676228 455224353 /nfs/dbraw/zinc/22/43/53/455224353.db2.gz WCOQWGZDFXAUPN-ZACQAIPSSA-N 2 2 340.471 3.027 10 0 EGAELP Cc1cccn2cc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)[nH+]c12 ZINC000264676715 455260593 /nfs/dbraw/zinc/26/05/93/455260593.db2.gz KDZQMOKSYVMAFY-UHFFFAOYSA-N 2 2 348.450 3.169 10 0 EGAELP Cc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C1CC1 ZINC000183674778 455319990 /nfs/dbraw/zinc/31/99/90/455319990.db2.gz OWDJDVGBFSQQFB-ZDUSSCGKSA-N 2 2 336.443 3.266 10 0 EGAELP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC000631890042 460589195 /nfs/dbraw/zinc/58/91/95/460589195.db2.gz LXEIYDQOMDBMDO-PZJWPPBQSA-N 2 2 337.467 3.235 10 0 EGAELP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC000631890042 460589200 /nfs/dbraw/zinc/58/92/00/460589200.db2.gz LXEIYDQOMDBMDO-PZJWPPBQSA-N 2 2 337.467 3.235 10 0 EGAELP CC[C@H](C)c1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000626650467 460614182 /nfs/dbraw/zinc/61/41/82/460614182.db2.gz BQEGPBXTYBJJIS-INIZCTEOSA-N 2 2 346.519 3.348 10 0 EGAELP COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612402202 460621110 /nfs/dbraw/zinc/62/11/10/460621110.db2.gz QZYBSCJCKYJKEP-AWEZNQCLSA-N 2 2 347.484 3.345 10 0 EGAELP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612402202 460621116 /nfs/dbraw/zinc/62/11/16/460621116.db2.gz QZYBSCJCKYJKEP-AWEZNQCLSA-N 2 2 347.484 3.345 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000088694890 454116709 /nfs/dbraw/zinc/11/67/09/454116709.db2.gz MQAZMBDIYCNECE-YJBOKZPZSA-N 2 2 326.440 3.011 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000088694890 454116710 /nfs/dbraw/zinc/11/67/10/454116710.db2.gz MQAZMBDIYCNECE-YJBOKZPZSA-N 2 2 326.440 3.011 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000057847022 454152101 /nfs/dbraw/zinc/15/21/01/454152101.db2.gz BQDQDNQYUKZQPZ-UHFFFAOYSA-N 2 2 337.895 3.332 10 0 EGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095969196 454243820 /nfs/dbraw/zinc/24/38/20/454243820.db2.gz ZBBHCZBIKAMLKC-YOEHRIQHSA-N 2 2 336.443 3.212 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCSCc3ccccc3)CC2)CCO1 ZINC000090519059 454315138 /nfs/dbraw/zinc/31/51/38/454315138.db2.gz WVPKWUXMCPGJHE-GOSISDBHSA-N 2 2 348.556 3.495 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCSCc3ccccc3)CC2)CCO1 ZINC000090519059 454315142 /nfs/dbraw/zinc/31/51/42/454315142.db2.gz WVPKWUXMCPGJHE-GOSISDBHSA-N 2 2 348.556 3.495 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879315 454347788 /nfs/dbraw/zinc/34/77/88/454347788.db2.gz YAEAQVPYIHRFSU-XLIONFOSSA-N 2 2 347.466 3.192 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879315 454347795 /nfs/dbraw/zinc/34/77/95/454347795.db2.gz YAEAQVPYIHRFSU-XLIONFOSSA-N 2 2 347.466 3.192 10 0 EGAELP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)c3nccs3)CC[N@@H+]2C)cc1 ZINC000097032849 454390832 /nfs/dbraw/zinc/39/08/32/454390832.db2.gz SIKDNZQPNFSBAU-UKPHBRMFSA-N 2 2 331.485 3.495 10 0 EGAELP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)c3nccs3)CC[N@H+]2C)cc1 ZINC000097032849 454390837 /nfs/dbraw/zinc/39/08/37/454390837.db2.gz SIKDNZQPNFSBAU-UKPHBRMFSA-N 2 2 331.485 3.495 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182198201 455458663 /nfs/dbraw/zinc/45/86/63/455458663.db2.gz JYRQIIHSKIWEMF-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182198201 455458669 /nfs/dbraw/zinc/45/86/69/455458669.db2.gz JYRQIIHSKIWEMF-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182198201 455458674 /nfs/dbraw/zinc/45/86/74/455458674.db2.gz JYRQIIHSKIWEMF-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182198201 455458678 /nfs/dbraw/zinc/45/86/78/455458678.db2.gz JYRQIIHSKIWEMF-WFASDCNBSA-N 2 2 341.293 3.372 10 0 EGAELP c1ccc(OCCOCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052005713 454646184 /nfs/dbraw/zinc/64/61/84/454646184.db2.gz BUQOGBVRTOIKQO-UHFFFAOYSA-N 2 2 332.488 3.032 10 0 EGAELP CCn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2cc(F)ccc21 ZINC000080960462 454656810 /nfs/dbraw/zinc/65/68/10/454656810.db2.gz SZQJRKZKEAMPNN-ZDUSSCGKSA-N 2 2 327.407 3.298 10 0 EGAELP CCn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2cc(F)ccc21 ZINC000080960462 454656811 /nfs/dbraw/zinc/65/68/11/454656811.db2.gz SZQJRKZKEAMPNN-ZDUSSCGKSA-N 2 2 327.407 3.298 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000080982997 454665632 /nfs/dbraw/zinc/66/56/32/454665632.db2.gz UZHFBHAXLKKBBA-HOCLYGCPSA-N 2 2 327.476 3.357 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000080982997 454665634 /nfs/dbraw/zinc/66/56/34/454665634.db2.gz UZHFBHAXLKKBBA-HOCLYGCPSA-N 2 2 327.476 3.357 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000106215593 454686102 /nfs/dbraw/zinc/68/61/02/454686102.db2.gz HHGJMBFSRZGESQ-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000106215593 454686106 /nfs/dbraw/zinc/68/61/06/454686106.db2.gz HHGJMBFSRZGESQ-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153119697 454762084 /nfs/dbraw/zinc/76/20/84/454762084.db2.gz PQHNKWCKNLWPQJ-RHSMWYFYSA-N 2 2 338.879 3.112 10 0 EGAELP C[N@H+]([C@@H]1CCc2ccc(F)cc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000177025450 454813405 /nfs/dbraw/zinc/81/34/05/454813405.db2.gz HADAYRAVIAOLCC-HXUWFJFHSA-N 2 2 342.462 3.106 10 0 EGAELP C[N@@H+]([C@@H]1CCc2ccc(F)cc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000177025450 454813407 /nfs/dbraw/zinc/81/34/07/454813407.db2.gz HADAYRAVIAOLCC-HXUWFJFHSA-N 2 2 342.462 3.106 10 0 EGAELP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289159 454847044 /nfs/dbraw/zinc/84/70/44/454847044.db2.gz HGXGRUGMBCQBTL-MSOLQXFVSA-N 2 2 340.471 3.437 10 0 EGAELP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000177289159 454847047 /nfs/dbraw/zinc/84/70/47/454847047.db2.gz HGXGRUGMBCQBTL-MSOLQXFVSA-N 2 2 340.471 3.437 10 0 EGAELP Cc1ccc2nc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cn2c1 ZINC000151116908 454940192 /nfs/dbraw/zinc/94/01/92/454940192.db2.gz AMDCZXMCVANCHM-QGZVFWFLSA-N 2 2 335.455 3.280 10 0 EGAELP Cc1ccc2nc(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cn2c1 ZINC000151116908 454940199 /nfs/dbraw/zinc/94/01/99/454940199.db2.gz AMDCZXMCVANCHM-QGZVFWFLSA-N 2 2 335.455 3.280 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000178530143 454959431 /nfs/dbraw/zinc/95/94/31/454959431.db2.gz WIRLAGKRYFOECH-WZGPROSRSA-N 2 2 331.504 3.085 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000178530143 454959434 /nfs/dbraw/zinc/95/94/34/454959434.db2.gz WIRLAGKRYFOECH-WZGPROSRSA-N 2 2 331.504 3.085 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000151298894 454965087 /nfs/dbraw/zinc/96/50/87/454965087.db2.gz HPBRWOQZRXKQKH-KGLIPLIRSA-N 2 2 330.394 3.203 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653504 455083038 /nfs/dbraw/zinc/08/30/38/455083038.db2.gz AHUUZLLJNOBGCV-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653504 455083044 /nfs/dbraw/zinc/08/30/44/455083044.db2.gz AHUUZLLJNOBGCV-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000180102715 455132416 /nfs/dbraw/zinc/13/24/16/455132416.db2.gz NTAZQTCKVYRAGA-UXHICEINSA-N 2 2 346.434 3.048 10 0 EGAELP C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000180102715 455132421 /nfs/dbraw/zinc/13/24/21/455132421.db2.gz NTAZQTCKVYRAGA-UXHICEINSA-N 2 2 346.434 3.048 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000180106052 455132788 /nfs/dbraw/zinc/13/27/88/455132788.db2.gz MDMXEFUKRWPXAO-XDNSSPFJSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000180106052 455132791 /nfs/dbraw/zinc/13/27/91/455132791.db2.gz MDMXEFUKRWPXAO-XDNSSPFJSA-N 3 2 339.527 3.398 10 0 EGAELP Clc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246453226 455493657 /nfs/dbraw/zinc/49/36/57/455493657.db2.gz FAHUVFXDOLTOOO-KBXCAEBGSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246453226 455493662 /nfs/dbraw/zinc/49/36/62/455493662.db2.gz FAHUVFXDOLTOOO-KBXCAEBGSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246453226 455493666 /nfs/dbraw/zinc/49/36/66/455493666.db2.gz FAHUVFXDOLTOOO-KBXCAEBGSA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246453226 455493670 /nfs/dbraw/zinc/49/36/70/455493670.db2.gz FAHUVFXDOLTOOO-KBXCAEBGSA-N 2 2 344.890 3.436 10 0 EGAELP COC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000182355348 455495581 /nfs/dbraw/zinc/49/55/81/455495581.db2.gz AGQOWJFUFVUXDM-QGZVFWFLSA-N 2 2 344.365 3.023 10 0 EGAELP COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000182444546 455515482 /nfs/dbraw/zinc/51/54/82/455515482.db2.gz DDZZFQDZHGPUSJ-STQMWFEESA-N 2 2 341.415 3.122 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279241 455582806 /nfs/dbraw/zinc/58/28/06/455582806.db2.gz XEVFZPFNPXCSKM-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279241 455582809 /nfs/dbraw/zinc/58/28/09/455582809.db2.gz XEVFZPFNPXCSKM-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279241 455582811 /nfs/dbraw/zinc/58/28/11/455582811.db2.gz XEVFZPFNPXCSKM-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000247279241 455582816 /nfs/dbraw/zinc/58/28/16/455582816.db2.gz XEVFZPFNPXCSKM-LPHOPBHVSA-N 2 2 331.504 3.411 10 0 EGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250225908 455786501 /nfs/dbraw/zinc/78/65/01/455786501.db2.gz WSDMQSUOTXNGNL-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250225908 455786503 /nfs/dbraw/zinc/78/65/03/455786503.db2.gz WSDMQSUOTXNGNL-DGCLKSJQSA-N 2 2 329.307 3.475 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249808638 455776608 /nfs/dbraw/zinc/77/66/08/455776608.db2.gz BZXRNPBRAIAPSZ-KBPBESRZSA-N 2 2 329.448 3.257 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249808638 455776613 /nfs/dbraw/zinc/77/66/13/455776613.db2.gz BZXRNPBRAIAPSZ-KBPBESRZSA-N 2 2 329.448 3.257 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194382419 455834326 /nfs/dbraw/zinc/83/43/26/455834326.db2.gz WITLCLCKUPYCHQ-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194382419 455834331 /nfs/dbraw/zinc/83/43/31/455834331.db2.gz WITLCLCKUPYCHQ-CQSZACIVSA-N 2 2 327.925 3.003 10 0 EGAELP CCC[NH+]1CCN(c2ccc(NCc3[nH+]ccn3C)cc2Cl)CC1 ZINC000269327199 455835676 /nfs/dbraw/zinc/83/56/76/455835676.db2.gz UUMUHHXKHHNWKK-UHFFFAOYSA-N 2 2 347.894 3.218 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2C(C)C)C1 ZINC000195251542 455937338 /nfs/dbraw/zinc/93/73/38/455937338.db2.gz XVGONXFAEZKSEB-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2C(C)C)C1 ZINC000195251542 455937346 /nfs/dbraw/zinc/93/73/46/455937346.db2.gz XVGONXFAEZKSEB-MRXNPFEDSA-N 2 2 347.532 3.183 10 0 EGAELP C[C@@H](Cc1c[nH]c2ccc3c(c12)CCCO3)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000209160060 456019724 /nfs/dbraw/zinc/01/97/24/456019724.db2.gz RJQNDVFNVRMTPL-LIRRHRJNSA-N 2 2 339.483 3.108 10 0 EGAELP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620621166 460709391 /nfs/dbraw/zinc/70/93/91/460709391.db2.gz HDCIHUXDNXUIHU-KRWDZBQOSA-N 2 2 342.487 3.168 10 0 EGAELP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000620621166 460709394 /nfs/dbraw/zinc/70/93/94/460709394.db2.gz HDCIHUXDNXUIHU-KRWDZBQOSA-N 2 2 342.487 3.168 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000272843556 456088035 /nfs/dbraw/zinc/08/80/35/456088035.db2.gz JDVDWDSDZKWBAN-HNNXBMFYSA-N 2 2 325.460 3.264 10 0 EGAELP COc1cccc2c(NC[C@@H](C)[N@@H+]3CCOC[C@@H]3C)cc(C)[nH+]c12 ZINC000301641862 456171122 /nfs/dbraw/zinc/17/11/22/456171122.db2.gz BNZAPGKNRRUQBI-CABCVRRESA-N 2 2 329.444 3.073 10 0 EGAELP COc1cccc2c(NC[C@@H](C)[N@H+]3CCOC[C@@H]3C)cc(C)[nH+]c12 ZINC000301641862 456171127 /nfs/dbraw/zinc/17/11/27/456171127.db2.gz BNZAPGKNRRUQBI-CABCVRRESA-N 2 2 329.444 3.073 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1ccccc1 ZINC000290205489 456266123 /nfs/dbraw/zinc/26/61/23/456266123.db2.gz GZLCKWZSLLIXEQ-XJKSGUPXSA-N 2 2 330.394 3.115 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296458 456282665 /nfs/dbraw/zinc/28/26/65/456282665.db2.gz AUSPFAKEBDLIMI-ABAIWWIYSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296458 456282658 /nfs/dbraw/zinc/28/26/58/456282658.db2.gz AUSPFAKEBDLIMI-ABAIWWIYSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296458 456282660 /nfs/dbraw/zinc/28/26/60/456282660.db2.gz AUSPFAKEBDLIMI-ABAIWWIYSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296458 456282663 /nfs/dbraw/zinc/28/26/63/456282663.db2.gz AUSPFAKEBDLIMI-ABAIWWIYSA-N 2 2 329.257 3.360 10 0 EGAELP CCc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091069 456284835 /nfs/dbraw/zinc/28/48/35/456284835.db2.gz MCLKSNQAEMFVQR-WMZOPIPTSA-N 2 2 332.398 3.483 10 0 EGAELP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091069 456284837 /nfs/dbraw/zinc/28/48/37/456284837.db2.gz MCLKSNQAEMFVQR-WMZOPIPTSA-N 2 2 332.398 3.483 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000297847069 456308291 /nfs/dbraw/zinc/30/82/91/456308291.db2.gz OHGZCDMMWDRVJW-WFASDCNBSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000297847069 456308296 /nfs/dbraw/zinc/30/82/96/456308296.db2.gz OHGZCDMMWDRVJW-WFASDCNBSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000297847069 456308302 /nfs/dbraw/zinc/30/83/02/456308302.db2.gz OHGZCDMMWDRVJW-WFASDCNBSA-N 2 2 332.517 3.496 10 0 EGAELP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000297847069 456308309 /nfs/dbraw/zinc/30/83/09/456308309.db2.gz OHGZCDMMWDRVJW-WFASDCNBSA-N 2 2 332.517 3.496 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281902636 456354571 /nfs/dbraw/zinc/35/45/71/456354571.db2.gz BQKZBOMBIAYLKV-HNNXBMFYSA-N 2 2 326.444 3.003 10 0 EGAELP CC(C)c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282000789 456386513 /nfs/dbraw/zinc/38/65/13/456386513.db2.gz IVHWICINOPSCRA-AWEZNQCLSA-N 2 2 329.448 3.105 10 0 EGAELP CC(C)c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282000789 456386519 /nfs/dbraw/zinc/38/65/19/456386519.db2.gz IVHWICINOPSCRA-AWEZNQCLSA-N 2 2 329.448 3.105 10 0 EGAELP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348219849 456544236 /nfs/dbraw/zinc/54/42/36/456544236.db2.gz MRRQMLJSHNHTET-MRXNPFEDSA-N 2 2 344.528 3.306 10 0 EGAELP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348219849 456544241 /nfs/dbraw/zinc/54/42/41/456544241.db2.gz MRRQMLJSHNHTET-MRXNPFEDSA-N 2 2 344.528 3.306 10 0 EGAELP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353249278 456584815 /nfs/dbraw/zinc/58/48/15/456584815.db2.gz NDTMLOZBEFLGLT-LLVKDONJSA-N 2 2 339.270 3.430 10 0 EGAELP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353249278 456584818 /nfs/dbraw/zinc/58/48/18/456584818.db2.gz NDTMLOZBEFLGLT-LLVKDONJSA-N 2 2 339.270 3.430 10 0 EGAELP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000324603191 456671015 /nfs/dbraw/zinc/67/10/15/456671015.db2.gz IGRBWXANSBQMKD-RDJZCZTQSA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000324603191 456671022 /nfs/dbraw/zinc/67/10/22/456671022.db2.gz IGRBWXANSBQMKD-RDJZCZTQSA-N 2 2 326.444 3.009 10 0 EGAELP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000325087514 456678632 /nfs/dbraw/zinc/67/86/32/456678632.db2.gz IYSHUIDOSZMNRG-LSDHHAIUSA-N 2 2 346.500 3.337 10 0 EGAELP c1csc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000325087514 456678640 /nfs/dbraw/zinc/67/86/40/456678640.db2.gz IYSHUIDOSZMNRG-LSDHHAIUSA-N 2 2 346.500 3.337 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000343566892 456711283 /nfs/dbraw/zinc/71/12/83/456711283.db2.gz LFTLYPNGWZWEPZ-DOTOQJQBSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000343566892 456711290 /nfs/dbraw/zinc/71/12/90/456711290.db2.gz LFTLYPNGWZWEPZ-DOTOQJQBSA-N 2 2 341.455 3.312 10 0 EGAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000353597912 456792856 /nfs/dbraw/zinc/79/28/56/456792856.db2.gz QYLNXUJDVOOZRV-PMACEKPBSA-N 2 2 343.519 3.148 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356053 456951166 /nfs/dbraw/zinc/95/11/66/456951166.db2.gz VHIVALNOETVCSB-RYBCJPSJSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356053 456951172 /nfs/dbraw/zinc/95/11/72/456951172.db2.gz VHIVALNOETVCSB-RYBCJPSJSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356053 456951175 /nfs/dbraw/zinc/95/11/75/456951175.db2.gz VHIVALNOETVCSB-RYBCJPSJSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356053 456951181 /nfs/dbraw/zinc/95/11/81/456951181.db2.gz VHIVALNOETVCSB-RYBCJPSJSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349563170 456987681 /nfs/dbraw/zinc/98/76/81/456987681.db2.gz GXVWGZJOEWXPLS-UZLBHIALSA-N 2 2 335.455 3.048 10 0 EGAELP Cn1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349782067 457050564 /nfs/dbraw/zinc/05/05/64/457050564.db2.gz IDGPMVIJFAFMFN-GOSISDBHSA-N 2 2 330.863 3.014 10 0 EGAELP Cn1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349782067 457050569 /nfs/dbraw/zinc/05/05/69/457050569.db2.gz IDGPMVIJFAFMFN-GOSISDBHSA-N 2 2 330.863 3.014 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433231 457115357 /nfs/dbraw/zinc/11/53/57/457115357.db2.gz CTKOEFFNTVWYMD-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433231 457115365 /nfs/dbraw/zinc/11/53/65/457115365.db2.gz CTKOEFFNTVWYMD-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433231 457115368 /nfs/dbraw/zinc/11/53/68/457115368.db2.gz CTKOEFFNTVWYMD-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433231 457115373 /nfs/dbraw/zinc/11/53/73/457115373.db2.gz CTKOEFFNTVWYMD-KXBFYZLASA-N 2 2 326.444 3.215 10 0 EGAELP CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339437823 457118064 /nfs/dbraw/zinc/11/80/64/457118064.db2.gz NHISHFZKIOZSIE-OAHLLOKOSA-N 2 2 339.911 3.008 10 0 EGAELP CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339437823 457118069 /nfs/dbraw/zinc/11/80/69/457118069.db2.gz NHISHFZKIOZSIE-OAHLLOKOSA-N 2 2 339.911 3.008 10 0 EGAELP COc1cc(OC)c(C[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000354201001 457126646 /nfs/dbraw/zinc/12/66/46/457126646.db2.gz WVHMUZYOULFQCF-UHFFFAOYSA-N 2 2 330.428 3.138 10 0 EGAELP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000359917269 457146855 /nfs/dbraw/zinc/14/68/55/457146855.db2.gz RTHKRZQIBOABLN-INIZCTEOSA-N 2 2 339.439 3.254 10 0 EGAELP CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000359917269 457146856 /nfs/dbraw/zinc/14/68/56/457146856.db2.gz RTHKRZQIBOABLN-INIZCTEOSA-N 2 2 339.439 3.254 10 0 EGAELP COc1cc(C)[nH+]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000339816113 457287007 /nfs/dbraw/zinc/28/70/07/457287007.db2.gz DSLRZSXJGYTMQL-IBGZPJMESA-N 2 2 325.456 3.105 10 0 EGAELP COc1cc(C)[nH+]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000339816113 457287012 /nfs/dbraw/zinc/28/70/12/457287012.db2.gz DSLRZSXJGYTMQL-IBGZPJMESA-N 2 2 325.456 3.105 10 0 EGAELP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000373895642 457389860 /nfs/dbraw/zinc/38/98/60/457389860.db2.gz AVZUATWLJMODAY-JXFKEZNVSA-N 2 2 325.456 3.416 10 0 EGAELP CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000360916849 457431234 /nfs/dbraw/zinc/43/12/34/457431234.db2.gz BFBHOCOWHQBDIW-OXJNMPFZSA-N 2 2 348.450 3.400 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000374200786 457521435 /nfs/dbraw/zinc/52/14/35/457521435.db2.gz RJOUIJMERRTQSM-HNNXBMFYSA-N 2 2 326.444 3.233 10 0 EGAELP Cc1noc(C)c1CO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000370730587 457708566 /nfs/dbraw/zinc/70/85/66/457708566.db2.gz PISAJFXQQRJSCP-SFHVURJKSA-N 2 2 329.444 3.219 10 0 EGAELP Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000370730587 457708572 /nfs/dbraw/zinc/70/85/72/457708572.db2.gz PISAJFXQQRJSCP-SFHVURJKSA-N 2 2 329.444 3.219 10 0 EGAELP COC[C@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H](C)O1 ZINC000361394837 457716685 /nfs/dbraw/zinc/71/66/85/457716685.db2.gz IRUHZKWKLQXECV-FUHWJXTLSA-N 2 2 345.487 3.251 10 0 EGAELP COC[C@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C[C@H](C)O1 ZINC000361394837 457716689 /nfs/dbraw/zinc/71/66/89/457716689.db2.gz IRUHZKWKLQXECV-FUHWJXTLSA-N 2 2 345.487 3.251 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000361397944 457718350 /nfs/dbraw/zinc/71/83/50/457718350.db2.gz ZMQQANZREOEFIT-VOIUYBSRSA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000361397944 457718352 /nfs/dbraw/zinc/71/83/52/457718352.db2.gz ZMQQANZREOEFIT-VOIUYBSRSA-N 2 2 347.528 3.358 10 0 EGAELP C[NH+]1CCC(CNC(=O)C2CC(C(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000457616725 457766104 /nfs/dbraw/zinc/76/61/04/457766104.db2.gz NOZMMWLJPCAHQL-UHFFFAOYSA-N 2 2 349.563 3.125 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000361531993 457775543 /nfs/dbraw/zinc/77/55/43/457775543.db2.gz UZECJXPJGWEYQG-ZDUSSCGKSA-N 2 2 333.382 3.252 10 0 EGAELP COC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000358200597 457855119 /nfs/dbraw/zinc/85/51/19/457855119.db2.gz JBGQHZXOXBMXBH-SFHVURJKSA-N 2 2 329.419 3.167 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000371346875 457877659 /nfs/dbraw/zinc/87/76/59/457877659.db2.gz AQZQZDWDSKBMIK-OXQOHEQNSA-N 2 2 336.483 3.149 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@H+]1Cc1ccccc1 ZINC000371346875 457877665 /nfs/dbraw/zinc/87/76/65/457877665.db2.gz AQZQZDWDSKBMIK-OXQOHEQNSA-N 2 2 336.483 3.149 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000411519119 457909895 /nfs/dbraw/zinc/90/98/95/457909895.db2.gz REPMYFMHXUSKAJ-NVXWUHKLSA-N 2 2 345.487 3.001 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000411519119 457909899 /nfs/dbraw/zinc/90/98/99/457909899.db2.gz REPMYFMHXUSKAJ-NVXWUHKLSA-N 2 2 345.487 3.001 10 0 EGAELP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411874612 458000487 /nfs/dbraw/zinc/00/04/87/458000487.db2.gz OHMBJSAYWOFVLY-UHFFFAOYSA-N 2 2 348.878 3.397 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000368103176 458009709 /nfs/dbraw/zinc/00/97/09/458009709.db2.gz SUYRBIBLNKEOLK-YVEFUNNKSA-N 2 2 341.846 3.033 10 0 EGAELP O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929761 458012805 /nfs/dbraw/zinc/01/28/05/458012805.db2.gz YCHVPHQUHVSWKM-LEWJYISDSA-N 2 2 333.435 3.239 10 0 EGAELP O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929761 458012812 /nfs/dbraw/zinc/01/28/12/458012812.db2.gz YCHVPHQUHVSWKM-LEWJYISDSA-N 2 2 333.435 3.239 10 0 EGAELP Clc1ccccc1-c1nnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000369348132 458183188 /nfs/dbraw/zinc/18/31/88/458183188.db2.gz HHVUVFOWXUGMKA-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000372883949 458339459 /nfs/dbraw/zinc/33/94/59/458339459.db2.gz RYUAHJAKKJMLOP-SFHVURJKSA-N 2 2 337.471 3.015 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459656666 458437966 /nfs/dbraw/zinc/43/79/66/458437966.db2.gz HDPOJWODQZYCDN-LLVKDONJSA-N 2 2 340.240 3.085 10 0 EGAELP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663285 458440433 /nfs/dbraw/zinc/44/04/33/458440433.db2.gz WTVWMGNUIKHCSQ-LPHOPBHVSA-N 3 2 326.488 3.467 10 0 EGAELP CC(C)n1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373487505 458507318 /nfs/dbraw/zinc/50/73/18/458507318.db2.gz WDQCVNNQZHUZBU-UHFFFAOYSA-N 2 2 344.425 3.359 10 0 EGAELP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000518999635 458906585 /nfs/dbraw/zinc/90/65/85/458906585.db2.gz IHOVXQYWWHOMIH-KRWDZBQOSA-N 2 2 338.879 3.083 10 0 EGAELP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441369584 458929481 /nfs/dbraw/zinc/92/94/81/458929481.db2.gz FBIWIPKRWQAFMP-IEBWSBKVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)C(C)C)c(C)c1 ZINC000441388562 458934545 /nfs/dbraw/zinc/93/45/45/458934545.db2.gz SEDCBRAFWSZRTR-IEBWSBKVSA-N 2 2 342.487 3.086 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000567236007 459071423 /nfs/dbraw/zinc/07/14/23/459071423.db2.gz AOEDQAJQVSTLQE-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000567236007 459071429 /nfs/dbraw/zinc/07/14/29/459071429.db2.gz AOEDQAJQVSTLQE-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567613959 459134194 /nfs/dbraw/zinc/13/41/94/459134194.db2.gz WOALSWXJXJCPEV-IIBYNOLFSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567613959 459134196 /nfs/dbraw/zinc/13/41/96/459134196.db2.gz WOALSWXJXJCPEV-IIBYNOLFSA-N 2 2 343.515 3.214 10 0 EGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594952572 459190560 /nfs/dbraw/zinc/19/05/60/459190560.db2.gz XBYUMOHWFGFRFU-CWRNSKLLSA-N 2 2 347.503 3.311 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578442926 459201874 /nfs/dbraw/zinc/20/18/74/459201874.db2.gz NVYCTBGRERZZES-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578442926 459201876 /nfs/dbraw/zinc/20/18/76/459201876.db2.gz NVYCTBGRERZZES-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535691 459203328 /nfs/dbraw/zinc/20/33/28/459203328.db2.gz LMJPJFPUWXRXGD-CEWLAPEOSA-N 3 2 331.548 3.463 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535691 459203333 /nfs/dbraw/zinc/20/33/33/459203333.db2.gz LMJPJFPUWXRXGD-CEWLAPEOSA-N 3 2 331.548 3.463 10 0 EGAELP C[C@H](CSCCF)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000595023167 459219848 /nfs/dbraw/zinc/21/98/48/459219848.db2.gz SSVFFQRXSZARCR-CABCVRRESA-N 2 2 325.497 3.288 10 0 EGAELP C[C@H](CSCCF)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000595030613 459221697 /nfs/dbraw/zinc/22/16/97/459221697.db2.gz SVCGQLIZOSJYML-CQSZACIVSA-N 2 2 340.512 3.115 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650976 459237451 /nfs/dbraw/zinc/23/74/51/459237451.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@H+]1C ZINC000578650976 459237458 /nfs/dbraw/zinc/23/74/58/459237458.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650976 459237465 /nfs/dbraw/zinc/23/74/65/459237465.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 3 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC[NH+]1C ZINC000578650976 459237470 /nfs/dbraw/zinc/23/74/70/459237470.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 3 2 327.516 3.256 10 0 EGAELP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583173560 459494615 /nfs/dbraw/zinc/49/46/15/459494615.db2.gz FSNKEECUJVYPAD-CQSZACIVSA-N 2 2 327.819 3.100 10 0 EGAELP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583173560 459494619 /nfs/dbraw/zinc/49/46/19/459494619.db2.gz FSNKEECUJVYPAD-CQSZACIVSA-N 2 2 327.819 3.100 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000497411608 459533188 /nfs/dbraw/zinc/53/31/88/459533188.db2.gz QJRAZPHZSPKWJK-BHIYHBOVSA-N 2 2 329.488 3.235 10 0 EGAELP COCCC[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527654817 459685630 /nfs/dbraw/zinc/68/56/30/459685630.db2.gz ZAJKAJRLORGCSD-UHFFFAOYSA-N 2 2 347.322 3.101 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995871 459689666 /nfs/dbraw/zinc/68/96/66/459689666.db2.gz GWLIHAFOVKRNLY-JKSUJKDBSA-N 2 2 341.377 3.144 10 0 EGAELP c1ccc(N2CCOCC2)c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527751711 459725650 /nfs/dbraw/zinc/72/56/50/459725650.db2.gz KPRBCXXRNTZQMW-HXUWFJFHSA-N 2 2 343.515 3.020 10 0 EGAELP c1ccc(N2CCOCC2)c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527751711 459725655 /nfs/dbraw/zinc/72/56/55/459725655.db2.gz KPRBCXXRNTZQMW-HXUWFJFHSA-N 2 2 343.515 3.020 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806431 459744144 /nfs/dbraw/zinc/74/41/44/459744144.db2.gz KNCSKSACAOTOJW-SFHVURJKSA-N 2 2 340.471 3.192 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806431 459744149 /nfs/dbraw/zinc/74/41/49/459744149.db2.gz KNCSKSACAOTOJW-SFHVURJKSA-N 2 2 340.471 3.192 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527951130 459780876 /nfs/dbraw/zinc/78/08/76/459780876.db2.gz QHNSVGKGIRIYMG-LMMKCTJWSA-N 2 2 330.520 3.443 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527951130 459780880 /nfs/dbraw/zinc/78/08/80/459780880.db2.gz QHNSVGKGIRIYMG-LMMKCTJWSA-N 2 2 330.520 3.443 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584782954 459802534 /nfs/dbraw/zinc/80/25/34/459802534.db2.gz YZONEHLDFLHPGX-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584782954 459802536 /nfs/dbraw/zinc/80/25/36/459802536.db2.gz YZONEHLDFLHPGX-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593692266 459952911 /nfs/dbraw/zinc/95/29/11/459952911.db2.gz WYDHCBWUBQSNAU-QZTJIDSGSA-N 2 2 330.472 3.241 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@H]1n1cc[nH+]c1 ZINC000625260232 460093657 /nfs/dbraw/zinc/09/36/57/460093657.db2.gz BDFZSGDVEGNLMM-FZKQIMNGSA-N 2 2 340.402 3.269 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@H]1n1cc[nH+]c1 ZINC000625260232 460093664 /nfs/dbraw/zinc/09/36/64/460093664.db2.gz BDFZSGDVEGNLMM-FZKQIMNGSA-N 2 2 340.402 3.269 10 0 EGAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000598997411 460121347 /nfs/dbraw/zinc/12/13/47/460121347.db2.gz AJQZBJPCBKVWMF-HTWSVDAQSA-N 2 2 336.520 3.493 10 0 EGAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000598997411 460121355 /nfs/dbraw/zinc/12/13/55/460121355.db2.gz AJQZBJPCBKVWMF-HTWSVDAQSA-N 2 2 336.520 3.493 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000576597552 460176280 /nfs/dbraw/zinc/17/62/80/460176280.db2.gz WAYPBDJAYTYYIJ-UHFFFAOYSA-N 2 2 338.377 3.073 10 0 EGAELP c1ccc2[nH+]c(CC3CC[NH+](CCOC4CCOCC4)CC3)[nH]c2c1 ZINC000625483281 460186696 /nfs/dbraw/zinc/18/66/96/460186696.db2.gz ASNBAXSUDPZZJY-UHFFFAOYSA-N 2 2 343.471 3.013 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000600128676 460394267 /nfs/dbraw/zinc/39/42/67/460394267.db2.gz ADHYQNVEYIJTGH-DYVFJYSZSA-N 2 2 344.459 3.088 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000600128676 460394273 /nfs/dbraw/zinc/39/42/73/460394273.db2.gz ADHYQNVEYIJTGH-DYVFJYSZSA-N 2 2 344.459 3.088 10 0 EGAELP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000634555784 460418716 /nfs/dbraw/zinc/41/87/16/460418716.db2.gz VDHPBLYORWKOAY-NEPJUHHUSA-N 2 2 328.338 3.182 10 0 EGAELP Brc1ccnc2c1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000623286967 460475599 /nfs/dbraw/zinc/47/55/99/460475599.db2.gz KWCPTUZZUCEDNV-UHFFFAOYSA-N 2 2 338.293 3.078 10 0 EGAELP Brc1ccnc2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000623286967 460475604 /nfs/dbraw/zinc/47/56/04/460475604.db2.gz KWCPTUZZUCEDNV-UHFFFAOYSA-N 2 2 338.293 3.078 10 0 EGAELP C[C@@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000628772738 460538933 /nfs/dbraw/zinc/53/89/33/460538933.db2.gz IJKLBHQDZFUXBW-WMLDXEAASA-N 2 2 344.434 3.019 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000629390546 460746287 /nfs/dbraw/zinc/74/62/87/460746287.db2.gz SHMMMAGPGYDUMR-LSDHHAIUSA-N 2 2 334.261 3.227 10 0 EGAELP COCCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000629547719 460803503 /nfs/dbraw/zinc/80/35/03/460803503.db2.gz KCCOUKAVXQPPRI-MAZHCROVSA-N 2 2 341.293 3.257 10 0 EGAELP c1[nH+]cn2c1c(N1CC[C@@H](C[NH+]3CCCCC3)C1)nc1ccccc12 ZINC000624000343 460816177 /nfs/dbraw/zinc/81/61/77/460816177.db2.gz YALPQSFSEMGDNQ-INIZCTEOSA-N 2 2 335.455 3.195 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000629654983 460849397 /nfs/dbraw/zinc/84/93/97/460849397.db2.gz VGTQWOXFBQKYSH-LSDHHAIUSA-N 2 2 338.377 3.121 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2[nH+]ccn2c1 ZINC000624166116 460892587 /nfs/dbraw/zinc/89/25/87/460892587.db2.gz SOBRAPIIKBWUQF-IYBDPMFKSA-N 2 2 342.487 3.131 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2[nH+]ccn2c1 ZINC000624166116 460892594 /nfs/dbraw/zinc/89/25/94/460892594.db2.gz SOBRAPIIKBWUQF-IYBDPMFKSA-N 2 2 342.487 3.131 10 0 EGAELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628173589 461033599 /nfs/dbraw/zinc/03/35/99/461033599.db2.gz BWAUJPQBNQVMIW-LBPRGKRZSA-N 2 2 334.357 3.150 10 0 EGAELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628173589 461033600 /nfs/dbraw/zinc/03/36/00/461033600.db2.gz BWAUJPQBNQVMIW-LBPRGKRZSA-N 2 2 334.357 3.150 10 0 EGAELP C[N@H+](CCC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCCC1 ZINC000633524416 461102754 /nfs/dbraw/zinc/10/27/54/461102754.db2.gz XLACIACMGQTPFC-UHFFFAOYSA-N 2 2 340.471 3.348 10 0 EGAELP C[N@@H+](CCC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCCC1 ZINC000633524416 461102756 /nfs/dbraw/zinc/10/27/56/461102756.db2.gz XLACIACMGQTPFC-UHFFFAOYSA-N 2 2 340.471 3.348 10 0 EGAELP Cc1cc(C)c(CS(=O)(=O)Cc2cn3c(cccc3C)[nH+]2)c(C)[nH+]1 ZINC000630442393 461118805 /nfs/dbraw/zinc/11/88/05/461118805.db2.gz KZHGGQVINHEMOT-UHFFFAOYSA-N 2 2 343.452 3.078 10 0 EGAELP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257123 461146854 /nfs/dbraw/zinc/14/68/54/461146854.db2.gz APBLHCHHASLBBZ-YPMHNXCESA-N 2 2 341.282 3.434 10 0 EGAELP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257123 461146864 /nfs/dbraw/zinc/14/68/64/461146864.db2.gz APBLHCHHASLBBZ-YPMHNXCESA-N 2 2 341.282 3.434 10 0 EGAELP c1[nH]c(C2CC[NH+](Cc3nnn(-c4ccccc4)c3C3CC3)CC2)c[nH+]1 ZINC000638084972 461232361 /nfs/dbraw/zinc/23/23/61/461232361.db2.gz IPMXBEGUURHSPZ-UHFFFAOYSA-N 2 2 348.454 3.247 10 0 EGAELP c1[nH]cc(C2CC[NH+](Cc3nnn(-c4ccccc4)c3C3CC3)CC2)[nH+]1 ZINC000638084972 461232363 /nfs/dbraw/zinc/23/23/63/461232363.db2.gz IPMXBEGUURHSPZ-UHFFFAOYSA-N 2 2 348.454 3.247 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655711478 461380407 /nfs/dbraw/zinc/38/04/07/461380407.db2.gz KHELRQPXBQKBQN-UHFFFAOYSA-N 2 2 338.499 3.282 10 0 EGAELP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H](C)SC3)CCCC2)CC1 ZINC000655712513 461383203 /nfs/dbraw/zinc/38/32/03/461383203.db2.gz SRLLPJQXMKHSRM-CVEARBPZSA-N 2 2 326.550 3.284 10 0 EGAELP CC(C)CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668740653 461411139 /nfs/dbraw/zinc/41/11/39/461411139.db2.gz KYSKQBFESUASTM-FQEVSTJZSA-N 2 2 346.515 3.143 10 0 EGAELP CC(C)CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668740653 461411146 /nfs/dbraw/zinc/41/11/46/461411146.db2.gz KYSKQBFESUASTM-FQEVSTJZSA-N 2 2 346.515 3.143 10 0 EGAELP FC(F)c1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000631043957 461496967 /nfs/dbraw/zinc/49/69/67/461496967.db2.gz HUXTZBJVSWJNEE-UHFFFAOYSA-N 2 2 332.398 3.168 10 0 EGAELP Cc1scc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000631044944 461499240 /nfs/dbraw/zinc/49/92/40/461499240.db2.gz YEYQQYWYKODHIY-UHFFFAOYSA-N 2 2 330.497 3.487 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000647171475 461541157 /nfs/dbraw/zinc/54/11/57/461541157.db2.gz LIUOEKBOVGDWHA-UHFFFAOYSA-N 2 2 340.471 3.007 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(C[NH+]3CCC(C)CC3)n2)c1C ZINC000656038447 461570608 /nfs/dbraw/zinc/57/06/08/461570608.db2.gz YVRPXRLRPRLYCL-UHFFFAOYSA-N 2 2 331.464 3.138 10 0 EGAELP CC(C)c1nc2[nH]ccc2c(N2CCC(OCCC[NH+](C)C)CC2)[nH+]1 ZINC000631147719 461591230 /nfs/dbraw/zinc/59/12/30/461591230.db2.gz PYXNJINVWHIYMM-UHFFFAOYSA-N 2 2 345.491 3.018 10 0 EGAELP COc1cc2cc[nH+]c(N3CCC[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000663393290 461614503 /nfs/dbraw/zinc/61/45/03/461614503.db2.gz JAJPZYLWIITYMX-MRXNPFEDSA-N 2 2 341.455 3.317 10 0 EGAELP CC(C)c1nc2[nH]ccc2c(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000631183564 461622505 /nfs/dbraw/zinc/62/25/05/461622505.db2.gz JAKAJFNZPPAFFK-HNNXBMFYSA-N 2 2 327.476 3.249 10 0 EGAELP CO[C@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)[C@H]1CCOC1 ZINC000660451770 461787410 /nfs/dbraw/zinc/78/74/10/461787410.db2.gz GPANIOBTFFYNRF-OXJNMPFZSA-N 2 2 343.471 3.033 10 0 EGAELP Cc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000656609042 461804798 /nfs/dbraw/zinc/80/47/98/461804798.db2.gz KFQQTMZDFDYTIF-GOSISDBHSA-N 2 2 337.471 3.063 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899730 461875165 /nfs/dbraw/zinc/87/51/65/461875165.db2.gz UFIIZVAXPDKWON-JKIFEVAISA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899730 461875168 /nfs/dbraw/zinc/87/51/68/461875168.db2.gz UFIIZVAXPDKWON-JKIFEVAISA-N 2 2 335.879 3.131 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902049 461877409 /nfs/dbraw/zinc/87/74/09/461877409.db2.gz ZGBSTPVTSFFAQY-ZMSDIMECSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902049 461877417 /nfs/dbraw/zinc/87/74/17/461877417.db2.gz ZGBSTPVTSFFAQY-ZMSDIMECSA-N 2 2 349.906 3.439 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647903265 461878196 /nfs/dbraw/zinc/87/81/96/461878196.db2.gz IFCLLQRXTUZPCH-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647903265 461878203 /nfs/dbraw/zinc/87/82/03/461878203.db2.gz IFCLLQRXTUZPCH-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902743 461878560 /nfs/dbraw/zinc/87/85/60/461878560.db2.gz BPQXYLKPZVVRHK-SJLPKXTDSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902743 461878568 /nfs/dbraw/zinc/87/85/68/461878568.db2.gz BPQXYLKPZVVRHK-SJLPKXTDSA-N 2 2 341.455 3.314 10 0 EGAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659731 461910829 /nfs/dbraw/zinc/91/08/29/461910829.db2.gz QHKCMGIDVPGVBB-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659731 461910832 /nfs/dbraw/zinc/91/08/32/461910832.db2.gz QHKCMGIDVPGVBB-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659731 461910838 /nfs/dbraw/zinc/91/08/38/461910838.db2.gz QHKCMGIDVPGVBB-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000660659731 461910846 /nfs/dbraw/zinc/91/08/46/461910846.db2.gz QHKCMGIDVPGVBB-LJQANCHMSA-N 2 2 329.419 3.398 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)n1C ZINC000657326002 462048218 /nfs/dbraw/zinc/04/82/18/462048218.db2.gz QTQNBQRFKDLWNA-CQSZACIVSA-N 2 2 336.233 3.104 10 0 EGAELP c1cc(C[NH2+]Cc2ccccc2OC2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657364298 462073480 /nfs/dbraw/zinc/07/34/80/462073480.db2.gz KXRJCIIDKIPSMX-UHFFFAOYSA-N 2 2 334.423 3.488 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667501605 462116278 /nfs/dbraw/zinc/11/62/78/462116278.db2.gz CLYQKKNYBNXRCP-HNNXBMFYSA-N 2 2 344.890 3.362 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432472 462117426 /nfs/dbraw/zinc/11/74/26/462117426.db2.gz MNPDYNHSCROFKK-QMTHXVAHSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432472 462117432 /nfs/dbraw/zinc/11/74/32/462117432.db2.gz MNPDYNHSCROFKK-QMTHXVAHSA-N 2 2 327.241 3.259 10 0 EGAELP CN(c1ccccc1)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667563494 462146260 /nfs/dbraw/zinc/14/62/60/462146260.db2.gz FGPDBDCPOBLDJE-UHFFFAOYSA-N 2 2 347.466 3.368 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000657523470 462165892 /nfs/dbraw/zinc/16/58/92/462165892.db2.gz JOZZIZDGIDFZFP-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1Br ZINC000657523470 462165895 /nfs/dbraw/zinc/16/58/95/462165895.db2.gz JOZZIZDGIDFZFP-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657527342 462167481 /nfs/dbraw/zinc/16/74/81/462167481.db2.gz TVPKXHIOZFDFQH-HXUWFJFHSA-N 2 2 347.522 3.295 10 0 EGAELP Cc1cccc2[nH]c(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc21 ZINC000667602472 462168163 /nfs/dbraw/zinc/16/81/63/462168163.db2.gz AJYDYFWOQCYQEG-LJQANCHMSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1cccc2[nH]c(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc21 ZINC000667602472 462168170 /nfs/dbraw/zinc/16/81/70/462168170.db2.gz AJYDYFWOQCYQEG-LJQANCHMSA-N 2 2 340.515 3.078 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534838 462170874 /nfs/dbraw/zinc/17/08/74/462170874.db2.gz UNOGBIMOPWHUEG-JXFKEZNVSA-N 2 2 335.451 3.480 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534838 462170883 /nfs/dbraw/zinc/17/08/83/462170883.db2.gz UNOGBIMOPWHUEG-JXFKEZNVSA-N 2 2 335.451 3.480 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667618242 462176134 /nfs/dbraw/zinc/17/61/34/462176134.db2.gz QRYDAVWILPOVDE-XLIONFOSSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667618242 462176143 /nfs/dbraw/zinc/17/61/43/462176143.db2.gz QRYDAVWILPOVDE-XLIONFOSSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618242 462176147 /nfs/dbraw/zinc/17/61/47/462176147.db2.gz QRYDAVWILPOVDE-XLIONFOSSA-N 2 2 338.499 3.314 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn3c2CCC3)CC[NH+]1Cc1ccccc1 ZINC000667618242 462176156 /nfs/dbraw/zinc/17/61/56/462176156.db2.gz QRYDAVWILPOVDE-XLIONFOSSA-N 2 2 338.499 3.314 10 0 EGAELP CC(C)OCC[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000645183006 462221909 /nfs/dbraw/zinc/22/19/09/462221909.db2.gz SECGFGCKTKELLL-UHFFFAOYSA-N 2 2 331.435 3.097 10 0 EGAELP Cc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]c1C ZINC000657773240 462261305 /nfs/dbraw/zinc/26/13/05/462261305.db2.gz QCQWORAITRUBLC-IBGZPJMESA-N 2 2 338.499 3.418 10 0 EGAELP Cc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]c1C ZINC000657773240 462261312 /nfs/dbraw/zinc/26/13/12/462261312.db2.gz QCQWORAITRUBLC-IBGZPJMESA-N 2 2 338.499 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]c1C ZINC000657773240 462261318 /nfs/dbraw/zinc/26/13/18/462261318.db2.gz QCQWORAITRUBLC-IBGZPJMESA-N 2 2 338.499 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]c1C ZINC000657773240 462261322 /nfs/dbraw/zinc/26/13/22/462261322.db2.gz QCQWORAITRUBLC-IBGZPJMESA-N 2 2 338.499 3.418 10 0 EGAELP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C(F)F ZINC000657842075 462292625 /nfs/dbraw/zinc/29/26/25/462292625.db2.gz TUBLRZWVIYLFRT-CQSZACIVSA-N 2 2 326.431 3.288 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCOCC1)c1ccccc1 ZINC000667871316 462302681 /nfs/dbraw/zinc/30/26/81/462302681.db2.gz SGGLPZONJORQPS-FFZOFVMBSA-N 2 2 344.499 3.044 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699228 462307380 /nfs/dbraw/zinc/30/73/80/462307380.db2.gz LVCHORYXBSXIIP-DZGCQCFKSA-N 2 2 326.843 3.167 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651699228 462307387 /nfs/dbraw/zinc/30/73/87/462307387.db2.gz LVCHORYXBSXIIP-DZGCQCFKSA-N 2 2 326.843 3.167 10 0 EGAELP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C(F)F ZINC000657951840 462327409 /nfs/dbraw/zinc/32/74/09/462327409.db2.gz CPJCTZIWEZPVTI-JSGCOSHPSA-N 2 2 326.435 3.314 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000657979121 462335837 /nfs/dbraw/zinc/33/58/37/462335837.db2.gz PMGXSGKGNYDNLX-FFZOFVMBSA-N 2 2 334.504 3.099 10 0 EGAELP Cc1cccn2c(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)c[nH+]c12 ZINC000667948995 462340840 /nfs/dbraw/zinc/34/08/40/462340840.db2.gz URZDVEAMCPOBJS-HNNXBMFYSA-N 2 2 343.475 3.276 10 0 EGAELP Cc1cccn2c(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)c[nH+]c12 ZINC000667948995 462340844 /nfs/dbraw/zinc/34/08/44/462340844.db2.gz URZDVEAMCPOBJS-HNNXBMFYSA-N 2 2 343.475 3.276 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC3 ZINC000658055394 462359183 /nfs/dbraw/zinc/35/91/83/462359183.db2.gz IFKBENGOWZNCRM-GJZGRUSLSA-N 2 2 341.499 3.496 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC3 ZINC000658055394 462359184 /nfs/dbraw/zinc/35/91/84/462359184.db2.gz IFKBENGOWZNCRM-GJZGRUSLSA-N 2 2 341.499 3.496 10 0 EGAELP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000665251654 462368423 /nfs/dbraw/zinc/36/84/23/462368423.db2.gz VMXAECWBTVDRFM-NSISKUIASA-N 2 2 326.488 3.130 10 0 EGAELP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000665255187 462371697 /nfs/dbraw/zinc/37/16/97/462371697.db2.gz KWBLVGNKGCZLIN-VAMGGRTRSA-N 2 2 325.456 3.277 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000665255638 462371901 /nfs/dbraw/zinc/37/19/01/462371901.db2.gz YLAMFMDEJZWMAV-YSSFQJQWSA-N 2 2 325.456 3.277 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncc(C)c2)cc1F ZINC000665259808 462374342 /nfs/dbraw/zinc/37/43/42/462374342.db2.gz QOUVKIYPYLNQSS-LJHODMEESA-N 2 2 343.446 3.334 10 0 EGAELP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658296724 462462386 /nfs/dbraw/zinc/46/23/86/462462386.db2.gz VJRJBPPWZPNVOK-HOCLYGCPSA-N 2 2 338.854 3.309 10 0 EGAELP COc1cc(F)c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1OC ZINC000652222098 462478439 /nfs/dbraw/zinc/47/84/39/462478439.db2.gz FKPSOCQVJWMZIS-AWEZNQCLSA-N 2 2 326.456 3.471 10 0 EGAELP COc1cc(F)c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1OC ZINC000652222098 462478443 /nfs/dbraw/zinc/47/84/43/462478443.db2.gz FKPSOCQVJWMZIS-AWEZNQCLSA-N 2 2 326.456 3.471 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341179 462481558 /nfs/dbraw/zinc/48/15/58/462481558.db2.gz HDDRAZVQFJJGLJ-RDJZCZTQSA-N 2 2 339.474 3.072 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(C)(C)C(F)F ZINC000658341179 462481564 /nfs/dbraw/zinc/48/15/64/462481564.db2.gz HDDRAZVQFJJGLJ-RDJZCZTQSA-N 2 2 339.474 3.072 10 0 EGAELP COc1ccccc1-c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)on1 ZINC000658354624 462487448 /nfs/dbraw/zinc/48/74/48/462487448.db2.gz CBBHGYYVLQKBTO-UHFFFAOYSA-N 2 2 341.455 3.314 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000171960137 526641895 /nfs/dbraw/zinc/64/18/95/526641895.db2.gz NCWCXWCBYVZBMW-CYBMUJFWSA-N 2 2 347.260 3.173 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000171960137 526641898 /nfs/dbraw/zinc/64/18/98/526641898.db2.gz NCWCXWCBYVZBMW-CYBMUJFWSA-N 2 2 347.260 3.173 10 0 EGAELP CC(C)CN(C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000189890493 527895958 /nfs/dbraw/zinc/89/59/58/527895958.db2.gz XDWUCAPTBLMIAO-INIZCTEOSA-N 2 2 340.471 3.170 10 0 EGAELP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894203 528210457 /nfs/dbraw/zinc/21/04/57/528210457.db2.gz FCVFGMHZCRUSGS-CVEARBPZSA-N 2 2 328.460 3.218 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000163690078 546973785 /nfs/dbraw/zinc/97/37/85/546973785.db2.gz LZZHVGQGFWDEKP-LJQANCHMSA-N 2 2 332.488 3.218 10 0 EGAELP CCCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223225 547117372 /nfs/dbraw/zinc/11/73/72/547117372.db2.gz ZFBVNBKSKBTNTP-QGZVFWFLSA-N 2 2 329.444 3.345 10 0 EGAELP CCCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223225 547117379 /nfs/dbraw/zinc/11/73/79/547117379.db2.gz ZFBVNBKSKBTNTP-QGZVFWFLSA-N 2 2 329.444 3.345 10 0 EGAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCC2(F)F)CC1 ZINC000673618618 548583139 /nfs/dbraw/zinc/58/31/39/548583139.db2.gz VILYNCILPRYMSB-SFHVURJKSA-N 2 2 337.458 3.496 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCSC2(CCCCC2)C1 ZINC000674313568 548723370 /nfs/dbraw/zinc/72/33/70/548723370.db2.gz IXVGCADOPNKJFE-LJQANCHMSA-N 2 2 348.556 3.231 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCSC2(CCCCC2)C1 ZINC000674313568 548723376 /nfs/dbraw/zinc/72/33/76/548723376.db2.gz IXVGCADOPNKJFE-LJQANCHMSA-N 2 2 348.556 3.231 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000674313568 548723379 /nfs/dbraw/zinc/72/33/79/548723379.db2.gz IXVGCADOPNKJFE-LJQANCHMSA-N 2 2 348.556 3.231 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000674313568 548723382 /nfs/dbraw/zinc/72/33/82/548723382.db2.gz IXVGCADOPNKJFE-LJQANCHMSA-N 2 2 348.556 3.231 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768384 548977223 /nfs/dbraw/zinc/97/72/23/548977223.db2.gz XBIPETABUZVJBT-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768384 548977227 /nfs/dbraw/zinc/97/72/27/548977227.db2.gz XBIPETABUZVJBT-FZMZJTMJSA-N 2 2 329.257 3.203 10 0 EGAELP Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c(C)o1 ZINC000677697125 549312907 /nfs/dbraw/zinc/31/29/07/549312907.db2.gz PWMOCIDHPGGOTQ-CYBMUJFWSA-N 2 2 327.388 3.049 10 0 EGAELP Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c(C)o1 ZINC000677697125 549312909 /nfs/dbraw/zinc/31/29/09/549312909.db2.gz PWMOCIDHPGGOTQ-CYBMUJFWSA-N 2 2 327.388 3.049 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000680129104 549825630 /nfs/dbraw/zinc/82/56/30/549825630.db2.gz OKNMMQIKSCENAZ-QGZVFWFLSA-N 2 2 340.814 3.452 10 0 EGAELP CCC1(CC)C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CCS1 ZINC000680987820 549937734 /nfs/dbraw/zinc/93/77/34/549937734.db2.gz CCIBQTSCXUVEEQ-SFHVURJKSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CCS1 ZINC000680987820 549937736 /nfs/dbraw/zinc/93/77/36/549937736.db2.gz CCIBQTSCXUVEEQ-SFHVURJKSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCS1 ZINC000680987820 549937738 /nfs/dbraw/zinc/93/77/38/549937738.db2.gz CCIBQTSCXUVEEQ-SFHVURJKSA-N 2 2 336.545 3.087 10 0 EGAELP CCC1(CC)C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCS1 ZINC000680987820 549937741 /nfs/dbraw/zinc/93/77/41/549937741.db2.gz CCIBQTSCXUVEEQ-SFHVURJKSA-N 2 2 336.545 3.087 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537447 550112273 /nfs/dbraw/zinc/11/22/73/550112273.db2.gz SSXHDSKHXCPSKX-CVEARBPZSA-N 2 2 344.421 3.142 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537447 550112274 /nfs/dbraw/zinc/11/22/74/550112274.db2.gz SSXHDSKHXCPSKX-CVEARBPZSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537447 550112275 /nfs/dbraw/zinc/11/22/75/550112275.db2.gz SSXHDSKHXCPSKX-CVEARBPZSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000682537447 550112277 /nfs/dbraw/zinc/11/22/77/550112277.db2.gz SSXHDSKHXCPSKX-CVEARBPZSA-N 2 2 344.421 3.142 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccco1 ZINC000738951707 576370289 /nfs/dbraw/zinc/37/02/89/576370289.db2.gz ZMMFUTFYHPJZNZ-OAHLLOKOSA-N 2 2 341.415 3.132 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000741791546 576722054 /nfs/dbraw/zinc/72/20/54/576722054.db2.gz WVWLKPDJWZCLTD-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000741791546 576722055 /nfs/dbraw/zinc/72/20/55/576722055.db2.gz WVWLKPDJWZCLTD-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791546 576722056 /nfs/dbraw/zinc/72/20/56/576722056.db2.gz WVWLKPDJWZCLTD-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000741791546 576722057 /nfs/dbraw/zinc/72/20/57/576722057.db2.gz WVWLKPDJWZCLTD-UHOFOFEASA-N 2 2 330.394 3.153 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccccc1 ZINC000742386745 576777851 /nfs/dbraw/zinc/77/78/51/576777851.db2.gz AKVMUGPHZJPYNQ-SFHVURJKSA-N 2 2 331.423 3.141 10 0 EGAELP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000048890875 1291622536 /nfs/dbraw/zinc/62/25/36/1291622536.db2.gz DRZNHRQYPXDGMC-QGZVFWFLSA-N 2 2 333.273 3.451 10 0 EGAELP C[N@H+](Cc1ccc(Br)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000048890875 1291622541 /nfs/dbraw/zinc/62/25/41/1291622541.db2.gz DRZNHRQYPXDGMC-QGZVFWFLSA-N 2 2 333.273 3.451 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)c1Cl ZINC000067222915 1292154357 /nfs/dbraw/zinc/15/43/57/1292154357.db2.gz IFGQQVZKUZNVAN-HNNXBMFYSA-N 2 2 326.916 3.467 10 0 EGAELP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)c1Cl ZINC000067222915 1292154363 /nfs/dbraw/zinc/15/43/63/1292154363.db2.gz IFGQQVZKUZNVAN-HNNXBMFYSA-N 2 2 326.916 3.467 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000870979638 1296164550 /nfs/dbraw/zinc/16/45/50/1296164550.db2.gz QTYPTZGHTXWOKX-RTBURBONSA-N 2 2 337.467 3.016 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000870979638 1296164554 /nfs/dbraw/zinc/16/45/54/1296164554.db2.gz QTYPTZGHTXWOKX-RTBURBONSA-N 2 2 337.467 3.016 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131037 1296755217 /nfs/dbraw/zinc/75/52/17/1296755217.db2.gz VKMFCPYZHJAVDX-DOMZBBRYSA-N 2 2 343.393 3.004 10 0 EGAELP c1[nH+]cn2ccnc(N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c12 ZINC000893967313 1306154203 /nfs/dbraw/zinc/15/42/03/1306154203.db2.gz FFUNSPVMCQRSPW-UHFFFAOYSA-N 2 2 347.466 3.222 10 0 EGAELP Cc1coc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000894076299 1306203727 /nfs/dbraw/zinc/20/37/27/1306203727.db2.gz QKJQSNVSNCGCPN-UHFFFAOYSA-N 3 2 333.520 3.216 10 0 EGAELP Cc1coc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000894076299 1306203733 /nfs/dbraw/zinc/20/37/33/1306203733.db2.gz QKJQSNVSNCGCPN-UHFFFAOYSA-N 3 2 333.520 3.216 10 0 EGAELP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783395 1309069731 /nfs/dbraw/zinc/06/97/31/1309069731.db2.gz SZUBALMNONPXJR-DZGCQCFKSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783395 1309069736 /nfs/dbraw/zinc/06/97/36/1309069736.db2.gz SZUBALMNONPXJR-DZGCQCFKSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783395 1309069746 /nfs/dbraw/zinc/06/97/46/1309069746.db2.gz SZUBALMNONPXJR-DZGCQCFKSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783395 1309069754 /nfs/dbraw/zinc/06/97/54/1309069754.db2.gz SZUBALMNONPXJR-DZGCQCFKSA-N 2 2 338.517 3.475 10 0 EGAELP CCO[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1SC ZINC000895111151 1309194746 /nfs/dbraw/zinc/19/47/46/1309194746.db2.gz AAFCGPBXSOOTLQ-XSDHEKCYSA-N 2 2 335.517 3.067 10 0 EGAELP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccnc1F ZINC000895792425 1309523215 /nfs/dbraw/zinc/52/32/15/1309523215.db2.gz JHJLKVFESUYNKF-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccnc1F ZINC000895792425 1309523218 /nfs/dbraw/zinc/52/32/18/1309523218.db2.gz JHJLKVFESUYNKF-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccnc1F ZINC000895792425 1309523219 /nfs/dbraw/zinc/52/32/19/1309523219.db2.gz JHJLKVFESUYNKF-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccnc1F ZINC000895792425 1309523221 /nfs/dbraw/zinc/52/32/21/1309523221.db2.gz JHJLKVFESUYNKF-VQTJNVASSA-N 2 2 339.458 3.483 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)C[NH+](C)C ZINC000926960917 1327798490 /nfs/dbraw/zinc/79/84/90/1327798490.db2.gz HPZVRCPUIXPIJB-SWLSCSKDSA-N 2 2 329.282 3.066 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763238 1328692458 /nfs/dbraw/zinc/69/24/58/1328692458.db2.gz MFDRYVWGMWRBQW-ARFHVFGLSA-N 2 2 334.426 3.150 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763238 1328692462 /nfs/dbraw/zinc/69/24/62/1328692462.db2.gz MFDRYVWGMWRBQW-ARFHVFGLSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763238 1328692469 /nfs/dbraw/zinc/69/24/69/1328692469.db2.gz MFDRYVWGMWRBQW-ARFHVFGLSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763238 1328692499 /nfs/dbraw/zinc/69/24/99/1328692499.db2.gz MFDRYVWGMWRBQW-ARFHVFGLSA-N 2 2 334.426 3.150 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000929803436 1328705264 /nfs/dbraw/zinc/70/52/64/1328705264.db2.gz HZIIOBDSGBIOSN-UHFFFAOYSA-N 2 2 333.476 3.491 10 0 EGAELP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cnc1Br ZINC000929804895 1328705332 /nfs/dbraw/zinc/70/53/32/1328705332.db2.gz ZIJRLNQMXZTFAX-UHFFFAOYSA-N 2 2 335.249 3.255 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC000921588210 1322359145 /nfs/dbraw/zinc/35/91/45/1322359145.db2.gz GALLNELCWPGFHM-IXDOHACOSA-N 2 2 329.419 3.306 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000922956201 1322661478 /nfs/dbraw/zinc/66/14/78/1322661478.db2.gz QRDDIYHEHFZZBN-FNEOHHHZSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000922956201 1322661485 /nfs/dbraw/zinc/66/14/85/1322661485.db2.gz QRDDIYHEHFZZBN-FNEOHHHZSA-N 2 2 328.500 3.468 10 0 EGAELP CCc1onc(C)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000922983650 1322668945 /nfs/dbraw/zinc/66/89/45/1322668945.db2.gz NMHMXJQCMMBEIH-UHFFFAOYSA-N 2 2 345.462 3.481 10 0 EGAELP Cc1nn(C)cc1C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931225111 1329074897 /nfs/dbraw/zinc/07/48/97/1329074897.db2.gz QESYXRSYCICVGV-SFTDATJTSA-N 2 2 338.499 3.073 10 0 EGAELP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)n(C)n1 ZINC000924925599 1323216013 /nfs/dbraw/zinc/21/60/13/1323216013.db2.gz HZGWENDIIXYNKJ-MJGOQNOKSA-N 2 2 341.503 3.317 10 0 EGAELP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924952006 1323225190 /nfs/dbraw/zinc/22/51/90/1323225190.db2.gz MMKCMIGJPHXQAX-DLBZAZTESA-N 2 2 339.474 3.030 10 0 EGAELP C[C@@H]1CC2(CC([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)CO1 ZINC000925149229 1325066562 /nfs/dbraw/zinc/06/65/62/1325066562.db2.gz OPBWKBDDNDUAHS-SRWJYRBRSA-N 2 2 343.515 3.269 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000925184550 1325075483 /nfs/dbraw/zinc/07/54/83/1325075483.db2.gz RBOFBSLJRSIBST-NEPJUHHUSA-N 2 2 333.423 3.311 10 0 EGAELP FC(F)(F)c1csc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000925184550 1325075489 /nfs/dbraw/zinc/07/54/89/1325075489.db2.gz RBOFBSLJRSIBST-NEPJUHHUSA-N 2 2 333.423 3.311 10 0 EGAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925561677 1325210981 /nfs/dbraw/zinc/21/09/81/1325210981.db2.gz RWSDWCISKWJJKK-OKZBNKHCSA-N 2 2 349.906 3.080 10 0 EGAELP CC1(C)[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716829 1325268204 /nfs/dbraw/zinc/26/82/04/1325268204.db2.gz QRBPKXBXBOSDRF-FPAYPSAMSA-N 2 2 336.483 3.226 10 0 EGAELP CC1(C)[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716830 1325268899 /nfs/dbraw/zinc/26/88/99/1325268899.db2.gz QRBPKXBXBOSDRF-KCITZHQASA-N 2 2 336.483 3.226 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766088 1325290693 /nfs/dbraw/zinc/29/06/93/1325290693.db2.gz GKGDZILFQYGUGG-JRGCBEDISA-N 2 2 336.483 3.054 10 0 EGAELP Nc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766088 1325290699 /nfs/dbraw/zinc/29/06/99/1325290699.db2.gz GKGDZILFQYGUGG-JRGCBEDISA-N 2 2 336.483 3.054 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225928 1325481859 /nfs/dbraw/zinc/48/18/59/1325481859.db2.gz ZMEGVCDSSURJQP-JXFKEZNVSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225928 1325481862 /nfs/dbraw/zinc/48/18/62/1325481862.db2.gz ZMEGVCDSSURJQP-JXFKEZNVSA-N 2 2 325.456 3.493 10 0 EGAELP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](Cc1ccccc1)Cc1cccnc1)CC2 ZINC000926230037 1325484766 /nfs/dbraw/zinc/48/47/66/1325484766.db2.gz QNNIJZLOFITEOX-WOJBJXKFSA-N 2 2 332.451 3.037 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324242 1325516488 /nfs/dbraw/zinc/51/64/88/1325516488.db2.gz DEFOSTFQMKVCAQ-MJGOQNOKSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324242 1325516496 /nfs/dbraw/zinc/51/64/96/1325516496.db2.gz DEFOSTFQMKVCAQ-MJGOQNOKSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926961242 1327798829 /nfs/dbraw/zinc/79/88/29/1327798829.db2.gz XQHJLPKLNKHINK-CJNGLKHVSA-N 2 2 340.393 3.406 10 0 EGAELP Cc1c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccnc1F ZINC000862281966 1329473613 /nfs/dbraw/zinc/47/36/13/1329473613.db2.gz BAFRFLJIPZUXKW-UHFFFAOYSA-N 2 2 342.462 3.354 10 0 EGAELP C[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000865433996 1329696783 /nfs/dbraw/zinc/69/67/83/1329696783.db2.gz SHXGMFPADXRFHT-NSHDSACASA-N 2 2 331.313 3.347 10 0 EGAELP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1Br ZINC000865573234 1329714984 /nfs/dbraw/zinc/71/49/84/1329714984.db2.gz DFSURJFJUSANQM-ZDUSSCGKSA-N 2 2 334.261 3.436 10 0 EGAELP Fc1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)ccc1-n1cc[nH+]c1 ZINC000865761158 1329736078 /nfs/dbraw/zinc/73/60/78/1329736078.db2.gz KKJUECCKSXYBTO-QFBILLFUSA-N 2 2 329.419 3.306 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000865783480 1329738125 /nfs/dbraw/zinc/73/81/25/1329738125.db2.gz OCQKPUMHLOVXBI-HOCLYGCPSA-N 2 2 334.426 3.056 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866225487 1330080634 /nfs/dbraw/zinc/08/06/34/1330080634.db2.gz ZTGUZXDIXOQYJU-WOJBJXKFSA-N 2 2 325.456 3.369 10 0 EGAELP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866236531 1330082601 /nfs/dbraw/zinc/08/26/01/1330082601.db2.gz DHTDRFIMGTURMV-QUCCMNQESA-N 2 2 344.430 3.188 10 0 EGAELP CC(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001324757497 1387760955 /nfs/dbraw/zinc/76/09/55/1387760955.db2.gz KPRSWAPYKQXBQP-FQEVSTJZSA-N 2 2 342.487 3.212 10 0 EGAELP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197265351 1368775206 /nfs/dbraw/zinc/77/52/06/1368775206.db2.gz QPIKFSQHPAEYRJ-PMACEKPBSA-N 2 2 339.414 3.395 10 0 EGAELP c1cc2ccc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC001199220306 1369193209 /nfs/dbraw/zinc/19/32/09/1369193209.db2.gz ZYXFATKHDKVPBP-UHFFFAOYSA-N 2 2 348.494 3.470 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917728 1388080828 /nfs/dbraw/zinc/08/08/28/1388080828.db2.gz MQFOKPRDEULGFK-RAEMOODJSA-N 2 2 344.503 3.085 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325917728 1388080834 /nfs/dbraw/zinc/08/08/34/1388080834.db2.gz MQFOKPRDEULGFK-RAEMOODJSA-N 2 2 344.503 3.085 10 0 EGAELP Nc1cc[nH+]c2c1C[N@H+](CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC001119824397 1371410073 /nfs/dbraw/zinc/41/00/73/1371410073.db2.gz OEBFHOCDIAKSKE-UHFFFAOYSA-N 2 2 337.345 3.163 10 0 EGAELP Nc1cc[nH+]c2c1C[N@@H+](CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC001119824397 1371410078 /nfs/dbraw/zinc/41/00/78/1371410078.db2.gz OEBFHOCDIAKSKE-UHFFFAOYSA-N 2 2 337.345 3.163 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001326305867 1388148513 /nfs/dbraw/zinc/14/85/13/1388148513.db2.gz VKJDZAUBKWOOLT-HNNXBMFYSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001327143622 1388400874 /nfs/dbraw/zinc/40/08/74/1388400874.db2.gz UKULKSCMDDTPIY-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001327143622 1388400881 /nfs/dbraw/zinc/40/08/81/1388400881.db2.gz UKULKSCMDDTPIY-QGZVFWFLSA-N 2 2 342.487 3.355 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155668 1388409924 /nfs/dbraw/zinc/40/99/24/1388409924.db2.gz HILXAYYBBOIZLT-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001327155668 1388409928 /nfs/dbraw/zinc/40/99/28/1388409928.db2.gz HILXAYYBBOIZLT-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266099671 1377185231 /nfs/dbraw/zinc/18/52/31/1377185231.db2.gz KHMBUVOXMFKIIV-GOSISDBHSA-N 2 2 340.471 3.145 10 0 EGAELP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266099671 1377185232 /nfs/dbraw/zinc/18/52/32/1377185232.db2.gz KHMBUVOXMFKIIV-GOSISDBHSA-N 2 2 340.471 3.145 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001266103777 1377188020 /nfs/dbraw/zinc/18/80/20/1377188020.db2.gz XMLUZHIMMVUFMW-ZWKOTPCHSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001266103777 1377188021 /nfs/dbraw/zinc/18/80/21/1377188021.db2.gz XMLUZHIMMVUFMW-ZWKOTPCHSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001268963950 1377534170 /nfs/dbraw/zinc/53/41/70/1377534170.db2.gz AUDTZSWVTCFJAF-QGZVFWFLSA-N 2 2 342.487 3.206 10 0 EGAELP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001283997958 1379352363 /nfs/dbraw/zinc/35/23/63/1379352363.db2.gz FJLJLBVHHLPLPM-WMZOPIPTSA-N 2 2 340.471 3.111 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284060163 1379413509 /nfs/dbraw/zinc/41/35/09/1379413509.db2.gz ZZYXNMPKNZOHSI-XLIONFOSSA-N 2 2 346.519 3.046 10 0 EGAELP CCCCCC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284060163 1379413514 /nfs/dbraw/zinc/41/35/14/1379413514.db2.gz ZZYXNMPKNZOHSI-XLIONFOSSA-N 2 2 346.519 3.046 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196938 1379590322 /nfs/dbraw/zinc/59/03/22/1379590322.db2.gz OJIIBGNDZKULAH-IRXDYDNUSA-N 2 2 342.487 3.259 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097671 1388669439 /nfs/dbraw/zinc/66/94/39/1388669439.db2.gz HRJKLCSIWXJFAO-CRAIPNDOSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328097671 1388669442 /nfs/dbraw/zinc/66/94/42/1388669442.db2.gz HRJKLCSIWXJFAO-CRAIPNDOSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097671 1388669444 /nfs/dbraw/zinc/66/94/44/1388669444.db2.gz HRJKLCSIWXJFAO-CRAIPNDOSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328097671 1388669446 /nfs/dbraw/zinc/66/94/46/1388669446.db2.gz HRJKLCSIWXJFAO-CRAIPNDOSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328329980 1388724270 /nfs/dbraw/zinc/72/42/70/1388724270.db2.gz PXTVFSVQPGYFTD-FRRDWIJNSA-N 2 2 332.354 3.196 10 0 EGAELP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1cccc3ccccc31)CC2 ZINC001308015368 1384075472 /nfs/dbraw/zinc/07/54/72/1384075472.db2.gz DXILFYZEVULPCF-UHFFFAOYSA-N 2 2 346.434 3.204 10 0 EGAELP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)CC2 ZINC001308015368 1384075473 /nfs/dbraw/zinc/07/54/73/1384075473.db2.gz DXILFYZEVULPCF-UHFFFAOYSA-N 2 2 346.434 3.204 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317221109 1385001654 /nfs/dbraw/zinc/00/16/54/1385001654.db2.gz VWHXDZRJBHJFEH-UHFFFAOYSA-N 2 2 334.508 3.104 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317354022 1385101550 /nfs/dbraw/zinc/10/15/50/1385101550.db2.gz BCQWQKOHDAJMGR-ROUUACIJSA-N 2 2 347.503 3.086 10 0 EGAELP COc1cc[nH+]cc1CC(=O)NCC[N@H+](C)CCC1CCCCCC1 ZINC001317449869 1385149856 /nfs/dbraw/zinc/14/98/56/1385149856.db2.gz ZLIXUZQIUVPLNO-UHFFFAOYSA-N 2 2 347.503 3.041 10 0 EGAELP COc1cc[nH+]cc1CC(=O)NCC[N@@H+](C)CCC1CCCCCC1 ZINC001317449869 1385149861 /nfs/dbraw/zinc/14/98/61/1385149861.db2.gz ZLIXUZQIUVPLNO-UHFFFAOYSA-N 2 2 347.503 3.041 10 0 EGAELP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCC1CCCCC1 ZINC001317482516 1385179629 /nfs/dbraw/zinc/17/96/29/1385179629.db2.gz USCZDDFAYFAOFC-UHFFFAOYSA-N 2 2 348.535 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CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC001317707687 1385410053 /nfs/dbraw/zinc/41/00/53/1385410053.db2.gz SDRCKHVGCJIZBE-UHFFFAOYSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC001317707687 1385410054 /nfs/dbraw/zinc/41/00/54/1385410054.db2.gz SDRCKHVGCJIZBE-UHFFFAOYSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317789663 1385482568 /nfs/dbraw/zinc/48/25/68/1385482568.db2.gz PXWNEFNAIDVMAR-GOSISDBHSA-N 2 2 348.535 3.191 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317789663 1385482572 /nfs/dbraw/zinc/48/25/72/1385482572.db2.gz PXWNEFNAIDVMAR-GOSISDBHSA-N 2 2 348.535 3.191 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841318 1385527271 /nfs/dbraw/zinc/52/72/71/1385527271.db2.gz BNPXNYJQOMZYEI-AWFCHZOYSA-N 2 2 340.471 3.313 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317841318 1385527273 /nfs/dbraw/zinc/52/72/73/1385527273.db2.gz BNPXNYJQOMZYEI-AWFCHZOYSA-N 2 2 340.471 3.313 10 0 EGAELP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001176879131 1385729507 /nfs/dbraw/zinc/72/95/07/1385729507.db2.gz CRVHREUSCBAUFR-UHFFFAOYSA-N 2 2 340.870 3.292 10 0 EGAELP CC(C)(C)CCC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001698630358 1406273548 /nfs/dbraw/zinc/27/35/48/1406273548.db2.gz QGUUGRKZXXZQQC-UHFFFAOYSA-N 2 2 334.508 3.187 10 0 EGAELP CC(C)(C)CCC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001698630358 1406273552 /nfs/dbraw/zinc/27/35/52/1406273552.db2.gz QGUUGRKZXXZQQC-UHFFFAOYSA-N 2 2 334.508 3.187 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001322183005 1387092048 /nfs/dbraw/zinc/09/20/48/1387092048.db2.gz KXXKYKOEWMABIR-IIIMJFFVSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001322183005 1387092054 /nfs/dbraw/zinc/09/20/54/1387092054.db2.gz KXXKYKOEWMABIR-IIIMJFFVSA-N 2 2 348.535 3.189 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210911 1387104330 /nfs/dbraw/zinc/10/43/30/1387104330.db2.gz QHSKSTUNMVTHIP-OSJSJHBBSA-N 2 2 340.471 3.279 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322210911 1387104333 /nfs/dbraw/zinc/10/43/33/1387104333.db2.gz QHSKSTUNMVTHIP-OSJSJHBBSA-N 2 2 340.471 3.279 10 0 EGAELP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001698711705 1406353749 /nfs/dbraw/zinc/35/37/49/1406353749.db2.gz NFSJBKNTQDUPIM-ULQDDVLXSA-N 2 2 335.467 3.386 10 0 EGAELP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329888749 1389246987 /nfs/dbraw/zinc/24/69/87/1389246987.db2.gz YLAHHXOLUNVEQU-SJORKVTESA-N 2 2 348.535 3.146 10 0 EGAELP FC(F)Oc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001338307460 1389628635 /nfs/dbraw/zinc/62/86/35/1389628635.db2.gz DKXOBQIZPDUGRS-UHFFFAOYSA-N 2 2 340.414 3.021 10 0 EGAELP 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ZINC001332271549 1390072054 /nfs/dbraw/zinc/07/20/54/1390072054.db2.gz KLWBUVIRDNPJEM-ROUUACIJSA-N 2 2 344.503 3.107 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332271549 1390072056 /nfs/dbraw/zinc/07/20/56/1390072056.db2.gz KLWBUVIRDNPJEM-ROUUACIJSA-N 2 2 344.503 3.107 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059506 1390636419 /nfs/dbraw/zinc/63/64/19/1390636419.db2.gz GZMZVGYXYBATQP-VJRVKHOTSA-N 2 2 332.532 3.434 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059506 1390636421 /nfs/dbraw/zinc/63/64/21/1390636421.db2.gz GZMZVGYXYBATQP-VJRVKHOTSA-N 2 2 332.532 3.434 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059506 1390636423 /nfs/dbraw/zinc/63/64/23/1390636423.db2.gz GZMZVGYXYBATQP-VJRVKHOTSA-N 2 2 332.532 3.434 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059506 1390636426 /nfs/dbraw/zinc/63/64/26/1390636426.db2.gz GZMZVGYXYBATQP-VJRVKHOTSA-N 2 2 332.532 3.434 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC001335266679 1390661983 /nfs/dbraw/zinc/66/19/83/1390661983.db2.gz HABIIWJZJHFFHO-FXAWDEMLSA-N 2 2 329.488 3.056 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001353344484 1391993203 /nfs/dbraw/zinc/99/32/03/1391993203.db2.gz FKKVGQPPXIXNCM-IXDOHACOSA-N 2 2 346.519 3.074 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[N@H+]1C ZINC001353344484 1391993206 /nfs/dbraw/zinc/99/32/06/1391993206.db2.gz FKKVGQPPXIXNCM-IXDOHACOSA-N 2 2 346.519 3.074 10 0 EGAELP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001698849954 1406552107 /nfs/dbraw/zinc/55/21/07/1406552107.db2.gz ACVIZRVDJUHSCF-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001479739311 1392352622 /nfs/dbraw/zinc/35/26/22/1392352622.db2.gz UWUCWLCPSOCDDO-SFHVURJKSA-N 2 2 346.519 3.154 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001479739311 1392352627 /nfs/dbraw/zinc/35/26/27/1392352627.db2.gz UWUCWLCPSOCDDO-SFHVURJKSA-N 2 2 346.519 3.154 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001479809261 1392404000 /nfs/dbraw/zinc/40/40/00/1392404000.db2.gz ACDVMAYIUXKHRE-AWEZNQCLSA-N 2 2 348.878 3.113 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001479809261 1392404003 /nfs/dbraw/zinc/40/40/03/1392404003.db2.gz ACDVMAYIUXKHRE-AWEZNQCLSA-N 2 2 348.878 3.113 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001481044847 1393104561 /nfs/dbraw/zinc/10/45/61/1393104561.db2.gz DUTXVRFODQMDTB-ZEVQVBBLSA-N 2 2 346.519 3.254 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001481044847 1393104562 /nfs/dbraw/zinc/10/45/62/1393104562.db2.gz DUTXVRFODQMDTB-ZEVQVBBLSA-N 2 2 346.519 3.254 10 0 EGAELP CCC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CCC(C)C ZINC001481136420 1393130249 /nfs/dbraw/zinc/13/02/49/1393130249.db2.gz CPSGOVQJKSVTTD-UHFFFAOYSA-N 2 2 330.476 3.131 10 0 EGAELP CCC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CCC(C)C ZINC001481136420 1393130256 /nfs/dbraw/zinc/13/02/56/1393130256.db2.gz CPSGOVQJKSVTTD-UHFFFAOYSA-N 2 2 330.476 3.131 10 0 EGAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001698900254 1406633163 /nfs/dbraw/zinc/63/31/63/1406633163.db2.gz HVBRISWLXWTLQI-ZWKOTPCHSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001698900253 1406633237 /nfs/dbraw/zinc/63/32/37/1406633237.db2.gz HVBRISWLXWTLQI-ROUUACIJSA-N 2 2 348.535 3.316 10 0 EGAELP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490778449 1394343362 /nfs/dbraw/zinc/34/33/62/1394343362.db2.gz XVCAJQVZFAPNDW-YSKLNCTFSA-N 2 2 346.519 3.361 10 0 EGAELP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490778449 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348.535 3.150 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482338958 1394907305 /nfs/dbraw/zinc/90/73/05/1394907305.db2.gz QZUICADRHHQMSO-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001482354940 1394917914 /nfs/dbraw/zinc/91/79/14/1394917914.db2.gz VPMGVJIOKKDZDI-JKSUJKDBSA-N 2 2 342.487 3.193 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466391 1395404226 /nfs/dbraw/zinc/40/42/26/1395404226.db2.gz SYXKQZBEWNWHOV-CQQBRXBZSA-N 2 2 344.503 3.072 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001484466391 1395404227 /nfs/dbraw/zinc/40/42/27/1395404227.db2.gz SYXKQZBEWNWHOV-CQQBRXBZSA-N 2 2 344.503 3.072 10 0 EGAELP CCC1([NH2+]CCCC(C)C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001484819460 1395553402 /nfs/dbraw/zinc/55/34/02/1395553402.db2.gz PWFXMYWBICIUJI-UHFFFAOYSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001485576372 1396046821 /nfs/dbraw/zinc/04/68/21/1396046821.db2.gz AGYBYQJVVRTVTK-SJORKVTESA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001485576372 1396046829 /nfs/dbraw/zinc/04/68/29/1396046829.db2.gz AGYBYQJVVRTVTK-SJORKVTESA-N 2 2 334.508 3.097 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486085739 1396176368 /nfs/dbraw/zinc/17/63/68/1396176368.db2.gz WARDLBIVFAOBBD-YMEQAZQUSA-N 2 2 326.444 3.112 10 0 EGAELP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001497485920 1396765360 /nfs/dbraw/zinc/76/53/60/1396765360.db2.gz HEFHHFWLOUEVJT-INIZCTEOSA-N 2 2 342.487 3.195 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690135598 1404331708 /nfs/dbraw/zinc/33/17/08/1404331708.db2.gz MLJJVNQJTSLLTJ-KBAYOESNSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690135598 1404331712 /nfs/dbraw/zinc/33/17/12/1404331712.db2.gz MLJJVNQJTSLLTJ-KBAYOESNSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690137090 1404335567 /nfs/dbraw/zinc/33/55/67/1404335567.db2.gz ZWQZSRRFTUFZRD-SJORKVTESA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690137090 1404335570 /nfs/dbraw/zinc/33/55/70/1404335570.db2.gz ZWQZSRRFTUFZRD-SJORKVTESA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001690137088 1404335635 /nfs/dbraw/zinc/33/56/35/1404335635.db2.gz ZWQZSRRFTUFZRD-IRXDYDNUSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001690137088 1404335639 /nfs/dbraw/zinc/33/56/39/1404335639.db2.gz ZWQZSRRFTUFZRD-IRXDYDNUSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390515 1404528446 /nfs/dbraw/zinc/52/84/46/1404528446.db2.gz QIHMTYICXVKSSI-PKOBYXMFSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001690390515 1404528450 /nfs/dbraw/zinc/52/84/50/1404528450.db2.gz QIHMTYICXVKSSI-PKOBYXMFSA-N 2 2 344.503 3.163 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390537 1404528493 /nfs/dbraw/zinc/52/84/93/1404528493.db2.gz QZEWQGQZIMYGLV-IAGOWNOFSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390537 1404528494 /nfs/dbraw/zinc/52/84/94/1404528494.db2.gz QZEWQGQZIMYGLV-IAGOWNOFSA-N 2 2 334.508 3.099 10 0 EGAELP CC(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001691300183 1405196478 /nfs/dbraw/zinc/19/64/78/1405196478.db2.gz BJXFTNMFSNOPKL-QZTJIDSGSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691818994 1405535351 /nfs/dbraw/zinc/53/53/51/1405535351.db2.gz NUZFTRJLCGKHED-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691818994 1405535355 /nfs/dbraw/zinc/53/53/55/1405535355.db2.gz NUZFTRJLCGKHED-MRXNPFEDSA-N 2 2 348.535 3.385 10 0 EGAELP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968760 1405684928 /nfs/dbraw/zinc/68/49/28/1405684928.db2.gz OVGMDIWQQLYMSU-MRXNPFEDSA-N 2 2 342.487 3.164 10 0 EGAELP C[N@@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968760 1405684929 /nfs/dbraw/zinc/68/49/29/1405684929.db2.gz OVGMDIWQQLYMSU-MRXNPFEDSA-N 2 2 342.487 3.164 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001692087509 1405766825 /nfs/dbraw/zinc/76/68/25/1405766825.db2.gz GHUFKZOMILHBIA-PXSPORJXSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001692087509 1405766827 /nfs/dbraw/zinc/76/68/27/1405766827.db2.gz GHUFKZOMILHBIA-PXSPORJXSA-N 2 2 346.519 3.161 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692321347 1405939594 /nfs/dbraw/zinc/93/95/94/1405939594.db2.gz ATCPDOZPLNZQNQ-GOSISDBHSA-N 2 2 334.508 3.139 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692321347 1405939595 /nfs/dbraw/zinc/93/95/95/1405939595.db2.gz ATCPDOZPLNZQNQ-GOSISDBHSA-N 2 2 334.508 3.139 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C/C=C\Cl)C1)c1ccccc1 ZINC001732090814 1428356470 /nfs/dbraw/zinc/35/64/70/1428356470.db2.gz FOTYINOJSXALEM-JIMNIMLASA-N 2 2 349.906 3.013 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C/C=C\Cl)C1)c1ccccc1 ZINC001732090814 1428356473 /nfs/dbraw/zinc/35/64/73/1428356473.db2.gz FOTYINOJSXALEM-JIMNIMLASA-N 2 2 349.906 3.013 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)C1)c1ccccc1 ZINC001732090814 1428356476 /nfs/dbraw/zinc/35/64/76/1428356476.db2.gz FOTYINOJSXALEM-JIMNIMLASA-N 2 2 349.906 3.013 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)C1)c1ccccc1 ZINC001732090814 1428356479 /nfs/dbraw/zinc/35/64/79/1428356479.db2.gz FOTYINOJSXALEM-JIMNIMLASA-N 2 2 349.906 3.013 10 0 EGAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732183307 1428431841 /nfs/dbraw/zinc/43/18/41/1428431841.db2.gz WRIJFHJHCXWQAN-GVDBMIGSSA-N 2 2 346.519 3.262 10 0 EGAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001732183307 1428431844 /nfs/dbraw/zinc/43/18/44/1428431844.db2.gz WRIJFHJHCXWQAN-GVDBMIGSSA-N 2 2 346.519 3.262 10 0 EGAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732183307 1428431846 /nfs/dbraw/zinc/43/18/46/1428431846.db2.gz WRIJFHJHCXWQAN-GVDBMIGSSA-N 2 2 346.519 3.262 10 0 EGAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001732183307 1428431850 /nfs/dbraw/zinc/43/18/50/1428431850.db2.gz WRIJFHJHCXWQAN-GVDBMIGSSA-N 2 2 346.519 3.262 10 0 EGAELP CC(C)(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001732289560 1428515848 /nfs/dbraw/zinc/51/58/48/1428515848.db2.gz YLLWVYAIOLDBIR-SFHVURJKSA-N 2 2 348.535 3.318 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001732392623 1428561226 /nfs/dbraw/zinc/56/12/26/1428561226.db2.gz XXUGZNNWVUZAKC-UHFFFAOYSA-N 2 2 326.444 3.161 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001732422537 1428574800 /nfs/dbraw/zinc/57/48/00/1428574800.db2.gz HDEUMERNEXJFDR-NVXWUHKLSA-N 2 2 348.516 3.169 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001732465687 1428596042 /nfs/dbraw/zinc/59/60/42/1428596042.db2.gz DSUOGOWVXARRDC-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699674256 1413066444 /nfs/dbraw/zinc/06/64/44/1413066444.db2.gz VCRXQFBMTINVNC-ROUUACIJSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699674256 1413066447 /nfs/dbraw/zinc/06/64/47/1413066447.db2.gz VCRXQFBMTINVNC-ROUUACIJSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700072091 1413486704 /nfs/dbraw/zinc/48/67/04/1413486704.db2.gz OPAAUJWQRDPZOK-GOSISDBHSA-N 2 2 329.488 3.415 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[N@@H+](C)CCC(C)(C)C)CC1 ZINC001732550627 1428732513 /nfs/dbraw/zinc/73/25/13/1428732513.db2.gz AKYYQLZZIAUJCC-UHFFFAOYSA-N 2 2 348.535 3.257 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[N@H+](C)CCC(C)(C)C)CC1 ZINC001732550627 1428732517 /nfs/dbraw/zinc/73/25/17/1428732517.db2.gz AKYYQLZZIAUJCC-UHFFFAOYSA-N 2 2 348.535 3.257 10 0 EGAELP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001700101919 1413519575 /nfs/dbraw/zinc/51/95/75/1413519575.db2.gz XHTNMEPQMQSZJD-DZKIICNBSA-N 2 2 346.450 3.189 10 0 EGAELP CCC1([NH2+]CCC(C)C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001700220313 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CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361072 1429545433 /nfs/dbraw/zinc/54/54/33/1429545433.db2.gz KPUHCNZQLVBVBT-JTGQJZMRSA-N 2 2 346.519 3.305 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733424376 1429631927 /nfs/dbraw/zinc/63/19/27/1429631927.db2.gz CHVYDCJWVCXDMB-FOIQADDNSA-N 2 2 342.487 3.131 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001722958445 1424279916 /nfs/dbraw/zinc/27/99/16/1424279916.db2.gz XDRSIHNUPMADEU-MOPGFXCFSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001724601282 1424932486 /nfs/dbraw/zinc/93/24/86/1424932486.db2.gz IFMMGHHDXCWRIO-PCXLQKCLSA-N 2 2 335.879 3.057 10 0 EGAELP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001733566019 1429767622 /nfs/dbraw/zinc/76/76/22/1429767622.db2.gz MPPMMFVODLAVBM-AKHDSKFASA-N 2 2 344.503 3.160 10 0 EGAELP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001733566019 1429767623 /nfs/dbraw/zinc/76/76/23/1429767623.db2.gz MPPMMFVODLAVBM-AKHDSKFASA-N 2 2 344.503 3.160 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724735358 1425088919 /nfs/dbraw/zinc/08/89/19/1425088919.db2.gz XVEVYUYJYDAYNA-SJORKVTESA-N 2 2 348.535 3.198 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001724901781 1425296379 /nfs/dbraw/zinc/29/63/79/1425296379.db2.gz ZDEAALBLKOZWBP-HXUWFJFHSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001724901781 1425296382 /nfs/dbraw/zinc/29/63/82/1425296382.db2.gz ZDEAALBLKOZWBP-HXUWFJFHSA-N 2 2 346.519 3.093 10 0 EGAELP COCCC[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001725130784 1425600612 /nfs/dbraw/zinc/60/06/12/1425600612.db2.gz LMUDCMCZHNJKPO-UHFFFAOYSA-N 2 2 347.503 3.016 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240505 1425844168 /nfs/dbraw/zinc/84/41/68/1425844168.db2.gz JCDBTTYMSRZADN-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240505 1425844169 /nfs/dbraw/zinc/84/41/69/1425844169.db2.gz JCDBTTYMSRZADN-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502909 1427484694 /nfs/dbraw/zinc/48/46/94/1427484694.db2.gz KZUYIUZHIBBWRT-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001731502909 1427484698 /nfs/dbraw/zinc/48/46/98/1427484698.db2.gz KZUYIUZHIBBWRT-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001731729308 1427805053 /nfs/dbraw/zinc/80/50/53/1427805053.db2.gz JABZWHZDHZTIMO-UPTPFMHGSA-N 2 2 348.535 3.237 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001733868930 1437695503 /nfs/dbraw/zinc/69/55/03/1437695503.db2.gz RGBKSJJBDXSMTJ-UHFFFAOYSA-N 2 2 348.535 3.150 10 0 EGAELP CC1(C)C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001733874361 1437700525 /nfs/dbraw/zinc/70/05/25/1437700525.db2.gz DBHNSICZNVBWIF-SFHVURJKSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001733874361 1437700527 /nfs/dbraw/zinc/70/05/27/1437700527.db2.gz DBHNSICZNVBWIF-SFHVURJKSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001733874361 1437700529 /nfs/dbraw/zinc/70/05/29/1437700529.db2.gz DBHNSICZNVBWIF-SFHVURJKSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001733874361 1437700534 /nfs/dbraw/zinc/70/05/34/1437700534.db2.gz DBHNSICZNVBWIF-SFHVURJKSA-N 2 2 344.503 3.059 10 0 EGAELP CC[C@H](F)C[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001734288902 1438018234 /nfs/dbraw/zinc/01/82/34/1438018234.db2.gz UZXTXNVBMNCIRS-LSDHHAIUSA-N 2 2 334.439 3.045 10 0 EGAELP Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000368103174 168311554 /nfs/dbraw/zinc/31/15/54/168311554.db2.gz SUYRBIBLNKEOLK-SJCJKPOMSA-N 2 2 341.846 3.033 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255945 240080917 /nfs/dbraw/zinc/08/09/17/240080917.db2.gz RABHGIFARLOELT-IBGZPJMESA-N 2 2 325.456 3.224 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255945 240080923 /nfs/dbraw/zinc/08/09/23/240080923.db2.gz RABHGIFARLOELT-IBGZPJMESA-N 2 2 325.456 3.224 10 0 EGAELP COc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1OC ZINC000110113581 220017413 /nfs/dbraw/zinc/01/74/13/220017413.db2.gz FWRNQBXZZAKGMZ-HNNXBMFYSA-N 2 2 342.443 3.086 10 0 EGAELP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178326185 533021040 /nfs/dbraw/zinc/02/10/40/533021040.db2.gz PVVXIAXGLDLRQD-INIZCTEOSA-N 2 2 344.484 3.017 10 0 EGAELP CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178326185 533021052 /nfs/dbraw/zinc/02/10/52/533021052.db2.gz PVVXIAXGLDLRQD-INIZCTEOSA-N 2 2 344.484 3.017 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000155054712 224350248 /nfs/dbraw/zinc/35/02/48/224350248.db2.gz SOMWCIIHGMJQAP-LLVKDONJSA-N 2 2 330.379 3.331 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)cs1 ZINC000155054712 224350251 /nfs/dbraw/zinc/35/02/51/224350251.db2.gz SOMWCIIHGMJQAP-LLVKDONJSA-N 2 2 330.379 3.331 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCO1 ZINC000328644544 258022481 /nfs/dbraw/zinc/02/24/81/258022481.db2.gz RUPPMRLOLIPHEA-DVTFPSANSA-N 2 2 331.382 3.351 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622028 258035274 /nfs/dbraw/zinc/03/52/74/258035274.db2.gz AWZJZJKLRFYXFH-FXAWDEMLSA-N 3 2 346.519 3.027 10 0 EGAELP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622057 258035406 /nfs/dbraw/zinc/03/54/06/258035406.db2.gz AYNZTWFJPLTXCT-BPAFIMBUSA-N 2 2 327.447 3.434 10 0 EGAELP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622057 258035408 /nfs/dbraw/zinc/03/54/08/258035408.db2.gz AYNZTWFJPLTXCT-BPAFIMBUSA-N 2 2 327.447 3.434 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742582 141029604 /nfs/dbraw/zinc/02/96/04/141029604.db2.gz MVLYXGRGFOKNNY-DLBZAZTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742582 141029610 /nfs/dbraw/zinc/02/96/10/141029610.db2.gz MVLYXGRGFOKNNY-DLBZAZTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742582 141029613 /nfs/dbraw/zinc/02/96/13/141029613.db2.gz MVLYXGRGFOKNNY-DLBZAZTESA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742582 141029616 /nfs/dbraw/zinc/02/96/16/141029616.db2.gz MVLYXGRGFOKNNY-DLBZAZTESA-N 2 2 331.504 3.471 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3ccn(Cc4ccccc4)n3)c2)c[nH+]1 ZINC000341252580 141144440 /nfs/dbraw/zinc/14/44/40/141144440.db2.gz BLTNRAICXGRBCK-UHFFFAOYSA-N 2 2 349.463 3.468 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353463420 141302366 /nfs/dbraw/zinc/30/23/66/141302366.db2.gz RMCNZSDPOLYGHS-IVAOSVALSA-N 2 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353463420 141302367 /nfs/dbraw/zinc/30/23/67/141302367.db2.gz RMCNZSDPOLYGHS-IVAOSVALSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353463420 141302368 /nfs/dbraw/zinc/30/23/68/141302368.db2.gz RMCNZSDPOLYGHS-IVAOSVALSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353463420 141302369 /nfs/dbraw/zinc/30/23/69/141302369.db2.gz RMCNZSDPOLYGHS-IVAOSVALSA-N 2 2 327.516 3.113 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000171960789 144014231 /nfs/dbraw/zinc/01/42/31/144014231.db2.gz ZCNJRJUZWSDDIG-HNNXBMFYSA-N 2 2 349.276 3.440 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000171960789 144014234 /nfs/dbraw/zinc/01/42/34/144014234.db2.gz ZCNJRJUZWSDDIG-HNNXBMFYSA-N 2 2 349.276 3.440 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000174891232 144054142 /nfs/dbraw/zinc/05/41/42/144054142.db2.gz VUISVGHORGBIOX-OAHLLOKOSA-N 2 2 339.886 3.081 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000184734224 144097933 /nfs/dbraw/zinc/09/79/33/144097933.db2.gz FVXRQWNRJXTYMC-INIZCTEOSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000184734224 144097934 /nfs/dbraw/zinc/09/79/34/144097934.db2.gz FVXRQWNRJXTYMC-INIZCTEOSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000184734224 144097935 /nfs/dbraw/zinc/09/79/35/144097935.db2.gz FVXRQWNRJXTYMC-INIZCTEOSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000184734224 144097936 /nfs/dbraw/zinc/09/79/36/144097936.db2.gz FVXRQWNRJXTYMC-INIZCTEOSA-N 2 2 335.455 3.265 10 0 EGAELP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186833648 144144941 /nfs/dbraw/zinc/14/49/41/144144941.db2.gz BJXCAGJLZKMAMY-VQTJNVASSA-N 2 2 331.504 3.229 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000344684347 144209390 /nfs/dbraw/zinc/20/93/90/144209390.db2.gz XMCGMSUFVHBALZ-YLJYHZDGSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000344684347 144209391 /nfs/dbraw/zinc/20/93/91/144209391.db2.gz XMCGMSUFVHBALZ-YLJYHZDGSA-N 2 2 339.483 3.133 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000351607382 144287457 /nfs/dbraw/zinc/28/74/57/144287457.db2.gz WRFUBYQJUIKGPY-HXUWFJFHSA-N 2 2 340.471 3.357 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000351607382 144287459 /nfs/dbraw/zinc/28/74/59/144287459.db2.gz WRFUBYQJUIKGPY-HXUWFJFHSA-N 2 2 340.471 3.357 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)c[nH+]1 ZINC000361653477 144344054 /nfs/dbraw/zinc/34/40/54/144344054.db2.gz IHDJBSPUSNUCFJ-OAQYLSRUSA-N 2 2 349.434 3.152 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)c[nH+]1 ZINC000361653477 144344056 /nfs/dbraw/zinc/34/40/56/144344056.db2.gz IHDJBSPUSNUCFJ-OAQYLSRUSA-N 2 2 349.434 3.152 10 0 EGAELP Cc1cc(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(C)n1C1CC1 ZINC000374208858 144532033 /nfs/dbraw/zinc/53/20/33/144532033.db2.gz NSYYPJVOTNZEBK-UHFFFAOYSA-N 2 2 326.444 3.225 10 0 EGAELP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000191521630 153204633 /nfs/dbraw/zinc/20/46/33/153204633.db2.gz GOIQOPHVSDVHAB-UHFFFAOYSA-N 2 2 331.410 3.157 10 0 EGAELP CN(c1ccccc1CNc1cc[nH+]cc1F)C1CC[NH+](C)CC1 ZINC000192150122 153244649 /nfs/dbraw/zinc/24/46/49/153244649.db2.gz ZZYUMPUMNGLJLB-UHFFFAOYSA-N 2 2 328.435 3.363 10 0 EGAELP C[N@H+]1C[C@@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]2C1 ZINC000193614198 153296306 /nfs/dbraw/zinc/29/63/06/153296306.db2.gz XLIDNOIZRTWRCC-BETUJISGSA-N 2 2 333.888 3.457 10 0 EGAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]2C1 ZINC000193614198 153296310 /nfs/dbraw/zinc/29/63/10/153296310.db2.gz XLIDNOIZRTWRCC-BETUJISGSA-N 2 2 333.888 3.457 10 0 EGAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]2C1 ZINC000193614198 153296316 /nfs/dbraw/zinc/29/63/16/153296316.db2.gz XLIDNOIZRTWRCC-BETUJISGSA-N 2 2 333.888 3.457 10 0 EGAELP C[NH+]1C[C@@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]2C1 ZINC000193614198 153296320 /nfs/dbraw/zinc/29/63/20/153296320.db2.gz XLIDNOIZRTWRCC-BETUJISGSA-N 2 2 333.888 3.457 10 0 EGAELP Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000310094589 154137957 /nfs/dbraw/zinc/13/79/57/154137957.db2.gz UHFJLAQQAPDIQW-HXUWFJFHSA-N 2 2 325.456 3.097 10 0 EGAELP Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310094589 154137962 /nfs/dbraw/zinc/13/79/62/154137962.db2.gz UHFJLAQQAPDIQW-HXUWFJFHSA-N 2 2 325.456 3.097 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000340108115 155100073 /nfs/dbraw/zinc/10/00/73/155100073.db2.gz JJYGJQFNLFWTTM-UHFFFAOYSA-N 2 2 331.460 3.443 10 0 EGAELP CC(C)[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1 ZINC000346946548 156208878 /nfs/dbraw/zinc/20/88/78/156208878.db2.gz NWBMSYQXXXJREN-UYAOXDASSA-N 2 2 339.487 3.426 10 0 EGAELP Cc1sc2nc(C)nc(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1C ZINC000362128311 157034594 /nfs/dbraw/zinc/03/45/94/157034594.db2.gz DTGNHTNBUJMGLE-UHFFFAOYSA-N 2 2 347.532 3.054 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619030 157194091 /nfs/dbraw/zinc/19/40/91/157194091.db2.gz BCYPMABNQXYAMM-KRWDZBQOSA-N 2 2 340.471 3.362 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365619030 157194092 /nfs/dbraw/zinc/19/40/92/157194092.db2.gz BCYPMABNQXYAMM-KRWDZBQOSA-N 2 2 340.471 3.362 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248463672 163008247 /nfs/dbraw/zinc/00/82/47/163008247.db2.gz YZVXLTMBEINSAZ-CABCVRRESA-N 2 2 339.277 3.174 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248463672 163008249 /nfs/dbraw/zinc/00/82/49/163008249.db2.gz YZVXLTMBEINSAZ-CABCVRRESA-N 2 2 339.277 3.174 10 0 EGAELP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248634271 163023954 /nfs/dbraw/zinc/02/39/54/163023954.db2.gz UNKYYKPOVQGPDD-QFBILLFUSA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248634271 163023957 /nfs/dbraw/zinc/02/39/57/163023957.db2.gz UNKYYKPOVQGPDD-QFBILLFUSA-N 2 2 339.439 3.038 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337194286 163158959 /nfs/dbraw/zinc/15/89/59/163158959.db2.gz AGFRFOLGGXNCMN-LJQANCHMSA-N 2 2 345.531 3.230 10 0 EGAELP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337194286 163158962 /nfs/dbraw/zinc/15/89/62/163158962.db2.gz AGFRFOLGGXNCMN-LJQANCHMSA-N 2 2 345.531 3.230 10 0 EGAELP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nc1 ZINC000338903234 163379863 /nfs/dbraw/zinc/37/98/63/163379863.db2.gz JUWNXFKDYSDTPH-UHFFFAOYSA-N 2 2 339.487 3.188 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000343644796 164002422 /nfs/dbraw/zinc/00/24/22/164002422.db2.gz WYURPXXFWJUMKQ-UHFFFAOYSA-N 2 2 328.485 3.436 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCCO1 ZINC000346541423 164393336 /nfs/dbraw/zinc/39/33/36/164393336.db2.gz DXXJRTVINBXBNJ-IYWMVGAKSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCCO1 ZINC000346541423 164393337 /nfs/dbraw/zinc/39/33/37/164393337.db2.gz DXXJRTVINBXBNJ-IYWMVGAKSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCO1 ZINC000346541423 164393339 /nfs/dbraw/zinc/39/33/39/164393339.db2.gz DXXJRTVINBXBNJ-IYWMVGAKSA-N 2 2 338.536 3.299 10 0 EGAELP C[NH+](CC[C@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCO1 ZINC000346541423 164393340 /nfs/dbraw/zinc/39/33/40/164393340.db2.gz DXXJRTVINBXBNJ-IYWMVGAKSA-N 2 2 338.536 3.299 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090748 165230181 /nfs/dbraw/zinc/23/01/81/165230181.db2.gz BZPPQQSEYRBZDV-VQIMIIECSA-N 2 2 338.442 3.003 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000352090748 165230182 /nfs/dbraw/zinc/23/01/82/165230182.db2.gz BZPPQQSEYRBZDV-VQIMIIECSA-N 2 2 338.442 3.003 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000355269117 166151284 /nfs/dbraw/zinc/15/12/84/166151284.db2.gz USWGRFJLAGEKPV-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000355269117 166151285 /nfs/dbraw/zinc/15/12/85/166151285.db2.gz USWGRFJLAGEKPV-PBHICJAKSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000124006129 222363054 /nfs/dbraw/zinc/36/30/54/222363054.db2.gz VVTXKSHJGYKWBH-AAEUAGOBSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000124006129 222363056 /nfs/dbraw/zinc/36/30/56/222363056.db2.gz VVTXKSHJGYKWBH-AAEUAGOBSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124006129 222363059 /nfs/dbraw/zinc/36/30/59/222363059.db2.gz VVTXKSHJGYKWBH-AAEUAGOBSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124006129 222363060 /nfs/dbraw/zinc/36/30/60/222363060.db2.gz VVTXKSHJGYKWBH-AAEUAGOBSA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171590166 227157908 /nfs/dbraw/zinc/15/79/08/227157908.db2.gz WGNRALXGMBSMDV-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171590166 227157911 /nfs/dbraw/zinc/15/79/11/227157911.db2.gz WGNRALXGMBSMDV-OAHLLOKOSA-N 2 2 348.441 3.319 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269661877 266336274 /nfs/dbraw/zinc/33/62/74/266336274.db2.gz ULPWHKRRDJZLAE-IRXDYDNUSA-N 2 2 343.471 3.152 10 0 EGAELP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279672370 275348640 /nfs/dbraw/zinc/34/86/40/275348640.db2.gz FNSBXOVKXUSHCD-HXUWFJFHSA-N 2 2 335.451 3.346 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337221907 301311767 /nfs/dbraw/zinc/31/17/67/301311767.db2.gz FIFSFCVHJCDUPV-LJQANCHMSA-N 2 2 347.478 3.047 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000337221907 301311771 /nfs/dbraw/zinc/31/17/71/301311771.db2.gz FIFSFCVHJCDUPV-LJQANCHMSA-N 2 2 347.478 3.047 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414120449 309062128 /nfs/dbraw/zinc/06/21/28/309062128.db2.gz CJEADYWZNFQTCK-HNNXBMFYSA-N 2 2 343.475 3.187 10 0 EGAELP CCn1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000414203712 309066733 /nfs/dbraw/zinc/06/67/33/309066733.db2.gz AGUXOGFCINVOOH-QGZVFWFLSA-N 2 2 326.488 3.088 10 0 EGAELP CCc1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414362447 309075363 /nfs/dbraw/zinc/07/53/63/309075363.db2.gz SRJAGRYQADQLJT-LJQANCHMSA-N 2 2 335.455 3.383 10 0 EGAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-c2cccnc2)cc1 ZINC000414372422 309076222 /nfs/dbraw/zinc/07/62/22/309076222.db2.gz XSEAIFVSSBUQJG-HNNXBMFYSA-N 2 2 335.455 3.399 10 0 EGAELP COc1c(Br)cccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414836981 309104640 /nfs/dbraw/zinc/10/46/40/309104640.db2.gz TWQZCPOOXZUUOQ-HNNXBMFYSA-N 2 2 335.245 3.247 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000313308718 308765150 /nfs/dbraw/zinc/76/51/50/308765150.db2.gz UQORARUBILRQNP-NSHDSACASA-N 2 2 326.263 3.064 10 0 EGAELP C[NH+]1CCC(CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413111677 309016721 /nfs/dbraw/zinc/01/67/21/309016721.db2.gz QDFRSJWBGULIDP-UHFFFAOYSA-N 2 2 334.261 3.173 10 0 EGAELP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000414854492 309105764 /nfs/dbraw/zinc/10/57/64/309105764.db2.gz ZMDSKZWRTGRLKA-FQEVSTJZSA-N 2 2 335.455 3.180 10 0 EGAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000415016699 309114410 /nfs/dbraw/zinc/11/44/10/309114410.db2.gz ONSABCWLNAJICD-NXEZZACHSA-N 2 2 340.290 3.398 10 0 EGAELP COc1c(C)c[nH+]c(C[N@@H+]2CCC[C@H]2COc2cccnc2C)c1C ZINC000419403949 309266751 /nfs/dbraw/zinc/26/67/51/309266751.db2.gz SEXDWYWYDFYASX-KRWDZBQOSA-N 2 2 341.455 3.454 10 0 EGAELP COc1c(C)c[nH+]c(C[N@H+]2CCC[C@H]2COc2cccnc2C)c1C ZINC000419403949 309266752 /nfs/dbraw/zinc/26/67/52/309266752.db2.gz SEXDWYWYDFYASX-KRWDZBQOSA-N 2 2 341.455 3.454 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372964 309284710 /nfs/dbraw/zinc/28/47/10/309284710.db2.gz MPXRNRIZFXMYBD-YLJYHZDGSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372964 309284711 /nfs/dbraw/zinc/28/47/11/309284711.db2.gz MPXRNRIZFXMYBD-YLJYHZDGSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372961 309284854 /nfs/dbraw/zinc/28/48/54/309284854.db2.gz MPXRNRIZFXMYBD-XLIONFOSSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420372961 309284855 /nfs/dbraw/zinc/28/48/55/309284855.db2.gz MPXRNRIZFXMYBD-XLIONFOSSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420942626 309303128 /nfs/dbraw/zinc/30/31/28/309303128.db2.gz OYKMPUWNUCWZDD-FUHWJXTLSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420942626 309303129 /nfs/dbraw/zinc/30/31/29/309303129.db2.gz OYKMPUWNUCWZDD-FUHWJXTLSA-N 2 2 329.488 3.465 10 0 EGAELP c1cncc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420953466 309303730 /nfs/dbraw/zinc/30/37/30/309303730.db2.gz VEBWOKIVPRQTKQ-OAQYLSRUSA-N 2 2 337.467 3.155 10 0 EGAELP c1csc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCCCC2)c1 ZINC000422762983 309367032 /nfs/dbraw/zinc/36/70/32/309367032.db2.gz IPUITSAFCJXCAX-WMZOPIPTSA-N 2 2 334.529 3.307 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422791649 309368432 /nfs/dbraw/zinc/36/84/32/309368432.db2.gz WJHTXRZVJPJWMD-VQTJNVASSA-N 3 2 342.487 3.063 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOCc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422834620 309370966 /nfs/dbraw/zinc/37/09/66/309370966.db2.gz ZWJLBMKNYWERIU-SFTDATJTSA-N 2 2 340.467 3.295 10 0 EGAELP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422863149 309372535 /nfs/dbraw/zinc/37/25/35/309372535.db2.gz LFQHMPKPYAFUKI-HNNXBMFYSA-N 2 2 329.444 3.069 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2sc(C)nc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888350 309374203 /nfs/dbraw/zinc/37/42/03/309374203.db2.gz MWWGFDKCRSBSCS-HKUYNNGSSA-N 2 2 345.512 3.394 10 0 EGAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422889791 309374540 /nfs/dbraw/zinc/37/45/40/309374540.db2.gz GVQKWUWVEHZGKC-INIZCTEOSA-N 3 2 342.487 3.066 10 0 EGAELP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423096613 309385813 /nfs/dbraw/zinc/38/58/13/309385813.db2.gz PPLPBOYGELPJAH-UMQBVGHOSA-N 2 2 338.854 3.024 10 0 EGAELP COc1ccc([C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423176499 309389195 /nfs/dbraw/zinc/38/91/95/309389195.db2.gz GDBGVFKUKXXDGA-UXHICEINSA-N 2 2 339.483 3.451 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200711 309390389 /nfs/dbraw/zinc/39/03/89/309390389.db2.gz MVEPJYYBARPZSX-AWEZNQCLSA-N 2 2 333.476 3.356 10 0 EGAELP CCCOc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423228859 309391476 /nfs/dbraw/zinc/39/14/76/309391476.db2.gz FNWVXFRTMFPFJY-MRXNPFEDSA-N 2 2 340.471 3.453 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)c2ccccc21 ZINC000423245792 309392117 /nfs/dbraw/zinc/39/21/17/309392117.db2.gz JMAIIPQLXWBXKO-VAMGGRTRSA-N 2 2 338.451 3.458 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252898 309392384 /nfs/dbraw/zinc/39/23/84/309392384.db2.gz YBEQJMVDADWASH-FZKQIMNGSA-N 2 2 327.428 3.004 10 0 EGAELP CCc1nnc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449203765 310044271 /nfs/dbraw/zinc/04/42/71/310044271.db2.gz KWDRZVWKBVBKSG-CVEARBPZSA-N 2 2 341.503 3.113 10 0 EGAELP Fc1cnccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000449295988 310051195 /nfs/dbraw/zinc/05/11/95/310051195.db2.gz WQSHDIHYZJXLOD-UHFFFAOYSA-N 2 2 331.357 3.116 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388866 310058135 /nfs/dbraw/zinc/05/81/35/310058135.db2.gz QNGSOARCGBBIAR-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388866 310058136 /nfs/dbraw/zinc/05/81/36/310058136.db2.gz QNGSOARCGBBIAR-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450111341 310104022 /nfs/dbraw/zinc/10/40/22/310104022.db2.gz HGGQMTQEOLYHKT-NZSAHSFTSA-N 2 2 344.503 3.090 10 0 EGAELP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450111341 310104023 /nfs/dbraw/zinc/10/40/23/310104023.db2.gz HGGQMTQEOLYHKT-NZSAHSFTSA-N 2 2 344.503 3.090 10 0 EGAELP OC1CCC2(CC1)CC[NH+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000451158105 310163361 /nfs/dbraw/zinc/16/33/61/310163361.db2.gz ZEWHPCOUQAPMHD-UHFFFAOYSA-N 2 2 339.483 3.449 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCS2 ZINC000453260963 310267662 /nfs/dbraw/zinc/26/76/62/310267662.db2.gz JPLMXIGGCDSHLH-SJLPKXTDSA-N 2 2 334.529 3.277 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCS2 ZINC000453260963 310267663 /nfs/dbraw/zinc/26/76/63/310267663.db2.gz JPLMXIGGCDSHLH-SJLPKXTDSA-N 2 2 334.529 3.277 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)F ZINC000453273725 310268526 /nfs/dbraw/zinc/26/85/26/310268526.db2.gz VTSUSCOSQAOAMH-HOCLYGCPSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccccc1OC(F)F ZINC000453273725 310268527 /nfs/dbraw/zinc/26/85/27/310268527.db2.gz VTSUSCOSQAOAMH-HOCLYGCPSA-N 2 2 342.430 3.176 10 0 EGAELP COC1([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCOCC1 ZINC000453309142 310270312 /nfs/dbraw/zinc/27/03/12/310270312.db2.gz XMMMKMKTGOGKOC-SFHVURJKSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCOCC1 ZINC000453309142 310270313 /nfs/dbraw/zinc/27/03/13/310270313.db2.gz XMMMKMKTGOGKOC-SFHVURJKSA-N 2 2 346.515 3.215 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1sc(C)cc1Br ZINC000453587305 310283035 /nfs/dbraw/zinc/28/30/35/310283035.db2.gz KLTGWZCRSIXFPZ-GFCCVEGCSA-N 2 2 347.322 3.019 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1sc(C)cc1Br ZINC000453587305 310283036 /nfs/dbraw/zinc/28/30/36/310283036.db2.gz KLTGWZCRSIXFPZ-GFCCVEGCSA-N 2 2 347.322 3.019 10 0 EGAELP Cc1cccc(C[NH+](CCc2c[nH+]cn2C)Cc2cccc(C)n2)n1 ZINC000459381773 310548786 /nfs/dbraw/zinc/54/87/86/310548786.db2.gz DMJMCTLRRDSIGE-UHFFFAOYSA-N 2 2 335.455 3.072 10 0 EGAELP Oc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Br ZINC000459387350 310549289 /nfs/dbraw/zinc/54/92/89/310549289.db2.gz CREQYVONQIXKSV-UHFFFAOYSA-N 2 2 339.277 3.261 10 0 EGAELP COC1(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000475353480 310811142 /nfs/dbraw/zinc/81/11/42/310811142.db2.gz WFSALMRSAIGCSA-UHFFFAOYSA-N 2 2 334.426 3.341 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058998 311162283 /nfs/dbraw/zinc/16/22/83/311162283.db2.gz QGGFBNGFWWCFJD-OALUTQOASA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058998 311162285 /nfs/dbraw/zinc/16/22/85/311162285.db2.gz QGGFBNGFWWCFJD-OALUTQOASA-N 2 2 337.552 3.269 10 0 EGAELP Clc1ccc(OCC2CC2)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000515021274 312260471 /nfs/dbraw/zinc/26/04/71/312260471.db2.gz VJBHBWRUNWXKLX-HNNXBMFYSA-N 2 2 331.847 3.499 10 0 EGAELP Clc1ccc(OCC2CC2)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000515021274 312260473 /nfs/dbraw/zinc/26/04/73/312260473.db2.gz VJBHBWRUNWXKLX-HNNXBMFYSA-N 2 2 331.847 3.499 10 0 EGAELP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])on1 ZINC000517356192 312375866 /nfs/dbraw/zinc/37/58/66/312375866.db2.gz HISSGYGWWFRITO-IRXDYDNUSA-N 2 2 337.423 3.473 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553654 313353261 /nfs/dbraw/zinc/35/32/61/313353261.db2.gz JAAHXYCJDAVLSB-CRAIPNDOSA-N 2 2 338.442 3.301 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553654 313353264 /nfs/dbraw/zinc/35/32/64/313353264.db2.gz JAAHXYCJDAVLSB-CRAIPNDOSA-N 2 2 338.442 3.301 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569950 313358753 /nfs/dbraw/zinc/35/87/53/313358753.db2.gz SBWRSDOASYPIFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2Br)C1 ZINC000529569950 313358755 /nfs/dbraw/zinc/35/87/55/313358755.db2.gz SBWRSDOASYPIFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2Br)C1 ZINC000529569950 313358758 /nfs/dbraw/zinc/35/87/58/313358758.db2.gz SBWRSDOASYPIFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccsc2Br)C1 ZINC000529569950 313358760 /nfs/dbraw/zinc/35/87/60/313358760.db2.gz SBWRSDOASYPIFH-WCQYABFASA-N 2 2 329.307 3.427 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000529668268 313382441 /nfs/dbraw/zinc/38/24/41/313382441.db2.gz FRRITXOOTCVGAP-FXAWDEMLSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000529668268 313382443 /nfs/dbraw/zinc/38/24/43/313382443.db2.gz FRRITXOOTCVGAP-FXAWDEMLSA-N 2 2 343.515 3.018 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049848 314292315 /nfs/dbraw/zinc/29/23/15/314292315.db2.gz SMNNBMFQMFNJRQ-QMTHXVAHSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049848 314292317 /nfs/dbraw/zinc/29/23/17/314292317.db2.gz SMNNBMFQMFNJRQ-QMTHXVAHSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140931 314364688 /nfs/dbraw/zinc/36/46/88/314364688.db2.gz BCMZMUSCSKHREF-QRWLVFNGSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000540140931 314364690 /nfs/dbraw/zinc/36/46/90/314364690.db2.gz BCMZMUSCSKHREF-QRWLVFNGSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nnc2n1CCCCC2 ZINC000543244325 314615486 /nfs/dbraw/zinc/61/54/86/314615486.db2.gz CWBDDGMTYVXDJO-ZDUSSCGKSA-N 2 2 342.472 3.103 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000551898728 315176004 /nfs/dbraw/zinc/17/60/04/315176004.db2.gz OYRLWFHSFCNGJI-UONOGXRCSA-N 2 2 344.484 3.089 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000551898728 315176005 /nfs/dbraw/zinc/17/60/05/315176005.db2.gz OYRLWFHSFCNGJI-UONOGXRCSA-N 2 2 344.484 3.089 10 0 EGAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565193735 316287900 /nfs/dbraw/zinc/28/79/00/316287900.db2.gz ADTQKQNTQCVKLE-AWEZNQCLSA-N 2 2 325.412 3.463 10 0 EGAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565193735 316287902 /nfs/dbraw/zinc/28/79/02/316287902.db2.gz ADTQKQNTQCVKLE-AWEZNQCLSA-N 2 2 325.412 3.463 10 0 EGAELP Cc1nocc1C[NH2+][C@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000565637851 316349651 /nfs/dbraw/zinc/34/96/51/316349651.db2.gz COGBBWCEPBWBBZ-AWEZNQCLSA-N 2 2 344.365 3.229 10 0 EGAELP Brc1ccc2c(cc[nH+]c2NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000565761730 316366082 /nfs/dbraw/zinc/36/60/82/316366082.db2.gz ACFQVFMBDBKBRW-LBPRGKRZSA-N 2 2 346.272 3.315 10 0 EGAELP Brc1ccc2c(cc[nH+]c2NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000565761730 316366085 /nfs/dbraw/zinc/36/60/85/316366085.db2.gz ACFQVFMBDBKBRW-LBPRGKRZSA-N 2 2 346.272 3.315 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570249978 317027539 /nfs/dbraw/zinc/02/75/39/317027539.db2.gz JVGCEFAACQABEM-OAHLLOKOSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570249978 317027543 /nfs/dbraw/zinc/02/75/43/317027543.db2.gz JVGCEFAACQABEM-OAHLLOKOSA-N 2 2 341.846 3.204 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Cl)cc1 ZINC000571979318 317273807 /nfs/dbraw/zinc/27/38/07/317273807.db2.gz AKENJEDZIUCQCI-QGZVFWFLSA-N 2 2 345.830 3.217 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Cl)cc1 ZINC000571979318 317273810 /nfs/dbraw/zinc/27/38/10/317273810.db2.gz AKENJEDZIUCQCI-QGZVFWFLSA-N 2 2 345.830 3.217 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351201445 324193972 /nfs/dbraw/zinc/19/39/72/324193972.db2.gz COMVODWFSQNTEW-ZFWWWQNUSA-N 2 2 339.443 3.168 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351201445 324193977 /nfs/dbraw/zinc/19/39/77/324193977.db2.gz COMVODWFSQNTEW-ZFWWWQNUSA-N 2 2 339.443 3.168 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000389813086 324280078 /nfs/dbraw/zinc/28/00/78/324280078.db2.gz HENMFSUMLZHSET-OXQOHEQNSA-N 2 2 338.451 3.083 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000389813086 324280082 /nfs/dbraw/zinc/28/00/82/324280082.db2.gz HENMFSUMLZHSET-OXQOHEQNSA-N 2 2 338.451 3.083 10 0 EGAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000389972890 324282142 /nfs/dbraw/zinc/28/21/42/324282142.db2.gz YBUNDBAQYXYRSB-NJDAHSKKSA-N 2 2 338.499 3.332 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000578867682 325030503 /nfs/dbraw/zinc/03/05/03/325030503.db2.gz YCXZRXJJESKYCJ-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP COc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000578867682 325030506 /nfs/dbraw/zinc/03/05/06/325030506.db2.gz YCXZRXJJESKYCJ-LJQANCHMSA-N 2 2 343.496 3.394 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081709 325200848 /nfs/dbraw/zinc/20/08/48/325200848.db2.gz XYYSJHWHXSIAAK-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081709 325200850 /nfs/dbraw/zinc/20/08/50/325200850.db2.gz XYYSJHWHXSIAAK-IEBWSBKVSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081710 325201395 /nfs/dbraw/zinc/20/13/95/325201395.db2.gz XYYSJHWHXSIAAK-MJGOQNOKSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000580081710 325201396 /nfs/dbraw/zinc/20/13/96/325201396.db2.gz XYYSJHWHXSIAAK-MJGOQNOKSA-N 2 2 340.471 3.005 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000582127305 325416277 /nfs/dbraw/zinc/41/62/77/325416277.db2.gz PMCMJLYGVISWDS-RMFNQSEZSA-N 2 2 336.520 3.208 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894314 455251819 /nfs/dbraw/zinc/25/18/19/455251819.db2.gz GFBUHDYTMKMPEE-GJZGRUSLSA-N 2 2 328.460 3.216 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000173345644 455270174 /nfs/dbraw/zinc/27/01/74/455270174.db2.gz VBBDAHYXQJPXTG-CZUORRHYSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623445894 460555098 /nfs/dbraw/zinc/55/50/98/460555098.db2.gz IVFBRPNLUMSHSA-IAQYHMDHSA-N 2 2 346.368 3.339 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600743542 460587960 /nfs/dbraw/zinc/58/79/60/460587960.db2.gz JPOHXGNXVIKJKQ-KDURUIRLSA-N 2 2 344.480 3.119 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600743542 460587966 /nfs/dbraw/zinc/58/79/66/460587966.db2.gz JPOHXGNXVIKJKQ-KDURUIRLSA-N 2 2 344.480 3.119 10 0 EGAELP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000089668857 454175477 /nfs/dbraw/zinc/17/54/77/454175477.db2.gz NIXVCQJPVHRSFA-HXUWFJFHSA-N 2 2 325.456 3.023 10 0 EGAELP c1cn(-c2ccc(C[N@H+](Cc3cccnc3)C[C@H]3CCCO3)cc2)c[nH+]1 ZINC000071911886 454254241 /nfs/dbraw/zinc/25/42/41/454254241.db2.gz HIINBSFWAWTXQS-OAQYLSRUSA-N 2 2 348.450 3.449 10 0 EGAELP c1cn(-c2ccc(C[N@@H+](Cc3cccnc3)C[C@H]3CCCO3)cc2)c[nH+]1 ZINC000071911886 454254246 /nfs/dbraw/zinc/25/42/46/454254246.db2.gz HIINBSFWAWTXQS-OAQYLSRUSA-N 2 2 348.450 3.449 10 0 EGAELP COc1cccc(C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CC2)c1 ZINC000121037674 454380762 /nfs/dbraw/zinc/38/07/62/454380762.db2.gz SEHWDNJKYIPIMT-FQEVSTJZSA-N 2 2 348.450 3.387 10 0 EGAELP Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000051119226 454609153 /nfs/dbraw/zinc/60/91/53/454609153.db2.gz NYJWJXDVRURRKL-MRXNPFEDSA-N 2 2 327.428 3.047 10 0 EGAELP Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000051119226 454609159 /nfs/dbraw/zinc/60/91/59/454609159.db2.gz NYJWJXDVRURRKL-MRXNPFEDSA-N 2 2 327.428 3.047 10 0 EGAELP CC[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863592 454661882 /nfs/dbraw/zinc/66/18/82/454661882.db2.gz ZGBOVSWKIQASEF-HXUWFJFHSA-N 2 2 326.488 3.431 10 0 EGAELP CC[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863592 454661893 /nfs/dbraw/zinc/66/18/93/454661893.db2.gz ZGBOVSWKIQASEF-HXUWFJFHSA-N 2 2 326.488 3.431 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866329 454741189 /nfs/dbraw/zinc/74/11/89/454741189.db2.gz VLHGKKAVQZULRU-OAHLLOKOSA-N 2 2 338.436 3.253 10 0 EGAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866329 454741195 /nfs/dbraw/zinc/74/11/95/454741195.db2.gz VLHGKKAVQZULRU-OAHLLOKOSA-N 2 2 338.436 3.253 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152967774 454747808 /nfs/dbraw/zinc/74/78/08/454747808.db2.gz AQRJCDMMHWGJJV-QUCCMNQESA-N 2 2 326.488 3.306 10 0 EGAELP C[C@H](CCn1cccn1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152967774 454747812 /nfs/dbraw/zinc/74/78/12/454747812.db2.gz AQRJCDMMHWGJJV-QUCCMNQESA-N 2 2 326.488 3.306 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153235400 454773655 /nfs/dbraw/zinc/77/36/55/454773655.db2.gz ZLJFSVIFEVBWRA-BEFAXECRSA-N 2 2 332.488 3.075 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643814 454783640 /nfs/dbraw/zinc/78/36/40/454783640.db2.gz MZDQHYQNNXORLK-RHSMWYFYSA-N 2 2 346.450 3.346 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643814 454783641 /nfs/dbraw/zinc/78/36/41/454783641.db2.gz MZDQHYQNNXORLK-RHSMWYFYSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643814 454783644 /nfs/dbraw/zinc/78/36/44/454783644.db2.gz MZDQHYQNNXORLK-RHSMWYFYSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643814 454783645 /nfs/dbraw/zinc/78/36/45/454783645.db2.gz MZDQHYQNNXORLK-RHSMWYFYSA-N 2 2 346.450 3.346 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000163305034 454837823 /nfs/dbraw/zinc/83/78/23/454837823.db2.gz YDXZGPQMTSPEDK-RHSMWYFYSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000163305034 454837826 /nfs/dbraw/zinc/83/78/26/454837826.db2.gz YDXZGPQMTSPEDK-RHSMWYFYSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000163348917 454840937 /nfs/dbraw/zinc/84/09/37/454840937.db2.gz JYSRVPMJSKZSJA-UONOGXRCSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000163348917 454840940 /nfs/dbraw/zinc/84/09/40/454840940.db2.gz JYSRVPMJSKZSJA-UONOGXRCSA-N 2 2 328.403 3.049 10 0 EGAELP C[C@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064134 454932148 /nfs/dbraw/zinc/93/21/48/454932148.db2.gz GVDLBYZZILMSAL-RBUKOAKNSA-N 2 2 332.536 3.496 10 0 EGAELP C[C@H]1CCC[C@H](CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000151064134 454932152 /nfs/dbraw/zinc/93/21/52/454932152.db2.gz GVDLBYZZILMSAL-RBUKOAKNSA-N 2 2 332.536 3.496 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178307400 454947479 /nfs/dbraw/zinc/94/74/79/454947479.db2.gz CZMCDSUUTXVHBN-HNNXBMFYSA-N 2 2 339.277 3.348 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000178322675 454948516 /nfs/dbraw/zinc/94/85/16/454948516.db2.gz YWXUAAJIQUHATN-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000178322675 454948519 /nfs/dbraw/zinc/94/85/19/454948519.db2.gz YWXUAAJIQUHATN-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151311490 454966877 /nfs/dbraw/zinc/96/68/77/454966877.db2.gz RSVMDNNDESRAOJ-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP COCCCOc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127779477 454997128 /nfs/dbraw/zinc/99/71/28/454997128.db2.gz PWBAJPXMOLGKMB-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(OC)c1 ZINC000151531875 454997999 /nfs/dbraw/zinc/99/79/99/454997999.db2.gz FYXLGFHBDMBIIR-AWEZNQCLSA-N 2 2 338.411 3.135 10 0 EGAELP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000170986988 455011065 /nfs/dbraw/zinc/01/10/65/455011065.db2.gz VPJOXZWUNRFHTL-GOSISDBHSA-N 2 2 345.531 3.275 10 0 EGAELP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000115371922 455012248 /nfs/dbraw/zinc/01/22/48/455012248.db2.gz ADFRPYFJSFEGEA-KRWDZBQOSA-N 2 2 339.439 3.396 10 0 EGAELP CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000115371922 455012252 /nfs/dbraw/zinc/01/22/52/455012252.db2.gz ADFRPYFJSFEGEA-KRWDZBQOSA-N 2 2 339.439 3.396 10 0 EGAELP COc1cc2c(c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000180120730 455135130 /nfs/dbraw/zinc/13/51/30/455135130.db2.gz ACNCSXPIYKJOMV-KDOFPFPSSA-N 2 2 341.455 3.188 10 0 EGAELP COc1cc2c(c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000180120730 455135132 /nfs/dbraw/zinc/13/51/32/455135132.db2.gz ACNCSXPIYKJOMV-KDOFPFPSSA-N 2 2 341.455 3.188 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424174 455294432 /nfs/dbraw/zinc/29/44/32/455294432.db2.gz JYJCIAWYBGWFDV-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424174 455294438 /nfs/dbraw/zinc/29/44/38/455294438.db2.gz JYJCIAWYBGWFDV-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424174 455294442 /nfs/dbraw/zinc/29/44/42/455294442.db2.gz JYJCIAWYBGWFDV-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000245424174 455294448 /nfs/dbraw/zinc/29/44/48/455294448.db2.gz JYJCIAWYBGWFDV-JXFKEZNVSA-N 2 2 339.483 3.440 10 0 EGAELP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000245456691 455306525 /nfs/dbraw/zinc/30/65/25/455306525.db2.gz BNQQOSTUHJTZJX-GJZGRUSLSA-N 2 2 346.500 3.488 10 0 EGAELP CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000245456691 455306530 /nfs/dbraw/zinc/30/65/30/455306530.db2.gz BNQQOSTUHJTZJX-GJZGRUSLSA-N 2 2 346.500 3.488 10 0 EGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1Cl ZINC000265465117 455329511 /nfs/dbraw/zinc/32/95/11/455329511.db2.gz GXVCPDVSVNVPBM-CYBMUJFWSA-N 2 2 346.862 3.120 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245562805 455331594 /nfs/dbraw/zinc/33/15/94/455331594.db2.gz CSIHYAZNYSNNSM-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245562805 455331601 /nfs/dbraw/zinc/33/16/01/455331601.db2.gz CSIHYAZNYSNNSM-PKOBYXMFSA-N 2 2 346.519 3.243 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610410 455339894 /nfs/dbraw/zinc/33/98/94/455339894.db2.gz BAHUKKAWOVEGBE-LSDHHAIUSA-N 2 2 330.501 3.189 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610410 455339897 /nfs/dbraw/zinc/33/98/97/455339897.db2.gz BAHUKKAWOVEGBE-LSDHHAIUSA-N 2 2 330.501 3.189 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610410 455339899 /nfs/dbraw/zinc/33/98/99/455339899.db2.gz BAHUKKAWOVEGBE-LSDHHAIUSA-N 2 2 330.501 3.189 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610410 455339905 /nfs/dbraw/zinc/33/99/05/455339905.db2.gz BAHUKKAWOVEGBE-LSDHHAIUSA-N 2 2 330.501 3.189 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000174285841 455376587 /nfs/dbraw/zinc/37/65/87/455376587.db2.gz OUCIGBOKZWQFON-SJORKVTESA-N 2 2 325.460 3.228 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191139522 455450495 /nfs/dbraw/zinc/45/04/95/455450495.db2.gz FQPAGFQCHQAEBS-XHSDSOJGSA-N 2 2 336.524 3.096 10 0 EGAELP Cc1cccc2c(NCC[NH+]3CCC([NH+](C)C)CC3)c(C)c[nH+]c12 ZINC000185340260 455543904 /nfs/dbraw/zinc/54/39/04/455543904.db2.gz QNVAMOFQNILXFU-UHFFFAOYSA-N 3 2 326.488 3.290 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247144011 455566068 /nfs/dbraw/zinc/56/60/68/455566068.db2.gz LCWUQBBINJYJSJ-HUUCEWRRSA-N 2 2 346.500 3.021 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247144011 455566074 /nfs/dbraw/zinc/56/60/74/455566074.db2.gz LCWUQBBINJYJSJ-HUUCEWRRSA-N 2 2 346.500 3.021 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434478 455662153 /nfs/dbraw/zinc/66/21/53/455662153.db2.gz MMKVYDHOGCQOHV-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434478 455662155 /nfs/dbraw/zinc/66/21/55/455662155.db2.gz MMKVYDHOGCQOHV-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434478 455662159 /nfs/dbraw/zinc/66/21/59/455662159.db2.gz MMKVYDHOGCQOHV-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434478 455662162 /nfs/dbraw/zinc/66/21/62/455662162.db2.gz MMKVYDHOGCQOHV-TZIWHRDSSA-N 2 2 336.483 3.272 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183727 455695303 /nfs/dbraw/zinc/69/53/03/455695303.db2.gz WYBFTGRDKOOBFM-NVXWUHKLSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183727 455695306 /nfs/dbraw/zinc/69/53/06/455695306.db2.gz WYBFTGRDKOOBFM-NVXWUHKLSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183727 455695310 /nfs/dbraw/zinc/69/53/10/455695310.db2.gz WYBFTGRDKOOBFM-NVXWUHKLSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183727 455695314 /nfs/dbraw/zinc/69/53/14/455695314.db2.gz WYBFTGRDKOOBFM-NVXWUHKLSA-N 2 2 329.419 3.397 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000249420363 455754775 /nfs/dbraw/zinc/75/47/75/455754775.db2.gz HLCRDZFVRHOVLW-GOEBONIOSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000249420363 455754781 /nfs/dbraw/zinc/75/47/81/455754781.db2.gz HLCRDZFVRHOVLW-GOEBONIOSA-N 2 2 349.450 3.194 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2C(C)C)C1 ZINC000195251533 455936937 /nfs/dbraw/zinc/93/69/37/455936937.db2.gz XVGONXFAEZKSEB-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2C(C)C)C1 ZINC000195251533 455936945 /nfs/dbraw/zinc/93/69/45/455936945.db2.gz XVGONXFAEZKSEB-INIZCTEOSA-N 2 2 347.532 3.183 10 0 EGAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702133 455941140 /nfs/dbraw/zinc/94/11/40/455941140.db2.gz TXPUBCWFXMVTTH-JXFKEZNVSA-N 2 2 326.488 3.434 10 0 EGAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702133 455941145 /nfs/dbraw/zinc/94/11/45/455941145.db2.gz TXPUBCWFXMVTTH-JXFKEZNVSA-N 2 2 326.488 3.434 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188210243 456021721 /nfs/dbraw/zinc/02/17/21/456021721.db2.gz CQKYNHMRMBFTEX-SUYBPPKGSA-N 2 2 328.859 3.344 10 0 EGAELP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188210243 456021726 /nfs/dbraw/zinc/02/17/26/456021726.db2.gz CQKYNHMRMBFTEX-SUYBPPKGSA-N 2 2 328.859 3.344 10 0 EGAELP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000623759378 460708573 /nfs/dbraw/zinc/70/85/73/460708573.db2.gz KAWMRVJMEBQACQ-QGZVFWFLSA-N 2 2 330.859 3.163 10 0 EGAELP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000623759378 460708578 /nfs/dbraw/zinc/70/85/78/460708578.db2.gz KAWMRVJMEBQACQ-QGZVFWFLSA-N 2 2 330.859 3.163 10 0 EGAELP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000272843547 456087361 /nfs/dbraw/zinc/08/73/61/456087361.db2.gz JDDLVBRLLVRFBH-UHFFFAOYSA-N 2 2 347.772 3.195 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)cn1 ZINC000297071244 456109457 /nfs/dbraw/zinc/10/94/57/456109457.db2.gz ZNFWCTNMHAEFNB-CYBMUJFWSA-N 2 2 332.398 3.272 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)cn1 ZINC000297071244 456109460 /nfs/dbraw/zinc/10/94/60/456109460.db2.gz ZNFWCTNMHAEFNB-CYBMUJFWSA-N 2 2 332.398 3.272 10 0 EGAELP c1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000301816346 456223226 /nfs/dbraw/zinc/22/32/26/456223226.db2.gz HCFHAHHECSEUPZ-GOSISDBHSA-N 2 2 343.519 3.391 10 0 EGAELP c1nc(NCC2CC2)cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000301816346 456223233 /nfs/dbraw/zinc/22/32/33/456223233.db2.gz HCFHAHHECSEUPZ-GOSISDBHSA-N 2 2 343.519 3.391 10 0 EGAELP C[NH+](C)[C@@H](CNc1nc(N2Cc3ccccc3C2)cc[nH+]1)c1ccco1 ZINC000623797147 460720616 /nfs/dbraw/zinc/72/06/16/460720616.db2.gz CISNWQGNJPGFJY-KRWDZBQOSA-N 2 2 349.438 3.305 10 0 EGAELP Cc1cn2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000263879293 456253193 /nfs/dbraw/zinc/25/31/93/456253193.db2.gz WMTUDFJPRXJAAI-UHFFFAOYSA-N 2 2 348.450 3.493 10 0 EGAELP C1CCC([N@@H+]2CCC[C@@H]2c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761206 456260202 /nfs/dbraw/zinc/26/02/02/456260202.db2.gz VTOIUQYCVXKCKY-GVDBMIGSSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([N@H+]2CCC[C@@H]2c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761206 456260206 /nfs/dbraw/zinc/26/02/06/456260206.db2.gz VTOIUQYCVXKCKY-GVDBMIGSSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761206 456260211 /nfs/dbraw/zinc/26/02/11/456260211.db2.gz VTOIUQYCVXKCKY-GVDBMIGSSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@@H]2c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761206 456260216 /nfs/dbraw/zinc/26/02/16/456260216.db2.gz VTOIUQYCVXKCKY-GVDBMIGSSA-N 2 2 346.475 3.075 10 0 EGAELP Cc1nc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302089289 456285201 /nfs/dbraw/zinc/28/52/01/456285201.db2.gz LMCQFMTYPPPLPO-GOSISDBHSA-N 2 2 336.483 3.422 10 0 EGAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994876 456384845 /nfs/dbraw/zinc/38/48/45/456384845.db2.gz IKXLSIIHVHSEOB-ZFWWWQNUSA-N 2 2 341.459 3.420 10 0 EGAELP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994876 456384852 /nfs/dbraw/zinc/38/48/52/456384852.db2.gz IKXLSIIHVHSEOB-ZFWWWQNUSA-N 2 2 341.459 3.420 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131547 456422290 /nfs/dbraw/zinc/42/22/90/456422290.db2.gz RKIMYKDXNQDEQZ-BEFAXECRSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1F ZINC000282131547 456422297 /nfs/dbraw/zinc/42/22/97/456422297.db2.gz RKIMYKDXNQDEQZ-BEFAXECRSA-N 2 2 343.446 3.272 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000298346363 456431688 /nfs/dbraw/zinc/43/16/88/456431688.db2.gz BROQMIDOKSQEQQ-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000298346363 456431696 /nfs/dbraw/zinc/43/16/96/456431696.db2.gz BROQMIDOKSQEQQ-UYAOXDASSA-N 2 2 341.430 3.189 10 0 EGAELP CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282244490 456452825 /nfs/dbraw/zinc/45/28/25/456452825.db2.gz ARDLCAZZVUHFDB-AWEZNQCLSA-N 2 2 345.516 3.122 10 0 EGAELP CN(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282244490 456452831 /nfs/dbraw/zinc/45/28/31/456452831.db2.gz ARDLCAZZVUHFDB-AWEZNQCLSA-N 2 2 345.516 3.122 10 0 EGAELP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1O ZINC000298692200 456517884 /nfs/dbraw/zinc/51/78/84/456517884.db2.gz LQACHXDYOKSEHD-UHFFFAOYSA-N 2 2 340.467 3.131 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000348184050 456520856 /nfs/dbraw/zinc/52/08/56/456520856.db2.gz FDSHARGGGGIDLC-LJQANCHMSA-N 2 2 343.496 3.226 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000348184050 456520861 /nfs/dbraw/zinc/52/08/61/456520861.db2.gz FDSHARGGGGIDLC-LJQANCHMSA-N 2 2 343.496 3.226 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000340596082 456557103 /nfs/dbraw/zinc/55/71/03/456557103.db2.gz ROESFAKPVRIVCO-UHFFFAOYSA-N 2 2 336.414 3.400 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(F)(F)c1ccccc1 ZINC000353243093 456582734 /nfs/dbraw/zinc/58/27/34/456582734.db2.gz PLHPTNQASOCZTC-UHFFFAOYSA-N 2 2 328.366 3.457 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494672 456630511 /nfs/dbraw/zinc/63/05/11/456630511.db2.gz VPVHYTFVLMLSKZ-HIFRSBDPSA-N 2 2 338.879 3.321 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494672 456630517 /nfs/dbraw/zinc/63/05/17/456630517.db2.gz VPVHYTFVLMLSKZ-HIFRSBDPSA-N 2 2 338.879 3.321 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324249437 456664716 /nfs/dbraw/zinc/66/47/16/456664716.db2.gz ZQDLXZKNXJDJCA-PKOBYXMFSA-N 2 2 330.472 3.252 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324249437 456664722 /nfs/dbraw/zinc/66/47/22/456664722.db2.gz ZQDLXZKNXJDJCA-PKOBYXMFSA-N 2 2 330.472 3.252 10 0 EGAELP Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000301130779 456803958 /nfs/dbraw/zinc/80/39/58/456803958.db2.gz UMOSDDQMLKAWNM-HNNXBMFYSA-N 2 2 325.460 3.381 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000353624368 456811289 /nfs/dbraw/zinc/81/12/89/456811289.db2.gz PSOOLVXCBIREQK-VNHYZAJKSA-N 2 2 329.444 3.066 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000353624368 456811293 /nfs/dbraw/zinc/81/12/93/456811293.db2.gz PSOOLVXCBIREQK-VNHYZAJKSA-N 2 2 329.444 3.066 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCCN(c3ccccc3F)CC2)s1 ZINC000348787820 456857020 /nfs/dbraw/zinc/85/70/20/456857020.db2.gz YGEWZTFWHDHNOM-UHFFFAOYSA-N 2 2 348.491 3.056 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@H+]2CCCN(c3ccccc3F)CC2)s1 ZINC000348787820 456857026 /nfs/dbraw/zinc/85/70/26/456857026.db2.gz YGEWZTFWHDHNOM-UHFFFAOYSA-N 2 2 348.491 3.056 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354119326 457076193 /nfs/dbraw/zinc/07/61/93/457076193.db2.gz ZLMWXADJEBSJQD-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000354119326 457076196 /nfs/dbraw/zinc/07/61/96/457076196.db2.gz ZLMWXADJEBSJQD-OAHLLOKOSA-N 2 2 330.501 3.369 10 0 EGAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176382 457112192 /nfs/dbraw/zinc/11/21/92/457112192.db2.gz KEQNKRVUZDNOLR-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176382 457112195 /nfs/dbraw/zinc/11/21/95/457112195.db2.gz KEQNKRVUZDNOLR-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176382 457112200 /nfs/dbraw/zinc/11/22/00/457112200.db2.gz KEQNKRVUZDNOLR-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)C1 ZINC000354176382 457112205 /nfs/dbraw/zinc/11/22/05/457112205.db2.gz KEQNKRVUZDNOLR-GOSISDBHSA-N 2 2 328.485 3.123 10 0 EGAELP c1cn(Cc2cccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c2)c[nH+]1 ZINC000347210321 457290543 /nfs/dbraw/zinc/29/05/43/457290543.db2.gz HFHDYCDWNPMLMK-UHFFFAOYSA-N 2 2 342.362 3.296 10 0 EGAELP Clc1cccc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000342613296 457403332 /nfs/dbraw/zinc/40/33/32/457403332.db2.gz ZTOINMOUEJEZOR-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP CCOC(=O)[C@H](CC)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000347416895 457415909 /nfs/dbraw/zinc/41/59/09/457415909.db2.gz PKVZTWCPBPKJTR-INIZCTEOSA-N 2 2 333.457 3.240 10 0 EGAELP CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000347416895 457415918 /nfs/dbraw/zinc/41/59/18/457415918.db2.gz PKVZTWCPBPKJTR-INIZCTEOSA-N 2 2 333.457 3.240 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000385994032 457430884 /nfs/dbraw/zinc/43/08/84/457430884.db2.gz BITWKSYQGBUNPA-KBAYOESNSA-N 2 2 338.480 3.015 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000385994032 457430890 /nfs/dbraw/zinc/43/08/90/457430890.db2.gz BITWKSYQGBUNPA-KBAYOESNSA-N 2 2 338.480 3.015 10 0 EGAELP C[S@](=O)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000360972435 457478589 /nfs/dbraw/zinc/47/85/89/457478589.db2.gz ACJNBECKYUUEBH-SBUREZEXSA-N 2 2 345.493 3.143 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044500 457494216 /nfs/dbraw/zinc/49/42/16/457494216.db2.gz AWYZSGDUXFAQAM-LMNJBCLMSA-N 2 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044500 457494224 /nfs/dbraw/zinc/49/42/24/457494224.db2.gz AWYZSGDUXFAQAM-LMNJBCLMSA-N 2 2 327.516 3.256 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C#N)c[nH+]1 ZINC000399587844 457509636 /nfs/dbraw/zinc/50/96/36/457509636.db2.gz NYBMLOQCHLNZIN-DFQSSKMNSA-N 2 2 332.451 3.006 10 0 EGAELP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C#N)c[nH+]1 ZINC000399587844 457509642 /nfs/dbraw/zinc/50/96/42/457509642.db2.gz NYBMLOQCHLNZIN-DFQSSKMNSA-N 2 2 332.451 3.006 10 0 EGAELP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000374199916 457518891 /nfs/dbraw/zinc/51/88/91/457518891.db2.gz MSDHKQQHYQPQSU-ZDUSSCGKSA-N 2 2 346.862 3.120 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000361023770 457520427 /nfs/dbraw/zinc/52/04/27/457520427.db2.gz ORYIYNBCAVYOAD-ZIAGYGMSSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000361023770 457520433 /nfs/dbraw/zinc/52/04/33/457520433.db2.gz ORYIYNBCAVYOAD-ZIAGYGMSSA-N 2 2 346.393 3.347 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209192 457523704 /nfs/dbraw/zinc/52/37/04/457523704.db2.gz APNCPTFTZOZTCW-UHFFFAOYSA-N 2 2 332.835 3.190 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000352740188 457572910 /nfs/dbraw/zinc/57/29/10/457572910.db2.gz VDZWDIMJEIEKGI-QAPCUYQASA-N 2 2 331.485 3.072 10 0 EGAELP FC(F)(F)c1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000361301169 457684619 /nfs/dbraw/zinc/68/46/19/457684619.db2.gz VALJFDLXPSAUNH-UHFFFAOYSA-N 2 2 327.394 3.408 10 0 EGAELP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361382144 457712715 /nfs/dbraw/zinc/71/27/15/457712715.db2.gz SSIIGPWRQKFNQK-IAGOWNOFSA-N 2 2 342.487 3.019 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000374831361 457716274 /nfs/dbraw/zinc/71/62/74/457716274.db2.gz YKTLGBLBGKXLAW-MOPGFXCFSA-N 2 2 348.441 3.365 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558850 457852486 /nfs/dbraw/zinc/85/24/86/457852486.db2.gz LZSZQZUAYURFLS-FQEVSTJZSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558850 457852492 /nfs/dbraw/zinc/85/24/92/457852492.db2.gz LZSZQZUAYURFLS-FQEVSTJZSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366558850 457852498 /nfs/dbraw/zinc/85/24/98/457852498.db2.gz LZSZQZUAYURFLS-FQEVSTJZSA-N 2 2 342.439 3.137 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366558850 457852503 /nfs/dbraw/zinc/85/25/03/457852503.db2.gz LZSZQZUAYURFLS-FQEVSTJZSA-N 2 2 342.439 3.137 10 0 EGAELP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1scnc1C ZINC000426566615 457855792 /nfs/dbraw/zinc/85/57/92/457855792.db2.gz GYAHEHCVEFDJTP-UHFFFAOYSA-N 2 2 348.497 3.347 10 0 EGAELP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1scnc1C ZINC000426566615 457855798 /nfs/dbraw/zinc/85/57/98/457855798.db2.gz GYAHEHCVEFDJTP-UHFFFAOYSA-N 2 2 348.497 3.347 10 0 EGAELP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCN1CC(F)F ZINC000361866054 457917092 /nfs/dbraw/zinc/91/70/92/457917092.db2.gz SHHXQZMENNKGCL-KRWDZBQOSA-N 2 2 348.441 3.342 10 0 EGAELP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCN1CC(F)F ZINC000361866054 457917098 /nfs/dbraw/zinc/91/70/98/457917098.db2.gz SHHXQZMENNKGCL-KRWDZBQOSA-N 2 2 348.441 3.342 10 0 EGAELP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444615711 457918418 /nfs/dbraw/zinc/91/84/18/457918418.db2.gz AURGCFCQRFPOFD-OALUTQOASA-N 2 2 336.520 3.306 10 0 EGAELP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444615711 457918426 /nfs/dbraw/zinc/91/84/26/457918426.db2.gz AURGCFCQRFPOFD-OALUTQOASA-N 2 2 336.520 3.306 10 0 EGAELP COC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000361922863 457956145 /nfs/dbraw/zinc/95/61/45/457956145.db2.gz CCMBEKOXAYGQQA-OYGLOCFBSA-N 2 2 331.504 3.087 10 0 EGAELP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000361922863 457956149 /nfs/dbraw/zinc/95/61/49/457956149.db2.gz CCMBEKOXAYGQQA-OYGLOCFBSA-N 2 2 331.504 3.087 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104003 458010444 /nfs/dbraw/zinc/01/04/44/458010444.db2.gz ZUBJEADRKMVIGZ-CMPLNLGQSA-N 2 2 329.835 3.158 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104003 458010450 /nfs/dbraw/zinc/01/04/50/458010450.db2.gz ZUBJEADRKMVIGZ-CMPLNLGQSA-N 2 2 329.835 3.158 10 0 EGAELP CCc1ccc2c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc(=O)oc2c1 ZINC000369343010 458181558 /nfs/dbraw/zinc/18/15/58/458181558.db2.gz JYKZONKFYPJOGX-UHFFFAOYSA-N 2 2 337.423 3.458 10 0 EGAELP COCCSCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376400830 458289649 /nfs/dbraw/zinc/28/96/49/458289649.db2.gz NNDUCFUMRRDDBM-INIZCTEOSA-N 2 2 337.533 3.169 10 0 EGAELP COCCSCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376400830 458289654 /nfs/dbraw/zinc/28/96/54/458289654.db2.gz NNDUCFUMRRDDBM-INIZCTEOSA-N 2 2 337.533 3.169 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423566261 458458628 /nfs/dbraw/zinc/45/86/28/458458628.db2.gz TXNKOHKPFKWXEQ-ABAIWWIYSA-N 2 2 327.241 3.307 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000424136770 458568273 /nfs/dbraw/zinc/56/82/73/458568273.db2.gz BFMCVMLCPDEHSF-INIZCTEOSA-N 2 2 346.862 3.403 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424281102 458602367 /nfs/dbraw/zinc/60/23/67/458602367.db2.gz MUHIIFGBDZWMHS-RFPBDILFSA-N 2 2 328.500 3.300 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424281102 458602375 /nfs/dbraw/zinc/60/23/75/458602375.db2.gz MUHIIFGBDZWMHS-RFPBDILFSA-N 2 2 328.500 3.300 10 0 EGAELP COc1ccc2nc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)sc2c1 ZINC000530552900 458788545 /nfs/dbraw/zinc/78/85/45/458788545.db2.gz VHMPRUSOYFWKGK-UHFFFAOYSA-N 2 2 328.441 3.408 10 0 EGAELP COc1ccc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)sc2c1 ZINC000530552900 458788551 /nfs/dbraw/zinc/78/85/51/458788551.db2.gz VHMPRUSOYFWKGK-UHFFFAOYSA-N 2 2 328.441 3.408 10 0 EGAELP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000518334100 458857884 /nfs/dbraw/zinc/85/78/84/458857884.db2.gz DBRCVJPRIXEYLG-UHFFFAOYSA-N 2 2 342.487 3.213 10 0 EGAELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000518334100 458857887 /nfs/dbraw/zinc/85/78/87/458857887.db2.gz DBRCVJPRIXEYLG-UHFFFAOYSA-N 2 2 342.487 3.213 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC=CCC2)cc1 ZINC000475491146 458947709 /nfs/dbraw/zinc/94/77/09/458947709.db2.gz HDGSWLCJQJGSQK-QGZVFWFLSA-N 2 2 329.488 3.379 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC=CCC2)cc1 ZINC000475491146 458947718 /nfs/dbraw/zinc/94/77/18/458947718.db2.gz HDGSWLCJQJGSQK-QGZVFWFLSA-N 2 2 329.488 3.379 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000519773114 459002574 /nfs/dbraw/zinc/00/25/74/459002574.db2.gz KDMLXVQCGOVEOZ-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000519773114 459002579 /nfs/dbraw/zinc/00/25/79/459002579.db2.gz KDMLXVQCGOVEOZ-OAHLLOKOSA-N 2 2 338.455 3.167 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000577626918 459065006 /nfs/dbraw/zinc/06/50/06/459065006.db2.gz YVCHFAMYCVRIHA-MRXNPFEDSA-N 2 2 337.533 3.028 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000577626918 459065015 /nfs/dbraw/zinc/06/50/15/459065015.db2.gz YVCHFAMYCVRIHA-MRXNPFEDSA-N 2 2 337.533 3.028 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448111 459090776 /nfs/dbraw/zinc/09/07/76/459090776.db2.gz MQQOAPMAQIYDAF-UTKZUKDTSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448111 459090783 /nfs/dbraw/zinc/09/07/83/459090783.db2.gz MQQOAPMAQIYDAF-UTKZUKDTSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448111 459090787 /nfs/dbraw/zinc/09/07/87/459090787.db2.gz MQQOAPMAQIYDAF-UTKZUKDTSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000532448111 459090793 /nfs/dbraw/zinc/09/07/93/459090793.db2.gz MQQOAPMAQIYDAF-UTKZUKDTSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514666 459105273 /nfs/dbraw/zinc/10/52/73/459105273.db2.gz MTLAZMIZKIKUSG-HNAYVOBHSA-N 3 2 335.923 3.092 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514666 459105277 /nfs/dbraw/zinc/10/52/77/459105277.db2.gz MTLAZMIZKIKUSG-HNAYVOBHSA-N 3 2 335.923 3.092 10 0 EGAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000594956822 459192613 /nfs/dbraw/zinc/19/26/13/459192613.db2.gz OHFWESAROIERII-AITUJVMLSA-N 2 2 341.455 3.028 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535694 459203987 /nfs/dbraw/zinc/20/39/87/459203987.db2.gz LMJPJFPUWXRXGD-TYPHKJRUSA-N 3 2 331.548 3.463 10 0 EGAELP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535694 459203991 /nfs/dbraw/zinc/20/39/91/459203991.db2.gz LMJPJFPUWXRXGD-TYPHKJRUSA-N 3 2 331.548 3.463 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000595005466 459212932 /nfs/dbraw/zinc/21/29/32/459212932.db2.gz ZRINAZDXDPMHDS-AWEZNQCLSA-N 2 2 331.460 3.302 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000595010487 459214929 /nfs/dbraw/zinc/21/49/29/459214929.db2.gz WVBPAYHRRQADEN-IRXDYDNUSA-N 2 2 346.515 3.391 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000595010487 459214935 /nfs/dbraw/zinc/21/49/35/459214935.db2.gz WVBPAYHRRQADEN-IRXDYDNUSA-N 2 2 346.515 3.391 10 0 EGAELP Cc1[nH+]ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)c1Br ZINC000568940242 459368642 /nfs/dbraw/zinc/36/86/42/459368642.db2.gz NMJUQHZTMFKDIG-UHFFFAOYSA-N 2 2 349.276 3.426 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605604 459393696 /nfs/dbraw/zinc/39/36/96/459393696.db2.gz HNXWZGJFUMCNIX-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605604 459393699 /nfs/dbraw/zinc/39/36/99/459393699.db2.gz HNXWZGJFUMCNIX-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000592525470 459625104 /nfs/dbraw/zinc/62/51/04/459625104.db2.gz MHSUXRDWYXNZDR-FQEVSTJZSA-N 2 2 336.520 3.353 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325114 459628409 /nfs/dbraw/zinc/62/84/09/459628409.db2.gz JHWCAGXCMCTUEF-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325114 459628413 /nfs/dbraw/zinc/62/84/13/459628413.db2.gz JHWCAGXCMCTUEF-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325114 459628418 /nfs/dbraw/zinc/62/84/18/459628418.db2.gz JHWCAGXCMCTUEF-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000527325114 459628422 /nfs/dbraw/zinc/62/84/22/459628422.db2.gz JHWCAGXCMCTUEF-FXAWDEMLSA-N 2 2 326.488 3.094 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753989 459726929 /nfs/dbraw/zinc/72/69/29/459726929.db2.gz YETRMIQYPHCUJJ-GOSISDBHSA-N 2 2 325.456 3.437 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527753989 459726934 /nfs/dbraw/zinc/72/69/34/459726934.db2.gz YETRMIQYPHCUJJ-GOSISDBHSA-N 2 2 325.456 3.437 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809931 459745714 /nfs/dbraw/zinc/74/57/14/459745714.db2.gz UKVSDCMPBRYAJC-PLMTUMEDSA-N 2 2 349.478 3.238 10 0 EGAELP COC(=O)CCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000544350851 459750085 /nfs/dbraw/zinc/75/00/85/459750085.db2.gz ODYBLTVHYSYGSU-UHFFFAOYSA-N 2 2 333.457 3.099 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584782953 459801089 /nfs/dbraw/zinc/80/10/89/459801089.db2.gz YZONEHLDFLHPGX-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584782953 459801094 /nfs/dbraw/zinc/80/10/94/459801094.db2.gz YZONEHLDFLHPGX-INIZCTEOSA-N 2 2 339.277 3.033 10 0 EGAELP COC(=O)c1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1Cl ZINC000597049064 459824840 /nfs/dbraw/zinc/82/48/40/459824840.db2.gz KPBUPBDPHCPFED-UHFFFAOYSA-N 2 2 346.858 3.348 10 0 EGAELP COC(=O)c1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000597049064 459824845 /nfs/dbraw/zinc/82/48/45/459824845.db2.gz KPBUPBDPHCPFED-UHFFFAOYSA-N 2 2 346.858 3.348 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)CC3 ZINC000545896821 459868817 /nfs/dbraw/zinc/86/88/17/459868817.db2.gz QNSXVLVYWALQQF-JKSUJKDBSA-N 2 2 341.499 3.498 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)CC3 ZINC000545896821 459868819 /nfs/dbraw/zinc/86/88/19/459868819.db2.gz QNSXVLVYWALQQF-JKSUJKDBSA-N 2 2 341.499 3.498 10 0 EGAELP C[N@H+](CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCCC1 ZINC000546016595 459888304 /nfs/dbraw/zinc/88/83/04/459888304.db2.gz ZZVKUNXVFBNRCY-UHFFFAOYSA-N 2 2 348.878 3.259 10 0 EGAELP C[N@@H+](CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCCC1 ZINC000546016595 459888310 /nfs/dbraw/zinc/88/83/10/459888310.db2.gz ZZVKUNXVFBNRCY-UHFFFAOYSA-N 2 2 348.878 3.259 10 0 EGAELP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687110 459968180 /nfs/dbraw/zinc/96/81/80/459968180.db2.gz KLNNWPAEADZSBF-FUHWJXTLSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687110 459968185 /nfs/dbraw/zinc/96/81/85/459968185.db2.gz KLNNWPAEADZSBF-FUHWJXTLSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687110 459968190 /nfs/dbraw/zinc/96/81/90/459968190.db2.gz KLNNWPAEADZSBF-FUHWJXTLSA-N 2 2 330.447 3.311 10 0 EGAELP C[C@@H](c1ccccc1F)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687110 459968195 /nfs/dbraw/zinc/96/81/95/459968195.db2.gz KLNNWPAEADZSBF-FUHWJXTLSA-N 2 2 330.447 3.311 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690499 459971038 /nfs/dbraw/zinc/97/10/38/459971038.db2.gz DOIXHMQULBIUQL-SFTDATJTSA-N 2 2 342.458 3.456 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690499 459971041 /nfs/dbraw/zinc/97/10/41/459971041.db2.gz DOIXHMQULBIUQL-SFTDATJTSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690499 459971048 /nfs/dbraw/zinc/97/10/48/459971048.db2.gz DOIXHMQULBIUQL-SFTDATJTSA-N 2 2 342.458 3.456 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000588690499 459971053 /nfs/dbraw/zinc/97/10/53/459971053.db2.gz DOIXHMQULBIUQL-SFTDATJTSA-N 2 2 342.458 3.456 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@@H+]1C ZINC000621717395 460021877 /nfs/dbraw/zinc/02/18/77/460021877.db2.gz CFBLBRDBBOPOCF-IEBWSBKVSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@H+]1C ZINC000621717395 460021886 /nfs/dbraw/zinc/02/18/86/460021886.db2.gz CFBLBRDBBOPOCF-IEBWSBKVSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717395 460021891 /nfs/dbraw/zinc/02/18/91/460021891.db2.gz CFBLBRDBBOPOCF-IEBWSBKVSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717395 460021893 /nfs/dbraw/zinc/02/18/93/460021893.db2.gz CFBLBRDBBOPOCF-IEBWSBKVSA-N 2 2 326.488 3.040 10 0 EGAELP CC(=O)N1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000621761534 460054495 /nfs/dbraw/zinc/05/44/95/460054495.db2.gz HNEXYLFVLSOJIF-FAFZWHIHSA-N 2 2 327.472 3.091 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622044034 460169830 /nfs/dbraw/zinc/16/98/30/460169830.db2.gz SCSCIEDGBREGBK-CZUORRHYSA-N 2 2 342.405 3.441 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089337 460407963 /nfs/dbraw/zinc/40/79/63/460407963.db2.gz COQQLUDXERPZDS-UHFFFAOYSA-N 2 2 348.441 3.154 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360892 460509721 /nfs/dbraw/zinc/50/97/21/460509721.db2.gz CWHYREQKCNYITA-FQEVSTJZSA-N 3 2 329.532 3.422 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623360892 460509728 /nfs/dbraw/zinc/50/97/28/460509728.db2.gz CWHYREQKCNYITA-FQEVSTJZSA-N 3 2 329.532 3.422 10 0 EGAELP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(-c2cc3ccccc3o2)n1 ZINC000629384725 460745280 /nfs/dbraw/zinc/74/52/80/460745280.db2.gz BFSZQKDIVJQJEK-GOSISDBHSA-N 2 2 336.439 3.208 10 0 EGAELP CN(C)c1[nH+]cccc1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623855966 460745974 /nfs/dbraw/zinc/74/59/74/460745974.db2.gz LIHYHVVFTCPPFY-UHFFFAOYSA-N 2 2 346.438 3.070 10 0 EGAELP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000635345595 460749174 /nfs/dbraw/zinc/74/91/74/460749174.db2.gz PUWFJTVTEITHAP-QZTJIDSGSA-N 2 2 338.455 3.384 10 0 EGAELP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000635345595 460749178 /nfs/dbraw/zinc/74/91/78/460749178.db2.gz PUWFJTVTEITHAP-QZTJIDSGSA-N 2 2 338.455 3.384 10 0 EGAELP c1[nH+]cn2c1c(N1CCC([NH+]3CCCCC3)CC1)nc1ccccc12 ZINC000623872217 460754759 /nfs/dbraw/zinc/75/47/59/460754759.db2.gz ZKAXDJBHGGXPCS-UHFFFAOYSA-N 2 2 335.455 3.337 10 0 EGAELP COc1ncc(Br)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629523614 460794339 /nfs/dbraw/zinc/79/43/39/460794339.db2.gz IWRJEVBIQRLEGI-CABCVRRESA-N 2 2 348.244 3.087 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H]3CC=CCC3)c2cc1C ZINC000629597543 460821899 /nfs/dbraw/zinc/82/18/99/460821899.db2.gz MIJOAMGDBBRCEW-MSOLQXFVSA-N 2 2 327.472 3.350 10 0 EGAELP COc1ccc(-c2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000607739286 460895785 /nfs/dbraw/zinc/89/57/85/460895785.db2.gz ZEBPMAOWFPBKRZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000607739286 460895790 /nfs/dbraw/zinc/89/57/90/460895790.db2.gz ZEBPMAOWFPBKRZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000607739286 460895793 /nfs/dbraw/zinc/89/57/93/460895793.db2.gz ZEBPMAOWFPBKRZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000607739286 460895797 /nfs/dbraw/zinc/89/57/97/460895797.db2.gz ZEBPMAOWFPBKRZ-HOCLYGCPSA-N 2 2 329.444 3.265 10 0 EGAELP COCc1cc[nH+]c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000652330574 461132101 /nfs/dbraw/zinc/13/21/01/461132101.db2.gz JUDGEZCPRGZART-HNNXBMFYSA-N 2 2 329.444 3.342 10 0 EGAELP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257119 461143878 /nfs/dbraw/zinc/14/38/78/461143878.db2.gz APBLHCHHASLBBZ-AAEUAGOBSA-N 2 2 341.282 3.434 10 0 EGAELP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257119 461143887 /nfs/dbraw/zinc/14/38/87/461143887.db2.gz APBLHCHHASLBBZ-AAEUAGOBSA-N 2 2 341.282 3.434 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c[nH+]1 ZINC000662278798 461162975 /nfs/dbraw/zinc/16/29/75/461162975.db2.gz MANUVIPCUMZQMC-UHFFFAOYSA-N 3 2 338.499 3.221 10 0 EGAELP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662280883 461163747 /nfs/dbraw/zinc/16/37/47/461163747.db2.gz GSJKVHBRFDPSTB-PMACEKPBSA-N 2 2 340.467 3.002 10 0 EGAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649566181 461179366 /nfs/dbraw/zinc/17/93/66/461179366.db2.gz DTIRTUZDKGQZSI-IOMROCGXSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649566181 461179374 /nfs/dbraw/zinc/17/93/74/461179374.db2.gz DTIRTUZDKGQZSI-IOMROCGXSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649566181 461179382 /nfs/dbraw/zinc/17/93/82/461179382.db2.gz DTIRTUZDKGQZSI-IOMROCGXSA-N 2 2 344.547 3.017 10 0 EGAELP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000649566181 461179393 /nfs/dbraw/zinc/17/93/93/461179393.db2.gz DTIRTUZDKGQZSI-IOMROCGXSA-N 2 2 344.547 3.017 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000662322790 461193121 /nfs/dbraw/zinc/19/31/21/461193121.db2.gz IOIVOBBPORSSDU-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000662322790 461193129 /nfs/dbraw/zinc/19/31/29/461193129.db2.gz IOIVOBBPORSSDU-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc21 ZINC000662427353 461239336 /nfs/dbraw/zinc/23/93/36/461239336.db2.gz MSSNXOMYSUZOOA-FUHWJXTLSA-N 2 2 338.455 3.156 10 0 EGAELP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655723844 461392682 /nfs/dbraw/zinc/39/26/82/461392682.db2.gz UPJDTPMAXCGLAW-INIZCTEOSA-N 2 2 344.528 3.283 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655723844 461392690 /nfs/dbraw/zinc/39/26/90/461392690.db2.gz UPJDTPMAXCGLAW-INIZCTEOSA-N 2 2 344.528 3.283 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655789087 461446845 /nfs/dbraw/zinc/44/68/45/461446845.db2.gz VNBYWLPMSZKEBB-HOTGVXAUSA-N 2 2 334.426 3.341 10 0 EGAELP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000631035227 461487528 /nfs/dbraw/zinc/48/75/28/461487528.db2.gz DEFSZCFMNSPWDT-UHFFFAOYSA-N 2 2 328.431 3.256 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000631049099 461501978 /nfs/dbraw/zinc/50/19/78/461501978.db2.gz UOHSONZCJADUEY-UHFFFAOYSA-N 2 2 343.656 3.264 10 0 EGAELP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631076745 461525882 /nfs/dbraw/zinc/52/58/82/461525882.db2.gz QHVQLVXMLKAIMT-UHFFFAOYSA-N 2 2 337.471 3.292 10 0 EGAELP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccnn1-c1ccccn1)c1ccccc1 ZINC000647183369 461549910 /nfs/dbraw/zinc/54/99/10/461549910.db2.gz UPJKOZXEDNBDOY-QGZVFWFLSA-N 2 2 349.482 3.486 10 0 EGAELP COc1c(C)[nH+]cnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000656110413 461596668 /nfs/dbraw/zinc/59/66/68/461596668.db2.gz TYTSGCQIPVNOOY-UHFFFAOYSA-N 2 2 330.407 3.009 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000656139851 461618599 /nfs/dbraw/zinc/61/85/99/461618599.db2.gz IYPWFEKMRGDBNR-RHSMWYFYSA-N 2 2 326.444 3.259 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000656139851 461618606 /nfs/dbraw/zinc/61/86/06/461618606.db2.gz IYPWFEKMRGDBNR-RHSMWYFYSA-N 2 2 326.444 3.259 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343527 461646877 /nfs/dbraw/zinc/64/68/77/461646877.db2.gz VGNKGXQCTSDXEF-KANFNMMFSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343527 461646883 /nfs/dbraw/zinc/64/68/83/461646883.db2.gz VGNKGXQCTSDXEF-KANFNMMFSA-N 2 2 331.504 3.228 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000643290311 461669589 /nfs/dbraw/zinc/66/95/89/461669589.db2.gz CWFJJFKCUHSYBQ-OAHLLOKOSA-N 2 2 343.862 3.189 10 0 EGAELP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000663499723 461672588 /nfs/dbraw/zinc/67/25/88/461672588.db2.gz LJVDZCJJSAEAQE-CQSZACIVSA-N 2 2 342.274 3.037 10 0 EGAELP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000647479642 461725574 /nfs/dbraw/zinc/72/55/74/461725574.db2.gz OCMFUWHYFCFWAD-OCCSQVGLSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000647479642 461725582 /nfs/dbraw/zinc/72/55/82/461725582.db2.gz OCMFUWHYFCFWAD-OCCSQVGLSA-N 2 2 339.277 3.119 10 0 EGAELP Cn1c2ccccc2cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1=O ZINC000653594134 461747413 /nfs/dbraw/zinc/74/74/13/461747413.db2.gz AEOSTQPHERYRHJ-UHFFFAOYSA-N 2 2 348.450 3.010 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702123 461849400 /nfs/dbraw/zinc/84/94/00/461849400.db2.gz LRVRTYYFJXDYAU-CVEARBPZSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000656702123 461849409 /nfs/dbraw/zinc/84/94/09/461849409.db2.gz LRVRTYYFJXDYAU-CVEARBPZSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000656701877 461849459 /nfs/dbraw/zinc/84/94/59/461849459.db2.gz FBKVHUATIAODNN-VQTJNVASSA-N 2 2 326.484 3.206 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000656701877 461849467 /nfs/dbraw/zinc/84/94/67/461849467.db2.gz FBKVHUATIAODNN-VQTJNVASSA-N 2 2 326.484 3.206 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900420 461876355 /nfs/dbraw/zinc/87/63/55/461876355.db2.gz AYBTYIGVTKUKNO-MSOLQXFVSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900420 461876364 /nfs/dbraw/zinc/87/63/64/461876364.db2.gz AYBTYIGVTKUKNO-MSOLQXFVSA-N 2 2 340.471 3.263 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902858 461878123 /nfs/dbraw/zinc/87/81/23/461878123.db2.gz CTVSXNPNOBWCNC-WBVHZDCISA-N 2 2 344.434 3.148 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902858 461878128 /nfs/dbraw/zinc/87/81/28/461878128.db2.gz CTVSXNPNOBWCNC-WBVHZDCISA-N 2 2 344.434 3.148 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644736180 462056148 /nfs/dbraw/zinc/05/61/48/462056148.db2.gz HUXAGKJIJOJNPC-PXNSSMCTSA-N 2 2 326.488 3.151 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644736180 462056152 /nfs/dbraw/zinc/05/61/52/462056152.db2.gz HUXAGKJIJOJNPC-PXNSSMCTSA-N 2 2 326.488 3.151 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549179 462136489 /nfs/dbraw/zinc/13/64/89/462136489.db2.gz FAYUMIVIYXDRIT-PKOBYXMFSA-N 2 2 338.499 3.487 10 0 EGAELP CCN(Cc1c[nH+]c2n1CCC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549179 462136497 /nfs/dbraw/zinc/13/64/97/462136497.db2.gz FAYUMIVIYXDRIT-PKOBYXMFSA-N 2 2 338.499 3.487 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657461012 462137804 /nfs/dbraw/zinc/13/78/04/462137804.db2.gz COQRAZJEZPIVGB-FQEVSTJZSA-N 2 2 338.499 3.220 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657461012 462137809 /nfs/dbraw/zinc/13/78/09/462137809.db2.gz COQRAZJEZPIVGB-FQEVSTJZSA-N 2 2 338.499 3.220 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000657480780 462149307 /nfs/dbraw/zinc/14/93/07/462149307.db2.gz WBHWQQUZHRLBGY-GOSISDBHSA-N 2 2 345.512 3.055 10 0 EGAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000657480780 462149312 /nfs/dbraw/zinc/14/93/12/462149312.db2.gz WBHWQQUZHRLBGY-GOSISDBHSA-N 2 2 345.512 3.055 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000667667221 462201750 /nfs/dbraw/zinc/20/17/50/462201750.db2.gz HWJCBLWTOYEVQQ-SMDDNHRTSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000667667221 462201754 /nfs/dbraw/zinc/20/17/54/462201754.db2.gz HWJCBLWTOYEVQQ-SMDDNHRTSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000667667221 462201759 /nfs/dbraw/zinc/20/17/59/462201759.db2.gz HWJCBLWTOYEVQQ-SMDDNHRTSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000667667221 462201763 /nfs/dbraw/zinc/20/17/63/462201763.db2.gz HWJCBLWTOYEVQQ-SMDDNHRTSA-N 2 2 326.282 3.067 10 0 EGAELP CC[C@@H](O)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000667672216 462204757 /nfs/dbraw/zinc/20/47/57/462204757.db2.gz OIZMQYJHGHGIKG-HXUWFJFHSA-N 2 2 336.439 3.040 10 0 EGAELP CC[C@@H](O)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000667672216 462204764 /nfs/dbraw/zinc/20/47/64/462204764.db2.gz OIZMQYJHGHGIKG-HXUWFJFHSA-N 2 2 336.439 3.040 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)COc3c(F)cccc3F)n2c1 ZINC000657628874 462210592 /nfs/dbraw/zinc/21/05/92/462210592.db2.gz ZLSOVZSUKRBODA-CYBMUJFWSA-N 2 2 331.366 3.478 10 0 EGAELP OC1CCC(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000657740156 462246603 /nfs/dbraw/zinc/24/66/03/462246603.db2.gz GMIHFDFBVDHIJT-UHFFFAOYSA-N 2 2 336.907 3.445 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657836624 462290062 /nfs/dbraw/zinc/29/00/62/462290062.db2.gz WWLTXJHMUCEXPJ-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657836624 462290067 /nfs/dbraw/zinc/29/00/67/462290067.db2.gz WWLTXJHMUCEXPJ-NHCUHLMSSA-N 2 2 346.515 3.072 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661535340 462297862 /nfs/dbraw/zinc/29/78/62/462297862.db2.gz JDBTVQRNZLCINL-CYBMUJFWSA-N 2 2 339.365 3.228 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661535340 462297870 /nfs/dbraw/zinc/29/78/70/462297870.db2.gz JDBTVQRNZLCINL-CYBMUJFWSA-N 2 2 339.365 3.228 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657872665 462304047 /nfs/dbraw/zinc/30/40/47/462304047.db2.gz SAIVRHDBGMRDRI-QMMLZNLJSA-N 2 2 346.515 3.243 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657872665 462304052 /nfs/dbraw/zinc/30/40/52/462304052.db2.gz SAIVRHDBGMRDRI-QMMLZNLJSA-N 2 2 346.515 3.243 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000658056500 462358398 /nfs/dbraw/zinc/35/83/98/462358398.db2.gz LNPQRMCVBWBEAJ-ZGOJQLDESA-N 2 2 341.499 3.282 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000658056500 462358408 /nfs/dbraw/zinc/35/84/08/462358408.db2.gz LNPQRMCVBWBEAJ-ZGOJQLDESA-N 2 2 341.499 3.282 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055802 462360100 /nfs/dbraw/zinc/36/01/00/462360100.db2.gz JLYBURXYMLCAOP-BBRMVZONSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055802 462360107 /nfs/dbraw/zinc/36/01/07/462360107.db2.gz JLYBURXYMLCAOP-BBRMVZONSA-N 2 2 333.476 3.177 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058846 462360994 /nfs/dbraw/zinc/36/09/94/462360994.db2.gz VCAYGXANUGDIRW-APWZRJJASA-N 2 2 331.504 3.047 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(N2CCOCC2)c1 ZINC000658058846 462360998 /nfs/dbraw/zinc/36/09/98/462360998.db2.gz VCAYGXANUGDIRW-APWZRJJASA-N 2 2 331.504 3.047 10 0 EGAELP Cc1nc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cs1 ZINC000668001672 462369025 /nfs/dbraw/zinc/36/90/25/462369025.db2.gz YEGYYELWEVJRMN-QGZVFWFLSA-N 2 2 325.441 3.369 10 0 EGAELP Cc1nc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cs1 ZINC000668001672 462369033 /nfs/dbraw/zinc/36/90/33/462369033.db2.gz YEGYYELWEVJRMN-QGZVFWFLSA-N 2 2 325.441 3.369 10 0 EGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000665252729 462369935 /nfs/dbraw/zinc/36/99/35/462369935.db2.gz XQNXWFHLHVSRBD-MAODMQOUSA-N 2 2 347.466 3.064 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnc(C)s2)cc1 ZINC000665256415 462373035 /nfs/dbraw/zinc/37/30/35/462373035.db2.gz ZFHZYYHGLVRWIR-ZLIFDBKOSA-N 2 2 331.485 3.256 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277051 462379837 /nfs/dbraw/zinc/37/98/37/462379837.db2.gz RTDUMTRDGRLIDX-HBMCJLEFSA-N 3 2 341.543 3.409 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277051 462379844 /nfs/dbraw/zinc/37/98/44/462379844.db2.gz RTDUMTRDGRLIDX-HBMCJLEFSA-N 3 2 341.543 3.409 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928653 462382478 /nfs/dbraw/zinc/38/24/78/462382478.db2.gz OKEGZGWIBSLAJL-RTWAWAEBSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928653 462382482 /nfs/dbraw/zinc/38/24/82/462382482.db2.gz OKEGZGWIBSLAJL-RTWAWAEBSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000655155102 462500742 /nfs/dbraw/zinc/50/07/42/462500742.db2.gz GXLUNSBXNBZRSD-HNNXBMFYSA-N 2 2 348.450 3.434 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)C1 ZINC000655155102 462500744 /nfs/dbraw/zinc/50/07/44/462500744.db2.gz GXLUNSBXNBZRSD-HNNXBMFYSA-N 2 2 348.450 3.434 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594215 469588221 /nfs/dbraw/zinc/58/82/21/469588221.db2.gz MGZDMDZVEMSEEF-SJLPKXTDSA-N 2 2 342.487 3.075 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171922951 527815572 /nfs/dbraw/zinc/81/55/72/527815572.db2.gz MHSBJHJDKQYBDX-VQIMIIECSA-N 2 2 339.439 3.120 10 0 EGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171922951 527815580 /nfs/dbraw/zinc/81/55/80/527815580.db2.gz MHSBJHJDKQYBDX-VQIMIIECSA-N 2 2 339.439 3.120 10 0 EGAELP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000181475487 528132591 /nfs/dbraw/zinc/13/25/91/528132591.db2.gz VHBOCHJGPARNCC-DLBZAZTESA-N 2 2 328.460 3.197 10 0 EGAELP COC(=O)c1cc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2o1 ZINC000172781594 536589397 /nfs/dbraw/zinc/58/93/97/536589397.db2.gz VQGXMMASEKKJFO-UHFFFAOYSA-N 2 2 342.439 3.280 10 0 EGAELP CCc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(C)[nH+]1 ZINC000282000876 547379699 /nfs/dbraw/zinc/37/96/99/547379699.db2.gz UFNVKSIXWJJRQV-HNNXBMFYSA-N 2 2 325.460 3.264 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714638 548603027 /nfs/dbraw/zinc/60/30/27/548603027.db2.gz FEVBQJWZHFDJOI-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714638 548603028 /nfs/dbraw/zinc/60/30/28/548603028.db2.gz FEVBQJWZHFDJOI-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714638 548603031 /nfs/dbraw/zinc/60/30/31/548603031.db2.gz FEVBQJWZHFDJOI-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3C)no2)[C@@H](C)C1 ZINC000673714638 548603034 /nfs/dbraw/zinc/60/30/34/548603034.db2.gz FEVBQJWZHFDJOI-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768382 548977364 /nfs/dbraw/zinc/97/73/64/548977364.db2.gz XBIPETABUZVJBT-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768382 548977369 /nfs/dbraw/zinc/97/73/69/548977369.db2.gz XBIPETABUZVJBT-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP COc1cccc(F)c1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880613 548995364 /nfs/dbraw/zinc/99/53/64/548995364.db2.gz GKZIDCOMVUHMNV-ZBFHGGJFSA-N 2 2 336.451 3.128 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000675918364 549004052 /nfs/dbraw/zinc/00/40/52/549004052.db2.gz GZELSXLWIRNJLS-ROUUACIJSA-N 2 2 335.455 3.105 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000679769759 549774163 /nfs/dbraw/zinc/77/41/63/549774163.db2.gz LBTPKMGQVUSTMT-SFHVURJKSA-N 2 2 326.431 3.362 10 0 EGAELP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)Nc1ccccc1 ZINC000680119395 549823741 /nfs/dbraw/zinc/82/37/41/549823741.db2.gz DMCQRPKMKCXZJC-UHFFFAOYSA-N 2 2 340.452 3.441 10 0 EGAELP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710175 550029817 /nfs/dbraw/zinc/02/98/17/550029817.db2.gz VCNKDKROKNAFNK-PXNSSMCTSA-N 2 2 346.540 3.494 10 0 EGAELP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710175 550029818 /nfs/dbraw/zinc/02/98/18/550029818.db2.gz VCNKDKROKNAFNK-PXNSSMCTSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710175 550029819 /nfs/dbraw/zinc/02/98/19/550029819.db2.gz VCNKDKROKNAFNK-PXNSSMCTSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000681710175 550029820 /nfs/dbraw/zinc/02/98/20/550029820.db2.gz VCNKDKROKNAFNK-PXNSSMCTSA-N 2 2 346.540 3.494 10 0 EGAELP OC[C@@]1([NH2+][C@H]2CCC23CCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000682733582 550137636 /nfs/dbraw/zinc/13/76/36/550137636.db2.gz RHBDUYGHKUNYQU-PZJWPPBQSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@@]1([NH2+][C@H]2CCC23CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682733582 550137637 /nfs/dbraw/zinc/13/76/37/550137637.db2.gz RHBDUYGHKUNYQU-PZJWPPBQSA-N 2 2 328.500 3.326 10 0 EGAELP Cc1cc(C)cc(C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000683523890 550238822 /nfs/dbraw/zinc/23/88/22/550238822.db2.gz CQWYARBNYOMVLM-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000683523890 550238824 /nfs/dbraw/zinc/23/88/24/550238824.db2.gz CQWYARBNYOMVLM-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000683523890 550238826 /nfs/dbraw/zinc/23/88/26/550238826.db2.gz CQWYARBNYOMVLM-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000683523890 550238828 /nfs/dbraw/zinc/23/88/28/550238828.db2.gz CQWYARBNYOMVLM-NRFANRHFSA-N 2 2 326.484 3.228 10 0 EGAELP Fc1cccn2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc12 ZINC000684410372 550326773 /nfs/dbraw/zinc/32/67/73/550326773.db2.gz SKZUORJHHKJUJK-KRWDZBQOSA-N 2 2 338.430 3.085 10 0 EGAELP Fc1cccn2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000684410372 550326775 /nfs/dbraw/zinc/32/67/75/550326775.db2.gz SKZUORJHHKJUJK-KRWDZBQOSA-N 2 2 338.430 3.085 10 0 EGAELP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccoc3)CC2)c1 ZINC000730575659 575003121 /nfs/dbraw/zinc/00/31/21/575003121.db2.gz SDXRRWUTEGXZMM-UHFFFAOYSA-N 2 2 333.863 3.235 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432403 1298317694 /nfs/dbraw/zinc/31/76/94/1298317694.db2.gz AJSSHAAGYFRUSY-IRUJWGPZSA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432403 1298317703 /nfs/dbraw/zinc/31/77/03/1298317703.db2.gz AJSSHAAGYFRUSY-IRUJWGPZSA-N 2 2 329.669 3.272 10 0 EGAELP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000072577228 1292281397 /nfs/dbraw/zinc/28/13/97/1292281397.db2.gz JEGUEWAZEUVRLZ-UHFFFAOYSA-N 2 2 341.430 3.018 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872052869 1296702903 /nfs/dbraw/zinc/70/29/03/1296702903.db2.gz RCSBGFAFALXODT-HQRMLTQVSA-N 2 2 331.504 3.402 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872151965 1296770537 /nfs/dbraw/zinc/77/05/37/1296770537.db2.gz ODEJQXNNFFAVQH-GXTWGEPZSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872151965 1296770548 /nfs/dbraw/zinc/77/05/48/1296770548.db2.gz ODEJQXNNFFAVQH-GXTWGEPZSA-N 2 2 343.780 3.457 10 0 EGAELP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000381391087 1297551647 /nfs/dbraw/zinc/55/16/47/1297551647.db2.gz UTSZXOLAVJLAMP-FQEVSTJZSA-N 2 2 342.483 3.058 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)c[nH+]1 ZINC000878402356 1299976048 /nfs/dbraw/zinc/97/60/48/1299976048.db2.gz HSAOCFKRRBYJPY-UHFFFAOYSA-N 2 2 328.460 3.442 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551354 1300070183 /nfs/dbraw/zinc/07/01/83/1300070183.db2.gz AYJOKQFMDLDRET-ACRUOGEOSA-N 2 2 344.499 3.093 10 0 EGAELP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)O2)cc1 ZINC000878551354 1300070197 /nfs/dbraw/zinc/07/01/97/1300070197.db2.gz AYJOKQFMDLDRET-ACRUOGEOSA-N 2 2 344.499 3.093 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)c12 ZINC000892778534 1305550212 /nfs/dbraw/zinc/55/02/12/1305550212.db2.gz ZHACMMSFJZVYAL-NRFANRHFSA-N 2 2 347.466 3.222 10 0 EGAELP c1[nH+]cn2ccnc(N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)c12 ZINC000892778534 1305550217 /nfs/dbraw/zinc/55/02/17/1305550217.db2.gz ZHACMMSFJZVYAL-NRFANRHFSA-N 2 2 347.466 3.222 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894172317 1306259921 /nfs/dbraw/zinc/25/99/21/1306259921.db2.gz ADNKOCOJKAVJTP-MGNMYUMUSA-N 2 2 348.491 3.039 10 0 EGAELP COC(=O)c1cnc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000894206566 1306276561 /nfs/dbraw/zinc/27/65/61/1306276561.db2.gz GJKVLBGXMOFSOP-UHFFFAOYSA-N 2 2 347.484 3.060 10 0 EGAELP COC(=O)c1cnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000894206566 1306276567 /nfs/dbraw/zinc/27/65/67/1306276567.db2.gz GJKVLBGXMOFSOP-UHFFFAOYSA-N 2 2 347.484 3.060 10 0 EGAELP C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558525 1309399968 /nfs/dbraw/zinc/39/99/68/1309399968.db2.gz XIEAIJBYJKRUGR-INIZCTEOSA-N 2 2 333.439 3.182 10 0 EGAELP C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558525 1309399975 /nfs/dbraw/zinc/39/99/75/1309399975.db2.gz XIEAIJBYJKRUGR-INIZCTEOSA-N 2 2 333.439 3.182 10 0 EGAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896122904 1309709931 /nfs/dbraw/zinc/70/99/31/1309709931.db2.gz QTGNTIMISMOVFP-UHFFFAOYSA-N 2 2 342.487 3.037 10 0 EGAELP c1csc(C[C@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000896527190 1309901581 /nfs/dbraw/zinc/90/15/81/1309901581.db2.gz CMPRPSIKCQZJKY-OAHLLOKOSA-N 2 2 339.468 3.179 10 0 EGAELP c1csc(C[C@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000896527190 1309901586 /nfs/dbraw/zinc/90/15/86/1309901586.db2.gz CMPRPSIKCQZJKY-OAHLLOKOSA-N 2 2 339.468 3.179 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699745 /nfs/dbraw/zinc/69/97/45/1328699745.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699748 /nfs/dbraw/zinc/69/97/48/1328699748.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699753 /nfs/dbraw/zinc/69/97/53/1328699753.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699757 /nfs/dbraw/zinc/69/97/57/1328699757.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 2 2 326.282 3.067 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)n(C)n1 ZINC000859249864 1328954447 /nfs/dbraw/zinc/95/44/47/1328954447.db2.gz BDWVCRRPRHOPNW-QWHZDKJVSA-N 2 2 346.906 3.320 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)n(C)n1 ZINC000859249864 1328954449 /nfs/dbraw/zinc/95/44/49/1328954449.db2.gz BDWVCRRPRHOPNW-QWHZDKJVSA-N 2 2 346.906 3.320 10 0 EGAELP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1F ZINC000920425469 1322175991 /nfs/dbraw/zinc/17/59/91/1322175991.db2.gz KLIYUFJBWATRIL-GOSISDBHSA-N 2 2 347.340 3.113 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742227 1322607291 /nfs/dbraw/zinc/60/72/91/1322607291.db2.gz GFIZNYVXOXKBSN-PMACEKPBSA-N 2 2 346.515 3.215 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922742227 1322607296 /nfs/dbraw/zinc/60/72/96/1322607296.db2.gz GFIZNYVXOXKBSN-PMACEKPBSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000924861161 1323190948 /nfs/dbraw/zinc/19/09/48/1323190948.db2.gz ISJAIIUEFYARLK-MRXNPFEDSA-N 2 2 342.487 3.011 10 0 EGAELP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000925015723 1323245207 /nfs/dbraw/zinc/24/52/07/1323245207.db2.gz KTPLDENFJNMRBO-FGZHOGPDSA-N 2 2 335.495 3.309 10 0 EGAELP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000925015723 1323245216 /nfs/dbraw/zinc/24/52/16/1323245216.db2.gz KTPLDENFJNMRBO-FGZHOGPDSA-N 2 2 335.495 3.309 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925084787 1323274140 /nfs/dbraw/zinc/27/41/40/1323274140.db2.gz XJVGQBDWSXRPQG-SLFFLAALSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925084787 1323274146 /nfs/dbraw/zinc/27/41/46/1323274146.db2.gz XJVGQBDWSXRPQG-SLFFLAALSA-N 2 2 332.488 3.114 10 0 EGAELP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)SC1CCCCC1 ZINC000931287606 1329086287 /nfs/dbraw/zinc/08/62/87/1329086287.db2.gz SQHGUVLOTHJAFL-UHFFFAOYSA-N 2 2 326.550 3.239 10 0 EGAELP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)SC1CCCCC1 ZINC000931287606 1329086291 /nfs/dbraw/zinc/08/62/91/1329086291.db2.gz SQHGUVLOTHJAFL-UHFFFAOYSA-N 2 2 326.550 3.239 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931319739 1329092804 /nfs/dbraw/zinc/09/28/04/1329092804.db2.gz YTUUBRKPNOSWSH-BGYRXZFFSA-N 2 2 325.456 3.424 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931319739 1329092810 /nfs/dbraw/zinc/09/28/10/1329092810.db2.gz YTUUBRKPNOSWSH-BGYRXZFFSA-N 2 2 325.456 3.424 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319739 1329092814 /nfs/dbraw/zinc/09/28/14/1329092814.db2.gz YTUUBRKPNOSWSH-BGYRXZFFSA-N 2 2 325.456 3.424 10 0 EGAELP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319739 1329092818 /nfs/dbraw/zinc/09/28/18/1329092818.db2.gz YTUUBRKPNOSWSH-BGYRXZFFSA-N 2 2 325.456 3.424 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000931707096 1329168147 /nfs/dbraw/zinc/16/81/47/1329168147.db2.gz MYFPMIPYIMJIDG-XHSDSOJGSA-N 2 2 339.361 3.324 10 0 EGAELP Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925532505 1325195479 /nfs/dbraw/zinc/19/54/79/1325195479.db2.gz GVKJZVAMYZERCF-YESZJQIVSA-N 2 2 330.451 3.144 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540166 1325198689 /nfs/dbraw/zinc/19/86/89/1325198689.db2.gz AKYSXEMJIJOQDU-KPACCLEDSA-N 3 2 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/nfs/dbraw/zinc/47/71/04/1387477104.db2.gz FNTKEKMWOHOAIH-FBQMEGEOSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856946 1387477107 /nfs/dbraw/zinc/47/71/07/1387477107.db2.gz FNTKEKMWOHOAIH-FBQMEGEOSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856946 1387477111 /nfs/dbraw/zinc/47/71/11/1387477111.db2.gz FNTKEKMWOHOAIH-FBQMEGEOSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856946 1387477112 /nfs/dbraw/zinc/47/71/12/1387477112.db2.gz FNTKEKMWOHOAIH-FBQMEGEOSA-N 2 2 344.503 3.013 10 0 EGAELP C[C@@]1(CNC(=O)CCCn2cc[nH+]c2)CCC[N@H+](CC2CCCC2)C1 ZINC001324983839 1387871620 /nfs/dbraw/zinc/87/16/20/1387871620.db2.gz RLHHIDHCBDABDZ-FQEVSTJZSA-N 2 2 346.519 3.072 10 0 EGAELP C[C@@]1(CNC(=O)CCCn2cc[nH+]c2)CCC[N@@H+](CC2CCCC2)C1 ZINC001324983839 1387871630 /nfs/dbraw/zinc/87/16/30/1387871630.db2.gz RLHHIDHCBDABDZ-FQEVSTJZSA-N 2 2 346.519 3.072 10 0 EGAELP c1nc([C@H]2CCCO2)sc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001200076357 1369313031 /nfs/dbraw/zinc/31/30/31/1369313031.db2.gz HVFADPITWQFYJH-OAHLLOKOSA-N 2 2 332.473 3.372 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899097 1388072411 /nfs/dbraw/zinc/07/24/11/1388072411.db2.gz KGVCJIPZFAAZAK-WWAPKCSDSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899097 1388072414 /nfs/dbraw/zinc/07/24/14/1388072414.db2.gz KGVCJIPZFAAZAK-WWAPKCSDSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899097 1388072418 /nfs/dbraw/zinc/07/24/18/1388072418.db2.gz KGVCJIPZFAAZAK-WWAPKCSDSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899097 1388072426 /nfs/dbraw/zinc/07/24/26/1388072426.db2.gz KGVCJIPZFAAZAK-WWAPKCSDSA-N 2 2 344.503 3.154 10 0 EGAELP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119631577 1371379361 /nfs/dbraw/zinc/37/93/61/1371379361.db2.gz YJIIHIWBDDFCFR-KXBFYZLASA-N 2 2 339.483 3.294 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001119771873 1371403048 /nfs/dbraw/zinc/40/30/48/1371403048.db2.gz SMBYDBCIOKPBBZ-ZNMIVQPWSA-N 2 2 345.409 3.175 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001119771873 1371403050 /nfs/dbraw/zinc/40/30/50/1371403050.db2.gz SMBYDBCIOKPBBZ-ZNMIVQPWSA-N 2 2 345.409 3.175 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001326380259 1388171425 /nfs/dbraw/zinc/17/14/25/1388171425.db2.gz JHOXRMMPHGNMCY-MJGOQNOKSA-N 2 2 344.503 3.163 10 0 EGAELP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001326531796 1388232114 /nfs/dbraw/zinc/23/21/14/1388232114.db2.gz VSHGQEDPNYKLKC-WKILWMFISA-N 2 2 328.460 3.013 10 0 EGAELP CC/C=C/CC[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001327213926 1388448356 /nfs/dbraw/zinc/44/83/56/1388448356.db2.gz YSFVLWLCIYJKRG-VOTSOKGWSA-N 2 2 342.487 3.393 10 0 EGAELP CC/C=C/CC[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001327213926 1388448360 /nfs/dbraw/zinc/44/83/60/1388448360.db2.gz YSFVLWLCIYJKRG-VOTSOKGWSA-N 2 2 342.487 3.393 10 0 EGAELP CCCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278979340 1378294520 /nfs/dbraw/zinc/29/45/20/1378294520.db2.gz YUZVDQLWSLDGOL-IAGOWNOFSA-N 2 2 348.535 3.146 10 0 EGAELP CC1(C)C[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001282846704 1378639648 /nfs/dbraw/zinc/63/96/48/1378639648.db2.gz WXGGCTMLKJDLRZ-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CC2CCCCC2)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001282846704 1378639654 /nfs/dbraw/zinc/63/96/54/1378639654.db2.gz WXGGCTMLKJDLRZ-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284538301 1379945060 /nfs/dbraw/zinc/94/50/60/1379945060.db2.gz UMOJVRWWCGALRM-CQSZACIVSA-N 2 2 334.439 3.093 10 0 EGAELP CC(C)N(CC[N@H+](C)CC[C@@H](C)F)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284538301 1379945061 /nfs/dbraw/zinc/94/50/61/1379945061.db2.gz UMOJVRWWCGALRM-CQSZACIVSA-N 2 2 334.439 3.093 10 0 EGAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001284599057 1379999731 /nfs/dbraw/zinc/99/97/31/1379999731.db2.gz RRZYHBKYSFIRDM-IAGOWNOFSA-N 2 2 336.524 3.247 10 0 EGAELP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284699407 1380114699 /nfs/dbraw/zinc/11/46/99/1380114699.db2.gz HNSZKJMGYXHFNC-HQYUYXFKSA-N 2 2 346.519 3.407 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(C[NH+](C)C)o3)ccc21 ZINC001158517647 1381276051 /nfs/dbraw/zinc/27/60/51/1381276051.db2.gz OWUGAEJSHJSDGZ-UHFFFAOYSA-N 2 2 338.411 3.208 10 0 EGAELP C/C(=C\C1CCC(C)CC1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001292959260 1382238476 /nfs/dbraw/zinc/23/84/76/1382238476.db2.gz XYLGKHCWRUVSAB-FBMGVBCBSA-N 2 2 349.563 3.243 10 0 EGAELP C/C(=C\C1CCC(C)CC1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001292959260 1382238480 /nfs/dbraw/zinc/23/84/80/1382238480.db2.gz XYLGKHCWRUVSAB-FBMGVBCBSA-N 2 2 349.563 3.243 10 0 EGAELP CC(C)OC(=O)CC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009964 1384074474 /nfs/dbraw/zinc/07/44/74/1384074474.db2.gz WGLPSMBLRFHTAF-OYRHEFFESA-N 2 2 344.499 3.172 10 0 EGAELP CC(C)OC(=O)CC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009964 1384074479 /nfs/dbraw/zinc/07/44/79/1384074479.db2.gz WGLPSMBLRFHTAF-OYRHEFFESA-N 2 2 344.499 3.172 10 0 EGAELP CC(C)OC(=O)CC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009964 1384074486 /nfs/dbraw/zinc/07/44/86/1384074486.db2.gz WGLPSMBLRFHTAF-OYRHEFFESA-N 2 2 344.499 3.172 10 0 EGAELP CC(C)OC(=O)CC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009964 1384074493 /nfs/dbraw/zinc/07/44/93/1384074493.db2.gz WGLPSMBLRFHTAF-OYRHEFFESA-N 2 2 344.499 3.172 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC(C)(C)C ZINC001316742098 1384555253 /nfs/dbraw/zinc/55/52/53/1384555253.db2.gz WANWJSNPGKQPQE-DLBZAZTESA-N 2 2 334.508 3.069 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC(C)(C)C ZINC001316742098 1384555259 /nfs/dbraw/zinc/55/52/59/1384555259.db2.gz WANWJSNPGKQPQE-DLBZAZTESA-N 2 2 334.508 3.069 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001316810854 1384606839 /nfs/dbraw/zinc/60/68/39/1384606839.db2.gz JQICKQLQHDYFDA-TUYSUELWSA-N 2 2 346.519 3.224 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001316810854 1384606840 /nfs/dbraw/zinc/60/68/40/1384606840.db2.gz JQICKQLQHDYFDA-TUYSUELWSA-N 2 2 346.519 3.224 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC001316864930 1384650540 /nfs/dbraw/zinc/65/05/40/1384650540.db2.gz OZCXXXDGWSLQIS-UHFFFAOYSA-N 2 2 342.487 3.022 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC001316864930 1384650542 /nfs/dbraw/zinc/65/05/42/1384650542.db2.gz OZCXXXDGWSLQIS-UHFFFAOYSA-N 2 2 342.487 3.022 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317060675 1384833103 /nfs/dbraw/zinc/83/31/03/1384833103.db2.gz HVJUBPUJMWZNEH-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139217 1384905359 /nfs/dbraw/zinc/90/53/59/1384905359.db2.gz HSTNZCWATLRVKI-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139217 1384905360 /nfs/dbraw/zinc/90/53/60/1384905360.db2.gz HSTNZCWATLRVKI-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317139217 1384905362 /nfs/dbraw/zinc/90/53/62/1384905362.db2.gz HSTNZCWATLRVKI-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317139217 1384905363 /nfs/dbraw/zinc/90/53/63/1384905363.db2.gz HSTNZCWATLRVKI-IAGOWNOFSA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001329071938 1388954180 /nfs/dbraw/zinc/95/41/80/1388954180.db2.gz XFDZJSXVSCFUDG-KBPBESRZSA-N 2 2 326.444 3.160 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317186273 1384960913 /nfs/dbraw/zinc/96/09/13/1384960913.db2.gz LKRQMDKOXIISJM-GOSISDBHSA-N 2 2 340.471 3.193 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001317191087 1384965359 /nfs/dbraw/zinc/96/53/59/1384965359.db2.gz WOGYSUMYXVLQLY-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001317191087 1384965362 /nfs/dbraw/zinc/96/53/62/1384965362.db2.gz WOGYSUMYXVLQLY-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001317401092 1385116011 /nfs/dbraw/zinc/11/60/11/1385116011.db2.gz OHQRKBSZQRFBIT-ZWKOTPCHSA-N 2 2 342.487 3.136 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001317525129 1385245334 /nfs/dbraw/zinc/24/53/34/1385245334.db2.gz DIAWMIKMLFXDEM-KRWDZBQOSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)c[nH+]1 ZINC001317525129 1385245338 /nfs/dbraw/zinc/24/53/38/1385245338.db2.gz DIAWMIKMLFXDEM-KRWDZBQOSA-N 2 2 348.535 3.191 10 0 EGAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001176263041 1385531755 /nfs/dbraw/zinc/53/17/55/1385531755.db2.gz PFPVXDFOACKKCW-RLLQIKCJSA-N 2 2 336.483 3.300 10 0 EGAELP Cc1cnc([C@@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001176263041 1385531757 /nfs/dbraw/zinc/53/17/57/1385531757.db2.gz PFPVXDFOACKKCW-RLLQIKCJSA-N 2 2 336.483 3.300 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001176263041 1385531761 /nfs/dbraw/zinc/53/17/61/1385531761.db2.gz PFPVXDFOACKKCW-RLLQIKCJSA-N 2 2 336.483 3.300 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001176263041 1385531765 /nfs/dbraw/zinc/53/17/65/1385531765.db2.gz PFPVXDFOACKKCW-RLLQIKCJSA-N 2 2 336.483 3.300 10 0 EGAELP COc1ccnc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176989945 1385765595 /nfs/dbraw/zinc/76/55/95/1385765595.db2.gz BGDVMIQPZKXFQX-HNNXBMFYSA-N 2 2 328.460 3.421 10 0 EGAELP COc1ccnc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176989945 1385765597 /nfs/dbraw/zinc/76/55/97/1385765597.db2.gz BGDVMIQPZKXFQX-HNNXBMFYSA-N 2 2 328.460 3.421 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319460863 1386131777 /nfs/dbraw/zinc/13/17/77/1386131777.db2.gz QYLPQKVBLRPCMI-IDTUSYRASA-N 2 2 328.460 3.049 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001319475891 1386137586 /nfs/dbraw/zinc/13/75/86/1386137586.db2.gz MIEHBOBPELMSQM-SJORKVTESA-N 2 2 336.524 3.343 10 0 EGAELP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001320790992 1386719145 /nfs/dbraw/zinc/71/91/45/1386719145.db2.gz CYELPQHVQKCYHW-JXMROGBWSA-N 2 2 348.450 3.099 10 0 EGAELP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001322178106 1387089605 /nfs/dbraw/zinc/08/96/05/1387089605.db2.gz VSSZBTGYXDFXQO-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001322178106 1387089610 /nfs/dbraw/zinc/08/96/10/1387089610.db2.gz VSSZBTGYXDFXQO-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001322178106 1387089614 /nfs/dbraw/zinc/08/96/14/1387089614.db2.gz VSSZBTGYXDFXQO-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001322178106 1387089617 /nfs/dbraw/zinc/08/96/17/1387089617.db2.gz VSSZBTGYXDFXQO-KBAYOESNSA-N 2 2 346.519 3.310 10 0 EGAELP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001322257387 1387123522 /nfs/dbraw/zinc/12/35/22/1387123522.db2.gz FREHRDXVNXIIMW-SJORKVTESA-N 2 2 332.492 3.161 10 0 EGAELP 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1390203925 /nfs/dbraw/zinc/20/39/25/1390203925.db2.gz RWCNWZNLMJXICM-JKSUJKDBSA-N 2 2 336.524 3.391 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC001332909164 1390214360 /nfs/dbraw/zinc/21/43/60/1390214360.db2.gz MZTMWIYKIDABGY-SJLPKXTDSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC001332909163 1390214428 /nfs/dbraw/zinc/21/44/28/1390214428.db2.gz MZTMWIYKIDABGY-FUHWJXTLSA-N 2 2 342.487 3.073 10 0 EGAELP C[C@@H](CC(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1)n1cc[nH+]c1 ZINC001479248755 1392199530 /nfs/dbraw/zinc/19/95/30/1392199530.db2.gz CIBZMYOIUMANIT-HKUYNNGSSA-N 2 2 344.503 3.257 10 0 EGAELP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479688518 1392320159 /nfs/dbraw/zinc/32/01/59/1392320159.db2.gz JOYUDYWHFQVZGN-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698854227 1406558794 /nfs/dbraw/zinc/55/87/94/1406558794.db2.gz 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DCLLWJKGRVUFGR-FCJWDPHOSA-N 2 2 344.503 3.229 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001692188323 1405828881 /nfs/dbraw/zinc/82/88/81/1405828881.db2.gz DCLLWJKGRVUFGR-FCJWDPHOSA-N 2 2 344.503 3.229 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001692188323 1405828884 /nfs/dbraw/zinc/82/88/84/1405828884.db2.gz DCLLWJKGRVUFGR-FCJWDPHOSA-N 2 2 344.503 3.229 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001692209816 1405845166 /nfs/dbraw/zinc/84/51/66/1405845166.db2.gz LDGGUTAWFMBSJY-INIZCTEOSA-N 2 2 343.515 3.201 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001692209816 1405845167 /nfs/dbraw/zinc/84/51/67/1405845167.db2.gz LDGGUTAWFMBSJY-INIZCTEOSA-N 2 2 343.515 3.201 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001731998160 1428207812 /nfs/dbraw/zinc/20/78/12/1428207812.db2.gz AHGRPNNGFFRLSJ-ZWKOTPCHSA-N 2 2 348.535 3.487 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698587328 1406205139 /nfs/dbraw/zinc/20/51/39/1406205139.db2.gz VNQYRCYCHUPFFY-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698587328 1406205144 /nfs/dbraw/zinc/20/51/44/1406205144.db2.gz VNQYRCYCHUPFFY-IEBWSBKVSA-N 2 2 346.519 3.337 10 0 EGAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732184613 1428432940 /nfs/dbraw/zinc/43/29/40/1428432940.db2.gz HYNMSLWTXYNFCZ-SFHVURJKSA-N 2 2 344.503 3.074 10 0 EGAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001732184613 1428432941 /nfs/dbraw/zinc/43/29/41/1428432941.db2.gz HYNMSLWTXYNFCZ-SFHVURJKSA-N 2 2 344.503 3.074 10 0 EGAELP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001732310052 1428523881 /nfs/dbraw/zinc/52/38/81/1428523881.db2.gz HKSIYYIFFKURHW-QRQJLMRGSA-N 2 2 346.519 3.300 10 0 EGAELP O=C(Cn1cc[nH+]c1)NCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001732325353 1428534120 /nfs/dbraw/zinc/53/41/20/1428534120.db2.gz XNPTWSVTSMXFET-UHFFFAOYSA-N 2 2 346.519 3.072 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001699262789 1412602619 /nfs/dbraw/zinc/60/26/19/1412602619.db2.gz VJIPWZGDQLBECT-JFDDCEBESA-N 2 2 342.487 3.201 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001699537440 1412912086 /nfs/dbraw/zinc/91/20/86/1412912086.db2.gz IGHBDELXXSDJJV-CVEARBPZSA-N 2 2 346.450 3.173 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001699699865 1413112230 /nfs/dbraw/zinc/11/22/30/1413112230.db2.gz IUWOYYDLKOVDHM-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001699752368 1413159863 /nfs/dbraw/zinc/15/98/63/1413159863.db2.gz SAAHHDUCWRBAHY-KRWDZBQOSA-N 2 2 334.508 3.088 10 0 EGAELP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699761512 1413167295 /nfs/dbraw/zinc/16/72/95/1413167295.db2.gz FENQWCCOHLKEIU-MOEXGYKKSA-N 2 2 332.492 3.014 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001699939462 1413382873 /nfs/dbraw/zinc/38/28/73/1413382873.db2.gz GKXOVKQTQOFGLN-YQJUVHNHSA-N 2 2 346.519 3.110 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001700012982 1413456071 /nfs/dbraw/zinc/45/60/71/1413456071.db2.gz OJELHOFDFVNCGN-NLMHJGSFSA-N 2 2 344.503 3.256 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001700012982 1413456072 /nfs/dbraw/zinc/45/60/72/1413456072.db2.gz OJELHOFDFVNCGN-NLMHJGSFSA-N 2 2 344.503 3.256 10 0 EGAELP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700354003 1413852196 /nfs/dbraw/zinc/85/21/96/1413852196.db2.gz MOQPGGJKWLUUGW-INIZCTEOSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700354003 1413852200 /nfs/dbraw/zinc/85/22/00/1413852200.db2.gz MOQPGGJKWLUUGW-INIZCTEOSA-N 2 2 328.460 3.145 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700577029 1414252119 /nfs/dbraw/zinc/25/21/19/1414252119.db2.gz UZNPMOCQDLTKSS-JKSUJKDBSA-N 2 2 334.508 3.097 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)CC1(C)C)n1cc[nH+]c1 ZINC001700577029 1414252124 /nfs/dbraw/zinc/25/21/24/1414252124.db2.gz UZNPMOCQDLTKSS-JKSUJKDBSA-N 2 2 334.508 3.097 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCC[NH2+]CCC(C)C)ccn12 ZINC001700658547 1414318853 /nfs/dbraw/zinc/31/88/53/1414318853.db2.gz PFVRMYPNZVEWLS-HNNXBMFYSA-N 2 2 330.476 3.177 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001700730084 1414393198 /nfs/dbraw/zinc/39/31/98/1414393198.db2.gz IUBBPPSXLCRANT-QFBILLFUSA-N 2 2 346.519 3.241 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700762867 1414436397 /nfs/dbraw/zinc/43/63/97/1414436397.db2.gz PKPFTSDKWLUGBT-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001700974937 1414608018 /nfs/dbraw/zinc/60/80/18/1414608018.db2.gz GVCQSBYOMJSNSN-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1cccc([C@@H](C)[N@H+](C)CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)C)c1 ZINC001700974937 1414608022 /nfs/dbraw/zinc/60/80/22/1414608022.db2.gz GVCQSBYOMJSNSN-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001700993412 1414639750 /nfs/dbraw/zinc/63/97/50/1414639750.db2.gz SZFRGGGMMUZQQZ-KRWDZBQOSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001701007712 1414664639 /nfs/dbraw/zinc/66/46/39/1414664639.db2.gz NGKCKQKKZXUZJL-QGZVFWFLSA-N 2 2 346.519 3.110 10 0 EGAELP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733006378 1429126910 /nfs/dbraw/zinc/12/69/10/1429126910.db2.gz ARYCMAZNYJJDBH-INIZCTEOSA-N 2 2 342.487 3.407 10 0 EGAELP CC(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001707138882 1417218358 /nfs/dbraw/zinc/21/83/58/1417218358.db2.gz JUOGJQAXJBUOHF-PKOBYXMFSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001707233767 1417255028 /nfs/dbraw/zinc/25/50/28/1417255028.db2.gz KCEMNTYRUDZHDB-GOSISDBHSA-N 2 2 348.535 3.460 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001707271548 1417277245 /nfs/dbraw/zinc/27/72/45/1417277245.db2.gz HRBVKANVVLVHLH-KRWDZBQOSA-N 2 2 348.535 3.102 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001707271548 1417277247 /nfs/dbraw/zinc/27/72/47/1417277247.db2.gz HRBVKANVVLVHLH-KRWDZBQOSA-N 2 2 348.535 3.102 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707282896 1417294237 /nfs/dbraw/zinc/29/42/37/1417294237.db2.gz ZGYPWZCTWDOCNG-KEGWNNHHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707282896 1417294239 /nfs/dbraw/zinc/29/42/39/1417294239.db2.gz ZGYPWZCTWDOCNG-KEGWNNHHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001707282896 1417294240 /nfs/dbraw/zinc/29/42/40/1417294240.db2.gz ZGYPWZCTWDOCNG-KEGWNNHHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001707282896 1417294242 /nfs/dbraw/zinc/29/42/42/1417294242.db2.gz ZGYPWZCTWDOCNG-KEGWNNHHSA-N 2 2 346.519 3.305 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001713048101 1417599117 /nfs/dbraw/zinc/59/91/17/1417599117.db2.gz LXLZLECIGNYGBR-UHFFFAOYSA-N 2 2 346.519 3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001713048101 1417599121 /nfs/dbraw/zinc/59/91/21/1417599121.db2.gz LXLZLECIGNYGBR-UHFFFAOYSA-N 2 2 346.519 3.058 10 0 EGAELP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001713097633 1417647511 /nfs/dbraw/zinc/64/75/11/1417647511.db2.gz WPIUMJJGRVCWBD-KKSLTYSGSA-N 2 2 344.503 3.161 10 0 EGAELP 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ZINC001713457603 1418110815 /nfs/dbraw/zinc/11/08/15/1418110815.db2.gz HHPBLXKNHAGZFD-UHFFFAOYSA-N 2 2 328.460 3.051 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713789059 1418606129 /nfs/dbraw/zinc/60/61/29/1418606129.db2.gz GTOLHLFIXLWRLF-FDICQLOXSA-N 2 2 332.492 3.161 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713789059 1418606131 /nfs/dbraw/zinc/60/61/31/1418606131.db2.gz GTOLHLFIXLWRLF-FDICQLOXSA-N 2 2 332.492 3.161 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713910627 1418707411 /nfs/dbraw/zinc/70/74/11/1418707411.db2.gz LBZUODKBTNSSJM-JCGIZDLHSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713910627 1418707418 /nfs/dbraw/zinc/70/74/18/1418707418.db2.gz LBZUODKBTNSSJM-JCGIZDLHSA-N 2 2 349.906 3.028 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714006096 1418786061 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GRESOJTWEWOOJZ-FUHWJXTLSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714149858 1418955699 /nfs/dbraw/zinc/95/56/99/1418955699.db2.gz GRESOJTWEWOOJZ-FUHWJXTLSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001714149858 1418955702 /nfs/dbraw/zinc/95/57/02/1418955702.db2.gz GRESOJTWEWOOJZ-FUHWJXTLSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001714185782 1418992949 /nfs/dbraw/zinc/99/29/49/1418992949.db2.gz DDBPBFODOWORIM-XLIONFOSSA-N 2 2 348.535 3.364 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001714277553 1419058044 /nfs/dbraw/zinc/05/80/44/1419058044.db2.gz BMJIBZKVIDMBCV-DLBZAZTESA-N 2 2 342.487 3.252 10 0 EGAELP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714279447 1419060197 /nfs/dbraw/zinc/06/01/97/1419060197.db2.gz VXKYHSPFFSWVAI-SJORKVTESA-N 2 2 342.487 3.252 10 0 EGAELP 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3.214 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001733379466 1429563869 /nfs/dbraw/zinc/56/38/69/1429563869.db2.gz GDFOHFWFWHIXJK-MAUKXSAKSA-N 2 2 348.535 3.237 10 0 EGAELP C[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1F ZINC001723172149 1424314060 /nfs/dbraw/zinc/31/40/60/1424314060.db2.gz CQBGOAOQSFRSPY-AWEZNQCLSA-N 2 2 346.450 3.026 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724333009 1424827719 /nfs/dbraw/zinc/82/77/19/1424827719.db2.gz MHWGOXBFTLJOJL-CFPAGDMOSA-N 2 2 346.519 3.409 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724333009 1424827720 /nfs/dbraw/zinc/82/77/20/1424827720.db2.gz MHWGOXBFTLJOJL-CFPAGDMOSA-N 2 2 346.519 3.409 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001724590569 1424923910 /nfs/dbraw/zinc/92/39/10/1424923910.db2.gz ZKFLFALWNHBHJU-AEFFLSMTSA-N 2 2 348.535 3.047 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001724846016 1425197117 /nfs/dbraw/zinc/19/71/17/1425197117.db2.gz GFZRAVVONUUHLI-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001724846016 1425197121 /nfs/dbraw/zinc/19/71/21/1425197121.db2.gz GFZRAVVONUUHLI-HKUYNNGSSA-N 2 2 346.519 3.385 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848937 1425206851 /nfs/dbraw/zinc/20/68/51/1425206851.db2.gz PSLWFDKFEQOUEM-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848937 1425206860 /nfs/dbraw/zinc/20/68/60/1425206860.db2.gz PSLWFDKFEQOUEM-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848937 1425206864 /nfs/dbraw/zinc/20/68/64/1425206864.db2.gz PSLWFDKFEQOUEM-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848937 1425206867 /nfs/dbraw/zinc/20/68/67/1425206867.db2.gz PSLWFDKFEQOUEM-IRXDYDNUSA-N 2 2 334.508 3.139 10 0 EGAELP CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001724882462 1425263581 /nfs/dbraw/zinc/26/35/81/1425263581.db2.gz CUYSXHCREGIHMB-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001724882462 1425263584 /nfs/dbraw/zinc/26/35/84/1425263584.db2.gz CUYSXHCREGIHMB-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725043225 1425471062 /nfs/dbraw/zinc/47/10/62/1425471062.db2.gz VBTMOXISUKBXSP-MSOLQXFVSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725043225 1425471064 /nfs/dbraw/zinc/47/10/64/1425471064.db2.gz VBTMOXISUKBXSP-MSOLQXFVSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001725095567 1425538869 /nfs/dbraw/zinc/53/88/69/1425538869.db2.gz MNMUMYDNNDAVOX-ZIAGYGMSSA-N 2 2 328.460 3.240 10 0 EGAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725098814 1425543861 /nfs/dbraw/zinc/54/38/61/1425543861.db2.gz QZIQHWNGUUMSQM-OCLYVHKGSA-N 2 2 348.450 3.373 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240512 1425843757 /nfs/dbraw/zinc/84/37/57/1425843757.db2.gz JCDBTTYMSRZADN-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240512 1425843762 /nfs/dbraw/zinc/84/37/62/1425843762.db2.gz JCDBTTYMSRZADN-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240515 1425844354 /nfs/dbraw/zinc/84/43/54/1425844354.db2.gz JCDBTTYMSRZADN-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001725240515 1425844360 /nfs/dbraw/zinc/84/43/60/1425844360.db2.gz JCDBTTYMSRZADN-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001725667591 1426350783 /nfs/dbraw/zinc/35/07/83/1426350783.db2.gz YSVWRMXTUILSAH-RBUKOAKNSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@H+](C)CC[C@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730222 1426399183 /nfs/dbraw/zinc/39/91/83/1426399183.db2.gz QKGOCSOBOXFIIS-ZWKOTPCHSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001725730222 1426399191 /nfs/dbraw/zinc/39/91/91/1426399191.db2.gz QKGOCSOBOXFIIS-ZWKOTPCHSA-N 2 2 348.535 3.337 10 0 EGAELP Cc1ccccc1[C@H](C)[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731267505 1427214887 /nfs/dbraw/zinc/21/48/87/1427214887.db2.gz JRPHKVCSGASZMO-ROUUACIJSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731267505 1427214892 /nfs/dbraw/zinc/21/48/92/1427214892.db2.gz JRPHKVCSGASZMO-ROUUACIJSA-N 2 2 342.487 3.342 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731532498 1427523183 /nfs/dbraw/zinc/52/31/83/1427523183.db2.gz XCRKMWIOAKOAQN-JTGQJZMRSA-N 2 2 346.519 3.262 10 0 EGAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC2(CC2)CC1 ZINC001731605487 1427650154 /nfs/dbraw/zinc/65/01/54/1427650154.db2.gz DGPSUYLZBFZKHW-OAHLLOKOSA-N 2 2 340.471 3.013 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001733691225 1429908021 /nfs/dbraw/zinc/90/80/21/1429908021.db2.gz GABBNWHBGXHSIR-WGSAOQKQSA-N 2 2 344.503 3.038 10 0 EGAELP CC(C)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001733718989 1429938634 /nfs/dbraw/zinc/93/86/34/1429938634.db2.gz WXIDHQKGAADLRK-UHFFFAOYSA-N 2 2 328.460 3.013 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]CC3CCCCC3)ccn12 ZINC001733974965 1437774907 /nfs/dbraw/zinc/77/49/07/1437774907.db2.gz XKBPYTCJMZTFDX-JKSUJKDBSA-N 2 2 342.487 3.319 10 0 EGAELP CCCCC[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001734086194 1437871978 /nfs/dbraw/zinc/87/19/78/1437871978.db2.gz CGLBNRWQZPYBLK-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107126 1437893939 /nfs/dbraw/zinc/89/39/39/1437893939.db2.gz VXCOMOHJAKVXSO-OOFWQKGWSA-N 2 2 346.519 3.368 10 0 EGAELP CCC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001734107126 1437893940 /nfs/dbraw/zinc/89/39/40/1437893940.db2.gz VXCOMOHJAKVXSO-OOFWQKGWSA-N 2 2 346.519 3.368 10 0 EGAELP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001734343076 1438063010 /nfs/dbraw/zinc/06/30/10/1438063010.db2.gz PAQCVCKJFHQESE-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001734345433 1438065066 /nfs/dbraw/zinc/06/50/66/1438065066.db2.gz ZXTAZTQAJKQWTQ-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368098959 168310514 /nfs/dbraw/zinc/31/05/14/168310514.db2.gz DHWMGVLWYUSGFW-XLIONFOSSA-N 2 2 348.450 3.244 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368098959 168310516 /nfs/dbraw/zinc/31/05/16/168310516.db2.gz DHWMGVLWYUSGFW-XLIONFOSSA-N 2 2 348.450 3.244 10 0 EGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103820 168311360 /nfs/dbraw/zinc/31/13/60/168311360.db2.gz YWPLMVPIFVITOP-TZMCWYRMSA-N 2 2 335.398 3.479 10 0 EGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103820 168311363 /nfs/dbraw/zinc/31/13/63/168311363.db2.gz YWPLMVPIFVITOP-TZMCWYRMSA-N 2 2 335.398 3.479 10 0 EGAELP C[NH+](CC1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)CC1CCOCC1 ZINC000362183522 282394402 /nfs/dbraw/zinc/39/44/02/282394402.db2.gz SCRQQBFUPIYZOT-WOJBJXKFSA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](CC1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CCOCC1 ZINC000362183522 282394403 /nfs/dbraw/zinc/39/44/03/282394403.db2.gz SCRQQBFUPIYZOT-WOJBJXKFSA-N 2 2 338.536 3.014 10 0 EGAELP C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347941855 299324650 /nfs/dbraw/zinc/32/46/50/299324650.db2.gz AKOVUXXSDIWSNF-LSDHHAIUSA-N 2 2 348.560 3.484 10 0 EGAELP C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347941855 299324652 /nfs/dbraw/zinc/32/46/52/299324652.db2.gz AKOVUXXSDIWSNF-LSDHHAIUSA-N 2 2 348.560 3.484 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cs1 ZINC000193990555 240390374 /nfs/dbraw/zinc/39/03/74/240390374.db2.gz PXMLTQKIBRSCDM-YPMHNXCESA-N 2 2 347.322 3.008 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230099084 242231102 /nfs/dbraw/zinc/23/11/02/242231102.db2.gz VZIMUWYGJRWEGM-GVDBMIGSSA-N 2 2 346.425 3.278 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230099084 242231109 /nfs/dbraw/zinc/23/11/09/242231109.db2.gz VZIMUWYGJRWEGM-GVDBMIGSSA-N 2 2 346.425 3.278 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095390 217361191 /nfs/dbraw/zinc/36/11/91/217361191.db2.gz NCMLIWAIOZLXLG-RDTXWAMCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095390 217361192 /nfs/dbraw/zinc/36/11/92/217361192.db2.gz NCMLIWAIOZLXLG-RDTXWAMCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095390 217361195 /nfs/dbraw/zinc/36/11/95/217361195.db2.gz NCMLIWAIOZLXLG-RDTXWAMCSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000081095390 217361198 /nfs/dbraw/zinc/36/11/98/217361198.db2.gz NCMLIWAIOZLXLG-RDTXWAMCSA-N 2 2 327.472 3.321 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378344243 169103808 /nfs/dbraw/zinc/10/38/08/169103808.db2.gz YPWAGHWKAQMNDE-UHFFFAOYSA-N 2 2 325.391 3.319 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639061 218235988 /nfs/dbraw/zinc/23/59/88/218235988.db2.gz UAOQNXCFXRPAAH-HIFRSBDPSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639061 218235989 /nfs/dbraw/zinc/23/59/89/218235989.db2.gz UAOQNXCFXRPAAH-HIFRSBDPSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639061 218235992 /nfs/dbraw/zinc/23/59/92/218235992.db2.gz UAOQNXCFXRPAAH-HIFRSBDPSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2OC(F)F)[C@H](C)C1 ZINC000093639061 218235994 /nfs/dbraw/zinc/23/59/94/218235994.db2.gz UAOQNXCFXRPAAH-HIFRSBDPSA-N 2 2 342.430 3.459 10 0 EGAELP CCCn1nc(C)c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1C ZINC000095414133 218352737 /nfs/dbraw/zinc/35/27/37/218352737.db2.gz PUTHTEPZXBROCR-UHFFFAOYSA-N 2 2 325.460 3.358 10 0 EGAELP COc1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420152 218361140 /nfs/dbraw/zinc/36/11/40/218361140.db2.gz RIYVUJRCOGYSCF-LJQANCHMSA-N 2 2 335.407 3.163 10 0 EGAELP C[C@](O)(C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000095422470 218364746 /nfs/dbraw/zinc/36/47/46/218364746.db2.gz BJJQRUDWOFMQNG-NRFANRHFSA-N 2 2 342.458 3.287 10 0 EGAELP CN(C)C(=O)Sc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000267623486 251201309 /nfs/dbraw/zinc/20/13/09/251201309.db2.gz LQIDIIJLSNCRBC-UHFFFAOYSA-N 2 2 344.484 3.494 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268795982 252248199 /nfs/dbraw/zinc/24/81/99/252248199.db2.gz ZXSZMFQSXBVRKI-VQIMIIECSA-N 2 2 325.456 3.090 10 0 EGAELP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268795982 252248203 /nfs/dbraw/zinc/24/82/03/252248203.db2.gz ZXSZMFQSXBVRKI-VQIMIIECSA-N 2 2 325.456 3.090 10 0 EGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622029 258035348 /nfs/dbraw/zinc/03/53/48/258035348.db2.gz AWZJZJKLRFYXFH-PXNSSMCTSA-N 3 2 346.519 3.027 10 0 EGAELP OCCNc1[nH+]c2ccccc2n1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000003353331 258050510 /nfs/dbraw/zinc/05/05/10/258050510.db2.gz PBIAJJRYXIOQIK-UHFFFAOYSA-N 2 2 348.450 3.187 10 0 EGAELP OCCNc1[nH+]c2ccccc2n1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000003353331 258050512 /nfs/dbraw/zinc/05/05/12/258050512.db2.gz PBIAJJRYXIOQIK-UHFFFAOYSA-N 2 2 348.450 3.187 10 0 EGAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246983598 141047245 /nfs/dbraw/zinc/04/72/45/141047245.db2.gz SLZRTIBBTRSQGF-TXPKVOOTSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246983598 141047246 /nfs/dbraw/zinc/04/72/46/141047246.db2.gz SLZRTIBBTRSQGF-TXPKVOOTSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246983598 141047247 /nfs/dbraw/zinc/04/72/47/141047247.db2.gz SLZRTIBBTRSQGF-TXPKVOOTSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246983598 141047248 /nfs/dbraw/zinc/04/72/48/141047248.db2.gz SLZRTIBBTRSQGF-TXPKVOOTSA-N 2 2 349.494 3.150 10 0 EGAELP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307496 144156484 /nfs/dbraw/zinc/15/64/84/144156484.db2.gz MCKCUTLFNXSTBL-KUHUBIRLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307496 144156486 /nfs/dbraw/zinc/15/64/86/144156486.db2.gz MCKCUTLFNXSTBL-KUHUBIRLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307496 144156488 /nfs/dbraw/zinc/15/64/88/144156488.db2.gz MCKCUTLFNXSTBL-KUHUBIRLSA-N 2 2 348.437 3.486 10 0 EGAELP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307496 144156490 /nfs/dbraw/zinc/15/64/90/144156490.db2.gz MCKCUTLFNXSTBL-KUHUBIRLSA-N 2 2 348.437 3.486 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CCO1 ZINC000191258362 153184768 /nfs/dbraw/zinc/18/47/68/153184768.db2.gz XOHSNWDTSXBAMP-QGZVFWFLSA-N 2 2 344.499 3.161 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CCO1 ZINC000191258362 153184778 /nfs/dbraw/zinc/18/47/78/153184778.db2.gz XOHSNWDTSXBAMP-QGZVFWFLSA-N 2 2 344.499 3.161 10 0 EGAELP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000193615677 153297064 /nfs/dbraw/zinc/29/70/64/153297064.db2.gz NBHAPCLCLFPQBQ-IYBDPMFKSA-N 2 2 342.874 3.099 10 0 EGAELP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000193615677 153297066 /nfs/dbraw/zinc/29/70/66/153297066.db2.gz NBHAPCLCLFPQBQ-IYBDPMFKSA-N 2 2 342.874 3.099 10 0 EGAELP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000193615677 153297069 /nfs/dbraw/zinc/29/70/69/153297069.db2.gz NBHAPCLCLFPQBQ-IYBDPMFKSA-N 2 2 342.874 3.099 10 0 EGAELP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000193615677 153297075 /nfs/dbraw/zinc/29/70/75/153297075.db2.gz NBHAPCLCLFPQBQ-IYBDPMFKSA-N 2 2 342.874 3.099 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000327315262 154186122 /nfs/dbraw/zinc/18/61/22/154186122.db2.gz SFSCYNICLHTHPN-MAUKXSAKSA-N 2 2 335.407 3.363 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378539 154320824 /nfs/dbraw/zinc/32/08/24/154320824.db2.gz BVFCCSKJIDMCRY-APWZRJJASA-N 2 2 334.508 3.006 10 0 EGAELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378539 154320829 /nfs/dbraw/zinc/32/08/29/154320829.db2.gz BVFCCSKJIDMCRY-APWZRJJASA-N 2 2 334.508 3.006 10 0 EGAELP CC(C)[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1 ZINC000346946543 156209533 /nfs/dbraw/zinc/20/95/33/156209533.db2.gz NWBMSYQXXXJREN-AZUAARDMSA-N 2 2 339.487 3.426 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)[nH+]1 ZINC000362085075 157015079 /nfs/dbraw/zinc/01/50/79/157015079.db2.gz FZBWAGNJBSCCEZ-IBGZPJMESA-N 2 2 348.454 3.047 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)[nH+]1 ZINC000362085075 157015084 /nfs/dbraw/zinc/01/50/84/157015084.db2.gz FZBWAGNJBSCCEZ-IBGZPJMESA-N 2 2 348.454 3.047 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000372431300 157329862 /nfs/dbraw/zinc/32/98/62/157329862.db2.gz LLZCKCUWJWGJQT-RHSMWYFYSA-N 2 2 348.535 3.121 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000372431300 157329865 /nfs/dbraw/zinc/32/98/65/157329865.db2.gz LLZCKCUWJWGJQT-RHSMWYFYSA-N 2 2 348.535 3.121 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000093564062 162015240 /nfs/dbraw/zinc/01/52/40/162015240.db2.gz LJTOEFGQRDXXJC-INIZCTEOSA-N 2 2 332.517 3.463 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000093564062 162015242 /nfs/dbraw/zinc/01/52/42/162015242.db2.gz LJTOEFGQRDXXJC-INIZCTEOSA-N 2 2 332.517 3.463 10 0 EGAELP C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656063 162755955 /nfs/dbraw/zinc/75/59/55/162755955.db2.gz FCNFFYTYUOMFAK-INIZCTEOSA-N 2 2 334.423 3.186 10 0 EGAELP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000248430525 163004092 /nfs/dbraw/zinc/00/40/92/163004092.db2.gz WDOSAHOQUZYVOF-CXAGYDPISA-N 2 2 349.837 3.342 10 0 EGAELP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000248430525 163004094 /nfs/dbraw/zinc/00/40/94/163004094.db2.gz WDOSAHOQUZYVOF-CXAGYDPISA-N 2 2 349.837 3.342 10 0 EGAELP CCN(CC)c1ncc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)s1 ZINC000343646404 164002435 /nfs/dbraw/zinc/00/24/35/164002435.db2.gz ZMIIJZKIFNTQGQ-UHFFFAOYSA-N 2 2 345.516 3.015 10 0 EGAELP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000344148429 164114753 /nfs/dbraw/zinc/11/47/53/164114753.db2.gz QSHQPFXDGAUQNT-OAHLLOKOSA-N 2 2 345.443 3.014 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)c2)c[nH+]1 ZINC000344335087 164159598 /nfs/dbraw/zinc/15/95/98/164159598.db2.gz QXPAFKRUJHZFKC-BBRMVZONSA-N 2 2 335.498 3.078 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000346232707 164361073 /nfs/dbraw/zinc/36/10/73/164361073.db2.gz YJCKRTFIEXZDDO-SFHVURJKSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000346232707 164361074 /nfs/dbraw/zinc/36/10/74/164361074.db2.gz YJCKRTFIEXZDDO-SFHVURJKSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000348399990 164730067 /nfs/dbraw/zinc/73/00/67/164730067.db2.gz AYPBQIVTCNRNHU-INIZCTEOSA-N 2 2 334.410 3.042 10 0 EGAELP c1nc(-c2ccncc2)sc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000349871296 164964794 /nfs/dbraw/zinc/96/47/94/164964794.db2.gz FFFIYYTZWDNITD-UHFFFAOYSA-N 2 2 328.485 3.265 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000352105780 165238815 /nfs/dbraw/zinc/23/88/15/165238815.db2.gz VRXXWMNWDNJUMN-MOPGFXCFSA-N 2 2 337.458 3.032 10 0 EGAELP FC(F)(F)COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000352128041 165248377 /nfs/dbraw/zinc/24/83/77/165248377.db2.gz AFETWAGMXDHZJS-UHFFFAOYSA-N 2 2 340.349 3.125 10 0 EGAELP COCc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)o1 ZINC000355330709 166165822 /nfs/dbraw/zinc/16/58/22/166165822.db2.gz LJZOMLPXQPJTIZ-UHFFFAOYSA-N 2 2 346.393 3.321 10 0 EGAELP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731281 168039607 /nfs/dbraw/zinc/03/96/07/168039607.db2.gz CCGPNDHPMLDRAH-HAGHYFMRSA-N 2 2 336.483 3.052 10 0 EGAELP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000365731281 168039608 /nfs/dbraw/zinc/03/96/08/168039608.db2.gz CCGPNDHPMLDRAH-HAGHYFMRSA-N 2 2 336.483 3.052 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000366022253 168073227 /nfs/dbraw/zinc/07/32/27/168073227.db2.gz DNZAIUDQNYJAHO-LLVKDONJSA-N 2 2 344.406 3.350 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000366022253 168073229 /nfs/dbraw/zinc/07/32/29/168073229.db2.gz DNZAIUDQNYJAHO-LLVKDONJSA-N 2 2 344.406 3.350 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000122943237 222187083 /nfs/dbraw/zinc/18/70/83/222187083.db2.gz KTFVJRDGDWKFJX-KRWDZBQOSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2NC(C)=O)C1 ZINC000122943237 222187085 /nfs/dbraw/zinc/18/70/85/222187085.db2.gz KTFVJRDGDWKFJX-KRWDZBQOSA-N 2 2 326.444 3.241 10 0 EGAELP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000122965275 222191772 /nfs/dbraw/zinc/19/17/72/222191772.db2.gz IBMZOYHVMONFKY-OAHLLOKOSA-N 2 2 329.492 3.141 10 0 EGAELP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000122965275 222191775 /nfs/dbraw/zinc/19/17/75/222191775.db2.gz IBMZOYHVMONFKY-OAHLLOKOSA-N 2 2 329.492 3.141 10 0 EGAELP C(=C/c1ccccc1)\CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178899580 265350205 /nfs/dbraw/zinc/35/02/05/265350205.db2.gz OGLQOXKIKXFRAM-QPJJXVBHSA-N 2 2 328.379 3.336 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000271548268 266684785 /nfs/dbraw/zinc/68/47/85/266684785.db2.gz UOGSLDPUQODKCA-GUXCAODWSA-N 2 2 326.488 3.149 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000271548268 266684787 /nfs/dbraw/zinc/68/47/87/266684787.db2.gz UOGSLDPUQODKCA-GUXCAODWSA-N 2 2 326.488 3.149 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417335 274028092 /nfs/dbraw/zinc/02/80/92/274028092.db2.gz QXWFGKPPWJCAGC-IRXDYDNUSA-N 2 2 341.499 3.034 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180417335 274028093 /nfs/dbraw/zinc/02/80/93/274028093.db2.gz QXWFGKPPWJCAGC-IRXDYDNUSA-N 2 2 341.499 3.034 10 0 EGAELP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211326 275187485 /nfs/dbraw/zinc/18/74/85/275187485.db2.gz NMMCQYSKAXIFDN-MRXNPFEDSA-N 2 2 340.427 3.480 10 0 EGAELP CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211326 275187486 /nfs/dbraw/zinc/18/74/86/275187486.db2.gz NMMCQYSKAXIFDN-MRXNPFEDSA-N 2 2 340.427 3.480 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630774 276301387 /nfs/dbraw/zinc/30/13/87/276301387.db2.gz JJQSTGXXXHJGQI-AOIWGVFYSA-N 2 2 340.471 3.128 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106630774 276301389 /nfs/dbraw/zinc/30/13/89/276301389.db2.gz JJQSTGXXXHJGQI-AOIWGVFYSA-N 2 2 340.471 3.128 10 0 EGAELP Cc1occc1C(=O)NC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289349932 276326057 /nfs/dbraw/zinc/32/60/57/276326057.db2.gz MWRRLLBYBRWVHQ-UHFFFAOYSA-N 2 2 341.455 3.118 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000289485579 276346358 /nfs/dbraw/zinc/34/63/58/276346358.db2.gz YLTIURUOYYHOLR-KNQAVFIVSA-N 2 2 349.478 3.001 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000289485579 276346360 /nfs/dbraw/zinc/34/63/60/276346360.db2.gz YLTIURUOYYHOLR-KNQAVFIVSA-N 2 2 349.478 3.001 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037710 277222018 /nfs/dbraw/zinc/22/20/18/277222018.db2.gz NPCUKKLJAVNFCC-MJGOQNOKSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037710 277222020 /nfs/dbraw/zinc/22/20/20/277222020.db2.gz NPCUKKLJAVNFCC-MJGOQNOKSA-N 2 2 332.488 3.218 10 0 EGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccccc1F ZINC000262078364 295232813 /nfs/dbraw/zinc/23/28/13/295232813.db2.gz SVIKRBDZJADIHQ-UHFFFAOYSA-N 2 2 338.430 3.219 10 0 EGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccccc1F ZINC000262078364 295232814 /nfs/dbraw/zinc/23/28/14/295232814.db2.gz SVIKRBDZJADIHQ-UHFFFAOYSA-N 2 2 338.430 3.219 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829562 309104237 /nfs/dbraw/zinc/10/42/37/309104237.db2.gz KYYRXHIVMMYDGZ-OAHLLOKOSA-N 2 2 335.245 3.247 10 0 EGAELP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CC2)CC1 ZINC000301313413 308696020 /nfs/dbraw/zinc/69/60/20/308696020.db2.gz KBWNRDWMKODMBW-UHFFFAOYSA-N 2 2 332.245 3.282 10 0 EGAELP CCc1cc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000302115048 308729586 /nfs/dbraw/zinc/72/95/86/308729586.db2.gz VRFHKLLEZSBNKJ-CQSZACIVSA-N 2 2 328.435 3.370 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414921120 309109465 /nfs/dbraw/zinc/10/94/65/309109465.db2.gz DEJLYDIAYBNXPA-LALPHHSUSA-N 2 2 343.393 3.010 10 0 EGAELP Clc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053747 309116734 /nfs/dbraw/zinc/11/67/34/309116734.db2.gz PBQDDQUWIAQVFC-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053747 309116735 /nfs/dbraw/zinc/11/67/35/309116735.db2.gz PBQDDQUWIAQVFC-GDBMZVCRSA-N 2 2 336.863 3.075 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415111590 309121030 /nfs/dbraw/zinc/12/10/30/309121030.db2.gz RGHBYRORLXEUFG-TZIWHRDSSA-N 3 2 341.474 3.470 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000415950277 309150827 /nfs/dbraw/zinc/15/08/27/309150827.db2.gz HITZSKGNZLDNNQ-UHFFFAOYSA-N 2 2 337.427 3.074 10 0 EGAELP CC[N@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416009665 309154506 /nfs/dbraw/zinc/15/45/06/309154506.db2.gz NQAUCLGCQNKRJN-UHFFFAOYSA-N 2 2 338.455 3.328 10 0 EGAELP CC[N@@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416009665 309154507 /nfs/dbraw/zinc/15/45/07/309154507.db2.gz NQAUCLGCQNKRJN-UHFFFAOYSA-N 2 2 338.455 3.328 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422634145 309363053 /nfs/dbraw/zinc/36/30/53/309363053.db2.gz JESMIDPZONWAIU-VKJFTORMSA-N 2 2 331.504 3.055 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422634145 309363054 /nfs/dbraw/zinc/36/30/54/309363054.db2.gz JESMIDPZONWAIU-VKJFTORMSA-N 2 2 331.504 3.055 10 0 EGAELP CCOc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1OC(F)F ZINC000422697784 309363573 /nfs/dbraw/zinc/36/35/73/309363573.db2.gz WFYFMEWQUDOHAR-LLVKDONJSA-N 2 2 337.370 3.345 10 0 EGAELP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000422699060 309363601 /nfs/dbraw/zinc/36/36/01/309363601.db2.gz CIHSOCSFPCSADJ-GVDBMIGSSA-N 3 2 326.488 3.396 10 0 EGAELP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422746461 309366293 /nfs/dbraw/zinc/36/62/93/309366293.db2.gz WPCOKQWRBOJNHV-LEWJYISDSA-N 3 2 345.531 3.200 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CCO)CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422802519 309369323 /nfs/dbraw/zinc/36/93/23/309369323.db2.gz DMAVRUSCJNYMLC-AHRSYUTCSA-N 2 2 334.504 3.123 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOCc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422834618 309370954 /nfs/dbraw/zinc/37/09/54/309370954.db2.gz ZWJLBMKNYWERIU-NHCUHLMSSA-N 2 2 340.467 3.295 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422848904 309371918 /nfs/dbraw/zinc/37/19/18/309371918.db2.gz BHQHDSQGNSNGFA-WDSOQIARSA-N 2 2 332.488 3.031 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(OC(F)F)c1 ZINC000422883928 309374076 /nfs/dbraw/zinc/37/40/76/309374076.db2.gz DHMNMOUIJOHCIO-SWLSCSKDSA-N 2 2 328.403 3.164 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016375 309381187 /nfs/dbraw/zinc/38/11/87/309381187.db2.gz MNENGYHBTDTKRG-JUKXBJQTSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016375 309381188 /nfs/dbraw/zinc/38/11/88/309381188.db2.gz MNENGYHBTDTKRG-JUKXBJQTSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016375 309381189 /nfs/dbraw/zinc/38/11/89/309381189.db2.gz MNENGYHBTDTKRG-JUKXBJQTSA-N 2 2 339.886 3.345 10 0 EGAELP CCOC1CC(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000423067937 309384218 /nfs/dbraw/zinc/38/42/18/309384218.db2.gz IVELYTHPVIQCKF-AVMZVFHNSA-N 2 2 332.488 3.283 10 0 EGAELP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423186936 309389764 /nfs/dbraw/zinc/38/97/64/309389764.db2.gz KOZYGXGPRZRYIQ-CQSZACIVSA-N 2 2 327.197 3.209 10 0 EGAELP Cc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CCC2)o1 ZINC000423232787 309391573 /nfs/dbraw/zinc/39/15/73/309391573.db2.gz NHMGNMPHIKZDMJ-IBGZPJMESA-N 2 2 326.444 3.346 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc(OC)c1OC ZINC000423234737 309391871 /nfs/dbraw/zinc/39/18/71/309391871.db2.gz FZIVRINCZFSCHP-XJKSGUPXSA-N 2 2 330.428 3.063 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252897 309392289 /nfs/dbraw/zinc/39/22/89/309392289.db2.gz YBEQJMVDADWASH-ACJLOTCBSA-N 2 2 327.428 3.004 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423301286 309394464 /nfs/dbraw/zinc/39/44/64/309394464.db2.gz HCKGPHYLEYMPAQ-IBGZPJMESA-N 2 2 346.858 3.256 10 0 EGAELP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000424135338 309430314 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CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000449492884 310066633 /nfs/dbraw/zinc/06/66/33/310066633.db2.gz KIBGYMBTIBTBIM-UYAOXDASSA-N 2 2 331.504 3.087 10 0 EGAELP C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450649111 310134931 /nfs/dbraw/zinc/13/49/31/310134931.db2.gz QAQSPBKGSZPQRQ-HXKSNXDFSA-N 2 2 327.516 3.048 10 0 EGAELP C[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450649111 310134932 /nfs/dbraw/zinc/13/49/32/310134932.db2.gz QAQSPBKGSZPQRQ-HXKSNXDFSA-N 2 2 327.516 3.048 10 0 EGAELP C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450649113 310135038 /nfs/dbraw/zinc/13/50/38/310135038.db2.gz QAQSPBKGSZPQRQ-QAWDHVRNSA-N 2 2 327.516 3.048 10 0 EGAELP C[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450649113 310135039 /nfs/dbraw/zinc/13/50/39/310135039.db2.gz QAQSPBKGSZPQRQ-QAWDHVRNSA-N 2 2 327.516 3.048 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078331 310256443 /nfs/dbraw/zinc/25/64/43/310256443.db2.gz CLHJXUFBZJPYSN-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078331 310256444 /nfs/dbraw/zinc/25/64/44/310256444.db2.gz CLHJXUFBZJPYSN-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272812 310268320 /nfs/dbraw/zinc/26/83/20/310268320.db2.gz VIMAWLZIDJBMAW-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272812 310268321 /nfs/dbraw/zinc/26/83/21/310268321.db2.gz VIMAWLZIDJBMAW-QAPCUYQASA-N 2 2 326.431 3.098 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292964 310269462 /nfs/dbraw/zinc/26/94/62/310269462.db2.gz PBDSFLZTMYGXMM-CVEARBPZSA-N 2 2 330.447 3.476 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)c2ccccc21 ZINC000453292964 310269463 /nfs/dbraw/zinc/26/94/63/310269463.db2.gz PBDSFLZTMYGXMM-CVEARBPZSA-N 2 2 330.447 3.476 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453318239 310270935 /nfs/dbraw/zinc/27/09/35/310270935.db2.gz LFMYWFNFAPDZPO-ZCNNSNEGSA-N 2 2 338.499 3.436 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453318239 310270936 /nfs/dbraw/zinc/27/09/36/310270936.db2.gz LFMYWFNFAPDZPO-ZCNNSNEGSA-N 2 2 338.499 3.436 10 0 EGAELP CCOc1cc(C[NH2+]CCc2cn(C)c[nH+]2)ccc1OCC(C)C ZINC000459653826 310566511 /nfs/dbraw/zinc/56/65/11/310566511.db2.gz DLOWTSPZAXAJMS-UHFFFAOYSA-N 2 2 331.460 3.186 10 0 EGAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057140 311162388 /nfs/dbraw/zinc/16/23/88/311162388.db2.gz DCNLELUQLCZPDG-WOJBJXKFSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057140 311162390 /nfs/dbraw/zinc/16/23/90/311162390.db2.gz DCNLELUQLCZPDG-WOJBJXKFSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452064 312117440 /nfs/dbraw/zinc/11/74/40/312117440.db2.gz KERHHAPKEWRWOI-XYEHWOGUSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452064 312117441 /nfs/dbraw/zinc/11/74/41/312117441.db2.gz KERHHAPKEWRWOI-XYEHWOGUSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557885 312189156 /nfs/dbraw/zinc/18/91/56/312189156.db2.gz ZMXHHQJRCGCHDT-NEPJUHHUSA-N 2 2 343.334 3.472 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000512557885 312189158 /nfs/dbraw/zinc/18/91/58/312189158.db2.gz ZMXHHQJRCGCHDT-NEPJUHHUSA-N 2 2 343.334 3.472 10 0 EGAELP COc1cccc([C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC)c1 ZINC000527739864 312929613 /nfs/dbraw/zinc/92/96/13/312929613.db2.gz UPGZFYSKEZVSBA-GOSISDBHSA-N 2 2 343.452 3.420 10 0 EGAELP c1ccc(OCCOCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128089 313954203 /nfs/dbraw/zinc/95/42/03/313954203.db2.gz LTLZBOJNTFKKNQ-UHFFFAOYSA-N 2 2 341.455 3.054 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000551898727 315175910 /nfs/dbraw/zinc/17/59/10/315175910.db2.gz OYRLWFHSFCNGJI-KGLIPLIRSA-N 2 2 344.484 3.089 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCSC[C@H](C)C1 ZINC000551898727 315175912 /nfs/dbraw/zinc/17/59/12/315175912.db2.gz OYRLWFHSFCNGJI-KGLIPLIRSA-N 2 2 344.484 3.089 10 0 EGAELP CCN(C)c1ccc(CNc2cc[nH+]c(C)c2Br)c[nH+]1 ZINC000569902966 316979089 /nfs/dbraw/zinc/97/90/89/316979089.db2.gz QWSXVEVFNRPFRH-UHFFFAOYSA-N 2 2 335.249 3.038 10 0 EGAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000572398021 317333137 /nfs/dbraw/zinc/33/31/37/317333137.db2.gz VGGYQEFUWXKJAU-ROVVAWJSSA-N 2 2 325.412 3.042 10 0 EGAELP COc1cncc(/C=C/CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000572398021 317333142 /nfs/dbraw/zinc/33/31/42/317333142.db2.gz VGGYQEFUWXKJAU-ROVVAWJSSA-N 2 2 325.412 3.042 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c(F)c3)C[C@H]21 ZINC000228474191 456123483 /nfs/dbraw/zinc/12/34/83/456123483.db2.gz NGAABMPDSIIZBZ-LALPHHSUSA-N 2 2 327.241 3.147 10 0 EGAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c(F)c3)C[C@H]21 ZINC000228474191 456123486 /nfs/dbraw/zinc/12/34/86/456123486.db2.gz NGAABMPDSIIZBZ-LALPHHSUSA-N 2 2 327.241 3.147 10 0 EGAELP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645313 323245147 /nfs/dbraw/zinc/24/51/47/323245147.db2.gz JZOIEXDIVDKPSH-ZWKOTPCHSA-N 2 2 346.519 3.146 10 0 EGAELP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645313 323245152 /nfs/dbraw/zinc/24/51/52/323245152.db2.gz JZOIEXDIVDKPSH-ZWKOTPCHSA-N 2 2 346.519 3.146 10 0 EGAELP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000381696825 324247811 /nfs/dbraw/zinc/24/78/11/324247811.db2.gz FRSAVBONSAXRLP-UHFFFAOYSA-N 3 2 349.522 3.429 10 0 EGAELP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000381696825 324247814 /nfs/dbraw/zinc/24/78/14/324247814.db2.gz FRSAVBONSAXRLP-UHFFFAOYSA-N 3 2 349.522 3.429 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)Cc2ccccc2)c(C)c1 ZINC000579029370 325052764 /nfs/dbraw/zinc/05/27/64/325052764.db2.gz FFGYBKFLPUDKKN-IFMALSPDSA-N 2 2 349.478 3.434 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000580250154 325223421 /nfs/dbraw/zinc/22/34/21/325223421.db2.gz YTHNQLABGOQCDA-SMDDNHRTSA-N 2 2 336.361 3.348 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000580250154 325223425 /nfs/dbraw/zinc/22/34/25/325223425.db2.gz YTHNQLABGOQCDA-SMDDNHRTSA-N 2 2 336.361 3.348 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NCc1ccc[nH+]c1N1CCOCC1 ZINC000581008481 325320184 /nfs/dbraw/zinc/32/01/84/325320184.db2.gz IYEWNFRQVWWFAQ-UHFFFAOYSA-N 2 2 334.423 3.387 10 0 EGAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020518 325321545 /nfs/dbraw/zinc/32/15/45/325321545.db2.gz XTCASDQTLQBTLZ-MFKMUULPSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020518 325321548 /nfs/dbraw/zinc/32/15/48/325321548.db2.gz XTCASDQTLQBTLZ-MFKMUULPSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020519 325321842 /nfs/dbraw/zinc/32/18/42/325321842.db2.gz XTCASDQTLQBTLZ-ZWNOBZJWSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000581020519 325321843 /nfs/dbraw/zinc/32/18/43/325321843.db2.gz XTCASDQTLQBTLZ-ZWNOBZJWSA-N 2 2 340.349 3.067 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657337 455219172 /nfs/dbraw/zinc/21/91/72/455219172.db2.gz GYBQCFZABNSLDZ-UZLBHIALSA-N 2 2 346.434 3.328 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469954 460566054 /nfs/dbraw/zinc/56/60/54/460566054.db2.gz XXALOAFXSFPCOS-LPHOPBHVSA-N 3 2 330.520 3.069 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623469954 460566060 /nfs/dbraw/zinc/56/60/60/460566060.db2.gz XXALOAFXSFPCOS-LPHOPBHVSA-N 3 2 330.520 3.069 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183600894 455310018 /nfs/dbraw/zinc/31/00/18/455310018.db2.gz FJFVPFPNNZQSKO-CQSZACIVSA-N 2 2 349.438 3.133 10 0 EGAELP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C2CC2)[nH+]1 ZINC000190448472 455319810 /nfs/dbraw/zinc/31/98/10/455319810.db2.gz UPJBREDIIYQIQI-QGZVFWFLSA-N 2 2 337.471 3.016 10 0 EGAELP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(C2CC2)[nH+]1 ZINC000190448472 455319815 /nfs/dbraw/zinc/31/98/15/455319815.db2.gz UPJBREDIIYQIQI-QGZVFWFLSA-N 2 2 337.471 3.016 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496075 460581474 /nfs/dbraw/zinc/58/14/74/460581474.db2.gz GERIVINULQAQKB-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496075 460581476 /nfs/dbraw/zinc/58/14/76/460581476.db2.gz GERIVINULQAQKB-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886432 460588908 /nfs/dbraw/zinc/58/89/08/460588908.db2.gz HBWVXWPBBZWPMM-GDBMZVCRSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886432 460588914 /nfs/dbraw/zinc/58/89/14/460588914.db2.gz HBWVXWPBBZWPMM-GDBMZVCRSA-N 2 2 346.862 3.006 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245681933 455354554 /nfs/dbraw/zinc/35/45/54/455354554.db2.gz PGIBWJBHCBCLTK-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245681933 455354560 /nfs/dbraw/zinc/35/45/60/455354560.db2.gz PGIBWJBHCBCLTK-DNVCBOLYSA-N 2 2 339.418 3.291 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1(C)C ZINC000623534546 460599964 /nfs/dbraw/zinc/59/99/64/460599964.db2.gz UCCVECIVVSZCMF-AWEZNQCLSA-N 3 2 332.879 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1(C)C ZINC000623534546 460599967 /nfs/dbraw/zinc/59/99/67/460599967.db2.gz UCCVECIVVSZCMF-AWEZNQCLSA-N 3 2 332.879 3.488 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1(C)C ZINC000623534546 460599971 /nfs/dbraw/zinc/59/99/71/460599971.db2.gz UCCVECIVVSZCMF-AWEZNQCLSA-N 2 2 332.879 3.488 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1(C)C ZINC000623534546 460599977 /nfs/dbraw/zinc/59/99/77/460599977.db2.gz UCCVECIVVSZCMF-AWEZNQCLSA-N 2 2 332.879 3.488 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000131446418 454254934 /nfs/dbraw/zinc/25/49/34/454254934.db2.gz JADXLPLFAGIZGK-AWEZNQCLSA-N 2 2 335.883 3.303 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1NC(C)=O ZINC000090847163 454345564 /nfs/dbraw/zinc/34/55/64/454345564.db2.gz BHQIEIASPWYEPZ-CQSZACIVSA-N 2 2 327.428 3.250 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015390 454384896 /nfs/dbraw/zinc/38/48/96/454384896.db2.gz MILNEADOVQMODD-FUHWJXTLSA-N 2 2 342.487 3.134 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015390 454384902 /nfs/dbraw/zinc/38/49/02/454384902.db2.gz MILNEADOVQMODD-FUHWJXTLSA-N 2 2 342.487 3.134 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015230 454384955 /nfs/dbraw/zinc/38/49/55/454384955.db2.gz MILNEADOVQMODD-WMZOPIPTSA-N 2 2 342.487 3.134 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015230 454384961 /nfs/dbraw/zinc/38/49/61/454384961.db2.gz MILNEADOVQMODD-WMZOPIPTSA-N 2 2 342.487 3.134 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000097115654 454412848 /nfs/dbraw/zinc/41/28/48/454412848.db2.gz SZIVIKNAVXRFGI-UHFFFAOYSA-N 2 2 342.462 3.041 10 0 EGAELP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000091743450 454466538 /nfs/dbraw/zinc/46/65/38/454466538.db2.gz RFRNAZHIVYAVHR-IBGZPJMESA-N 2 2 345.874 3.023 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)C[C@@H](C)O1 ZINC000606157841 460639090 /nfs/dbraw/zinc/63/90/90/460639090.db2.gz PHESYOPYFZFZNT-ZIAGYGMSSA-N 2 2 337.427 3.311 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H]1n1cc[nH+]c1 ZINC000246247141 455457000 /nfs/dbraw/zinc/45/70/00/455457000.db2.gz IUPBWFKWFMTWNB-CXAGYDPISA-N 2 2 347.846 3.486 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C[C@H]1n1cc[nH+]c1 ZINC000246247141 455457003 /nfs/dbraw/zinc/45/70/03/455457003.db2.gz IUPBWFKWFMTWNB-CXAGYDPISA-N 2 2 347.846 3.486 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000122946113 454585792 /nfs/dbraw/zinc/58/57/92/454585792.db2.gz BOSZYFOUBABWIG-QMHKHESXSA-N 2 2 331.485 3.020 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000122946113 454585798 /nfs/dbraw/zinc/58/57/98/454585798.db2.gz BOSZYFOUBABWIG-QMHKHESXSA-N 2 2 331.485 3.020 10 0 EGAELP CN(c1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000134927644 454611271 /nfs/dbraw/zinc/61/12/71/454611271.db2.gz QWLXJTQRUNRNFC-RDTXWAMCSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1)C1CC1 ZINC000134927644 454611275 /nfs/dbraw/zinc/61/12/75/454611275.db2.gz QWLXJTQRUNRNFC-RDTXWAMCSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1)C1CC1 ZINC000134927644 454611279 /nfs/dbraw/zinc/61/12/79/454611279.db2.gz QWLXJTQRUNRNFC-RDTXWAMCSA-N 2 2 346.544 3.190 10 0 EGAELP CN(c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1)C1CC1 ZINC000134927644 454611282 /nfs/dbraw/zinc/61/12/82/454611282.db2.gz QWLXJTQRUNRNFC-RDTXWAMCSA-N 2 2 346.544 3.190 10 0 EGAELP C[NH+]1CCC(CNC(=O)CCCC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000080661059 454613545 /nfs/dbraw/zinc/61/35/45/454613545.db2.gz CQXKOAFWVYQEQF-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)CC3 ZINC000123452822 454639294 /nfs/dbraw/zinc/63/92/94/454639294.db2.gz PUDQIMBLEMFZFQ-PZPWOCDFSA-N 2 2 341.499 3.352 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)CC3 ZINC000123452822 454639299 /nfs/dbraw/zinc/63/92/99/454639299.db2.gz PUDQIMBLEMFZFQ-PZPWOCDFSA-N 2 2 341.499 3.352 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000105897587 454665916 /nfs/dbraw/zinc/66/59/16/454665916.db2.gz KDTHQPIEVZNYBK-YOEHRIQHSA-N 2 2 335.398 3.094 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000105897587 454665921 /nfs/dbraw/zinc/66/59/21/454665921.db2.gz KDTHQPIEVZNYBK-YOEHRIQHSA-N 2 2 335.398 3.094 10 0 EGAELP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000106128366 454681392 /nfs/dbraw/zinc/68/13/92/454681392.db2.gz ZFJVURZIVOBDNB-UHFFFAOYSA-N 2 2 340.515 3.405 10 0 EGAELP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000106128366 454681395 /nfs/dbraw/zinc/68/13/95/454681395.db2.gz ZFJVURZIVOBDNB-UHFFFAOYSA-N 2 2 340.515 3.405 10 0 EGAELP Cc1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc2ccccc12 ZINC000123857864 454683281 /nfs/dbraw/zinc/68/32/81/454683281.db2.gz MFEVKZRTSDPYSB-MRXNPFEDSA-N 2 2 335.455 3.126 10 0 EGAELP Cc1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc2ccccc12 ZINC000123857864 454683285 /nfs/dbraw/zinc/68/32/85/454683285.db2.gz MFEVKZRTSDPYSB-MRXNPFEDSA-N 2 2 335.455 3.126 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000106212001 454685874 /nfs/dbraw/zinc/68/58/74/454685874.db2.gz GFQGAEAUDLMJQJ-MRXNPFEDSA-N 2 2 327.428 3.054 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000106212001 454685877 /nfs/dbraw/zinc/68/58/77/454685877.db2.gz GFQGAEAUDLMJQJ-MRXNPFEDSA-N 2 2 327.428 3.054 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095326 454685911 /nfs/dbraw/zinc/68/59/11/454685911.db2.gz XJIGHMYUESPVSR-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095326 454685915 /nfs/dbraw/zinc/68/59/15/454685915.db2.gz XJIGHMYUESPVSR-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095326 454685916 /nfs/dbraw/zinc/68/59/16/454685916.db2.gz XJIGHMYUESPVSR-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000081095326 454685919 /nfs/dbraw/zinc/68/59/19/454685919.db2.gz XJIGHMYUESPVSR-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000106216297 454686047 /nfs/dbraw/zinc/68/60/47/454686047.db2.gz KSNPMTWCVWMFRX-GOSISDBHSA-N 2 2 344.503 3.089 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000106216297 454686051 /nfs/dbraw/zinc/68/60/51/454686051.db2.gz KSNPMTWCVWMFRX-GOSISDBHSA-N 2 2 344.503 3.089 10 0 EGAELP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000162578909 454785519 /nfs/dbraw/zinc/78/55/19/454785519.db2.gz LBGVDUALBXXPPF-IBGZPJMESA-N 2 2 337.467 3.206 10 0 EGAELP c1csc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177089015 454821098 /nfs/dbraw/zinc/82/10/98/454821098.db2.gz KLPCIOOVIZCTGI-HNNXBMFYSA-N 2 2 325.441 3.103 10 0 EGAELP c1csc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000177089015 454821102 /nfs/dbraw/zinc/82/11/02/454821102.db2.gz KLPCIOOVIZCTGI-HNNXBMFYSA-N 2 2 325.441 3.103 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000163273014 454835913 /nfs/dbraw/zinc/83/59/13/454835913.db2.gz UDTBMRJBOLQPBG-ZFWWWQNUSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)C1 ZINC000163273014 454835916 /nfs/dbraw/zinc/83/59/16/454835916.db2.gz UDTBMRJBOLQPBG-ZFWWWQNUSA-N 2 2 347.894 3.222 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000163308567 454838687 /nfs/dbraw/zinc/83/86/87/454838687.db2.gz FDTHCFYWXZYUDT-UONOGXRCSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000163308567 454838690 /nfs/dbraw/zinc/83/86/90/454838690.db2.gz FDTHCFYWXZYUDT-UONOGXRCSA-N 2 2 341.293 3.211 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425656 454846739 /nfs/dbraw/zinc/84/67/39/454846739.db2.gz WFCBGJMPICCKRS-DOTOQJQBSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425656 454846744 /nfs/dbraw/zinc/84/67/44/454846744.db2.gz WFCBGJMPICCKRS-DOTOQJQBSA-N 2 2 342.430 3.440 10 0 EGAELP C[NH+](C)Cc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1F ZINC000126933220 454927915 /nfs/dbraw/zinc/92/79/15/454927915.db2.gz ANFJKEPLTUYNEM-LJQANCHMSA-N 2 2 338.430 3.490 10 0 EGAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643390 454947216 /nfs/dbraw/zinc/94/72/16/454947216.db2.gz OUDMKWLHLGRLRE-NEWSRXKRSA-N 2 2 339.439 3.178 10 0 EGAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643390 454947218 /nfs/dbraw/zinc/94/72/18/454947218.db2.gz OUDMKWLHLGRLRE-NEWSRXKRSA-N 2 2 339.439 3.178 10 0 EGAELP CCOCc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180120824 455135116 /nfs/dbraw/zinc/13/51/16/455135116.db2.gz JVPNJELWRARVMP-LJQANCHMSA-N 2 2 343.471 3.401 10 0 EGAELP CCOCc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC ZINC000180120824 455135118 /nfs/dbraw/zinc/13/51/18/455135118.db2.gz JVPNJELWRARVMP-LJQANCHMSA-N 2 2 343.471 3.401 10 0 EGAELP C[NH+]1CCC(CNC(=O)CCC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000172752720 455182489 /nfs/dbraw/zinc/18/24/89/455182489.db2.gz QVKKEDWJCBLOIO-UHFFFAOYSA-N 2 2 349.563 3.413 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)cc(F)c2)nc[nH+]1 ZINC000180575106 455201028 /nfs/dbraw/zinc/20/10/28/455201028.db2.gz MNBVOOACFUCTLM-LRDDRELGSA-N 2 2 347.413 3.116 10 0 EGAELP COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180620575 455211094 /nfs/dbraw/zinc/21/10/94/455211094.db2.gz SJAZTSOOVXNWIP-HNNXBMFYSA-N 2 2 337.423 3.341 10 0 EGAELP COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180620575 455211096 /nfs/dbraw/zinc/21/10/96/455211096.db2.gz SJAZTSOOVXNWIP-HNNXBMFYSA-N 2 2 337.423 3.341 10 0 EGAELP COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180620562 455211199 /nfs/dbraw/zinc/21/11/99/455211199.db2.gz SJAZTSOOVXNWIP-OAHLLOKOSA-N 2 2 337.423 3.341 10 0 EGAELP COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180620562 455211202 /nfs/dbraw/zinc/21/12/02/455211202.db2.gz SJAZTSOOVXNWIP-OAHLLOKOSA-N 2 2 337.423 3.341 10 0 EGAELP CSc1ccccc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265471253 455330998 /nfs/dbraw/zinc/33/09/98/455330998.db2.gz HYGIUSOJYAWDDP-UHFFFAOYSA-N 2 2 344.484 3.340 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000245691037 455356693 /nfs/dbraw/zinc/35/66/93/455356693.db2.gz ARPVKEITAYAQRQ-UKRRQHHQSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000245691037 455356696 /nfs/dbraw/zinc/35/66/96/455356696.db2.gz ARPVKEITAYAQRQ-UKRRQHHQSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1OC(F)F ZINC000245691037 455356697 /nfs/dbraw/zinc/35/66/97/455356697.db2.gz ARPVKEITAYAQRQ-UKRRQHHQSA-N 2 2 340.414 3.213 10 0 EGAELP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1OC(F)F ZINC000245691037 455356702 /nfs/dbraw/zinc/35/67/02/455356702.db2.gz ARPVKEITAYAQRQ-UKRRQHHQSA-N 2 2 340.414 3.213 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245726982 455365459 /nfs/dbraw/zinc/36/54/59/455365459.db2.gz DVPIHYIFHUKIFZ-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245726982 455365461 /nfs/dbraw/zinc/36/54/61/455365461.db2.gz DVPIHYIFHUKIFZ-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000247113660 455560289 /nfs/dbraw/zinc/56/02/89/455560289.db2.gz QSOBNYMEHQYODC-KBXCAEBGSA-N 3 2 330.451 3.140 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000247113660 455560294 /nfs/dbraw/zinc/56/02/94/455560294.db2.gz QSOBNYMEHQYODC-KBXCAEBGSA-N 3 2 330.451 3.140 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000247578373 455627228 /nfs/dbraw/zinc/62/72/28/455627228.db2.gz IBEYMIAJLHXCOY-RHSMWYFYSA-N 2 2 344.434 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000247578373 455627232 /nfs/dbraw/zinc/62/72/32/455627232.db2.gz IBEYMIAJLHXCOY-RHSMWYFYSA-N 2 2 344.434 3.249 10 0 EGAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247770850 455645049 /nfs/dbraw/zinc/64/50/49/455645049.db2.gz WBTTUKWFKWVNCH-XJKSGUPXSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000247770850 455645052 /nfs/dbraw/zinc/64/50/52/455645052.db2.gz WBTTUKWFKWVNCH-XJKSGUPXSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cncc(F)c1 ZINC000247949193 455659313 /nfs/dbraw/zinc/65/93/13/455659313.db2.gz DVNXCCHBJZASCL-ZRGWGRIASA-N 2 2 328.435 3.177 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cncc(F)c1 ZINC000247949193 455659318 /nfs/dbraw/zinc/65/93/18/455659318.db2.gz DVNXCCHBJZASCL-ZRGWGRIASA-N 2 2 328.435 3.177 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149517 455688486 /nfs/dbraw/zinc/68/84/86/455688486.db2.gz QPIJTIIRWAIRKJ-QWHCGFSZSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149517 455688490 /nfs/dbraw/zinc/68/84/90/455688490.db2.gz QPIJTIIRWAIRKJ-QWHCGFSZSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149517 455688494 /nfs/dbraw/zinc/68/84/94/455688494.db2.gz QPIJTIIRWAIRKJ-QWHCGFSZSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@H]21 ZINC000248149517 455688498 /nfs/dbraw/zinc/68/84/98/455688498.db2.gz QPIJTIIRWAIRKJ-QWHCGFSZSA-N 2 2 329.307 3.427 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000248160565 455690472 /nfs/dbraw/zinc/69/04/72/455690472.db2.gz SAFYQNBDWMDMGG-KBPBESRZSA-N 2 2 349.504 3.480 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000248160565 455690474 /nfs/dbraw/zinc/69/04/74/455690474.db2.gz SAFYQNBDWMDMGG-KBPBESRZSA-N 2 2 349.504 3.480 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000268869626 455716925 /nfs/dbraw/zinc/71/69/25/455716925.db2.gz HIASWPPJHJOUDF-XUJVJEKNSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CC[N@H+]1C ZINC000268869626 455716927 /nfs/dbraw/zinc/71/69/27/455716927.db2.gz HIASWPPJHJOUDF-XUJVJEKNSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249391038 455752923 /nfs/dbraw/zinc/75/29/23/455752923.db2.gz FZIZUELQILMXRK-DUXKGJEZSA-N 2 2 345.531 3.213 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249391038 455752931 /nfs/dbraw/zinc/75/29/31/455752931.db2.gz FZIZUELQILMXRK-DUXKGJEZSA-N 2 2 345.531 3.213 10 0 EGAELP Cc1cn2cc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000606569842 460698311 /nfs/dbraw/zinc/69/83/11/460698311.db2.gz BCPJJBZMAKBNSS-CQSZACIVSA-N 2 2 343.475 3.275 10 0 EGAELP Cc1cn2cc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000606569842 460698317 /nfs/dbraw/zinc/69/83/17/460698317.db2.gz BCPJJBZMAKBNSS-CQSZACIVSA-N 2 2 343.475 3.275 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000270291152 455921573 /nfs/dbraw/zinc/92/15/73/455921573.db2.gz OXMNCICEFBLCIF-NHCUHLMSSA-N 2 2 332.451 3.407 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195271501 455939897 /nfs/dbraw/zinc/93/98/97/455939897.db2.gz NLBDGDXOVUWRKS-QGZVFWFLSA-N 2 2 330.863 3.084 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195271501 455939899 /nfs/dbraw/zinc/93/98/99/455939899.db2.gz NLBDGDXOVUWRKS-QGZVFWFLSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000195271501 455939905 /nfs/dbraw/zinc/93/99/05/455939905.db2.gz NLBDGDXOVUWRKS-QGZVFWFLSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000195271501 455939909 /nfs/dbraw/zinc/93/99/09/455939909.db2.gz NLBDGDXOVUWRKS-QGZVFWFLSA-N 2 2 330.863 3.084 10 0 EGAELP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)CC(C)C ZINC000620615783 460706296 /nfs/dbraw/zinc/70/62/96/460706296.db2.gz MXWMAKUHFLNVFZ-SFHVURJKSA-N 2 2 341.503 3.437 10 0 EGAELP CC[NH+]1CCN(c2ccccc2N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000297064022 456107202 /nfs/dbraw/zinc/10/72/02/456107202.db2.gz WDEZNXPXNNYQPB-WBVHZDCISA-N 2 2 325.460 3.143 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)n1C ZINC000623800471 460723188 /nfs/dbraw/zinc/72/31/88/460723188.db2.gz LJDGCNJNLWHFTB-UHFFFAOYSA-N 2 2 349.841 3.092 10 0 EGAELP COCCC1(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)CCCCC1 ZINC000189035602 456206496 /nfs/dbraw/zinc/20/64/96/456206496.db2.gz ZKXKPBNDTGCKAP-UHFFFAOYSA-N 2 2 328.460 3.344 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000290216708 456269240 /nfs/dbraw/zinc/26/92/40/456269240.db2.gz QMAXHIJBMLCFOJ-GVDBMIGSSA-N 2 2 342.512 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000290216708 456269242 /nfs/dbraw/zinc/26/92/42/456269242.db2.gz QMAXHIJBMLCFOJ-GVDBMIGSSA-N 2 2 342.512 3.101 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337567648 456385472 /nfs/dbraw/zinc/38/54/72/456385472.db2.gz RFJCFELXDKJYBE-HOTGVXAUSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337567643 456385685 /nfs/dbraw/zinc/38/56/85/456385685.db2.gz RFJCFELXDKJYBE-CVEARBPZSA-N 2 2 346.519 3.092 10 0 EGAELP CN(C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000298494384 456471972 /nfs/dbraw/zinc/47/19/72/456471972.db2.gz JRTIYZRYGNMRDS-TZIWHRDSSA-N 2 2 337.467 3.075 10 0 EGAELP CN(C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000298494384 456471977 /nfs/dbraw/zinc/47/19/77/456471977.db2.gz JRTIYZRYGNMRDS-TZIWHRDSSA-N 2 2 337.467 3.075 10 0 EGAELP c1ccc(CN2CCCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298599621 456497739 /nfs/dbraw/zinc/49/77/39/456497739.db2.gz ZAKFQKXNVPINIL-NRFANRHFSA-N 2 2 327.516 3.258 10 0 EGAELP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)Cn3cncn3)ccc2n1C1CC1 ZINC000340535065 456517419 /nfs/dbraw/zinc/51/74/19/456517419.db2.gz DBVVOLPBIKOLBL-HNNXBMFYSA-N 2 2 338.459 3.094 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000291073473 456518783 /nfs/dbraw/zinc/51/87/83/456518783.db2.gz SGGRROKNGOJPEW-UHFFFAOYSA-N 2 2 340.414 3.131 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)s1 ZINC000353213331 456565194 /nfs/dbraw/zinc/56/51/94/456565194.db2.gz AHAFQQJQJKVLMX-BDAKNGLRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)s1 ZINC000353213331 456565198 /nfs/dbraw/zinc/56/51/98/456565198.db2.gz AHAFQQJQJKVLMX-BDAKNGLRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320177 462476909 /nfs/dbraw/zinc/47/69/09/462476909.db2.gz PJJCUMRKKJKAFI-PKOBYXMFSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320177 462476914 /nfs/dbraw/zinc/47/69/14/462476914.db2.gz PJJCUMRKKJKAFI-PKOBYXMFSA-N 2 2 338.499 3.373 10 0 EGAELP Cn1c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2sc1=O ZINC000353365698 456650467 /nfs/dbraw/zinc/65/04/67/456650467.db2.gz VPRSKAFFMKSVBW-UHFFFAOYSA-N 2 2 345.512 3.050 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000338007410 456652690 /nfs/dbraw/zinc/65/26/90/456652690.db2.gz MDODONFXDLTBJG-NJYVYQBISA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000338007410 456652699 /nfs/dbraw/zinc/65/26/99/456652699.db2.gz MDODONFXDLTBJG-NJYVYQBISA-N 2 2 328.500 3.446 10 0 EGAELP Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236330 456663562 /nfs/dbraw/zinc/66/35/62/456663562.db2.gz WUJBXTIHQSNBDQ-QAPCUYQASA-N 2 2 329.419 3.445 10 0 EGAELP Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000324236330 456663565 /nfs/dbraw/zinc/66/35/65/456663565.db2.gz WUJBXTIHQSNBDQ-QAPCUYQASA-N 2 2 329.419 3.445 10 0 EGAELP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655619 456670960 /nfs/dbraw/zinc/67/09/60/456670960.db2.gz YSVOHXBHSKHZEB-HOCLYGCPSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324655619 456670967 /nfs/dbraw/zinc/67/09/67/456670967.db2.gz YSVOHXBHSKHZEB-HOCLYGCPSA-N 2 2 346.862 3.354 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)C[NH+]1CCOCC1 ZINC000341703322 456907536 /nfs/dbraw/zinc/90/75/36/456907536.db2.gz YUIFXNFPKGFIQI-YOEHRIQHSA-N 2 2 338.879 3.112 10 0 EGAELP CO[C@H](C)C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879701 456983802 /nfs/dbraw/zinc/98/38/02/456983802.db2.gz CLRGCZXVEDFWBY-QUCCMNQESA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879701 456983806 /nfs/dbraw/zinc/98/38/06/456983806.db2.gz CLRGCZXVEDFWBY-QUCCMNQESA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879701 456983810 /nfs/dbraw/zinc/98/38/10/456983810.db2.gz CLRGCZXVEDFWBY-QUCCMNQESA-N 2 2 334.504 3.023 10 0 EGAELP CO[C@H](C)C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341879701 456983814 /nfs/dbraw/zinc/98/38/14/456983814.db2.gz CLRGCZXVEDFWBY-QUCCMNQESA-N 2 2 334.504 3.023 10 0 EGAELP CCCC[C@H](CC)CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000339415369 457101553 /nfs/dbraw/zinc/10/15/53/457101553.db2.gz RHCOUXONXSOTKT-INIZCTEOSA-N 2 2 333.524 3.167 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000354196656 457124400 /nfs/dbraw/zinc/12/44/00/457124400.db2.gz XDRJZKQMSDKDEN-KRWDZBQOSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000354196656 457124407 /nfs/dbraw/zinc/12/44/07/457124407.db2.gz XDRJZKQMSDKDEN-KRWDZBQOSA-N 2 2 342.487 3.068 10 0 EGAELP CC[N@H+](C)[C@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccccc1 ZINC000347192173 457280242 /nfs/dbraw/zinc/28/02/42/457280242.db2.gz GBLAQNCPUVWMJV-KRWDZBQOSA-N 2 2 333.395 3.425 10 0 EGAELP CC[N@@H+](C)[C@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccccc1 ZINC000347192173 457280246 /nfs/dbraw/zinc/28/02/46/457280246.db2.gz GBLAQNCPUVWMJV-KRWDZBQOSA-N 2 2 333.395 3.425 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700595 457439283 /nfs/dbraw/zinc/43/92/83/457439283.db2.gz SZBINCTUYIEEFZ-KXEVLKFVSA-N 3 2 327.516 3.302 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700595 457439287 /nfs/dbraw/zinc/43/92/87/457439287.db2.gz SZBINCTUYIEEFZ-KXEVLKFVSA-N 3 2 327.516 3.302 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012967 457511505 /nfs/dbraw/zinc/51/15/05/457511505.db2.gz LMHWJAZNXXPLAD-DZGCQCFKSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012967 457511510 /nfs/dbraw/zinc/51/15/10/457511510.db2.gz LMHWJAZNXXPLAD-DZGCQCFKSA-N 2 2 346.393 3.347 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201645 457520944 /nfs/dbraw/zinc/52/09/44/457520944.db2.gz WPCJQMDBUPVTPS-GFCCVEGCSA-N 2 2 332.835 3.270 10 0 EGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000374219209 457528501 /nfs/dbraw/zinc/52/85/01/457528501.db2.gz QLBLGHQIIXIMNA-MRXNPFEDSA-N 2 2 344.422 3.304 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1Br ZINC000401733257 457529263 /nfs/dbraw/zinc/52/92/63/457529263.db2.gz WDKMOOLLAZQUKF-NTZNESFSSA-N 2 2 327.266 3.106 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000425420485 457545382 /nfs/dbraw/zinc/54/53/82/457545382.db2.gz MKQRSWPEBVSJEX-OXQOHEQNSA-N 2 2 333.439 3.423 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000425420485 457545385 /nfs/dbraw/zinc/54/53/85/457545385.db2.gz MKQRSWPEBVSJEX-OXQOHEQNSA-N 2 2 333.439 3.423 10 0 EGAELP CCOC(=O)CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374319965 457583393 /nfs/dbraw/zinc/58/33/93/457583393.db2.gz DGVCOHAPLTVDCX-INIZCTEOSA-N 2 2 333.476 3.132 10 0 EGAELP CCOC(=O)CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374319965 457583396 /nfs/dbraw/zinc/58/33/96/457583396.db2.gz DGVCOHAPLTVDCX-INIZCTEOSA-N 2 2 333.476 3.132 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000433063668 457656891 /nfs/dbraw/zinc/65/68/91/457656891.db2.gz YPHUURVSMLXKBE-PKOBYXMFSA-N 2 2 328.500 3.182 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000433063668 457656893 /nfs/dbraw/zinc/65/68/93/457656893.db2.gz YPHUURVSMLXKBE-PKOBYXMFSA-N 2 2 328.500 3.182 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000361295646 457682729 /nfs/dbraw/zinc/68/27/29/457682729.db2.gz KNZLCLMUNZDVIW-UHFFFAOYSA-N 2 2 344.503 3.362 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CC(=O)NC(C)(C)C ZINC000361295646 457682732 /nfs/dbraw/zinc/68/27/32/457682732.db2.gz KNZLCLMUNZDVIW-UHFFFAOYSA-N 2 2 344.503 3.362 10 0 EGAELP COC(=O)[C@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361300499 457684485 /nfs/dbraw/zinc/68/44/85/457684485.db2.gz QUPGTSKFOQOIGZ-INIZCTEOSA-N 2 2 329.444 3.010 10 0 EGAELP COC(=O)[C@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361300499 457684488 /nfs/dbraw/zinc/68/44/88/457684488.db2.gz QUPGTSKFOQOIGZ-INIZCTEOSA-N 2 2 329.444 3.010 10 0 EGAELP Cc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3nccs3)CC2)c[nH+]1 ZINC000374679621 457685653 /nfs/dbraw/zinc/68/56/53/457685653.db2.gz NZLUGEOKPJWFIK-CYBMUJFWSA-N 2 2 330.457 3.053 10 0 EGAELP C[N@H+](Cc1cncc(F)c1)[C@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000370690192 457701191 /nfs/dbraw/zinc/70/11/91/457701191.db2.gz NVSTUUKHDVTKIX-IBGZPJMESA-N 2 2 346.425 3.241 10 0 EGAELP C[N@@H+](Cc1cncc(F)c1)[C@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000370690192 457701195 /nfs/dbraw/zinc/70/11/95/457701195.db2.gz NVSTUUKHDVTKIX-IBGZPJMESA-N 2 2 346.425 3.241 10 0 EGAELP C[NH+](Cc1cncc(F)c1)[C@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000370690192 457701198 /nfs/dbraw/zinc/70/11/98/457701198.db2.gz NVSTUUKHDVTKIX-IBGZPJMESA-N 2 2 346.425 3.241 10 0 EGAELP C[NH+](Cc1cncc(F)c1)[C@H]1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000370690192 457701202 /nfs/dbraw/zinc/70/12/02/457701202.db2.gz NVSTUUKHDVTKIX-IBGZPJMESA-N 2 2 346.425 3.241 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000361395341 457717509 /nfs/dbraw/zinc/71/75/09/457717509.db2.gz NMNIEWSOEZUPNA-DEOSSOPVSA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000361395341 457717511 /nfs/dbraw/zinc/71/75/11/457717511.db2.gz NMNIEWSOEZUPNA-DEOSSOPVSA-N 2 2 347.528 3.358 10 0 EGAELP COCCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000374895724 457729630 /nfs/dbraw/zinc/72/96/30/457729630.db2.gz MIGHSDGDHZQSKN-LJQANCHMSA-N 2 2 348.535 3.008 10 0 EGAELP COCCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000374895724 457729634 /nfs/dbraw/zinc/72/96/34/457729634.db2.gz MIGHSDGDHZQSKN-LJQANCHMSA-N 2 2 348.535 3.008 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000361531992 457774990 /nfs/dbraw/zinc/77/49/90/457774990.db2.gz UZECJXPJGWEYQG-CYBMUJFWSA-N 2 2 333.382 3.252 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124510 457801635 /nfs/dbraw/zinc/80/16/35/457801635.db2.gz HEXXEJHOWPQTNA-SKDRFNHKSA-N 2 2 349.219 3.090 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124510 457801643 /nfs/dbraw/zinc/80/16/43/457801643.db2.gz HEXXEJHOWPQTNA-SKDRFNHKSA-N 2 2 349.219 3.090 10 0 EGAELP C[NH+](C)CC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCCC1 ZINC000358735185 458179563 /nfs/dbraw/zinc/17/95/63/458179563.db2.gz PZPAODJHMHDARX-UHFFFAOYSA-N 2 2 348.878 3.116 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077199 458396922 /nfs/dbraw/zinc/39/69/22/458396922.db2.gz KZSDXAOBYBXTFJ-VSBTWAGUSA-N 2 2 341.268 3.374 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430077199 458396924 /nfs/dbraw/zinc/39/69/24/458396924.db2.gz KZSDXAOBYBXTFJ-VSBTWAGUSA-N 2 2 341.268 3.374 10 0 EGAELP COc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OCCC(C)C ZINC000459656697 458438235 /nfs/dbraw/zinc/43/82/35/458438235.db2.gz HKEWISNROHXLHU-UHFFFAOYSA-N 2 2 331.460 3.186 10 0 EGAELP Cc1ncc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000373482401 458504901 /nfs/dbraw/zinc/50/49/01/458504901.db2.gz HCCNRTCYGAOZBU-UHFFFAOYSA-N 2 2 333.423 3.346 10 0 EGAELP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377769550 458520415 /nfs/dbraw/zinc/52/04/15/458520415.db2.gz AODHESXVWDCAIB-NSHDSACASA-N 2 2 326.227 3.372 10 0 EGAELP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377769550 458520411 /nfs/dbraw/zinc/52/04/11/458520411.db2.gz AODHESXVWDCAIB-NSHDSACASA-N 2 2 326.227 3.372 10 0 EGAELP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000373836442 458618902 /nfs/dbraw/zinc/61/89/02/458618902.db2.gz LTHCCHZIOWWLKH-GFCCVEGCSA-N 2 2 326.375 3.110 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022975 458656519 /nfs/dbraw/zinc/65/65/19/458656519.db2.gz QHWNKYPSTPERHA-QZTJIDSGSA-N 2 2 349.906 3.076 10 0 EGAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000530022975 458656525 /nfs/dbraw/zinc/65/65/25/458656525.db2.gz QHWNKYPSTPERHA-QZTJIDSGSA-N 2 2 349.906 3.076 10 0 EGAELP [NH3+]CCC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530222301 458720959 /nfs/dbraw/zinc/72/09/59/458720959.db2.gz IJAZQJJWWBJAEW-UHFFFAOYSA-N 2 2 333.220 3.288 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000531737823 458971189 /nfs/dbraw/zinc/97/11/89/458971189.db2.gz WWPKFTINEFNLQR-IEBWSBKVSA-N 2 2 343.515 3.342 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000531737823 458971197 /nfs/dbraw/zinc/97/11/97/458971197.db2.gz WWPKFTINEFNLQR-IEBWSBKVSA-N 2 2 343.515 3.342 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609607 459060900 /nfs/dbraw/zinc/06/09/00/459060900.db2.gz DUOHKAZSFGMXNK-QZTJIDSGSA-N 3 2 336.483 3.054 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609607 459060903 /nfs/dbraw/zinc/06/09/03/459060903.db2.gz DUOHKAZSFGMXNK-QZTJIDSGSA-N 3 2 336.483 3.054 10 0 EGAELP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126629 459090465 /nfs/dbraw/zinc/09/04/65/459090465.db2.gz RDJUWNANYNYZHI-WIYYLYMNSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126629 459090471 /nfs/dbraw/zinc/09/04/71/459090471.db2.gz RDJUWNANYNYZHI-WIYYLYMNSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126629 459090476 /nfs/dbraw/zinc/09/04/76/459090476.db2.gz RDJUWNANYNYZHI-WIYYLYMNSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126629 459090480 /nfs/dbraw/zinc/09/04/80/459090480.db2.gz RDJUWNANYNYZHI-WIYYLYMNSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000532467006 459093345 /nfs/dbraw/zinc/09/33/45/459093345.db2.gz OIOHIYAQPXPRIJ-WFASDCNBSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000532467006 459093349 /nfs/dbraw/zinc/09/33/49/459093349.db2.gz OIOHIYAQPXPRIJ-WFASDCNBSA-N 2 2 343.393 3.106 10 0 EGAELP Cc1nc(C[NH2+]C2CC[NH+](CC3CC3)CC2)sc1Br ZINC000520965163 459107072 /nfs/dbraw/zinc/10/70/72/459107072.db2.gz MHTMFTJITDSANR-UHFFFAOYSA-N 2 2 344.322 3.178 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578359730 459187719 /nfs/dbraw/zinc/18/77/19/459187719.db2.gz ZYSZKLXGNZWVNC-IIBYNOLFSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578359730 459187726 /nfs/dbraw/zinc/18/77/26/459187726.db2.gz ZYSZKLXGNZWVNC-IIBYNOLFSA-N 2 2 337.467 3.242 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC000560158883 459305954 /nfs/dbraw/zinc/30/59/54/459305954.db2.gz FPSRMACRRCAZFX-ACRUOGEOSA-N 2 2 328.500 3.400 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC000560158883 459305960 /nfs/dbraw/zinc/30/59/60/459305960.db2.gz FPSRMACRRCAZFX-ACRUOGEOSA-N 2 2 328.500 3.400 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000582304855 459343111 /nfs/dbraw/zinc/34/31/11/459343111.db2.gz DTEFLQTZAJAABU-UHFFFAOYSA-N 2 2 342.430 3.105 10 0 EGAELP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1C ZINC000483192120 459349513 /nfs/dbraw/zinc/34/95/13/459349513.db2.gz CIBXBNFMZXQILY-HXUWFJFHSA-N 2 2 330.516 3.383 10 0 EGAELP Cc1c(C)c(C)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1C ZINC000483192120 459349521 /nfs/dbraw/zinc/34/95/21/459349521.db2.gz CIBXBNFMZXQILY-HXUWFJFHSA-N 2 2 330.516 3.383 10 0 EGAELP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000596148578 459536981 /nfs/dbraw/zinc/53/69/81/459536981.db2.gz JEIGWDBXGDXGAT-UHFFFAOYSA-N 2 2 331.460 3.006 10 0 EGAELP COc1cncc(/C=C\CC[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000583438211 459538352 /nfs/dbraw/zinc/53/83/52/459538352.db2.gz YJWGVKGBPMBRAP-HYXAFXHYSA-N 2 2 338.455 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698727 459706186 /nfs/dbraw/zinc/70/61/86/459706186.db2.gz CKTJHAQCGCFHRV-SEVLPDGMSA-N 2 2 328.500 3.302 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C1CC1 ZINC000527698727 459706190 /nfs/dbraw/zinc/70/61/90/459706190.db2.gz CKTJHAQCGCFHRV-SEVLPDGMSA-N 2 2 328.500 3.302 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccn(C)n1 ZINC000544580834 459770179 /nfs/dbraw/zinc/77/01/79/459770179.db2.gz BILIVPIADUFGOY-LJQANCHMSA-N 2 2 326.488 3.168 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528010126 459795772 /nfs/dbraw/zinc/79/57/72/459795772.db2.gz IPCGHATYVLTVEA-VQIMIIECSA-N 2 2 332.488 3.379 10 0 EGAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528010126 459795776 /nfs/dbraw/zinc/79/57/76/459795776.db2.gz IPCGHATYVLTVEA-VQIMIIECSA-N 2 2 332.488 3.379 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000597158390 459855285 /nfs/dbraw/zinc/85/52/85/459855285.db2.gz CGMNLVNMAAQYJM-IRXDYDNUSA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000597158390 459855290 /nfs/dbraw/zinc/85/52/90/459855290.db2.gz CGMNLVNMAAQYJM-IRXDYDNUSA-N 2 2 336.863 3.233 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)CC3 ZINC000545896819 459867858 /nfs/dbraw/zinc/86/78/58/459867858.db2.gz QNSXVLVYWALQQF-HOTGVXAUSA-N 2 2 341.499 3.498 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)CC3 ZINC000545896819 459867863 /nfs/dbraw/zinc/86/78/63/459867863.db2.gz QNSXVLVYWALQQF-HOTGVXAUSA-N 2 2 341.499 3.498 10 0 EGAELP CC[NH+]1CCC([N@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621710772 460017909 /nfs/dbraw/zinc/01/79/09/460017909.db2.gz PQBGTCRIROTSCS-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CC[NH+]1CCC([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621710772 460017918 /nfs/dbraw/zinc/01/79/18/460017918.db2.gz PQBGTCRIROTSCS-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718008 460021960 /nfs/dbraw/zinc/02/19/60/460021960.db2.gz VZNSPTGTHSZBLI-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718008 460021967 /nfs/dbraw/zinc/02/19/67/460021967.db2.gz VZNSPTGTHSZBLI-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718008 460021970 /nfs/dbraw/zinc/02/19/70/460021970.db2.gz VZNSPTGTHSZBLI-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnn1CCc1ccccc1 ZINC000621718008 460021975 /nfs/dbraw/zinc/02/19/75/460021975.db2.gz VZNSPTGTHSZBLI-HXUWFJFHSA-N 2 2 340.515 3.432 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614350208 460109077 /nfs/dbraw/zinc/10/90/77/460109077.db2.gz WLHAPHIOKGFDMK-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000614350208 460109081 /nfs/dbraw/zinc/10/90/81/460109081.db2.gz WLHAPHIOKGFDMK-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576396202 460132575 /nfs/dbraw/zinc/13/25/75/460132575.db2.gz ZNVGCFWWCATHQP-PKOBYXMFSA-N 2 2 343.858 3.148 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC000626089471 460367165 /nfs/dbraw/zinc/36/71/65/460367165.db2.gz RZMCGMCQTIGLJM-UHFFFAOYSA-N 2 2 345.531 3.090 10 0 EGAELP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000623089642 460409085 /nfs/dbraw/zinc/40/90/85/460409085.db2.gz QHEPQPHPUPTWHD-UHFFFAOYSA-N 2 2 334.414 3.143 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]CC(C2CCC2)C2CCC2)CC1 ZINC000600185660 460426327 /nfs/dbraw/zinc/42/63/27/460426327.db2.gz YOWWMOVFJUOSCY-UHFFFAOYSA-N 2 2 336.520 3.210 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000628475878 460430511 /nfs/dbraw/zinc/43/05/11/460430511.db2.gz DQLPZCWBOHSLFM-UHFFFAOYSA-N 2 2 346.515 3.389 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771076 460438830 /nfs/dbraw/zinc/43/88/30/460438830.db2.gz MFHFCXDWSWPTLK-WFASDCNBSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771076 460438840 /nfs/dbraw/zinc/43/88/40/460438840.db2.gz MFHFCXDWSWPTLK-WFASDCNBSA-N 2 2 343.393 3.106 10 0 EGAELP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000634733444 460497219 /nfs/dbraw/zinc/49/72/19/460497219.db2.gz FYMLDZXYJBCCFI-LBPRGKRZSA-N 2 2 327.266 3.023 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000623356539 460507066 /nfs/dbraw/zinc/50/70/66/460507066.db2.gz WEKNNTKZJZXWHO-HXUWFJFHSA-N 3 2 329.532 3.156 10 0 EGAELP C[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000628772736 460539597 /nfs/dbraw/zinc/53/95/97/460539597.db2.gz IJKLBHQDZFUXBW-RHSMWYFYSA-N 2 2 344.434 3.019 10 0 EGAELP CC[C@H](C)[N@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623932010 460785649 /nfs/dbraw/zinc/78/56/49/460785649.db2.gz VDTOPAVFSFUMPP-HNNXBMFYSA-N 2 2 325.460 3.139 10 0 EGAELP CC[C@H](C)[N@@H+](C)CCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623932010 460785650 /nfs/dbraw/zinc/78/56/50/460785650.db2.gz VDTOPAVFSFUMPP-HNNXBMFYSA-N 2 2 325.460 3.139 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584948 460815687 /nfs/dbraw/zinc/81/56/87/460815687.db2.gz XPHGNHGLXODUOE-ONGXBYRLSA-N 2 2 337.467 3.098 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584948 460815694 /nfs/dbraw/zinc/81/56/94/460815694.db2.gz XPHGNHGLXODUOE-ONGXBYRLSA-N 2 2 337.467 3.098 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCCC34CC4)c2cc1C ZINC000629620066 460831838 /nfs/dbraw/zinc/83/18/38/460831838.db2.gz ZSNCRXDTEJDDJJ-IRXDYDNUSA-N 2 2 327.472 3.184 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000629653625 460849815 /nfs/dbraw/zinc/84/98/15/460849815.db2.gz KTIMBEKRSWMZHF-RBUKOAKNSA-N 2 2 346.906 3.432 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629657485 460852408 /nfs/dbraw/zinc/85/24/08/460852408.db2.gz YKCOCNLJCYPQQY-HOTGVXAUSA-N 2 2 342.405 3.435 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629657485 460852410 /nfs/dbraw/zinc/85/24/10/460852410.db2.gz YKCOCNLJCYPQQY-HOTGVXAUSA-N 2 2 342.405 3.435 10 0 EGAELP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122079 460870132 /nfs/dbraw/zinc/87/01/32/460870132.db2.gz JHKFEPARPKLMJX-BEFAXECRSA-N 2 2 328.435 3.027 10 0 EGAELP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122079 460870135 /nfs/dbraw/zinc/87/01/35/460870135.db2.gz JHKFEPARPKLMJX-BEFAXECRSA-N 2 2 328.435 3.027 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000608075694 460977557 /nfs/dbraw/zinc/97/75/57/460977557.db2.gz WJDSUXXPPDWAIN-QGZVFWFLSA-N 2 2 335.407 3.222 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621350997 461002537 /nfs/dbraw/zinc/00/25/37/461002537.db2.gz AWMBEFWLUUPHOS-MRXNPFEDSA-N 2 2 344.421 3.375 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621350997 461002547 /nfs/dbraw/zinc/00/25/47/461002547.db2.gz AWMBEFWLUUPHOS-MRXNPFEDSA-N 2 2 344.421 3.375 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183445 461035175 /nfs/dbraw/zinc/03/51/75/461035175.db2.gz BVWDQFRBATZTNV-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183445 461035182 /nfs/dbraw/zinc/03/51/82/461035182.db2.gz BVWDQFRBATZTNV-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ncc1Br ZINC000628183445 461035187 /nfs/dbraw/zinc/03/51/87/461035187.db2.gz BVWDQFRBATZTNV-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ncc1Br ZINC000628183445 461035192 /nfs/dbraw/zinc/03/51/92/461035192.db2.gz BVWDQFRBATZTNV-GXTWGEPZSA-N 2 2 326.282 3.067 10 0 EGAELP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256939 461145733 /nfs/dbraw/zinc/14/57/33/461145733.db2.gz KNTPPDZWXZKQKI-UXHICEINSA-N 2 2 328.431 3.225 10 0 EGAELP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256939 461145742 /nfs/dbraw/zinc/14/57/42/461145742.db2.gz KNTPPDZWXZKQKI-UXHICEINSA-N 2 2 328.431 3.225 10 0 EGAELP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257237 461147569 /nfs/dbraw/zinc/14/75/69/461147569.db2.gz BNVXFSXMAJILNW-RTBURBONSA-N 2 2 348.849 3.489 10 0 EGAELP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000662257237 461147578 /nfs/dbraw/zinc/14/75/78/461147578.db2.gz BNVXFSXMAJILNW-RTBURBONSA-N 2 2 348.849 3.489 10 0 EGAELP CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326092 461192475 /nfs/dbraw/zinc/19/24/75/461192475.db2.gz NJLMYFFLEQYKHJ-HNNXBMFYSA-N 2 2 340.895 3.281 10 0 EGAELP CCOc1cccc(Cl)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326092 461192482 /nfs/dbraw/zinc/19/24/82/461192482.db2.gz NJLMYFFLEQYKHJ-HNNXBMFYSA-N 2 2 340.895 3.281 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CCO1 ZINC000662321936 461192753 /nfs/dbraw/zinc/19/27/53/461192753.db2.gz LCIXBQVVJKJSJD-MRXNPFEDSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CCO1 ZINC000662321936 461192757 /nfs/dbraw/zinc/19/27/57/461192757.db2.gz LCIXBQVVJKJSJD-MRXNPFEDSA-N 2 2 347.890 3.431 10 0 EGAELP c1[nH+]c(C2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)n2c1CCCC2 ZINC000649594671 461205644 /nfs/dbraw/zinc/20/56/44/461205644.db2.gz MDMDLWPYRHNCTG-UHFFFAOYSA-N 2 2 339.487 3.132 10 0 EGAELP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000655777402 461440134 /nfs/dbraw/zinc/44/01/34/461440134.db2.gz UJQUGWHRRIYPIM-CQSZACIVSA-N 2 2 341.846 3.204 10 0 EGAELP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000655777402 461440143 /nfs/dbraw/zinc/44/01/43/461440143.db2.gz UJQUGWHRRIYPIM-CQSZACIVSA-N 2 2 341.846 3.204 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(SC)c3)CC2)c1 ZINC000659881563 461480803 /nfs/dbraw/zinc/48/08/03/461480803.db2.gz KTEOEKFZUBOBMJ-UHFFFAOYSA-N 2 2 329.469 3.134 10 0 EGAELP COc1cncc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000631029447 461482671 /nfs/dbraw/zinc/48/26/71/461482671.db2.gz BQAGZZKMYHHBIZ-LJQANCHMSA-N 2 2 325.456 3.325 10 0 EGAELP FC(F)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000631043822 461496184 /nfs/dbraw/zinc/49/61/84/461496184.db2.gz BJZNAQGZSHOKCB-UHFFFAOYSA-N 2 2 347.409 3.141 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663344733 461574585 /nfs/dbraw/zinc/57/45/85/461574585.db2.gz VWLSTFWTCQWIHC-LBPRGKRZSA-N 2 2 333.423 3.374 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663344733 461574588 /nfs/dbraw/zinc/57/45/88/461574588.db2.gz VWLSTFWTCQWIHC-LBPRGKRZSA-N 2 2 333.423 3.374 10 0 EGAELP CCc1nocc1C[N@H+](C)[C@H]1CCC[NH+](Cc2conc2CC)CC1 ZINC000660124797 461597166 /nfs/dbraw/zinc/59/71/66/461597166.db2.gz KMPMUGLODHSJCH-KRWDZBQOSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[N@@H+](C)[C@H]1CCC[NH+](Cc2conc2CC)CC1 ZINC000660124797 461597172 /nfs/dbraw/zinc/59/71/72/461597172.db2.gz KMPMUGLODHSJCH-KRWDZBQOSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[NH+](C)[C@H]1CCC[N@H+](Cc2conc2CC)CC1 ZINC000660124797 461597181 /nfs/dbraw/zinc/59/71/81/461597181.db2.gz KMPMUGLODHSJCH-KRWDZBQOSA-N 2 2 346.475 3.274 10 0 EGAELP CCc1nocc1C[NH+](C)[C@H]1CCC[N@@H+](Cc2conc2CC)CC1 ZINC000660124797 461597187 /nfs/dbraw/zinc/59/71/87/461597187.db2.gz KMPMUGLODHSJCH-KRWDZBQOSA-N 2 2 346.475 3.274 10 0 EGAELP C[N@@H+]1CCC[C@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@@H]21 ZINC000656147365 461624464 /nfs/dbraw/zinc/62/44/64/461624464.db2.gz OEELVZBUTUIPFJ-IRXDYDNUSA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CCC[C@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@@H]21 ZINC000656147365 461624469 /nfs/dbraw/zinc/62/44/69/461624469.db2.gz OEELVZBUTUIPFJ-IRXDYDNUSA-N 2 2 343.519 3.024 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195313 461635220 /nfs/dbraw/zinc/63/52/20/461635220.db2.gz FANJGTORMWWECJ-QFBILLFUSA-N 2 2 339.483 3.256 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195313 461635228 /nfs/dbraw/zinc/63/52/28/461635228.db2.gz FANJGTORMWWECJ-QFBILLFUSA-N 2 2 339.483 3.256 10 0 EGAELP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000663467743 461657248 /nfs/dbraw/zinc/65/72/48/461657248.db2.gz HSXSMFAMQCBSMJ-KRWDZBQOSA-N 2 2 326.488 3.088 10 0 EGAELP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647498919 461738539 /nfs/dbraw/zinc/73/85/39/461738539.db2.gz UDDRUHNVTSBHCV-SMDDNHRTSA-N 2 2 327.266 3.017 10 0 EGAELP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647498919 461738544 /nfs/dbraw/zinc/73/85/44/461738544.db2.gz UDDRUHNVTSBHCV-SMDDNHRTSA-N 2 2 327.266 3.017 10 0 EGAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000653643132 461779290 /nfs/dbraw/zinc/77/92/90/461779290.db2.gz CDASMPUNVWHAOV-YLJYHZDGSA-N 2 2 342.483 3.229 10 0 EGAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000653643132 461779297 /nfs/dbraw/zinc/77/92/97/461779297.db2.gz CDASMPUNVWHAOV-YLJYHZDGSA-N 2 2 342.483 3.229 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000663843332 461833203 /nfs/dbraw/zinc/83/32/03/461833203.db2.gz WBTYSIPBIXUBOD-ZDUSSCGKSA-N 2 2 331.382 3.322 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000663843332 461833209 /nfs/dbraw/zinc/83/32/09/461833209.db2.gz WBTYSIPBIXUBOD-ZDUSSCGKSA-N 2 2 331.382 3.322 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899674 461874204 /nfs/dbraw/zinc/87/42/04/461874204.db2.gz SGGYRZOSVPEFPX-PKOBYXMFSA-N 2 2 337.467 3.242 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899674 461874214 /nfs/dbraw/zinc/87/42/14/461874214.db2.gz SGGYRZOSVPEFPX-PKOBYXMFSA-N 2 2 337.467 3.242 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899438 461875109 /nfs/dbraw/zinc/87/51/09/461875109.db2.gz KJOWWDFYNBSZDQ-RTBURBONSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899438 461875112 /nfs/dbraw/zinc/87/51/12/461875112.db2.gz KJOWWDFYNBSZDQ-RTBURBONSA-N 2 2 343.515 3.214 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648013875 461943079 /nfs/dbraw/zinc/94/30/79/461943079.db2.gz VDIARXJEEKFNBQ-YLJYHZDGSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648013875 461943084 /nfs/dbraw/zinc/94/30/84/461943084.db2.gz VDIARXJEEKFNBQ-YLJYHZDGSA-N 2 2 335.455 3.460 10 0 EGAELP OC[C@H](C1CCC1)[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000648054017 461959183 /nfs/dbraw/zinc/95/91/83/461959183.db2.gz MONPXUYLYCYLCY-HXUWFJFHSA-N 2 2 335.451 3.498 10 0 EGAELP OC[C@H](C1CCC1)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000648054017 461959189 /nfs/dbraw/zinc/95/91/89/461959189.db2.gz MONPXUYLYCYLCY-HXUWFJFHSA-N 2 2 335.451 3.498 10 0 EGAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C2 ZINC000644534182 461973681 /nfs/dbraw/zinc/97/36/81/461973681.db2.gz BWKYEGJCSXHARA-ZWKOTPCHSA-N 2 2 341.499 3.079 10 0 EGAELP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCC(C)CC1 ZINC000657309996 462034221 /nfs/dbraw/zinc/03/42/21/462034221.db2.gz VKMVHDGMXMNWQX-FQEVSTJZSA-N 2 2 341.503 3.113 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000657330076 462051032 /nfs/dbraw/zinc/05/10/32/462051032.db2.gz ZHHDSLQCUJLWMI-UHFFFAOYSA-N 2 2 339.418 3.302 10 0 EGAELP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn2c1CCC2 ZINC000657358082 462069071 /nfs/dbraw/zinc/06/90/71/462069071.db2.gz AORBMPLUYWETER-UHFFFAOYSA-N 2 2 338.499 3.495 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387073 462089956 /nfs/dbraw/zinc/08/99/56/462089956.db2.gz PNTHGBHGGLDPIT-OXQOHEQNSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657387073 462089962 /nfs/dbraw/zinc/08/99/62/462089962.db2.gz PNTHGBHGGLDPIT-OXQOHEQNSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000657395301 462094963 /nfs/dbraw/zinc/09/49/63/462094963.db2.gz UDNMZEUANASFLJ-HKUYNNGSSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657395301 462094967 /nfs/dbraw/zinc/09/49/67/462094967.db2.gz UDNMZEUANASFLJ-HKUYNNGSSA-N 2 2 347.466 3.020 10 0 EGAELP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc2c(c1)OCO2 ZINC000667484930 462105118 /nfs/dbraw/zinc/10/51/18/462105118.db2.gz AGUNFXKGMXRLFN-UHFFFAOYSA-N 2 2 336.395 3.018 10 0 EGAELP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc2c(c1)OCO2 ZINC000667484930 462105125 /nfs/dbraw/zinc/10/51/25/462105125.db2.gz AGUNFXKGMXRLFN-UHFFFAOYSA-N 2 2 336.395 3.018 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccccc2)O1 ZINC000667557094 462141445 /nfs/dbraw/zinc/14/14/45/462141445.db2.gz NAUFMSOSIFLHCK-UZLBHIALSA-N 2 2 334.423 3.229 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccccc2)O1 ZINC000667557094 462141449 /nfs/dbraw/zinc/14/14/49/462141449.db2.gz NAUFMSOSIFLHCK-UZLBHIALSA-N 2 2 334.423 3.229 10 0 EGAELP c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)n(-c2cc[nH+]cc2)n1 ZINC000667592809 462164087 /nfs/dbraw/zinc/16/40/87/462164087.db2.gz FWIYNUJYHDEYNS-GOSISDBHSA-N 2 2 348.406 3.333 10 0 EGAELP c1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)n(-c2cc[nH+]cc2)n1 ZINC000667592809 462164090 /nfs/dbraw/zinc/16/40/90/462164090.db2.gz FWIYNUJYHDEYNS-GOSISDBHSA-N 2 2 348.406 3.333 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657522898 462165015 /nfs/dbraw/zinc/16/50/15/462165015.db2.gz FRSWGEXQRBSMJS-GOSISDBHSA-N 2 2 326.488 3.452 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522898 462165022 /nfs/dbraw/zinc/16/50/22/462165022.db2.gz FRSWGEXQRBSMJS-GOSISDBHSA-N 2 2 326.488 3.452 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1OC(F)F ZINC000657522974 462165817 /nfs/dbraw/zinc/16/58/17/462165817.db2.gz GJRAHUOKAWBNSM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP COc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1OC(F)F ZINC000657522974 462165820 /nfs/dbraw/zinc/16/58/20/462165820.db2.gz GJRAHUOKAWBNSM-CYBMUJFWSA-N 2 2 328.403 3.259 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526288 462168420 /nfs/dbraw/zinc/16/84/20/462168420.db2.gz FTGZAHDSLRRHIR-MRXNPFEDSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526288 462168426 /nfs/dbraw/zinc/16/84/26/462168426.db2.gz FTGZAHDSLRRHIR-MRXNPFEDSA-N 2 2 330.451 3.282 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000667642268 462186568 /nfs/dbraw/zinc/18/65/68/462186568.db2.gz VAZAGEXFTKHVGE-OAHLLOKOSA-N 2 2 329.444 3.203 10 0 EGAELP COC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(OC)c1 ZINC000657613598 462204178 /nfs/dbraw/zinc/20/41/78/462204178.db2.gz WVXWKTXLRXRNRG-GOSISDBHSA-N 2 2 343.452 3.420 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1OC ZINC000658063617 462362859 /nfs/dbraw/zinc/36/28/59/462362859.db2.gz WDFMTCHJFBAJEV-WMLDXEAASA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1OC ZINC000658063617 462362867 /nfs/dbraw/zinc/36/28/67/462362867.db2.gz WDFMTCHJFBAJEV-WMLDXEAASA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2cnccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000665239425 462365275 /nfs/dbraw/zinc/36/52/75/462365275.db2.gz TVNWZAXGECILBU-WOJBJXKFSA-N 2 2 325.456 3.024 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000665250160 462368953 /nfs/dbraw/zinc/36/89/53/462368953.db2.gz JDTOMNKKPWZOJA-NYSBEXSLSA-N 2 2 349.478 3.368 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnc(C)s2)cc1 ZINC000665256414 462373109 /nfs/dbraw/zinc/37/31/09/462373109.db2.gz ZFHZYYHGLVRWIR-DQYPLSBCSA-N 2 2 331.485 3.256 10 0 EGAELP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000652199791 462469345 /nfs/dbraw/zinc/46/93/45/462469345.db2.gz CLUWELPMNRKULE-FOIQADDNSA-N 2 2 334.423 3.050 10 0 EGAELP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccn2)cc1 ZINC000652199791 462469351 /nfs/dbraw/zinc/46/93/51/462469351.db2.gz CLUWELPMNRKULE-FOIQADDNSA-N 2 2 334.423 3.050 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203258 462470390 /nfs/dbraw/zinc/47/03/90/462470390.db2.gz GLOXOKGRGGAHBX-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203258 462470395 /nfs/dbraw/zinc/47/03/95/462470395.db2.gz GLOXOKGRGGAHBX-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662028690 462506170 /nfs/dbraw/zinc/50/61/70/462506170.db2.gz ANWIIQBRYRWLMC-QZTJIDSGSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662028690 462506173 /nfs/dbraw/zinc/50/61/73/462506173.db2.gz ANWIIQBRYRWLMC-QZTJIDSGSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000164600510 534768038 /nfs/dbraw/zinc/76/80/38/534768038.db2.gz UKSIYZGVXDULKG-RXVVDRJESA-N 3 2 340.515 3.472 10 0 EGAELP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000164600510 534768051 /nfs/dbraw/zinc/76/80/51/534768051.db2.gz UKSIYZGVXDULKG-RXVVDRJESA-N 3 2 340.515 3.472 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154561576 534780789 /nfs/dbraw/zinc/78/07/89/534780789.db2.gz LSJQHLNJYNYSSM-INIZCTEOSA-N 2 2 329.448 3.287 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154561576 534780792 /nfs/dbraw/zinc/78/07/92/534780792.db2.gz LSJQHLNJYNYSSM-INIZCTEOSA-N 2 2 329.448 3.287 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952777 535128706 /nfs/dbraw/zinc/12/87/06/535128706.db2.gz UQTPKRYRKKEHQX-UXLLHSPISA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246952777 535128712 /nfs/dbraw/zinc/12/87/12/535128712.db2.gz UQTPKRYRKKEHQX-UXLLHSPISA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246952777 535128714 /nfs/dbraw/zinc/12/87/14/535128714.db2.gz UQTPKRYRKKEHQX-UXLLHSPISA-N 2 2 332.492 3.422 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246952777 535128716 /nfs/dbraw/zinc/12/87/16/535128716.db2.gz UQTPKRYRKKEHQX-UXLLHSPISA-N 2 2 332.492 3.422 10 0 EGAELP c1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000152543632 546871751 /nfs/dbraw/zinc/87/17/51/546871751.db2.gz DRPGGFPSRZNVEF-GOSISDBHSA-N 2 2 336.483 3.167 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223521 547117762 /nfs/dbraw/zinc/11/77/62/547117762.db2.gz GOVLISKYBSNFRA-GFCCVEGCSA-N 2 2 326.263 3.372 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223521 547117768 /nfs/dbraw/zinc/11/77/68/547117768.db2.gz GOVLISKYBSNFRA-GFCCVEGCSA-N 2 2 326.263 3.372 10 0 EGAELP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188411955 547147641 /nfs/dbraw/zinc/14/76/41/547147641.db2.gz NPEMQYPAWNRNEO-DOTOQJQBSA-N 2 2 331.435 3.374 10 0 EGAELP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188411955 547147643 /nfs/dbraw/zinc/14/76/43/547147643.db2.gz NPEMQYPAWNRNEO-DOTOQJQBSA-N 2 2 331.435 3.374 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188420099 547148401 /nfs/dbraw/zinc/14/84/01/547148401.db2.gz IVDWTYRPBYWDKQ-CYBMUJFWSA-N 2 2 325.334 3.288 10 0 EGAELP CCCC[C@@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353112149 547690953 /nfs/dbraw/zinc/69/09/53/547690953.db2.gz PPAWERZPXQRPGA-MVCQKVDPSA-N 2 2 337.552 3.266 10 0 EGAELP CCCC[C@@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353112149 547690958 /nfs/dbraw/zinc/69/09/58/547690958.db2.gz PPAWERZPXQRPGA-MVCQKVDPSA-N 2 2 337.552 3.266 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000675918365 549003949 /nfs/dbraw/zinc/00/39/49/549003949.db2.gz GZELSXLWIRNJLS-ZWKOTPCHSA-N 2 2 335.455 3.105 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675923000 549005331 /nfs/dbraw/zinc/00/53/31/549005331.db2.gz QYKJNMJLNORVRY-LJQANCHMSA-N 3 2 326.488 3.168 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675923000 549005337 /nfs/dbraw/zinc/00/53/37/549005337.db2.gz QYKJNMJLNORVRY-LJQANCHMSA-N 2 2 326.488 3.168 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000678340975 549472969 /nfs/dbraw/zinc/47/29/69/549472969.db2.gz ZCYYRIPNWBDRQX-UHFFFAOYSA-N 2 2 346.421 3.464 10 0 EGAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000678340975 549472974 /nfs/dbraw/zinc/47/29/74/549472974.db2.gz ZCYYRIPNWBDRQX-UHFFFAOYSA-N 2 2 346.421 3.464 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000680346257 549853176 /nfs/dbraw/zinc/85/31/76/549853176.db2.gz IRRYEHFVHQUNEP-DOTOQJQBSA-N 2 2 344.421 3.334 10 0 EGAELP C[C@@H](CCC(F)(F)F)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000680346257 549853178 /nfs/dbraw/zinc/85/31/78/549853178.db2.gz IRRYEHFVHQUNEP-DOTOQJQBSA-N 2 2 344.421 3.334 10 0 EGAELP Oc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000682084409 550071249 /nfs/dbraw/zinc/07/12/49/550071249.db2.gz HPCVRTPXURNOCI-UHFFFAOYSA-N 2 2 333.435 3.238 10 0 EGAELP Oc1ccc2c(c1)CC[N@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000682084409 550071250 /nfs/dbraw/zinc/07/12/50/550071250.db2.gz HPCVRTPXURNOCI-UHFFFAOYSA-N 2 2 333.435 3.238 10 0 EGAELP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000684366866 550320267 /nfs/dbraw/zinc/32/02/67/550320267.db2.gz CFXNUMWSYNGQHK-TZIWHRDSSA-N 2 2 345.531 3.054 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919773 574895823 /nfs/dbraw/zinc/89/58/23/574895823.db2.gz CRTOQRDKXZRKMN-CJNGLKHVSA-N 2 2 339.361 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000729919773 574895824 /nfs/dbraw/zinc/89/58/24/574895824.db2.gz CRTOQRDKXZRKMN-CJNGLKHVSA-N 2 2 339.361 3.272 10 0 EGAELP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000743368444 576807188 /nfs/dbraw/zinc/80/71/88/576807188.db2.gz OZEMAGMINNVZII-SJORKVTESA-N 2 2 344.846 3.105 10 0 EGAELP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000743368444 576807189 /nfs/dbraw/zinc/80/71/89/576807189.db2.gz OZEMAGMINNVZII-SJORKVTESA-N 2 2 344.846 3.105 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2Br)C1 ZINC000127163256 1293554767 /nfs/dbraw/zinc/55/47/67/1293554767.db2.gz DZKUUGUXOBUAMY-ZDUSSCGKSA-N 2 2 341.293 3.279 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2Br)C1 ZINC000127163256 1293554771 /nfs/dbraw/zinc/55/47/71/1293554771.db2.gz DZKUUGUXOBUAMY-ZDUSSCGKSA-N 2 2 341.293 3.279 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000159371818 1294234177 /nfs/dbraw/zinc/23/41/77/1294234177.db2.gz SKZYIXUKFNDPEC-UHFFFAOYSA-N 2 2 335.492 3.011 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000159371818 1294234182 /nfs/dbraw/zinc/23/41/82/1294234182.db2.gz SKZYIXUKFNDPEC-UHFFFAOYSA-N 2 2 335.492 3.011 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc12 ZINC000237186645 1296225286 /nfs/dbraw/zinc/22/52/86/1296225286.db2.gz GHMYXUGHXWJLBS-GOSISDBHSA-N 2 2 342.483 3.295 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc12 ZINC000237186645 1296225289 /nfs/dbraw/zinc/22/52/89/1296225289.db2.gz GHMYXUGHXWJLBS-GOSISDBHSA-N 2 2 342.483 3.295 10 0 EGAELP CCO[C@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)C[NH+](C)C ZINC000922756151 1322611630 /nfs/dbraw/zinc/61/16/30/1322611630.db2.gz LVFMHLQNZFZAJR-GFCCVEGCSA-N 2 2 327.881 3.006 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633419 1297534885 /nfs/dbraw/zinc/53/48/85/1297534885.db2.gz UJPHYPFJMYMGDM-WMZOPIPTSA-N 2 2 325.456 3.233 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633419 1297534892 /nfs/dbraw/zinc/53/48/92/1297534892.db2.gz UJPHYPFJMYMGDM-WMZOPIPTSA-N 2 2 325.456 3.233 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000379760288 1297541064 /nfs/dbraw/zinc/54/10/64/1297541064.db2.gz BAUYXZQKIVJEDH-FPOVZHCZSA-N 2 2 329.532 3.361 10 0 EGAELP C[C@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000386862083 1297594571 /nfs/dbraw/zinc/59/45/71/1297594571.db2.gz JQSIHJXWQAKCSU-UGKGYDQZSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000386862083 1297594580 /nfs/dbraw/zinc/59/45/80/1297594580.db2.gz JQSIHJXWQAKCSU-UGKGYDQZSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@H](NCC[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862083 1297594584 /nfs/dbraw/zinc/59/45/84/1297594584.db2.gz JQSIHJXWQAKCSU-UGKGYDQZSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862083 1297594592 /nfs/dbraw/zinc/59/45/92/1297594592.db2.gz JQSIHJXWQAKCSU-UGKGYDQZSA-N 2 2 337.511 3.371 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877167680 1299191200 /nfs/dbraw/zinc/19/12/00/1299191200.db2.gz GPMGMMMASIPHNY-NVXWUHKLSA-N 2 2 343.446 3.230 10 0 EGAELP COc1cnc(F)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000877167680 1299191206 /nfs/dbraw/zinc/19/12/06/1299191206.db2.gz GPMGMMMASIPHNY-NVXWUHKLSA-N 2 2 343.446 3.230 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396436 1299970174 /nfs/dbraw/zinc/97/01/74/1299970174.db2.gz IKNNVCWTSQFAGP-APWZRJJASA-N 2 2 341.455 3.109 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397933 1299972377 /nfs/dbraw/zinc/97/23/77/1299972377.db2.gz TWKABPBGOWBNRB-LPHOPBHVSA-N 2 2 341.455 3.251 10 0 EGAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCc1cscn1)C2 ZINC000880022843 1300870554 /nfs/dbraw/zinc/87/05/54/1300870554.db2.gz ZNPOGAUUTHSNAM-PKOBYXMFSA-N 2 2 327.497 3.140 10 0 EGAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCc1cscn1)C2 ZINC000880022843 1300870573 /nfs/dbraw/zinc/87/05/73/1300870573.db2.gz ZNPOGAUUTHSNAM-PKOBYXMFSA-N 2 2 327.497 3.140 10 0 EGAELP C[C@]12C[NH+](CCc3cscn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022843 1300870591 /nfs/dbraw/zinc/87/05/91/1300870591.db2.gz ZNPOGAUUTHSNAM-PKOBYXMFSA-N 2 2 327.497 3.140 10 0 EGAELP C[C@]12C[NH+](CCc3cscn3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022843 1300870604 /nfs/dbraw/zinc/87/06/04/1300870604.db2.gz ZNPOGAUUTHSNAM-PKOBYXMFSA-N 2 2 327.497 3.140 10 0 EGAELP c1cn2c(cccc2CNc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)[nH+]1 ZINC000883346272 1302405111 /nfs/dbraw/zinc/40/51/11/1302405111.db2.gz WEUZJASSPGBNCG-FQEVSTJZSA-N 2 2 347.466 3.231 10 0 EGAELP c1cn2c(cccc2CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)[nH+]1 ZINC000883346272 1302405115 /nfs/dbraw/zinc/40/51/15/1302405115.db2.gz WEUZJASSPGBNCG-FQEVSTJZSA-N 2 2 347.466 3.231 10 0 EGAELP COC(=O)c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)[nH]c1C(C)C ZINC000894200830 1306272925 /nfs/dbraw/zinc/27/29/25/1306272925.db2.gz XBJXIQKLZDEYQK-INIZCTEOSA-N 2 2 346.475 3.326 10 0 EGAELP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000894625456 1308986295 /nfs/dbraw/zinc/98/62/95/1308986295.db2.gz YSXNAQDCVPUTOE-UHFFFAOYSA-N 2 2 341.455 3.061 10 0 EGAELP CCOC(=O)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895110148 1309195096 /nfs/dbraw/zinc/19/50/96/1309195096.db2.gz BEXXHDAUTWMAPA-SHTZXODSSA-N 2 2 343.427 3.128 10 0 EGAELP COC(=O)c1csc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895115327 1309196707 /nfs/dbraw/zinc/19/67/07/1309196707.db2.gz OVSTVQNZHWVPPD-SHTZXODSSA-N 2 2 345.468 3.206 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671292 1309458296 /nfs/dbraw/zinc/45/82/96/1309458296.db2.gz IOHJAWOGKGQMLV-QGZVFWFLSA-N 2 2 332.488 3.161 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c[nH+]1 ZINC000897692053 1310435916 /nfs/dbraw/zinc/43/59/16/1310435916.db2.gz SMDRMVKZQTYQQC-WMZOPIPTSA-N 2 2 342.487 3.043 10 0 EGAELP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929656067 1328659182 /nfs/dbraw/zinc/65/91/82/1328659182.db2.gz CBGWCQRIOXRYLH-IBGZPJMESA-N 2 2 338.536 3.037 10 0 EGAELP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929656067 1328659189 /nfs/dbraw/zinc/65/91/89/1328659189.db2.gz CBGWCQRIOXRYLH-IBGZPJMESA-N 2 2 338.536 3.037 10 0 EGAELP CC1(C(=O)OCc2ccc(N)[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000922621088 1322572972 /nfs/dbraw/zinc/57/29/72/1322572972.db2.gz IKYLGCINQYVGCF-UHFFFAOYSA-N 2 2 339.439 3.009 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c2ccccc12 ZINC000922950739 1322657152 /nfs/dbraw/zinc/65/71/52/1322657152.db2.gz PHDPJWBNHGGZIP-SFHVURJKSA-N 2 2 340.467 3.191 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c2ccccc12 ZINC000922950739 1322657156 /nfs/dbraw/zinc/65/71/56/1322657156.db2.gz PHDPJWBNHGGZIP-SFHVURJKSA-N 2 2 340.467 3.191 10 0 EGAELP COc1cc2c(cc1OC)C1(CCC1)[N@H+](CCC[NH2+]C1CC1)CC2 ZINC000923432154 1322751277 /nfs/dbraw/zinc/75/12/77/1322751277.db2.gz JRAZREVXVQNBLR-UHFFFAOYSA-N 2 2 330.472 3.083 10 0 EGAELP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CCC[NH2+]C1CC1)CC2 ZINC000923432154 1322751280 /nfs/dbraw/zinc/75/12/80/1322751280.db2.gz JRAZREVXVQNBLR-UHFFFAOYSA-N 2 2 330.472 3.083 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924672573 1323106313 /nfs/dbraw/zinc/10/63/13/1323106313.db2.gz UELSSKCJQMRBJJ-NHCUHLMSSA-N 2 2 346.515 3.346 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924672573 1323106315 /nfs/dbraw/zinc/10/63/15/1323106315.db2.gz UELSSKCJQMRBJJ-NHCUHLMSSA-N 2 2 346.515 3.346 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924767416 1323152529 /nfs/dbraw/zinc/15/25/29/1323152529.db2.gz VQPSSOOZUSKMHB-PMACEKPBSA-N 2 2 346.490 3.480 10 0 EGAELP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924767416 1323152533 /nfs/dbraw/zinc/15/25/33/1323152533.db2.gz VQPSSOOZUSKMHB-PMACEKPBSA-N 2 2 346.490 3.480 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)n(C)n1 ZINC000924925596 1323215379 /nfs/dbraw/zinc/21/53/79/1323215379.db2.gz HZGWENDIIXYNKJ-HKUYNNGSSA-N 2 2 341.503 3.317 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924965091 1323230745 /nfs/dbraw/zinc/23/07/45/1323230745.db2.gz VTJOCOSLQYXSEM-KGLIPLIRSA-N 2 2 348.491 3.446 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925002714 1323242595 /nfs/dbraw/zinc/24/25/95/1323242595.db2.gz SVTSOFZJCAJGDS-FXAWDEMLSA-N 2 2 345.531 3.272 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1-c1ccncc1 ZINC000925443175 1325151611 /nfs/dbraw/zinc/15/16/11/1325151611.db2.gz NGVWSADALCSQKR-AEFFLSMTSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1-c1ccncc1 ZINC000925443175 1325151616 /nfs/dbraw/zinc/15/16/16/1325151616.db2.gz NGVWSADALCSQKR-AEFFLSMTSA-N 2 2 342.512 3.354 10 0 EGAELP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925533269 1325194898 /nfs/dbraw/zinc/19/48/98/1325194898.db2.gz KVVCEEJBCHTICB-OAHLLOKOSA-N 2 2 328.378 3.140 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1sccc1Br ZINC000925782902 1325300532 /nfs/dbraw/zinc/30/05/32/1325300532.db2.gz MWNFXQARQQBARO-DTWKUNHWSA-N 2 2 339.249 3.406 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000925792872 1325304252 /nfs/dbraw/zinc/30/42/52/1325304252.db2.gz BLZHPUVRPINSGB-UKRRQHHQSA-N 2 2 338.492 3.357 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905229 1325352926 /nfs/dbraw/zinc/35/29/26/1325352926.db2.gz DYRZTFHHROOUHE-OALUTQOASA-N 2 2 346.519 3.085 10 0 EGAELP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926329934 1325517821 /nfs/dbraw/zinc/51/78/21/1325517821.db2.gz IFUOAKXKZUFYGF-HGWMRPEMSA-N 2 2 334.426 3.052 10 0 EGAELP COC(C)(C)[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957036 1327795419 /nfs/dbraw/zinc/79/54/19/1327795419.db2.gz FSCFRRUDYNFURT-KRWDZBQOSA-N 2 2 334.504 3.071 10 0 EGAELP COC(C)(C)[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957036 1327795425 /nfs/dbraw/zinc/79/54/25/1327795425.db2.gz FSCFRRUDYNFURT-KRWDZBQOSA-N 2 2 334.504 3.071 10 0 EGAELP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926960327 1327797470 /nfs/dbraw/zinc/79/74/70/1327797470.db2.gz FIYMOYUYKHZMLD-BBRMVZONSA-N 2 2 340.393 3.406 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)C[NH+](C)C ZINC000926961642 1327799213 /nfs/dbraw/zinc/79/92/13/1327799213.db2.gz JTYDIMRDRXYRSX-OCCSQVGLSA-N 2 2 327.538 3.366 10 0 EGAELP Cc1c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccnc1F ZINC000862235358 1329469257 /nfs/dbraw/zinc/46/92/57/1329469257.db2.gz GRNCVSWZOZNWPI-UHFFFAOYSA-N 2 2 342.462 3.063 10 0 EGAELP Cc1c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccnc1F ZINC000862235358 1329469259 /nfs/dbraw/zinc/46/92/59/1329469259.db2.gz GRNCVSWZOZNWPI-UHFFFAOYSA-N 2 2 342.462 3.063 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702897 1330142375 /nfs/dbraw/zinc/14/23/75/1330142375.db2.gz DMNZDWWNMUPUTK-KUHUBIRLSA-N 2 2 349.544 3.432 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702897 1330142377 /nfs/dbraw/zinc/14/23/77/1330142377.db2.gz DMNZDWWNMUPUTK-KUHUBIRLSA-N 2 2 349.544 3.432 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ncccc2Br)C1 ZINC000866708226 1330143456 /nfs/dbraw/zinc/14/34/56/1330143456.db2.gz LVZTYBPIVLEWME-HNNXBMFYSA-N 2 2 326.282 3.041 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ncccc2Br)C1 ZINC000866708226 1330143459 /nfs/dbraw/zinc/14/34/59/1330143459.db2.gz LVZTYBPIVLEWME-HNNXBMFYSA-N 2 2 326.282 3.041 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708231 1330143659 /nfs/dbraw/zinc/14/36/59/1330143659.db2.gz YNGWWLGXJBCSBP-DNVCBOLYSA-N 2 2 327.476 3.025 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708231 1330143660 /nfs/dbraw/zinc/14/36/60/1330143660.db2.gz YNGWWLGXJBCSBP-DNVCBOLYSA-N 2 2 327.476 3.025 10 0 EGAELP CC(C)CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001324482634 1387641014 /nfs/dbraw/zinc/64/10/14/1387641014.db2.gz LQTBCMLNSSQCPX-KRWDZBQOSA-N 2 2 342.487 3.259 10 0 EGAELP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197265354 1368775376 /nfs/dbraw/zinc/77/53/76/1368775376.db2.gz QPIKFSQHPAEYRJ-WOJBJXKFSA-N 2 2 339.414 3.395 10 0 EGAELP c1sc(-c2ccccn2)nc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001200902509 1369446778 /nfs/dbraw/zinc/44/67/78/1369446778.db2.gz SYORMEXGVIZQHD-UHFFFAOYSA-N 2 2 325.441 3.192 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1C/C=C/Cl)c1cccc2[nH+]ccn21 ZINC001267170753 1377421811 /nfs/dbraw/zinc/42/18/11/1377421811.db2.gz STSXXWCHMQCEJD-ULYATVDSSA-N 2 2 346.862 3.061 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl)c1cccc2[nH+]ccn21 ZINC001267170753 1377421816 /nfs/dbraw/zinc/42/18/16/1377421816.db2.gz STSXXWCHMQCEJD-ULYATVDSSA-N 2 2 346.862 3.061 10 0 EGAELP CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331927 1377550410 /nfs/dbraw/zinc/55/04/10/1377550410.db2.gz PKVODUNPKLCCKM-OALUTQOASA-N 2 2 346.519 3.193 10 0 EGAELP CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001269331927 1377550413 /nfs/dbraw/zinc/55/04/13/1377550413.db2.gz PKVODUNPKLCCKM-OALUTQOASA-N 2 2 346.519 3.193 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284196670 1379589485 /nfs/dbraw/zinc/58/94/85/1379589485.db2.gz NCJGIYJJYFHUFZ-SJORKVTESA-N 2 2 342.487 3.403 10 0 EGAELP CC(C)c1[nH]cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001157120034 1380780912 /nfs/dbraw/zinc/78/09/12/1380780912.db2.gz SFYLIZVNAXOQBS-UHFFFAOYSA-N 2 2 326.444 3.059 10 0 EGAELP CC(C)c1[nH]c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001157120034 1380780915 /nfs/dbraw/zinc/78/09/15/1380780915.db2.gz SFYLIZVNAXOQBS-UHFFFAOYSA-N 2 2 326.444 3.059 10 0 EGAELP C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001328414488 1388740948 /nfs/dbraw/zinc/74/09/48/1388740948.db2.gz PTSKHTOCZONFMM-LSDHHAIUSA-N 2 2 348.878 3.172 10 0 EGAELP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328588441 1388783924 /nfs/dbraw/zinc/78/39/24/1388783924.db2.gz VSSTZHRBPSJGIP-GOSISDBHSA-N 2 2 348.535 3.441 10 0 EGAELP CC[N@@H+](CCC(C)C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328588441 1388783927 /nfs/dbraw/zinc/78/39/27/1388783927.db2.gz VSSTZHRBPSJGIP-GOSISDBHSA-N 2 2 348.535 3.441 10 0 EGAELP FC(F)(F)c1c[nH+]ccc1NCCn1c[nH+]cc1-c1ccccc1 ZINC001163830778 1383126937 /nfs/dbraw/zinc/12/69/37/1383126937.db2.gz AWOAIEFERCHWIT-UHFFFAOYSA-N 2 2 332.329 3.498 10 0 EGAELP Cc1[nH]c([C@@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)[nH+]c1C ZINC001303608329 1383808666 /nfs/dbraw/zinc/80/86/66/1383808666.db2.gz HCKBPJBLNLPMOK-KRWDZBQOSA-N 2 2 326.444 3.065 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001316684495 1384524371 /nfs/dbraw/zinc/52/43/71/1384524371.db2.gz XWKOHLMFLNEZCM-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CC2CCC2)C1 ZINC001316809586 1384604564 /nfs/dbraw/zinc/60/45/64/1384604564.db2.gz DBEYJONUOUAIOI-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CC2CCC2)C1 ZINC001316809586 1384604567 /nfs/dbraw/zinc/60/45/67/1384604567.db2.gz DBEYJONUOUAIOI-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001316879715 1384665201 /nfs/dbraw/zinc/66/52/01/1384665201.db2.gz YGENZHGFAWQNFR-WMZOPIPTSA-N 2 2 342.487 3.416 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc3ccsc3)ccn12 ZINC001329030401 1388937851 /nfs/dbraw/zinc/93/78/51/1388937851.db2.gz ALKXGDBUVIOHMA-KGLIPLIRSA-N 2 2 342.468 3.001 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208403 1384984001 /nfs/dbraw/zinc/98/40/01/1384984001.db2.gz JFRTYCAAGCAPRF-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208403 1384984006 /nfs/dbraw/zinc/98/40/06/1384984006.db2.gz JFRTYCAAGCAPRF-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208408 1384984186 /nfs/dbraw/zinc/98/41/86/1384984186.db2.gz JFRTYCAAGCAPRF-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317208408 1384984189 /nfs/dbraw/zinc/98/41/89/1384984189.db2.gz JFRTYCAAGCAPRF-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001317397754 1385114142 /nfs/dbraw/zinc/11/41/42/1385114142.db2.gz XVVIPQOJBQPGIW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCC1CCCCCC1 ZINC001317397754 1385114144 /nfs/dbraw/zinc/11/41/44/1385114144.db2.gz XVVIPQOJBQPGIW-CGTJXYLNSA-N 2 2 346.519 3.358 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001317402544 1385117000 /nfs/dbraw/zinc/11/70/00/1385117000.db2.gz YWMFWZCGDSHHJH-ZDUSSCGKSA-N 2 2 331.485 3.367 10 0 EGAELP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842640 1385529213 /nfs/dbraw/zinc/52/92/13/1385529213.db2.gz WOEJHYKPFITDKH-SFHVURJKSA-N 2 2 348.535 3.287 10 0 EGAELP CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842640 1385529217 /nfs/dbraw/zinc/52/92/17/1385529217.db2.gz WOEJHYKPFITDKH-SFHVURJKSA-N 2 2 348.535 3.287 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317853894 1385537222 /nfs/dbraw/zinc/53/72/22/1385537222.db2.gz NINWUDUTXLHPIX-IAGOWNOFSA-N 2 2 334.508 3.051 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317853894 1385537226 /nfs/dbraw/zinc/53/72/26/1385537226.db2.gz NINWUDUTXLHPIX-IAGOWNOFSA-N 2 2 334.508 3.051 10 0 EGAELP CC(C)(C)CCC[NH2+]CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001318904155 1385876236 /nfs/dbraw/zinc/87/62/36/1385876236.db2.gz DDYXVYGGAHKOHB-UHFFFAOYSA-N 2 2 348.535 3.318 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1)n1cc[nH+]c1 ZINC001319377724 1386091097 /nfs/dbraw/zinc/09/10/97/1386091097.db2.gz QHOVSJNUWQPKCV-INIZCTEOSA-N 2 2 334.508 3.289 10 0 EGAELP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319460864 1386131345 /nfs/dbraw/zinc/13/13/45/1386131345.db2.gz QYLPQKVBLRPCMI-LFAOLKIESA-N 2 2 328.460 3.049 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001319790778 1386298042 /nfs/dbraw/zinc/29/80/42/1386298042.db2.gz LXLXJIHKXRVLEE-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP C[C@](C[NH2+]CCC1CCCCCC1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001698650644 1406300703 /nfs/dbraw/zinc/30/07/03/1406300703.db2.gz DXXNVNISZGLWFH-HXUWFJFHSA-N 2 2 346.519 3.187 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320115588 1386522968 /nfs/dbraw/zinc/52/29/68/1386522968.db2.gz PUDKXGMGHULBFL-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320115588 1386522971 /nfs/dbraw/zinc/52/29/71/1386522971.db2.gz PUDKXGMGHULBFL-OALUTQOASA-N 2 2 346.519 3.166 10 0 EGAELP CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001181054882 1386925720 /nfs/dbraw/zinc/92/57/20/1386925720.db2.gz XCDRXRYBDOAQSK-KURKYZTESA-N 2 2 340.471 3.103 10 0 EGAELP CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001181054882 1386925724 /nfs/dbraw/zinc/92/57/24/1386925724.db2.gz XCDRXRYBDOAQSK-KURKYZTESA-N 2 2 340.471 3.103 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001322371529 1387173596 /nfs/dbraw/zinc/17/35/96/1387173596.db2.gz PMHQJAIQXUFMEM-FUHWJXTLSA-N 2 2 348.535 3.054 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1Cl ZINC001322805306 1387240265 /nfs/dbraw/zinc/24/02/65/1387240265.db2.gz FTRIEUQAOQPVEL-CYBMUJFWSA-N 2 2 348.878 3.113 10 0 EGAELP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875668 1389241695 /nfs/dbraw/zinc/24/16/95/1389241695.db2.gz KVVZKPXPROHVKQ-KQQSKNTNSA-N 2 2 348.878 3.273 10 0 EGAELP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001698723743 1406371467 /nfs/dbraw/zinc/37/14/67/1406371467.db2.gz ZNUCLMNFQFBDBX-QZTJIDSGSA-N 2 2 346.519 3.168 10 0 EGAELP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001698723743 1406371471 /nfs/dbraw/zinc/37/14/71/1406371471.db2.gz ZNUCLMNFQFBDBX-QZTJIDSGSA-N 2 2 346.519 3.168 10 0 EGAELP COc1cc(C)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1OC ZINC001332690661 1390153671 /nfs/dbraw/zinc/15/36/71/1390153671.db2.gz DNGHLKXBBONZSG-SFHVURJKSA-N 2 2 332.488 3.463 10 0 EGAELP COc1cc(C)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1OC ZINC001332690661 1390153674 /nfs/dbraw/zinc/15/36/74/1390153674.db2.gz DNGHLKXBBONZSG-SFHVURJKSA-N 2 2 332.488 3.463 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001332732974 1390173132 /nfs/dbraw/zinc/17/31/32/1390173132.db2.gz WMDKROBSFTWOIE-OAHLLOKOSA-N 2 2 346.450 3.021 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001332732974 1390173137 /nfs/dbraw/zinc/17/31/37/1390173137.db2.gz WMDKROBSFTWOIE-OAHLLOKOSA-N 2 2 346.450 3.021 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001334209117 1390499332 /nfs/dbraw/zinc/49/93/32/1390499332.db2.gz XHXZPOKQKHIABA-GOEBONIOSA-N 2 2 344.377 3.343 10 0 EGAELP COCCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001698800329 1406474077 /nfs/dbraw/zinc/47/40/77/1406474077.db2.gz UORZNVVHXIVKDZ-UHFFFAOYSA-N 2 2 347.503 3.066 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479457633 1392247829 /nfs/dbraw/zinc/24/78/29/1392247829.db2.gz MANFQJFRASFAFV-OTWHNJEPSA-N 2 2 346.519 3.311 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001479527261 1392270210 /nfs/dbraw/zinc/27/02/10/1392270210.db2.gz IDGGCPPURGNMGQ-HNAYVOBHSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479959969 1392495447 /nfs/dbraw/zinc/49/54/47/1392495447.db2.gz UFABXFZUTITACK-SFHVURJKSA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479959969 1392495450 /nfs/dbraw/zinc/49/54/50/1392495450.db2.gz UFABXFZUTITACK-SFHVURJKSA-N 2 2 340.471 3.113 10 0 EGAELP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001479982382 1392515700 /nfs/dbraw/zinc/51/57/00/1392515700.db2.gz IJGRXEKHSQDJNE-QZTJIDSGSA-N 2 2 346.519 3.241 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001479996313 1392528274 /nfs/dbraw/zinc/52/82/74/1392528274.db2.gz CXVAZMLVHBTNJU-KRWDZBQOSA-N 2 2 348.535 3.102 10 0 EGAELP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001480099760 1392584572 /nfs/dbraw/zinc/58/45/72/1392584572.db2.gz JVUURTSZFSVLBV-OLMNPRSZSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001480099760 1392584575 /nfs/dbraw/zinc/58/45/75/1392584575.db2.gz JVUURTSZFSVLBV-OLMNPRSZSA-N 2 2 349.906 3.028 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001480486760 1392767389 /nfs/dbraw/zinc/76/73/89/1392767389.db2.gz OXABROIHFOQGNC-SLTAFYQDSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001480601503 1392815210 /nfs/dbraw/zinc/81/52/10/1392815210.db2.gz DIMJPRTWNCLGDO-ROUUACIJSA-N 2 2 342.487 3.136 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480654658 1392838609 /nfs/dbraw/zinc/83/86/09/1392838609.db2.gz XBDOSCNWTFJGNS-AWEZNQCLSA-N 2 2 328.460 3.051 10 0 EGAELP CN(CC[NH2+]CCCC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001481263059 1393154991 /nfs/dbraw/zinc/15/49/91/1393154991.db2.gz UCYBCVWPRIVBDI-UHFFFAOYSA-N 2 2 342.487 3.360 10 0 EGAELP CCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001490616443 1394284251 /nfs/dbraw/zinc/28/42/51/1394284251.db2.gz GSHGGAZBCLURBZ-UHFFFAOYSA-N 2 2 348.535 3.482 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001490616443 1394284258 /nfs/dbraw/zinc/28/42/58/1394284258.db2.gz GSHGGAZBCLURBZ-UHFFFAOYSA-N 2 2 348.535 3.482 10 0 EGAELP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001490774099 1394336120 /nfs/dbraw/zinc/33/61/20/1394336120.db2.gz FUIRQWFKLBHBEQ-ZWKOTPCHSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001490774099 1394336129 /nfs/dbraw/zinc/33/61/29/1394336129.db2.gz FUIRQWFKLBHBEQ-ZWKOTPCHSA-N 2 2 334.508 3.195 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491029612 1394400899 /nfs/dbraw/zinc/40/08/99/1394400899.db2.gz GDLCXEDJVRTTDQ-BMFZPTHFSA-N 2 2 328.460 3.096 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745880 1394490929 /nfs/dbraw/zinc/49/09/29/1394490929.db2.gz VOEIMXLQBRPTFA-PKOBYXMFSA-N 2 2 344.503 3.257 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001481745880 1394490931 /nfs/dbraw/zinc/49/09/31/1394490931.db2.gz VOEIMXLQBRPTFA-PKOBYXMFSA-N 2 2 344.503 3.257 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001482018362 1394675358 /nfs/dbraw/zinc/67/53/58/1394675358.db2.gz OSZVVAZLJZRBEC-GUDVDZBRSA-N 2 2 346.519 3.287 10 0 EGAELP C[C@H](CC(=O)NCC1([NH2+]Cc2ccsc2)CCCC1)n1cc[nH+]c1 ZINC001482231808 1394825930 /nfs/dbraw/zinc/82/59/30/1394825930.db2.gz YBLKWAXEWZDYHP-OAHLLOKOSA-N 2 2 346.500 3.115 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001482423719 1394985410 /nfs/dbraw/zinc/98/54/10/1394985410.db2.gz MFASZJYJJFXWMR-SJLPKXTDSA-N 2 2 347.503 3.040 10 0 EGAELP CC(C)c1ccc(C[NH+]2CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001483888545 1395129477 /nfs/dbraw/zinc/12/94/77/1395129477.db2.gz BSYXSBQXFBSUOA-FQEVSTJZSA-N 2 2 345.531 3.039 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001484717684 1395479945 /nfs/dbraw/zinc/47/99/45/1395479945.db2.gz DVBDCUJVNDAYMT-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001484717684 1395479948 /nfs/dbraw/zinc/47/99/48/1395479948.db2.gz DVBDCUJVNDAYMT-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1Cl ZINC001492090304 1396303561 /nfs/dbraw/zinc/30/35/61/1396303561.db2.gz RENBJLVTHMTLFC-HUUCEWRRSA-N 2 2 348.878 3.172 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001492888422 1396328263 /nfs/dbraw/zinc/32/82/63/1396328263.db2.gz CWRXTTUPPIBIIL-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001492888422 1396328264 /nfs/dbraw/zinc/32/82/64/1396328264.db2.gz CWRXTTUPPIBIIL-GOSISDBHSA-N 2 2 342.487 3.089 10 0 EGAELP CCCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001493962781 1396346165 /nfs/dbraw/zinc/34/61/65/1396346165.db2.gz CMLNFSOFKGHRSQ-QGZVFWFLSA-N 2 2 348.535 3.102 10 0 EGAELP CCCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001493962781 1396346167 /nfs/dbraw/zinc/34/61/67/1396346167.db2.gz CMLNFSOFKGHRSQ-QGZVFWFLSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001689059023 1396860677 /nfs/dbraw/zinc/86/06/77/1396860677.db2.gz RWTUGQRTUMENGJ-RBUKOAKNSA-N 2 2 346.519 3.236 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)c(C)[nH+]1 ZINC001689264734 1396996602 /nfs/dbraw/zinc/99/66/02/1396996602.db2.gz GEADYMFLPYCNDI-QGZVFWFLSA-N 2 2 335.467 3.341 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690041192 1404276434 /nfs/dbraw/zinc/27/64/34/1404276434.db2.gz GEGZQAZMFTZDMP-JTHGQSKGSA-N 2 2 346.519 3.254 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690041192 1404276436 /nfs/dbraw/zinc/27/64/36/1404276436.db2.gz GEGZQAZMFTZDMP-JTHGQSKGSA-N 2 2 346.519 3.254 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001690122706 1404316508 /nfs/dbraw/zinc/31/65/08/1404316508.db2.gz ACNPGXFKZRHYAE-NUJGCVRESA-N 2 2 344.503 3.064 10 0 EGAELP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001690122706 1404316510 /nfs/dbraw/zinc/31/65/10/1404316510.db2.gz ACNPGXFKZRHYAE-NUJGCVRESA-N 2 2 344.503 3.064 10 0 EGAELP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001690130935 1404325013 /nfs/dbraw/zinc/32/50/13/1404325013.db2.gz KZYQBNBJDQUCDN-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690191127 1404394372 /nfs/dbraw/zinc/39/43/72/1404394372.db2.gz MRGXFUWWLYEUMA-GOSISDBHSA-N 2 2 348.535 3.287 10 0 EGAELP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690191127 1404394375 /nfs/dbraw/zinc/39/43/75/1404394375.db2.gz MRGXFUWWLYEUMA-GOSISDBHSA-N 2 2 348.535 3.287 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690211692 1404419566 /nfs/dbraw/zinc/41/95/66/1404419566.db2.gz KHMRPVCQCLUFPJ-ZSYWTGECSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690211692 1404419571 /nfs/dbraw/zinc/41/95/71/1404419571.db2.gz KHMRPVCQCLUFPJ-ZSYWTGECSA-N 2 2 346.519 3.192 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390538 1404529043 /nfs/dbraw/zinc/52/90/43/1404529043.db2.gz QZEWQGQZIMYGLV-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001690390538 1404529046 /nfs/dbraw/zinc/52/90/46/1404529046.db2.gz QZEWQGQZIMYGLV-IRXDYDNUSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1cc(C)c(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001690474763 1404597593 /nfs/dbraw/zinc/59/75/93/1404597593.db2.gz ROBPVGDIEWWGPZ-PBHICJAKSA-N 2 2 335.467 3.339 10 0 EGAELP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001690588997 1404642017 /nfs/dbraw/zinc/64/20/17/1404642017.db2.gz JPYQBIRZEOCGKB-IEBWSBKVSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001690866809 1404785027 /nfs/dbraw/zinc/78/50/27/1404785027.db2.gz BECAHRWXVJBGHF-ZIAGYGMSSA-N 2 2 348.516 3.197 10 0 EGAELP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691104968 1405043785 /nfs/dbraw/zinc/04/37/85/1405043785.db2.gz MNLNAPYJVSVFSN-IYBDPMFKSA-N 2 2 328.460 3.013 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)n1cc[nH+]c1 ZINC001691150484 1405083853 /nfs/dbraw/zinc/08/38/53/1405083853.db2.gz OBWHAMGLQFIGBO-CPLYBDICSA-N 2 2 346.519 3.001 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001691253944 1405182149 /nfs/dbraw/zinc/18/21/49/1405182149.db2.gz WEEKHSUPENXJNZ-YTQUADARSA-N 2 2 344.503 3.209 10 0 EGAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691728951 1405452468 /nfs/dbraw/zinc/45/24/68/1405452468.db2.gz UYTKBDPGFSNVMW-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691811711 1405525018 /nfs/dbraw/zinc/52/50/18/1405525018.db2.gz CWMLOTLYZQNMPC-QAPCUYQASA-N 2 2 342.487 3.273 10 0 EGAELP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968490 1405683832 /nfs/dbraw/zinc/68/38/32/1405683832.db2.gz JNACGIJSVNTTGI-GJZGRUSLSA-N 2 2 328.460 3.003 10 0 EGAELP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691968490 1405683834 /nfs/dbraw/zinc/68/38/34/1405683834.db2.gz JNACGIJSVNTTGI-GJZGRUSLSA-N 2 2 328.460 3.003 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698588922 1406209619 /nfs/dbraw/zinc/20/96/19/1406209619.db2.gz WUNGJMUKGLLDPZ-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698588922 1406209621 /nfs/dbraw/zinc/20/96/21/1406209621.db2.gz WUNGJMUKGLLDPZ-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698588922 1406209626 /nfs/dbraw/zinc/20/96/26/1406209626.db2.gz WUNGJMUKGLLDPZ-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698588922 1406209629 /nfs/dbraw/zinc/20/96/29/1406209629.db2.gz WUNGJMUKGLLDPZ-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001732128519 1428376236 /nfs/dbraw/zinc/37/62/36/1428376236.db2.gz HNDKXQYETNUDDW-SFHVURJKSA-N 2 2 348.535 3.345 10 0 EGAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001732259560 1428499997 /nfs/dbraw/zinc/49/99/97/1428499997.db2.gz UCVIIFNWZQEGGG-XLIONFOSSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001732282866 1428513483 /nfs/dbraw/zinc/51/34/83/1428513483.db2.gz BUNVHJKNNMXGMU-WMZOPIPTSA-N 2 2 348.535 3.161 10 0 EGAELP O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)c1cccc2[nH+]ccn21 ZINC001732308031 1428522660 /nfs/dbraw/zinc/52/26/60/1428522660.db2.gz GXKINHJOIMVNJC-WKILWMFISA-N 2 2 346.450 3.105 10 0 EGAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001732392562 1428561349 /nfs/dbraw/zinc/56/13/49/1428561349.db2.gz WTMIKRGVCCWACW-GOSISDBHSA-N 2 2 346.519 3.455 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001732532506 1428653341 /nfs/dbraw/zinc/65/33/41/1428653341.db2.gz PRAMBYNGBSSVMM-DLBZAZTESA-N 2 2 348.535 3.006 10 0 EGAELP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699206383 1412573621 /nfs/dbraw/zinc/57/36/21/1412573621.db2.gz FECSFJBMBLVVFK-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001699679636 1413074431 /nfs/dbraw/zinc/07/44/31/1413074431.db2.gz FVPMIIKHTQIHFP-XMAVSDRGSA-N 2 2 344.503 3.119 10 0 EGAELP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001699681361 1413075643 /nfs/dbraw/zinc/07/56/43/1413075643.db2.gz ZFXKLVQWHQAWOB-YQQQUEKLSA-N 2 2 344.503 3.131 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001699741042 1413152093 /nfs/dbraw/zinc/15/20/93/1413152093.db2.gz YAUNRMVDLCKITF-SJORKVTESA-N 2 2 348.535 3.148 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001699741041 1413152150 /nfs/dbraw/zinc/15/21/50/1413152150.db2.gz YAUNRMVDLCKITF-IRXDYDNUSA-N 2 2 348.535 3.148 10 0 EGAELP CCCC[NH+]1CCC(C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001699770860 1413177098 /nfs/dbraw/zinc/17/70/98/1413177098.db2.gz NMLCUVRVECVKKO-QGZVFWFLSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700101702 1413519802 /nfs/dbraw/zinc/51/98/02/1413519802.db2.gz OQSGDMLTPRHXCR-BRSBDYLESA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001700101702 1413519803 /nfs/dbraw/zinc/51/98/03/1413519803.db2.gz OQSGDMLTPRHXCR-BRSBDYLESA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1)n1cc[nH+]c1 ZINC001700139475 1413559267 /nfs/dbraw/zinc/55/92/67/1413559267.db2.gz JQBQCTVPHYXVMF-QGZVFWFLSA-N 2 2 344.503 3.353 10 0 EGAELP CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001700219575 1413664640 /nfs/dbraw/zinc/66/46/40/1413664640.db2.gz ONARNUPJAIBFBC-HNNXBMFYSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001700260264 1413708297 /nfs/dbraw/zinc/70/82/97/1413708297.db2.gz AFFLFIAAIUYCCZ-LIRRHRJNSA-N 2 2 340.471 3.193 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001700286430 1413733760 /nfs/dbraw/zinc/73/37/60/1413733760.db2.gz SKHNLAOFIDVLOK-UHFFFAOYSA-N 2 2 344.503 3.122 10 0 EGAELP CCCC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001732564770 1428756722 /nfs/dbraw/zinc/75/67/22/1428756722.db2.gz JMKUDZDDDJZHAA-GOSISDBHSA-N 2 2 328.460 3.016 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC1CCC(C)CC1 ZINC001700466409 1414074237 /nfs/dbraw/zinc/07/42/37/1414074237.db2.gz KVVSWIPWFUSZLS-CGZBRXJRSA-N 2 2 342.487 3.211 10 0 EGAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC1CCC(C)CC1 ZINC001700466409 1414074242 /nfs/dbraw/zinc/07/42/42/1414074242.db2.gz KVVSWIPWFUSZLS-CGZBRXJRSA-N 2 2 342.487 3.211 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700900764 1414556575 /nfs/dbraw/zinc/55/65/75/1414556575.db2.gz ZZHGHMVUOJWYOD-ZBFHGGJFSA-N 2 2 328.460 3.097 10 0 EGAELP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001701060294 1414716781 /nfs/dbraw/zinc/71/67/81/1414716781.db2.gz QEQWYGLOXKGONI-KRWDZBQOSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)CCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001701060294 1414716784 /nfs/dbraw/zinc/71/67/84/1414716784.db2.gz QEQWYGLOXKGONI-KRWDZBQOSA-N 2 2 332.492 3.019 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)C)C2)c[nH+]1 ZINC001707106809 1417203453 /nfs/dbraw/zinc/20/34/53/1417203453.db2.gz JUVJIQAVSZGYDJ-ZWKOTPCHSA-N 2 2 348.535 3.237 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001707247839 1417264888 /nfs/dbraw/zinc/26/48/88/1417264888.db2.gz BKCLWEPVIJKGOM-WBVHZDCISA-N 2 2 328.460 3.026 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001707247839 1417264891 /nfs/dbraw/zinc/26/48/91/1417264891.db2.gz BKCLWEPVIJKGOM-WBVHZDCISA-N 2 2 328.460 3.026 10 0 EGAELP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042402 1429171959 /nfs/dbraw/zinc/17/19/59/1429171959.db2.gz IRYPLURVPMODJF-CRAIPNDOSA-N 2 2 348.450 3.072 10 0 EGAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733042402 1429171962 /nfs/dbraw/zinc/17/19/62/1429171962.db2.gz IRYPLURVPMODJF-CRAIPNDOSA-N 2 2 348.450 3.072 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001707281729 1417292810 /nfs/dbraw/zinc/29/28/10/1417292810.db2.gz QNWPETXMIJADKV-DLBZAZTESA-N 2 2 348.535 3.006 10 0 EGAELP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001707281729 1417292811 /nfs/dbraw/zinc/29/28/11/1417292811.db2.gz QNWPETXMIJADKV-DLBZAZTESA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707282839 1417293928 /nfs/dbraw/zinc/29/39/28/1417293928.db2.gz XZLIWSXNJAALHK-KRWDZBQOSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707282839 1417293929 /nfs/dbraw/zinc/29/39/29/1417293929.db2.gz XZLIWSXNJAALHK-KRWDZBQOSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001707435281 1417339264 /nfs/dbraw/zinc/33/92/64/1417339264.db2.gz FSIWHSQIFAYKGZ-ROUUACIJSA-N 2 2 348.535 3.148 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001712974851 1417528397 /nfs/dbraw/zinc/52/83/97/1417528397.db2.gz IVFYIZVFQAKUNU-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001712974851 1417528401 /nfs/dbraw/zinc/52/84/01/1417528401.db2.gz IVFYIZVFQAKUNU-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP CCCCCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001713057262 1417611614 /nfs/dbraw/zinc/61/16/14/1417611614.db2.gz HRYCNESDHHIJKE-UHFFFAOYSA-N 2 2 334.508 3.190 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001713678123 1418429740 /nfs/dbraw/zinc/42/97/40/1418429740.db2.gz VYDCJUZQZBHSRN-WMZOPIPTSA-N 2 2 334.508 3.095 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC(C[N@H+](C)CC(C)C)CC1)n1cc[nH+]c1 ZINC001713764950 1418577367 /nfs/dbraw/zinc/57/73/67/1418577367.db2.gz WJBMNONJDPDSFH-LJQANCHMSA-N 2 2 348.535 3.297 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1)n1cc[nH+]c1 ZINC001713764950 1418577368 /nfs/dbraw/zinc/57/73/68/1418577368.db2.gz WJBMNONJDPDSFH-LJQANCHMSA-N 2 2 348.535 3.297 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001344 1418781055 /nfs/dbraw/zinc/78/10/55/1418781055.db2.gz VHUPGORVJWZJJA-XFHJGTJQSA-N 2 2 340.471 3.145 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714001344 1418781056 /nfs/dbraw/zinc/78/10/56/1418781056.db2.gz VHUPGORVJWZJJA-XFHJGTJQSA-N 2 2 340.471 3.145 10 0 EGAELP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001714188908 1418995599 /nfs/dbraw/zinc/99/55/99/1418995599.db2.gz YTYBGNHVROYSCO-PXNSSMCTSA-N 2 2 346.519 3.118 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001714245947 1419032840 /nfs/dbraw/zinc/03/28/40/1419032840.db2.gz UZINEXVTFBXUNC-MJGOQNOKSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001714256761 1419040847 /nfs/dbraw/zinc/04/08/47/1419040847.db2.gz RMTLVAQPEKLJPV-ZFWWWQNUSA-N 2 2 339.430 3.150 10 0 EGAELP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H]1CCCCO1 ZINC001714589278 1419335426 /nfs/dbraw/zinc/33/54/26/1419335426.db2.gz PPJSVRFZONOHEA-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H]1CCCCO1 ZINC001714589278 1419335429 /nfs/dbraw/zinc/33/54/29/1419335429.db2.gz PPJSVRFZONOHEA-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CCCF)c2ccccc2)c(C)[nH+]1 ZINC001714838572 1419551366 /nfs/dbraw/zinc/55/13/66/1419551366.db2.gz OXHAXSADRHKADF-GOSISDBHSA-N 2 2 343.446 3.427 10 0 EGAELP CC[C@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714919492 1419671097 /nfs/dbraw/zinc/67/10/97/1419671097.db2.gz ZGKWBTUHBLQUBQ-GJZGRUSLSA-N 2 2 334.439 3.045 10 0 EGAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCCC1 ZINC001715073100 1419807956 /nfs/dbraw/zinc/80/79/56/1419807956.db2.gz ZXVISKGWQAHSRB-KRWDZBQOSA-N 2 2 342.487 3.403 10 0 EGAELP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001715218568 1419952044 /nfs/dbraw/zinc/95/20/44/1419952044.db2.gz XHQOOQNKHMYPSE-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001715218568 1419952046 /nfs/dbraw/zinc/95/20/46/1419952046.db2.gz XHQOOQNKHMYPSE-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001715233896 1419965484 /nfs/dbraw/zinc/96/54/84/1419965484.db2.gz MFFQOXLGJPBBCI-RDJZCZTQSA-N 2 2 342.487 3.062 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001715233896 1419965487 /nfs/dbraw/zinc/96/54/87/1419965487.db2.gz MFFQOXLGJPBBCI-RDJZCZTQSA-N 2 2 342.487 3.062 10 0 EGAELP O=C(NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001733247670 1429394551 /nfs/dbraw/zinc/39/45/51/1429394551.db2.gz QQWBIHJYWHBCPA-GOSISDBHSA-N 2 2 346.434 3.102 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001715475333 1420154243 /nfs/dbraw/zinc/15/42/43/1420154243.db2.gz KRLZKCAWSMXIDM-HNAYVOBHSA-N 2 2 346.519 3.058 10 0 EGAELP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715669767 1420287832 /nfs/dbraw/zinc/28/78/32/1420287832.db2.gz KVULFKHIGQXNQS-AQFXKWCLSA-N 2 2 340.471 3.016 10 0 EGAELP CCCCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001716727816 1420886219 /nfs/dbraw/zinc/88/62/19/1420886219.db2.gz JCODWDVRZNEJKJ-GOSISDBHSA-N 2 2 346.519 3.339 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)n1cc[nH+]c1 ZINC001716998343 1421067145 /nfs/dbraw/zinc/06/71/45/1421067145.db2.gz QIVFBXDBHCLSFN-RDGPPVDQSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)n1cc[nH+]c1 ZINC001716998343 1421067146 /nfs/dbraw/zinc/06/71/46/1421067146.db2.gz QIVFBXDBHCLSFN-RDGPPVDQSA-N 2 2 346.519 3.238 10 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ZHPMBGDNIUQIBG-QGZVFWFLSA-N 2 2 342.487 3.027 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001725214649 1425778531 /nfs/dbraw/zinc/77/85/31/1425778531.db2.gz RCBLQMONKHFVJP-SFHVURJKSA-N 2 2 346.519 3.224 10 0 EGAELP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001725494420 1426171984 /nfs/dbraw/zinc/17/19/84/1426171984.db2.gz IFDHTTZATWUZJQ-CYBMUJFWSA-N 2 2 328.460 3.049 10 0 EGAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001725662154 1426345178 /nfs/dbraw/zinc/34/51/78/1426345178.db2.gz HJIORMWLOBFEFT-ZWKOTPCHSA-N 2 2 348.535 3.343 10 0 EGAELP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001725818996 1426494517 /nfs/dbraw/zinc/49/45/17/1426494517.db2.gz ZHVGTDWYADWHMF-IFOCYFHOSA-N 2 2 342.487 3.008 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001725818996 1426494521 /nfs/dbraw/zinc/49/45/21/1426494521.db2.gz ZHVGTDWYADWHMF-IFOCYFHOSA-N 2 2 342.487 3.008 10 0 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CC(C)C[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)n1cc[nH+]c1 ZINC001733718158 1429937064 /nfs/dbraw/zinc/93/70/64/1429937064.db2.gz HTERGFUNQOGLRI-SFHVURJKSA-N 2 2 346.519 3.289 10 0 EGAELP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001734351983 1438070029 /nfs/dbraw/zinc/07/00/29/1438070029.db2.gz WLYBVCQLLCJIRB-HOTGVXAUSA-N 2 2 342.487 3.193 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001734454477 1438111728 /nfs/dbraw/zinc/11/17/28/1438111728.db2.gz BMQHLEJEAAJRHX-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001734454477 1438111729 /nfs/dbraw/zinc/11/17/29/1438111729.db2.gz BMQHLEJEAAJRHX-DLBZAZTESA-N 2 2 334.508 3.086 10 0 EGAELP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001734496781 1438132685 /nfs/dbraw/zinc/13/26/85/1438132685.db2.gz SQTVYOXUNBZWKH-OOFWQKGWSA-N 2 2 340.471 3.359 10 0 EGAELP 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529899123 /nfs/dbraw/zinc/89/91/23/529899123.db2.gz SOSUCJUGJQEBOZ-INIZCTEOSA-N 2 2 332.835 3.052 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178334150 232138980 /nfs/dbraw/zinc/13/89/80/232138980.db2.gz BMURMSCIPYELES-QGZVFWFLSA-N 2 2 329.444 3.134 10 0 EGAELP COc1ccc(OCCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178334150 232138984 /nfs/dbraw/zinc/13/89/84/232138984.db2.gz BMURMSCIPYELES-QGZVFWFLSA-N 2 2 329.444 3.134 10 0 EGAELP COCCC[N@H+](Cc1ccc2cc(F)ccc2n1)C1CC[NH+](C)CC1 ZINC000072479637 216258556 /nfs/dbraw/zinc/25/85/56/216258556.db2.gz JNXHGDDDZBQZMG-UHFFFAOYSA-N 2 2 345.462 3.307 10 0 EGAELP COCCC[N@@H+](Cc1ccc2cc(F)ccc2n1)C1CC[NH+](C)CC1 ZINC000072479637 216258559 /nfs/dbraw/zinc/25/85/59/216258559.db2.gz JNXHGDDDZBQZMG-UHFFFAOYSA-N 2 2 345.462 3.307 10 0 EGAELP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000216493373 241200060 /nfs/dbraw/zinc/20/00/60/241200060.db2.gz UPVNMARUIFSCGE-PGUXBMHVSA-N 2 2 329.257 3.407 10 0 EGAELP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000216493373 241200065 /nfs/dbraw/zinc/20/00/65/241200065.db2.gz UPVNMARUIFSCGE-PGUXBMHVSA-N 2 2 329.257 3.407 10 0 EGAELP COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730084 242007092 /nfs/dbraw/zinc/00/70/92/242007092.db2.gz RCLSWYVQTTZTBG-FPOVZHCZSA-N 2 2 349.434 3.189 10 0 EGAELP COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225730084 242007094 /nfs/dbraw/zinc/00/70/94/242007094.db2.gz RCLSWYVQTTZTBG-FPOVZHCZSA-N 2 2 349.434 3.189 10 0 EGAELP C[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000237550467 242686711 /nfs/dbraw/zinc/68/67/11/242686711.db2.gz OSBAHLSVDGRPGT-CYBMUJFWSA-N 2 2 327.350 3.250 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095342 217361576 /nfs/dbraw/zinc/36/15/76/217361576.db2.gz MZTVUKQTXCENGP-CXAGYDPISA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095342 217361578 /nfs/dbraw/zinc/36/15/78/217361578.db2.gz MZTVUKQTXCENGP-CXAGYDPISA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095342 217361580 /nfs/dbraw/zinc/36/15/80/217361580.db2.gz MZTVUKQTXCENGP-CXAGYDPISA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000081095342 217361582 /nfs/dbraw/zinc/36/15/82/217361582.db2.gz MZTVUKQTXCENGP-CXAGYDPISA-N 2 2 337.895 3.249 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000377640820 169053485 /nfs/dbraw/zinc/05/34/85/169053485.db2.gz JKQADVPRGVTYAT-LJQANCHMSA-N 2 2 344.430 3.414 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nnc2n1CCCCC2 ZINC000378150518 169077253 /nfs/dbraw/zinc/07/72/53/169077253.db2.gz LXCOEROJJUKFMO-MRXNPFEDSA-N 2 2 345.535 3.452 10 0 EGAELP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1OC ZINC000092812690 218170924 /nfs/dbraw/zinc/17/09/24/218170924.db2.gz QINNHTXWIQSUCM-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 EGAELP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1OC ZINC000092812690 218170927 /nfs/dbraw/zinc/17/09/27/218170927.db2.gz QINNHTXWIQSUCM-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813045 218171067 /nfs/dbraw/zinc/17/10/67/218171067.db2.gz USPAXIBNRRXDFE-CQSZACIVSA-N 2 2 347.894 3.273 10 0 EGAELP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813045 218171070 /nfs/dbraw/zinc/17/10/70/218171070.db2.gz USPAXIBNRRXDFE-CQSZACIVSA-N 2 2 347.894 3.273 10 0 EGAELP COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876712 221095961 /nfs/dbraw/zinc/09/59/61/221095961.db2.gz RETZIZYCEIJROQ-APWZRJJASA-N 2 2 339.439 3.038 10 0 EGAELP COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117876712 221095962 /nfs/dbraw/zinc/09/59/62/221095962.db2.gz RETZIZYCEIJROQ-APWZRJJASA-N 2 2 339.439 3.038 10 0 EGAELP CC(C)CCn1cccc1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328636855 258025543 /nfs/dbraw/zinc/02/55/43/258025543.db2.gz OHDRLAZIQJDFGG-QFBILLFUSA-N 2 2 330.476 3.278 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328627486 258032616 /nfs/dbraw/zinc/03/26/16/258032616.db2.gz GHGSROYAEDDVEH-JQHSSLGASA-N 2 2 342.418 3.080 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328627486 258032618 /nfs/dbraw/zinc/03/26/18/258032618.db2.gz GHGSROYAEDDVEH-JQHSSLGASA-N 2 2 342.418 3.080 10 0 EGAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842022 141039170 /nfs/dbraw/zinc/03/91/70/141039170.db2.gz OTJWXZLDHHOGOV-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842022 141039173 /nfs/dbraw/zinc/03/91/73/141039173.db2.gz OTJWXZLDHHOGOV-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842022 141039178 /nfs/dbraw/zinc/03/91/78/141039178.db2.gz OTJWXZLDHHOGOV-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP Cc1ccncc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000353335976 141289352 /nfs/dbraw/zinc/28/93/52/141289352.db2.gz XJXDOCWRWDNRAJ-UHFFFAOYSA-N 2 2 348.450 3.291 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000353335976 141289353 /nfs/dbraw/zinc/28/93/53/141289353.db2.gz XJXDOCWRWDNRAJ-UHFFFAOYSA-N 2 2 348.450 3.291 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000171502225 144005228 /nfs/dbraw/zinc/00/52/28/144005228.db2.gz BLKAPOMTBMWTSK-UHFFFAOYSA-N 2 2 335.398 3.476 10 0 EGAELP CC(C)C[C@@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752861 144027544 /nfs/dbraw/zinc/02/75/44/144027544.db2.gz ROCVTJGROBJXES-GOSISDBHSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)n1 ZINC000187134107 144152847 /nfs/dbraw/zinc/15/28/47/144152847.db2.gz KQHFKPPXVPWIRE-UHFFFAOYSA-N 2 2 338.499 3.232 10 0 EGAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)n1 ZINC000187134107 144152848 /nfs/dbraw/zinc/15/28/48/144152848.db2.gz KQHFKPPXVPWIRE-UHFFFAOYSA-N 2 2 338.499 3.232 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697143 144210839 /nfs/dbraw/zinc/21/08/39/144210839.db2.gz BMFLIKUJNRBYDJ-WDSOQIARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697143 144210841 /nfs/dbraw/zinc/21/08/41/144210841.db2.gz BMFLIKUJNRBYDJ-WDSOQIARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697143 144210842 /nfs/dbraw/zinc/21/08/42/144210842.db2.gz BMFLIKUJNRBYDJ-WDSOQIARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344697143 144210845 /nfs/dbraw/zinc/21/08/45/144210845.db2.gz BMFLIKUJNRBYDJ-WDSOQIARSA-N 2 2 330.472 3.067 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120660289 152292075 /nfs/dbraw/zinc/29/20/75/152292075.db2.gz FUSDIRXXBPTWFB-CKJXQJPGSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120660289 152292078 /nfs/dbraw/zinc/29/20/78/152292078.db2.gz FUSDIRXXBPTWFB-CKJXQJPGSA-N 2 2 340.515 3.078 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813248 152372982 /nfs/dbraw/zinc/37/29/82/152372982.db2.gz IRFCDWBURJIRQI-GHTZIAJQSA-N 3 2 344.547 3.004 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813248 152372985 /nfs/dbraw/zinc/37/29/85/152372985.db2.gz IRFCDWBURJIRQI-GHTZIAJQSA-N 3 2 344.547 3.004 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000189963849 153108443 /nfs/dbraw/zinc/10/84/43/153108443.db2.gz KPCAYZKLAZRJDG-MRXNPFEDSA-N 2 2 339.886 3.081 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192872772 153263492 /nfs/dbraw/zinc/26/34/92/153263492.db2.gz CTZOEIVTEDXJRQ-ZNDGOPKYSA-N 3 2 327.516 3.427 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192872772 153263494 /nfs/dbraw/zinc/26/34/94/153263494.db2.gz CTZOEIVTEDXJRQ-ZNDGOPKYSA-N 3 2 327.516 3.427 10 0 EGAELP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000337406526 154336062 /nfs/dbraw/zinc/33/60/62/154336062.db2.gz UIKCMWJJRCWFGB-NRSPTQNISA-N 2 2 344.499 3.066 10 0 EGAELP CCC[NH+]1CCC(N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112078147 162162239 /nfs/dbraw/zinc/16/22/39/162162239.db2.gz GOLHIUJRTFRCCM-UHFFFAOYSA-N 2 2 325.460 3.158 10 0 EGAELP Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180652060 162755893 /nfs/dbraw/zinc/75/58/93/162755893.db2.gz MDWLVPOSZGKSIX-QGZVFWFLSA-N 2 2 348.450 3.148 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000248607366 163020311 /nfs/dbraw/zinc/02/03/11/163020311.db2.gz GHNNYPIAODQYLT-QFBILLFUSA-N 2 2 341.455 3.305 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000248607366 163020314 /nfs/dbraw/zinc/02/03/14/163020314.db2.gz GHNNYPIAODQYLT-QFBILLFUSA-N 2 2 341.455 3.305 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248887898 163043140 /nfs/dbraw/zinc/04/31/40/163043140.db2.gz RJCXQCHJJLJWGG-JKSUJKDBSA-N 2 2 333.476 3.244 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248887898 163043144 /nfs/dbraw/zinc/04/31/44/163043144.db2.gz RJCXQCHJJLJWGG-JKSUJKDBSA-N 2 2 333.476 3.244 10 0 EGAELP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343667551 164007627 /nfs/dbraw/zinc/00/76/27/164007627.db2.gz ZORZWFMUMATEKI-KRWDZBQOSA-N 2 2 327.457 3.395 10 0 EGAELP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343667551 164007628 /nfs/dbraw/zinc/00/76/28/164007628.db2.gz ZORZWFMUMATEKI-KRWDZBQOSA-N 2 2 327.457 3.395 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884928 164058377 /nfs/dbraw/zinc/05/83/77/164058377.db2.gz AAAURPCEOUKIFA-UZLBHIALSA-N 2 2 334.467 3.124 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000343884928 164058379 /nfs/dbraw/zinc/05/83/79/164058379.db2.gz AAAURPCEOUKIFA-UZLBHIALSA-N 2 2 334.467 3.124 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335183 164370546 /nfs/dbraw/zinc/37/05/46/164370546.db2.gz YOBYNVDJZVNMRV-VQIMIIECSA-N 2 2 340.471 3.431 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335183 164370548 /nfs/dbraw/zinc/37/05/48/164370548.db2.gz YOBYNVDJZVNMRV-VQIMIIECSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335183 164370549 /nfs/dbraw/zinc/37/05/49/164370549.db2.gz YOBYNVDJZVNMRV-VQIMIIECSA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335183 164370551 /nfs/dbraw/zinc/37/05/51/164370551.db2.gz YOBYNVDJZVNMRV-VQIMIIECSA-N 2 2 340.471 3.431 10 0 EGAELP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000351910402 165144863 /nfs/dbraw/zinc/14/48/63/165144863.db2.gz RFEZTYPONDWOLM-HNNXBMFYSA-N 2 2 340.427 3.337 10 0 EGAELP CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000351910402 165144869 /nfs/dbraw/zinc/14/48/69/165144869.db2.gz RFEZTYPONDWOLM-HNNXBMFYSA-N 2 2 340.427 3.337 10 0 EGAELP COCc1cnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352081905 165225641 /nfs/dbraw/zinc/22/56/41/165225641.db2.gz HWCUTFVBXHMGCM-RDJZCZTQSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1cnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352081905 165225643 /nfs/dbraw/zinc/22/56/43/165225643.db2.gz HWCUTFVBXHMGCM-RDJZCZTQSA-N 2 2 345.512 3.290 10 0 EGAELP Cc1ccsc1[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358657113 166928783 /nfs/dbraw/zinc/92/87/83/166928783.db2.gz YMEPTSSLANTGMP-ZDUSSCGKSA-N 2 2 336.423 3.096 10 0 EGAELP Cn1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccc(F)cc2)n1 ZINC000359218896 167098878 /nfs/dbraw/zinc/09/88/78/167098878.db2.gz HJPOPRIQMSNYMK-IBGZPJMESA-N 2 2 339.418 3.135 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000361124798 167529020 /nfs/dbraw/zinc/52/90/20/167529020.db2.gz UDGPNWWKRVGVQK-UHFFFAOYSA-N 2 2 330.472 3.071 10 0 EGAELP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367258191 168199174 /nfs/dbraw/zinc/19/91/74/168199174.db2.gz PBUPKRTUIYUXIB-IRXDYDNUSA-N 2 2 336.842 3.101 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000367910020 168283322 /nfs/dbraw/zinc/28/33/22/168283322.db2.gz HJWGEUIHJBGWJA-LJQANCHMSA-N 2 2 348.441 3.293 10 0 EGAELP C[C@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000367910020 168283324 /nfs/dbraw/zinc/28/33/24/168283324.db2.gz HJWGEUIHJBGWJA-LJQANCHMSA-N 2 2 348.441 3.293 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC000368087632 168308855 /nfs/dbraw/zinc/30/88/55/168308855.db2.gz BPSLJPFBIRWIHQ-MRXNPFEDSA-N 2 2 343.434 3.396 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000368087632 168308856 /nfs/dbraw/zinc/30/88/56/168308856.db2.gz BPSLJPFBIRWIHQ-MRXNPFEDSA-N 2 2 343.434 3.396 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123192455 222232323 /nfs/dbraw/zinc/23/23/23/222232323.db2.gz XTBXXSNAICDPPG-HOJAQTOUSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123192455 222232325 /nfs/dbraw/zinc/23/23/25/222232325.db2.gz XTBXXSNAICDPPG-HOJAQTOUSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123192455 222232326 /nfs/dbraw/zinc/23/23/26/222232326.db2.gz XTBXXSNAICDPPG-HOJAQTOUSA-N 2 2 345.531 3.305 10 0 EGAELP CC(C)C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123192455 222232327 /nfs/dbraw/zinc/23/23/27/222232327.db2.gz XTBXXSNAICDPPG-HOJAQTOUSA-N 2 2 345.531 3.305 10 0 EGAELP COc1ccc(-c2nc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)co2)cc1 ZINC000123745088 222326813 /nfs/dbraw/zinc/32/68/13/222326813.db2.gz UYZDWMFNQREOKA-PBHICJAKSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)co2)cc1 ZINC000123745088 222326816 /nfs/dbraw/zinc/32/68/16/222326816.db2.gz UYZDWMFNQREOKA-PBHICJAKSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)co2)cc1 ZINC000123745088 222326819 /nfs/dbraw/zinc/32/68/19/222326819.db2.gz UYZDWMFNQREOKA-PBHICJAKSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000123745088 222326822 /nfs/dbraw/zinc/32/68/22/222326822.db2.gz UYZDWMFNQREOKA-PBHICJAKSA-N 2 2 329.444 3.265 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000124005741 222363837 /nfs/dbraw/zinc/36/38/37/222363837.db2.gz VVTXKSHJGYKWBH-WCQYABFASA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000124005741 222363842 /nfs/dbraw/zinc/36/38/42/222363842.db2.gz VVTXKSHJGYKWBH-WCQYABFASA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005741 222363844 /nfs/dbraw/zinc/36/38/44/222363844.db2.gz VVTXKSHJGYKWBH-WCQYABFASA-N 2 2 344.286 3.346 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000124005741 222363848 /nfs/dbraw/zinc/36/38/48/222363848.db2.gz VVTXKSHJGYKWBH-WCQYABFASA-N 2 2 344.286 3.346 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647997 227195726 /nfs/dbraw/zinc/19/57/26/227195726.db2.gz DMSJTPDSJPXVBX-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647997 227195731 /nfs/dbraw/zinc/19/57/31/227195731.db2.gz DMSJTPDSJPXVBX-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Fc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)no2)c(F)c1 ZINC000275519838 267374105 /nfs/dbraw/zinc/37/41/05/267374105.db2.gz ZCXXFSQKZRIWDL-UHFFFAOYSA-N 2 2 345.353 3.118 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265703 274027499 /nfs/dbraw/zinc/02/74/99/274027499.db2.gz AMSZOKLDKYSAGQ-BEFAXECRSA-N 2 2 332.488 3.118 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265703 274027502 /nfs/dbraw/zinc/02/75/02/274027502.db2.gz AMSZOKLDKYSAGQ-BEFAXECRSA-N 2 2 332.488 3.118 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104006 274259685 /nfs/dbraw/zinc/25/96/85/274259685.db2.gz ZUBJEADRKMVIGZ-ZYHUDNBSSA-N 2 2 329.835 3.158 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000368104006 274259686 /nfs/dbraw/zinc/25/96/86/274259686.db2.gz ZUBJEADRKMVIGZ-ZYHUDNBSSA-N 2 2 329.835 3.158 10 0 EGAELP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000189464295 274799624 /nfs/dbraw/zinc/79/96/24/274799624.db2.gz BKGIBEJZPXBPJD-FQEVSTJZSA-N 2 2 337.467 3.468 10 0 EGAELP CCn1nccc1CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000283078717 275695890 /nfs/dbraw/zinc/69/58/90/275695890.db2.gz KXHQZLMDYNYVQG-UHFFFAOYSA-N 2 2 337.471 3.441 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973464 276154968 /nfs/dbraw/zinc/15/49/68/276154968.db2.gz PVCFWKGKODHJQH-RCCFBDPRSA-N 2 2 349.906 3.076 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973464 276154969 /nfs/dbraw/zinc/15/49/69/276154969.db2.gz PVCFWKGKODHJQH-RCCFBDPRSA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973464 276154970 /nfs/dbraw/zinc/15/49/70/276154970.db2.gz PVCFWKGKODHJQH-RCCFBDPRSA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973464 276154971 /nfs/dbraw/zinc/15/49/71/276154971.db2.gz PVCFWKGKODHJQH-RCCFBDPRSA-N 2 2 349.906 3.076 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000289531738 276353887 /nfs/dbraw/zinc/35/38/87/276353887.db2.gz GRAGMNFSZSQVMU-LJQANCHMSA-N 2 2 341.430 3.199 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000289531738 276353888 /nfs/dbraw/zinc/35/38/88/276353888.db2.gz GRAGMNFSZSQVMU-LJQANCHMSA-N 2 2 341.430 3.199 10 0 EGAELP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893443 279192192 /nfs/dbraw/zinc/19/21/92/279192192.db2.gz DTNJGDPTKALYLI-PMACEKPBSA-N 2 2 345.531 3.306 10 0 EGAELP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893443 279192195 /nfs/dbraw/zinc/19/21/95/279192195.db2.gz DTNJGDPTKALYLI-PMACEKPBSA-N 2 2 345.531 3.306 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171921358 290229406 /nfs/dbraw/zinc/22/94/06/290229406.db2.gz ZTYCLPSJFOETKR-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000171921358 290229408 /nfs/dbraw/zinc/22/94/08/290229408.db2.gz ZTYCLPSJFOETKR-WBVHZDCISA-N 2 2 337.458 3.128 10 0 EGAELP Cc1c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000414124726 309062393 /nfs/dbraw/zinc/06/23/93/309062393.db2.gz LIFWWSHZJZPCRU-ZDUSSCGKSA-N 2 2 343.862 3.461 10 0 EGAELP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000414130745 309062642 /nfs/dbraw/zinc/06/26/42/309062642.db2.gz XXYKUTIPOZHKNR-FUHWJXTLSA-N 2 2 331.435 3.426 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276993 308021964 /nfs/dbraw/zinc/02/19/64/308021964.db2.gz MGYZPCSLNLWOBZ-MAUKXSAKSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276993 308021965 /nfs/dbraw/zinc/02/19/65/308021965.db2.gz MGYZPCSLNLWOBZ-MAUKXSAKSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276993 308021966 /nfs/dbraw/zinc/02/19/66/308021966.db2.gz MGYZPCSLNLWOBZ-MAUKXSAKSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276993 308021967 /nfs/dbraw/zinc/02/19/67/308021967.db2.gz MGYZPCSLNLWOBZ-MAUKXSAKSA-N 2 2 330.451 3.174 10 0 EGAELP O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484519 309083594 /nfs/dbraw/zinc/08/35/94/309083594.db2.gz JSRKSHLKKIJGPP-AEFFLSMTSA-N 2 2 325.437 3.242 10 0 EGAELP O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484519 309083595 /nfs/dbraw/zinc/08/35/95/309083595.db2.gz JSRKSHLKKIJGPP-AEFFLSMTSA-N 2 2 325.437 3.242 10 0 EGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000414747904 309098711 /nfs/dbraw/zinc/09/87/11/309098711.db2.gz NLIFTFFLBHEEEB-KRWDZBQOSA-N 2 2 327.476 3.025 10 0 EGAELP COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414766022 309099494 /nfs/dbraw/zinc/09/94/94/309099494.db2.gz QKMWZCNIGOAVDN-INIZCTEOSA-N 2 2 338.467 3.338 10 0 EGAELP c1cc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc(C2CC2)[nH+]1 ZINC000301542301 308704576 /nfs/dbraw/zinc/70/45/76/308704576.db2.gz CJVAPLINPRDRNW-UHFFFAOYSA-N 2 2 330.476 3.049 10 0 EGAELP c1nc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000301979347 308723871 /nfs/dbraw/zinc/72/38/71/308723871.db2.gz HKCRCXXZSLJAIT-QGZVFWFLSA-N 2 2 329.492 3.143 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]2)o1 ZINC000414854219 309105670 /nfs/dbraw/zinc/10/56/70/309105670.db2.gz YUTCDRUUVVJURA-KRWDZBQOSA-N 2 2 336.439 3.282 10 0 EGAELP CCC[NH2+]CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414866957 309106269 /nfs/dbraw/zinc/10/62/69/309106269.db2.gz HZAPJEWAOVJYLO-UHFFFAOYSA-N 2 2 327.476 3.149 10 0 EGAELP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876675 309106814 /nfs/dbraw/zinc/10/68/14/309106814.db2.gz KTKWBEAQRIQVEP-NQIIRXRSSA-N 3 2 344.547 3.194 10 0 EGAELP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000415012690 309114319 /nfs/dbraw/zinc/11/43/19/309114319.db2.gz JOLVGJGSBTVBCX-GJZGRUSLSA-N 2 2 344.455 3.108 10 0 EGAELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415017281 309114564 /nfs/dbraw/zinc/11/45/64/309114564.db2.gz PJVSGFOKYONUFO-OLZOCXBDSA-N 2 2 331.847 3.418 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034178 309115662 /nfs/dbraw/zinc/11/56/62/309115662.db2.gz CHPAFOZWBVDPGN-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034178 309115663 /nfs/dbraw/zinc/11/56/63/309115663.db2.gz CHPAFOZWBVDPGN-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052269 309116829 /nfs/dbraw/zinc/11/68/29/309116829.db2.gz NBBZBJQSMFCIHH-RISCZKNCSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052269 309116830 /nfs/dbraw/zinc/11/68/30/309116830.db2.gz NBBZBJQSMFCIHH-RISCZKNCSA-N 2 2 329.307 3.475 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059448 309117398 /nfs/dbraw/zinc/11/73/98/309117398.db2.gz WXEDHEWDOXWGTB-PBHICJAKSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059448 309117399 /nfs/dbraw/zinc/11/73/99/309117399.db2.gz WXEDHEWDOXWGTB-PBHICJAKSA-N 2 2 336.863 3.091 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000419286693 309263107 /nfs/dbraw/zinc/26/31/07/309263107.db2.gz FUPNSCDHSJDNDY-AWEZNQCLSA-N 2 2 333.451 3.068 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391488 309285898 /nfs/dbraw/zinc/28/58/98/309285898.db2.gz ILKIQCGAGQLQSE-CRAIPNDOSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391488 309285899 /nfs/dbraw/zinc/28/58/99/309285899.db2.gz ILKIQCGAGQLQSE-CRAIPNDOSA-N 2 2 342.512 3.273 10 0 EGAELP CC[N@@H+](Cc1nn(C)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420915441 309300745 /nfs/dbraw/zinc/30/07/45/309300745.db2.gz LSPPWYKFZLISQV-UHFFFAOYSA-N 2 2 347.894 3.207 10 0 EGAELP CC[N@H+](Cc1nn(C)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420915441 309300746 /nfs/dbraw/zinc/30/07/46/309300746.db2.gz LSPPWYKFZLISQV-UHFFFAOYSA-N 2 2 347.894 3.207 10 0 EGAELP Cc1c(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1C ZINC000421338836 309319011 /nfs/dbraw/zinc/31/90/11/309319011.db2.gz DTMGOUZWQCRZOI-UHFFFAOYSA-N 2 2 332.879 3.268 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)nc1 ZINC000421392625 309322420 /nfs/dbraw/zinc/32/24/20/309322420.db2.gz XVFJMGAEEPYJNQ-INIZCTEOSA-N 2 2 331.529 3.169 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421826164 309341827 /nfs/dbraw/zinc/34/18/27/309341827.db2.gz RFCAFOPOYGQBFE-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421826164 309341828 /nfs/dbraw/zinc/34/18/28/309341828.db2.gz RFCAFOPOYGQBFE-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422717929 309364600 /nfs/dbraw/zinc/36/46/00/309364600.db2.gz KWMVLDSVZVRAPN-AWEZNQCLSA-N 2 2 326.444 3.330 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CCO)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422806050 309369359 /nfs/dbraw/zinc/36/93/59/309369359.db2.gz HQZAIUBFIREHTG-RBUKOAKNSA-N 2 2 332.488 3.021 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833445 309370857 /nfs/dbraw/zinc/37/08/57/309370857.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 3 2 330.501 3.118 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833445 309370858 /nfs/dbraw/zinc/37/08/58/309370858.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 3 2 330.501 3.118 10 0 EGAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422889792 309374533 /nfs/dbraw/zinc/37/45/33/309374533.db2.gz GVQKWUWVEHZGKC-MRXNPFEDSA-N 3 2 342.487 3.066 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccccc2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422970486 309378925 /nfs/dbraw/zinc/37/89/25/309378925.db2.gz GIYDEYFKQKCBCA-ICSRJNTNSA-N 2 2 326.440 3.026 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422974193 309379137 /nfs/dbraw/zinc/37/91/37/309379137.db2.gz DKOQTEHSWSLKHI-JHVJFLLYSA-N 2 2 340.467 3.415 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(O)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422986159 309379617 /nfs/dbraw/zinc/37/96/17/309379617.db2.gz GNWDUBNIQCAPKR-UXHICEINSA-N 2 2 326.440 3.026 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(CCO)CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423006656 309380534 /nfs/dbraw/zinc/38/05/34/309380534.db2.gz OTZSZWNTZAILEV-UXHICEINSA-N 2 2 346.515 3.411 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021055 309381359 /nfs/dbraw/zinc/38/13/59/309381359.db2.gz DGWOPURFFYKFPM-HAGHYFMRSA-N 2 2 343.421 3.444 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021055 309381360 /nfs/dbraw/zinc/38/13/60/309381360.db2.gz DGWOPURFFYKFPM-HAGHYFMRSA-N 2 2 343.421 3.444 10 0 EGAELP CC(C)[N@@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039856 309382389 /nfs/dbraw/zinc/38/23/89/309382389.db2.gz GBIXAICHDLYVRD-IGNZVWTISA-N 2 2 339.886 3.200 10 0 EGAELP CC(C)[N@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039856 309382390 /nfs/dbraw/zinc/38/23/90/309382390.db2.gz GBIXAICHDLYVRD-IGNZVWTISA-N 2 2 339.886 3.200 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043654 309382584 /nfs/dbraw/zinc/38/25/84/309382584.db2.gz PLWKRCPYMBTYIX-YWEGSRERSA-N 2 2 349.469 3.361 10 0 EGAELP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043654 309382585 /nfs/dbraw/zinc/38/25/85/309382585.db2.gz PLWKRCPYMBTYIX-YWEGSRERSA-N 2 2 349.469 3.361 10 0 EGAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1F ZINC000423044616 309382806 /nfs/dbraw/zinc/38/28/06/309382806.db2.gz BRLSEFVVOILEFU-WBVHZDCISA-N 2 2 340.870 3.113 10 0 EGAELP Cc1c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cnn1C(C)(C)C ZINC000423186332 309389504 /nfs/dbraw/zinc/38/95/04/309389504.db2.gz LATTXZITYRCIPO-OAHLLOKOSA-N 2 2 329.492 3.172 10 0 EGAELP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ncc(-c2ccccc2)n1C ZINC000423187159 309389758 /nfs/dbraw/zinc/38/97/58/309389758.db2.gz MACRJWZQBFOTFA-KRWDZBQOSA-N 2 2 349.482 3.313 10 0 EGAELP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccnn1-c1ccccc1 ZINC000423189496 309389796 /nfs/dbraw/zinc/38/97/96/309389796.db2.gz POHIYHRGTKHIJO-KRWDZBQOSA-N 2 2 335.455 3.098 10 0 EGAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1F ZINC000423229153 309391438 /nfs/dbraw/zinc/39/14/38/309391438.db2.gz GNBWXIHJLSLBPD-KRWDZBQOSA-N 2 2 332.398 3.333 10 0 EGAELP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1Br ZINC000423301619 309394387 /nfs/dbraw/zinc/39/43/87/309394387.db2.gz IBGQONZPNVUTDJ-MRVPVSSYSA-N 2 2 348.082 3.082 10 0 EGAELP COCC[NH2+]CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423339219 309395971 /nfs/dbraw/zinc/39/59/71/309395971.db2.gz 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/nfs/dbraw/zinc/15/75/80/313157580.db2.gz BLGQKDQOFNGPJQ-KRWDZBQOSA-N 2 2 328.500 3.423 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529566121 313356916 /nfs/dbraw/zinc/35/69/16/313356916.db2.gz AGURNFZZHBPCDO-NSHDSACASA-N 2 2 326.263 3.234 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccsc2Br)C1 ZINC000529566121 313356919 /nfs/dbraw/zinc/35/69/19/313356919.db2.gz AGURNFZZHBPCDO-NSHDSACASA-N 2 2 326.263 3.234 10 0 EGAELP COc1ccc(CN2CC[C@@H]2C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000529646121 313378069 /nfs/dbraw/zinc/37/80/69/313378069.db2.gz ZRBMDKNFTQZWTL-HXUWFJFHSA-N 2 2 339.483 3.195 10 0 EGAELP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1O ZINC000529670766 313383194 /nfs/dbraw/zinc/38/31/94/313383194.db2.gz WTXQXDTVTPCZAT-MAUKXSAKSA-N 2 2 332.488 3.328 10 0 EGAELP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1O ZINC000529670766 313383197 /nfs/dbraw/zinc/38/31/97/313383197.db2.gz WTXQXDTVTPCZAT-MAUKXSAKSA-N 2 2 332.488 3.328 10 0 EGAELP CCc1ccc([C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[NH+](CC)CC)cc1 ZINC000551229642 315146514 /nfs/dbraw/zinc/14/65/14/315146514.db2.gz WXAWQAOOUIMIGK-RTBURBONSA-N 2 2 345.531 3.279 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cn2ccccc2n1 ZINC000556234687 315423058 /nfs/dbraw/zinc/42/30/58/315423058.db2.gz XEOBPGBCIZKWTM-CQSZACIVSA-N 2 2 326.419 3.386 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000563217561 315980359 /nfs/dbraw/zinc/98/03/59/315980359.db2.gz NPRXMMQODWRGEM-CABCVRRESA-N 2 2 337.427 3.206 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000565900365 316386293 /nfs/dbraw/zinc/38/62/93/316386293.db2.gz KAAHTIWHUIURPI-QGZVFWFLSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000565900365 316386295 /nfs/dbraw/zinc/38/62/95/316386295.db2.gz KAAHTIWHUIURPI-QGZVFWFLSA-N 2 2 342.487 3.068 10 0 EGAELP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000571342044 317186056 /nfs/dbraw/zinc/18/60/56/317186056.db2.gz UQXCPAHWUABBFI-MRXNPFEDSA-N 2 2 329.448 3.230 10 0 EGAELP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000571342044 317186059 /nfs/dbraw/zinc/18/60/59/317186059.db2.gz UQXCPAHWUABBFI-MRXNPFEDSA-N 2 2 329.448 3.230 10 0 EGAELP Brc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000252486322 455810708 /nfs/dbraw/zinc/81/07/08/455810708.db2.gz ILJLHSHKVOBISG-KWCYVHTRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000252486322 455810715 /nfs/dbraw/zinc/81/07/15/455810715.db2.gz ILJLHSHKVOBISG-KWCYVHTRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000252486322 455810722 /nfs/dbraw/zinc/81/07/22/455810722.db2.gz ILJLHSHKVOBISG-KWCYVHTRSA-N 2 2 341.318 3.427 10 0 EGAELP Brc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000252486322 455810728 /nfs/dbraw/zinc/81/07/28/455810728.db2.gz ILJLHSHKVOBISG-KWCYVHTRSA-N 2 2 341.318 3.427 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000581439084 325362153 /nfs/dbraw/zinc/36/21/53/325362153.db2.gz JBPJEPDSZHCSCK-UHFFFAOYSA-N 2 2 349.219 3.233 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccccc3Br)C2)C1 ZINC000292043933 456838729 /nfs/dbraw/zinc/83/87/29/456838729.db2.gz AWLLHUPUQXGSDZ-KRWDZBQOSA-N 2 2 337.305 3.409 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccccc3Br)C2)C1 ZINC000292043933 456838734 /nfs/dbraw/zinc/83/87/34/456838734.db2.gz AWLLHUPUQXGSDZ-KRWDZBQOSA-N 2 2 337.305 3.409 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccccc3Br)C2)C1 ZINC000292043933 456838743 /nfs/dbraw/zinc/83/87/43/456838743.db2.gz AWLLHUPUQXGSDZ-KRWDZBQOSA-N 2 2 337.305 3.409 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccccc3Br)C2)C1 ZINC000292043933 456838747 /nfs/dbraw/zinc/83/87/47/456838747.db2.gz AWLLHUPUQXGSDZ-KRWDZBQOSA-N 2 2 337.305 3.409 10 0 EGAELP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668286 455222555 /nfs/dbraw/zinc/22/25/55/455222555.db2.gz HGCNYIYLHQHLNU-INIZCTEOSA-N 2 2 340.471 3.314 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894329 455251271 /nfs/dbraw/zinc/25/12/71/455251271.db2.gz GFBUHDYTMKMPEE-HUUCEWRRSA-N 2 2 328.460 3.216 10 0 EGAELP COc1cccc(-c2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)c1 ZINC000631822512 460573129 /nfs/dbraw/zinc/57/31/29/460573129.db2.gz GPLSISKVFUBNBU-FKEKPDDDSA-N 2 2 327.428 3.065 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)c1 ZINC000631822512 460573133 /nfs/dbraw/zinc/57/31/33/460573133.db2.gz GPLSISKVFUBNBU-FKEKPDDDSA-N 2 2 327.428 3.065 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475658 460570568 /nfs/dbraw/zinc/57/05/68/460570568.db2.gz WZCLUAWSLOGNPO-HUUCEWRRSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475658 460570571 /nfs/dbraw/zinc/57/05/71/460570571.db2.gz WZCLUAWSLOGNPO-HUUCEWRRSA-N 2 2 330.394 3.201 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000130469279 454199203 /nfs/dbraw/zinc/19/92/03/454199203.db2.gz FOXRMNVMSHYUPY-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000130469279 454199213 /nfs/dbraw/zinc/19/92/13/454199213.db2.gz FOXRMNVMSHYUPY-UHFFFAOYSA-N 2 2 325.416 3.072 10 0 EGAELP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C)[nH+]c3C)cc2)CC1 ZINC000130580157 454206948 /nfs/dbraw/zinc/20/69/48/454206948.db2.gz RPSJBPKQNNEGOZ-UHFFFAOYSA-N 2 2 338.455 3.093 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000090004397 454260618 /nfs/dbraw/zinc/26/06/18/454260618.db2.gz RCGPESROGQQRHY-ZDUSSCGKSA-N 2 2 328.391 3.155 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000090004397 454260624 /nfs/dbraw/zinc/26/06/24/454260624.db2.gz RCGPESROGQQRHY-ZDUSSCGKSA-N 2 2 328.391 3.155 10 0 EGAELP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000132152517 454317684 /nfs/dbraw/zinc/31/76/84/454317684.db2.gz JRMQAWDEBNCWMD-ZDUSSCGKSA-N 2 2 335.883 3.159 10 0 EGAELP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1NC(C)=O ZINC000090847162 454345483 /nfs/dbraw/zinc/34/54/83/454345483.db2.gz BHQIEIASPWYEPZ-AWEZNQCLSA-N 2 2 327.428 3.250 10 0 EGAELP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000121114460 454393131 /nfs/dbraw/zinc/39/31/31/454393131.db2.gz NDEUJFIHISXSNE-HUUCEWRRSA-N 2 2 343.427 3.265 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121217883 454406891 /nfs/dbraw/zinc/40/68/91/454406891.db2.gz HHQPQNIUBHPDLP-APWZRJJASA-N 2 2 342.487 3.196 10 0 EGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121217883 454406894 /nfs/dbraw/zinc/40/68/94/454406894.db2.gz HHQPQNIUBHPDLP-APWZRJJASA-N 2 2 342.487 3.196 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1nc3cc(Cl)ccc3n1C)C2 ZINC000091315038 454426372 /nfs/dbraw/zinc/42/63/72/454426372.db2.gz PXSPASCOFRLKJU-TZMCWYRMSA-N 2 2 343.862 3.397 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000122856021 454575565 /nfs/dbraw/zinc/57/55/65/454575565.db2.gz CUQNIICPNGCDSZ-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000122856021 454575571 /nfs/dbraw/zinc/57/55/71/454575571.db2.gz CUQNIICPNGCDSZ-GOSISDBHSA-N 2 2 343.471 3.308 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000122917349 454582008 /nfs/dbraw/zinc/58/20/08/454582008.db2.gz CERWGIPZQVOJJC-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000122917349 454582013 /nfs/dbraw/zinc/58/20/13/454582013.db2.gz CERWGIPZQVOJJC-INIZCTEOSA-N 2 2 329.444 3.300 10 0 EGAELP COc1c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C(C)C)nn1C ZINC000065535349 454586321 /nfs/dbraw/zinc/58/63/21/454586321.db2.gz UYQOLJZJRVYIPB-UHFFFAOYSA-N 2 2 339.443 3.028 10 0 EGAELP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080959272 454657306 /nfs/dbraw/zinc/65/73/06/454657306.db2.gz DKMVJISUBDBGSB-CQSZACIVSA-N 2 2 325.391 3.114 10 0 EGAELP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080959272 454657312 /nfs/dbraw/zinc/65/73/12/454657312.db2.gz DKMVJISUBDBGSB-CQSZACIVSA-N 2 2 325.391 3.114 10 0 EGAELP C[C@@H](c1ccccc1F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863501 454662478 /nfs/dbraw/zinc/66/24/78/454662478.db2.gz WYNLYNWXWLNBCC-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP C[C@@H](c1ccccc1F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863501 454662485 /nfs/dbraw/zinc/66/24/85/454662485.db2.gz WYNLYNWXWLNBCC-INIZCTEOSA-N 2 2 330.451 3.180 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000105897819 454667135 /nfs/dbraw/zinc/66/71/35/454667135.db2.gz QRNITNLJQTZFGM-HNNXBMFYSA-N 2 2 331.464 3.254 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000105897819 454667137 /nfs/dbraw/zinc/66/71/37/454667137.db2.gz QRNITNLJQTZFGM-HNNXBMFYSA-N 2 2 331.464 3.254 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000106215497 454685835 /nfs/dbraw/zinc/68/58/35/454685835.db2.gz BUYAEBUOAQFYPV-SFHVURJKSA-N 2 2 346.519 3.264 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000106215497 454685841 /nfs/dbraw/zinc/68/58/41/454685841.db2.gz BUYAEBUOAQFYPV-SFHVURJKSA-N 2 2 346.519 3.264 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000106212527 454685912 /nfs/dbraw/zinc/68/59/12/454685912.db2.gz ZQECBZDMHRXAMV-GOSISDBHSA-N 2 2 346.519 3.169 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000106212527 454685913 /nfs/dbraw/zinc/68/59/13/454685913.db2.gz ZQECBZDMHRXAMV-GOSISDBHSA-N 2 2 346.519 3.169 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000125172668 454802297 /nfs/dbraw/zinc/80/22/97/454802297.db2.gz ZCKFOROGVMKYIP-IAGOWNOFSA-N 2 2 348.454 3.157 10 0 EGAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000125172668 454802300 /nfs/dbraw/zinc/80/23/00/454802300.db2.gz ZCKFOROGVMKYIP-IAGOWNOFSA-N 2 2 348.454 3.157 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000163311307 454838237 /nfs/dbraw/zinc/83/82/37/454838237.db2.gz MDKPVDVTODARPE-GJZGRUSLSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000163311307 454838240 /nfs/dbraw/zinc/83/82/40/454838240.db2.gz MDKPVDVTODARPE-GJZGRUSLSA-N 2 2 342.430 3.358 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000163395751 454844678 /nfs/dbraw/zinc/84/46/78/454844678.db2.gz WBADMTVRNRKBEG-FUHWJXTLSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000163395751 454844682 /nfs/dbraw/zinc/84/46/82/454844682.db2.gz WBADMTVRNRKBEG-FUHWJXTLSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000163395621 454844822 /nfs/dbraw/zinc/84/48/22/454844822.db2.gz WBADMTVRNRKBEG-SJLPKXTDSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000163395621 454844824 /nfs/dbraw/zinc/84/48/24/454844824.db2.gz WBADMTVRNRKBEG-SJLPKXTDSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000163428207 454847829 /nfs/dbraw/zinc/84/78/29/454847829.db2.gz SZQUGHVFWUJJHD-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000163428207 454847832 /nfs/dbraw/zinc/84/78/32/454847832.db2.gz SZQUGHVFWUJJHD-UKRRQHHQSA-N 2 2 326.868 3.110 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000178753902 454972664 /nfs/dbraw/zinc/97/26/64/454972664.db2.gz AIJDBLPRLWJKIK-OAHLLOKOSA-N 2 2 343.862 3.396 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000178753902 454972667 /nfs/dbraw/zinc/97/26/67/454972667.db2.gz AIJDBLPRLWJKIK-OAHLLOKOSA-N 2 2 343.862 3.396 10 0 EGAELP CCOCc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1OC ZINC000179972294 455109087 /nfs/dbraw/zinc/10/90/87/455109087.db2.gz AFSNLLCZZBQZMH-UHFFFAOYSA-N 2 2 332.488 3.292 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160470 455142026 /nfs/dbraw/zinc/14/20/26/455142026.db2.gz IQBNEOWUVRWBKG-FJTLRTSUSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160470 455142031 /nfs/dbraw/zinc/14/20/31/455142031.db2.gz IQBNEOWUVRWBKG-FJTLRTSUSA-N 2 2 339.527 3.397 10 0 EGAELP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1O ZINC000180166006 455143180 /nfs/dbraw/zinc/14/31/80/455143180.db2.gz JIRJSFWIJFXFRG-HNNXBMFYSA-N 2 2 341.455 3.111 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000237479379 455188346 /nfs/dbraw/zinc/18/83/46/455188346.db2.gz WUDWDRYWYQSICT-OAHLLOKOSA-N 2 2 341.455 3.418 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437036 455299692 /nfs/dbraw/zinc/29/96/92/455299692.db2.gz RGQDQTYVLWKTBQ-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437036 455299695 /nfs/dbraw/zinc/29/96/95/455299695.db2.gz RGQDQTYVLWKTBQ-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437036 455299700 /nfs/dbraw/zinc/29/97/00/455299700.db2.gz RGQDQTYVLWKTBQ-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)[C@@H](C)C1 ZINC000245437036 455299705 /nfs/dbraw/zinc/29/97/05/455299705.db2.gz RGQDQTYVLWKTBQ-DOTOQJQBSA-N 2 2 328.460 3.207 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936692 455338502 /nfs/dbraw/zinc/33/85/02/455338502.db2.gz WEBFWCSMOSKKQR-DYVFJYSZSA-N 2 2 336.863 3.123 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936692 455338506 /nfs/dbraw/zinc/33/85/06/455338506.db2.gz WEBFWCSMOSKKQR-DYVFJYSZSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936692 455338512 /nfs/dbraw/zinc/33/85/12/455338512.db2.gz WEBFWCSMOSKKQR-DYVFJYSZSA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@@H]21 ZINC000158936692 455338516 /nfs/dbraw/zinc/33/85/16/455338516.db2.gz WEBFWCSMOSKKQR-DYVFJYSZSA-N 2 2 336.863 3.123 10 0 EGAELP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936562 455343143 /nfs/dbraw/zinc/34/31/43/455343143.db2.gz MBKOLGFLCVXWDW-OXJNMPFZSA-N 2 2 348.450 3.352 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000174286014 455376882 /nfs/dbraw/zinc/37/68/82/455376882.db2.gz HKGSJKPHCPDQPV-NVXWUHKLSA-N 2 2 325.460 3.146 10 0 EGAELP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266712918 455440922 /nfs/dbraw/zinc/44/09/22/455440922.db2.gz FVHOBDIAOGEVIG-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175727175 455488324 /nfs/dbraw/zinc/48/83/24/455488324.db2.gz RBGAJAQLYDRGKF-DNVCBOLYSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175727175 455488329 /nfs/dbraw/zinc/48/83/29/455488329.db2.gz RBGAJAQLYDRGKF-DNVCBOLYSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175727175 455488331 /nfs/dbraw/zinc/48/83/31/455488331.db2.gz RBGAJAQLYDRGKF-DNVCBOLYSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175727175 455488335 /nfs/dbraw/zinc/48/83/35/455488335.db2.gz RBGAJAQLYDRGKF-DNVCBOLYSA-N 2 2 332.488 3.450 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230199 455602698 /nfs/dbraw/zinc/60/26/98/455602698.db2.gz VSRRYYWGCQVNOZ-JXFKEZNVSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292230199 455602703 /nfs/dbraw/zinc/60/27/03/455602703.db2.gz VSRRYYWGCQVNOZ-JXFKEZNVSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292230199 455602707 /nfs/dbraw/zinc/60/27/07/455602707.db2.gz VSRRYYWGCQVNOZ-JXFKEZNVSA-N 2 2 329.488 3.166 10 0 EGAELP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292230199 455602712 /nfs/dbraw/zinc/60/27/12/455602712.db2.gz VSRRYYWGCQVNOZ-JXFKEZNVSA-N 2 2 329.488 3.166 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266941 455612878 /nfs/dbraw/zinc/61/28/78/455612878.db2.gz ZDDFSUYSJPJRNM-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292266941 455612881 /nfs/dbraw/zinc/61/28/81/455612881.db2.gz ZDDFSUYSJPJRNM-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266941 455612885 /nfs/dbraw/zinc/61/28/85/455612885.db2.gz ZDDFSUYSJPJRNM-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292266941 455612888 /nfs/dbraw/zinc/61/28/88/455612888.db2.gz ZDDFSUYSJPJRNM-ACJLOTCBSA-N 2 2 346.862 3.479 10 0 EGAELP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271470071 455649766 /nfs/dbraw/zinc/64/97/66/455649766.db2.gz IIFHEKZOQHZGQB-IEBWSBKVSA-N 2 2 331.504 3.229 10 0 EGAELP Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250785799 455789007 /nfs/dbraw/zinc/78/90/07/455789007.db2.gz UZRQMNMBTIECGK-CHWSQXEVSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250785799 455789015 /nfs/dbraw/zinc/78/90/15/455789015.db2.gz UZRQMNMBTIECGK-CHWSQXEVSA-N 2 2 329.307 3.475 10 0 EGAELP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253416035 455840804 /nfs/dbraw/zinc/84/08/04/455840804.db2.gz NSBLRDUUYODXFV-SFTDATJTSA-N 2 2 340.515 3.204 10 0 EGAELP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000253416035 455840808 /nfs/dbraw/zinc/84/08/08/455840808.db2.gz NSBLRDUUYODXFV-SFTDATJTSA-N 2 2 340.515 3.204 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000280094818 455889497 /nfs/dbraw/zinc/88/94/97/455889497.db2.gz AYQYNQNXDVBKEP-YLJYHZDGSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000280094818 455889500 /nfs/dbraw/zinc/88/95/00/455889500.db2.gz AYQYNQNXDVBKEP-YLJYHZDGSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC000606580665 460699858 /nfs/dbraw/zinc/69/98/58/460699858.db2.gz ZGVXTRGEOKAKHH-KRWDZBQOSA-N 2 2 337.427 3.067 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272393976 455935310 /nfs/dbraw/zinc/93/53/10/455935310.db2.gz DESJRANBVFLTJM-WBVHZDCISA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272393976 455935315 /nfs/dbraw/zinc/93/53/15/455935315.db2.gz DESJRANBVFLTJM-WBVHZDCISA-N 2 2 342.439 3.066 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2)cc1 ZINC000270468040 455961995 /nfs/dbraw/zinc/96/19/95/455961995.db2.gz MVWZIUGMMKXEMX-INIZCTEOSA-N 2 2 344.846 3.436 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202142 455999288 /nfs/dbraw/zinc/99/92/88/455999288.db2.gz RJAJSPOVCVYCMR-LRQRDZAKSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202142 455999293 /nfs/dbraw/zinc/99/92/93/455999293.db2.gz RJAJSPOVCVYCMR-LRQRDZAKSA-N 2 2 347.466 3.363 10 0 EGAELP CC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647098 456104193 /nfs/dbraw/zinc/10/41/93/456104193.db2.gz ZJAFPZVJSRJPSM-HOTGVXAUSA-N 2 2 336.480 3.041 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161569 456149152 /nfs/dbraw/zinc/14/91/52/456149152.db2.gz AXQZPDTZIYBNAS-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161569 456149157 /nfs/dbraw/zinc/14/91/57/456149157.db2.gz AXQZPDTZIYBNAS-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161569 456149161 /nfs/dbraw/zinc/14/91/61/456149161.db2.gz AXQZPDTZIYBNAS-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)[C@@H](C)C1 ZINC000271161569 456149164 /nfs/dbraw/zinc/14/91/64/456149164.db2.gz AXQZPDTZIYBNAS-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CCc1nnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174868 456200738 /nfs/dbraw/zinc/20/07/38/456200738.db2.gz PKAOBSBATSBUAB-GDBMZVCRSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000273174868 456200744 /nfs/dbraw/zinc/20/07/44/456200744.db2.gz PKAOBSBATSBUAB-GDBMZVCRSA-N 2 2 330.501 3.101 10 0 EGAELP Cc1cccn2cc(COc3ccc(C[N@H+](C)CCCO)cc3)[nH+]c12 ZINC000281812310 456328275 /nfs/dbraw/zinc/32/82/75/456328275.db2.gz QIDXGNFNKSWKNE-UHFFFAOYSA-N 2 2 339.439 3.036 10 0 EGAELP Cc1cccn2cc(COc3ccc(C[N@@H+](C)CCCO)cc3)[nH+]c12 ZINC000281812310 456328283 /nfs/dbraw/zinc/32/82/83/456328283.db2.gz QIDXGNFNKSWKNE-UHFFFAOYSA-N 2 2 339.439 3.036 10 0 EGAELP CCCCc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282118195 456417632 /nfs/dbraw/zinc/41/76/32/456417632.db2.gz QKMMVCGHCZPFCT-HNNXBMFYSA-N 2 2 343.475 3.325 10 0 EGAELP CCCCc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282118195 456417637 /nfs/dbraw/zinc/41/76/37/456417637.db2.gz QKMMVCGHCZPFCT-HNNXBMFYSA-N 2 2 343.475 3.325 10 0 EGAELP CC(C)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352964108 456426509 /nfs/dbraw/zinc/42/65/09/456426509.db2.gz AVTNMPDBKXCGQU-RPTUDFQQSA-N 2 2 337.458 3.028 10 0 EGAELP CC(C)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352964108 456426514 /nfs/dbraw/zinc/42/65/14/456426514.db2.gz AVTNMPDBKXCGQU-RPTUDFQQSA-N 2 2 337.458 3.028 10 0 EGAELP C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000353143062 456519096 /nfs/dbraw/zinc/51/90/96/456519096.db2.gz SWXFEGCJNTYCNH-HSZRJFAPSA-N 2 2 345.493 3.102 10 0 EGAELP Cn1cc(-c2ccc(C[NH2+]CCc3cn4ccccc4[nH+]3)s2)cn1 ZINC000337800714 456555319 /nfs/dbraw/zinc/55/53/19/456555319.db2.gz HZXMZDBQPWUSRE-UHFFFAOYSA-N 2 2 337.452 3.129 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000337948348 456617784 /nfs/dbraw/zinc/61/77/84/456617784.db2.gz BYBWPLQMAIJTPY-JKSUJKDBSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000337948348 456617789 /nfs/dbraw/zinc/61/77/89/456617789.db2.gz BYBWPLQMAIJTPY-JKSUJKDBSA-N 2 2 339.439 3.429 10 0 EGAELP Cn1cnc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282822161 456636334 /nfs/dbraw/zinc/63/63/34/456636334.db2.gz UDZVPHUOZRDXDJ-QGZVFWFLSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1cnc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282822161 456636335 /nfs/dbraw/zinc/63/63/35/456636335.db2.gz UDZVPHUOZRDXDJ-QGZVFWFLSA-N 2 2 349.482 3.486 10 0 EGAELP c1ccc(C[N@@H+]2CCCO[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000277231615 456735546 /nfs/dbraw/zinc/73/55/46/456735546.db2.gz SWXKDECIZMLADN-SFHVURJKSA-N 2 2 338.455 3.057 10 0 EGAELP c1ccc(C[N@H+]2CCCO[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000277231615 456735554 /nfs/dbraw/zinc/73/55/54/456735554.db2.gz SWXKDECIZMLADN-SFHVURJKSA-N 2 2 338.455 3.057 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3n2)CC1 ZINC000353612222 456803679 /nfs/dbraw/zinc/80/36/79/456803679.db2.gz RNWBLUJMENDOME-UHFFFAOYSA-N 2 2 326.366 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353631274 456816029 /nfs/dbraw/zinc/81/60/29/456816029.db2.gz KSHKJYNFJWEKSJ-QYRPDUKASA-N 3 2 342.531 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353631274 456816035 /nfs/dbraw/zinc/81/60/35/456816035.db2.gz KSHKJYNFJWEKSJ-QYRPDUKASA-N 3 2 342.531 3.069 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000341274622 456829528 /nfs/dbraw/zinc/82/95/28/456829528.db2.gz RCZSWFNTAJKZJN-RHSMWYFYSA-N 2 2 347.409 3.436 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000341274622 456829537 /nfs/dbraw/zinc/82/95/37/456829537.db2.gz RCZSWFNTAJKZJN-RHSMWYFYSA-N 2 2 347.409 3.436 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000353674123 456846514 /nfs/dbraw/zinc/84/65/14/456846514.db2.gz HPDYTHFUXCFSAS-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000353674123 456846521 /nfs/dbraw/zinc/84/65/21/456846521.db2.gz HPDYTHFUXCFSAS-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000353674123 456846530 /nfs/dbraw/zinc/84/65/30/456846530.db2.gz HPDYTHFUXCFSAS-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000353674123 456846535 /nfs/dbraw/zinc/84/65/35/456846535.db2.gz HPDYTHFUXCFSAS-HOTGVXAUSA-N 2 2 346.519 3.019 10 0 EGAELP C[C@@H]1C[NH+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C[C@@H](C)O1 ZINC000339071034 456926705 /nfs/dbraw/zinc/92/67/05/456926705.db2.gz OYCGPUDPHBIWHK-ANTGDGSKSA-N 2 2 346.515 3.243 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)OC(C)C ZINC000349352809 456950041 /nfs/dbraw/zinc/95/00/41/456950041.db2.gz IBPQIWSBUFCNFH-ZTNFWEORSA-N 2 2 332.488 3.234 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)OC(C)C ZINC000349352809 456950047 /nfs/dbraw/zinc/95/00/47/456950047.db2.gz IBPQIWSBUFCNFH-ZTNFWEORSA-N 2 2 332.488 3.234 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179089 457113887 /nfs/dbraw/zinc/11/38/87/457113887.db2.gz ZORGVXSAKUOMEV-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179089 457113892 /nfs/dbraw/zinc/11/38/92/457113892.db2.gz ZORGVXSAKUOMEV-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179089 457113897 /nfs/dbraw/zinc/11/38/97/457113897.db2.gz ZORGVXSAKUOMEV-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000354179089 457113901 /nfs/dbraw/zinc/11/39/01/457113901.db2.gz ZORGVXSAKUOMEV-SFHVURJKSA-N 2 2 328.485 3.123 10 0 EGAELP CCC[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000360017979 457207011 /nfs/dbraw/zinc/20/70/11/457207011.db2.gz FUMWGPHHTACWEX-GOSISDBHSA-N 2 2 340.471 3.247 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c[nH+]1 ZINC000354429464 457216097 /nfs/dbraw/zinc/21/60/97/457216097.db2.gz XBZOKWSOXOTPSS-INIZCTEOSA-N 2 2 330.863 3.240 10 0 EGAELP CC[N@@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360175450 457289343 /nfs/dbraw/zinc/28/93/43/457289343.db2.gz UWBGSVFPOAYNQT-WMLDXEAASA-N 2 2 336.361 3.450 10 0 EGAELP CC[N@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360175450 457289348 /nfs/dbraw/zinc/28/93/48/457289348.db2.gz UWBGSVFPOAYNQT-WMLDXEAASA-N 2 2 336.361 3.450 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000379895246 457418602 /nfs/dbraw/zinc/41/86/02/457418602.db2.gz GBKRHNZMZBRIEN-HKUYNNGSSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000379895246 457418608 /nfs/dbraw/zinc/41/86/08/457418608.db2.gz GBKRHNZMZBRIEN-HKUYNNGSSA-N 2 2 326.488 3.464 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)nc1 ZINC000360972891 457481323 /nfs/dbraw/zinc/48/13/23/457481323.db2.gz DPFMUALCYCIZIM-CMKODMSKSA-N 2 2 343.515 3.231 10 0 EGAELP COc1cc2c(cc1OC)CC[NH+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000425328489 457499347 /nfs/dbraw/zinc/49/93/47/457499347.db2.gz RNYPRIYGYUNXEI-UHFFFAOYSA-N 2 2 329.444 3.082 10 0 EGAELP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)nc1 ZINC000425420682 457546117 /nfs/dbraw/zinc/54/61/17/457546117.db2.gz PPHSGXIKNLRZND-IBGZPJMESA-N 2 2 336.483 3.451 10 0 EGAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)nc1 ZINC000425420682 457546125 /nfs/dbraw/zinc/54/61/25/457546125.db2.gz PPHSGXIKNLRZND-IBGZPJMESA-N 2 2 336.483 3.451 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(F)c(Cl)cc2F)s1 ZINC000352709214 457548897 /nfs/dbraw/zinc/54/88/97/457548897.db2.gz BMQBCRRUYPRZBL-UHFFFAOYSA-N 2 2 331.819 3.426 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738907 457573196 /nfs/dbraw/zinc/57/31/96/457573196.db2.gz VJZZOPUDZTZFFP-GFCCVEGCSA-N 2 2 335.521 3.315 10 0 EGAELP COC(=O)C[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000361312012 457689225 /nfs/dbraw/zinc/68/92/25/457689225.db2.gz ZSFOGALTUYCQOY-UHFFFAOYSA-N 2 2 331.460 3.398 10 0 EGAELP COC(=O)C[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000361312012 457689228 /nfs/dbraw/zinc/68/92/28/457689228.db2.gz ZSFOGALTUYCQOY-UHFFFAOYSA-N 2 2 331.460 3.398 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000361377546 457711337 /nfs/dbraw/zinc/71/13/37/457711337.db2.gz IRRYKXYZVNSUMO-KXBFYZLASA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000361377546 457711338 /nfs/dbraw/zinc/71/13/38/457711338.db2.gz IRRYKXYZVNSUMO-KXBFYZLASA-N 2 2 342.487 3.101 10 0 EGAELP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000361456553 457737731 /nfs/dbraw/zinc/73/77/31/457737731.db2.gz KVXDJDWJMWENMH-IBGZPJMESA-N 2 2 348.487 3.217 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124508 457800993 /nfs/dbraw/zinc/80/09/93/457800993.db2.gz HEXXEJHOWPQTNA-JOYOIKCWSA-N 2 2 349.219 3.090 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000358124508 457800998 /nfs/dbraw/zinc/80/09/98/457800998.db2.gz HEXXEJHOWPQTNA-JOYOIKCWSA-N 2 2 349.219 3.090 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000361749699 457833029 /nfs/dbraw/zinc/83/30/29/457833029.db2.gz VCVZGYFERLYYGP-SFHVURJKSA-N 2 2 343.377 3.282 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753839 457835568 /nfs/dbraw/zinc/83/55/68/457835568.db2.gz LHIJXIWLMOXSOM-HZSPNIEDSA-N 2 2 333.867 3.054 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753839 457835571 /nfs/dbraw/zinc/83/55/71/457835571.db2.gz LHIJXIWLMOXSOM-HZSPNIEDSA-N 2 2 333.867 3.054 10 0 EGAELP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444615715 457918114 /nfs/dbraw/zinc/91/81/14/457918114.db2.gz AURGCFCQRFPOFD-RTBURBONSA-N 2 2 336.520 3.306 10 0 EGAELP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444615715 457918122 /nfs/dbraw/zinc/91/81/22/457918122.db2.gz AURGCFCQRFPOFD-RTBURBONSA-N 2 2 336.520 3.306 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000358350061 457951411 /nfs/dbraw/zinc/95/14/11/457951411.db2.gz FGAVMUXGZUBDCN-CODKJTEISA-N 2 2 333.907 3.158 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000358350061 457951417 /nfs/dbraw/zinc/95/14/17/457951417.db2.gz FGAVMUXGZUBDCN-CODKJTEISA-N 2 2 333.907 3.158 10 0 EGAELP Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000362496126 458218917 /nfs/dbraw/zinc/21/89/17/458218917.db2.gz AUQTXRWPNUPOTA-KRWDZBQOSA-N 2 2 339.439 3.349 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002196 458251115 /nfs/dbraw/zinc/25/11/15/458251115.db2.gz JHCWFOOOFQDOTL-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002196 458251123 /nfs/dbraw/zinc/25/11/23/458251123.db2.gz JHCWFOOOFQDOTL-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429002196 458251126 /nfs/dbraw/zinc/25/11/26/458251126.db2.gz JHCWFOOOFQDOTL-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429002196 458251131 /nfs/dbraw/zinc/25/11/31/458251131.db2.gz JHCWFOOOFQDOTL-FZKQIMNGSA-N 2 2 346.862 3.479 10 0 EGAELP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CC([NH+]2CCCCC2)C1 ZINC000369555567 458263612 /nfs/dbraw/zinc/26/36/12/458263612.db2.gz DXKLMEALYHQQGE-UHFFFAOYSA-N 2 2 328.464 3.010 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000376591394 458347240 /nfs/dbraw/zinc/34/72/40/458347240.db2.gz CRMCETXCOIIDTR-FUHWJXTLSA-N 2 2 342.418 3.404 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000376591394 458347244 /nfs/dbraw/zinc/34/72/44/458347244.db2.gz CRMCETXCOIIDTR-FUHWJXTLSA-N 2 2 342.418 3.404 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799569 458372662 /nfs/dbraw/zinc/37/26/62/458372662.db2.gz OYTXDUAIPXYATO-HKUYNNGSSA-N 2 2 337.552 3.125 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799569 458372666 /nfs/dbraw/zinc/37/26/66/458372666.db2.gz OYTXDUAIPXYATO-HKUYNNGSSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799569 458372671 /nfs/dbraw/zinc/37/26/71/458372671.db2.gz OYTXDUAIPXYATO-HKUYNNGSSA-N 2 2 337.552 3.125 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)[C@@H](C)C1 ZINC000429799569 458372676 /nfs/dbraw/zinc/37/26/76/458372676.db2.gz OYTXDUAIPXYATO-HKUYNNGSSA-N 2 2 337.552 3.125 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000430126051 458405565 /nfs/dbraw/zinc/40/55/65/458405565.db2.gz POUYHHXBUUAAFZ-OAHLLOKOSA-N 2 2 334.423 3.359 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000430126051 458405568 /nfs/dbraw/zinc/40/55/68/458405568.db2.gz POUYHHXBUUAAFZ-OAHLLOKOSA-N 2 2 334.423 3.359 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459652579 458436329 /nfs/dbraw/zinc/43/63/29/458436329.db2.gz CJELXXDNSRNPGY-UHFFFAOYSA-N 2 2 343.862 3.208 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000423571552 458458258 /nfs/dbraw/zinc/45/82/58/458458258.db2.gz XSFOXMWHVVGOTE-BXUZGUMPSA-N 2 2 344.240 3.084 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000468400556 458515185 /nfs/dbraw/zinc/51/51/85/458515185.db2.gz YAWPYQPRSVOVPI-LJQANCHMSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000468400556 458515192 /nfs/dbraw/zinc/51/51/92/458515192.db2.gz YAWPYQPRSVOVPI-LJQANCHMSA-N 2 2 335.923 3.250 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCC ZINC000377770307 458519727 /nfs/dbraw/zinc/51/97/27/458519727.db2.gz CCDASOKBQGGRJS-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OCC ZINC000377770307 458519730 /nfs/dbraw/zinc/51/97/30/458519730.db2.gz CCDASOKBQGGRJS-OAHLLOKOSA-N 2 2 329.444 3.244 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000424151505 458571303 /nfs/dbraw/zinc/57/13/03/458571303.db2.gz HSXJWJBDLYAUII-UHFFFAOYSA-N 3 2 342.491 3.002 10 0 EGAELP CC(C)n1c[nH+]cc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000424155172 458572190 /nfs/dbraw/zinc/57/21/90/458572190.db2.gz NORUYQWXFSDRJB-UHFFFAOYSA-N 2 2 342.487 3.280 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000531737825 458970529 /nfs/dbraw/zinc/97/05/29/458970529.db2.gz WWPKFTINEFNLQR-PKOBYXMFSA-N 2 2 343.515 3.342 10 0 EGAELP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000531737825 458970530 /nfs/dbraw/zinc/97/05/30/458970530.db2.gz WWPKFTINEFNLQR-PKOBYXMFSA-N 2 2 343.515 3.342 10 0 EGAELP C[NH+](C)C1CC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000519611524 458974315 /nfs/dbraw/zinc/97/43/15/458974315.db2.gz LUMOCXYBJPAKFK-UHFFFAOYSA-N 2 2 338.377 3.278 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823202 459005737 /nfs/dbraw/zinc/00/57/37/459005737.db2.gz FRYRDMULXDWCGH-CABCVRRESA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823202 459005742 /nfs/dbraw/zinc/00/57/42/459005742.db2.gz FRYRDMULXDWCGH-CABCVRRESA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823202 459005746 /nfs/dbraw/zinc/00/57/46/459005746.db2.gz FRYRDMULXDWCGH-CABCVRRESA-N 2 2 347.532 3.139 10 0 EGAELP Cc1nn2c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c(C(C)C)nc2s1 ZINC000566823202 459005749 /nfs/dbraw/zinc/00/57/49/459005749.db2.gz FRYRDMULXDWCGH-CABCVRRESA-N 2 2 347.532 3.139 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556840006 459020081 /nfs/dbraw/zinc/02/00/81/459020081.db2.gz KDRGVMRFQYFIFG-YJBOKZPZSA-N 2 2 345.397 3.186 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556840006 459020088 /nfs/dbraw/zinc/02/00/88/459020088.db2.gz KDRGVMRFQYFIFG-YJBOKZPZSA-N 2 2 345.397 3.186 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920973 459032382 /nfs/dbraw/zinc/03/23/82/459032382.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920973 459032387 /nfs/dbraw/zinc/03/23/87/459032387.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000556920973 459032395 /nfs/dbraw/zinc/03/23/95/459032395.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000556920973 459032402 /nfs/dbraw/zinc/03/24/02/459032402.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996524 459072681 /nfs/dbraw/zinc/07/26/81/459072681.db2.gz HLAXUIWLPMKZPQ-IAQYHMDHSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996524 459072685 /nfs/dbraw/zinc/07/26/85/459072685.db2.gz HLAXUIWLPMKZPQ-IAQYHMDHSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448110 459090502 /nfs/dbraw/zinc/09/05/02/459090502.db2.gz MQQOAPMAQIYDAF-LAUBAEHRSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448110 459090508 /nfs/dbraw/zinc/09/05/08/459090508.db2.gz MQQOAPMAQIYDAF-LAUBAEHRSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448110 459090514 /nfs/dbraw/zinc/09/05/14/459090514.db2.gz MQQOAPMAQIYDAF-LAUBAEHRSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000532448110 459090518 /nfs/dbraw/zinc/09/05/18/459090518.db2.gz MQQOAPMAQIYDAF-LAUBAEHRSA-N 3 2 329.532 3.491 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561047278 459414662 /nfs/dbraw/zinc/41/46/62/459414662.db2.gz YFKWVZZDUAUARN-QRVDHSFSSA-N 2 2 339.886 3.154 10 0 EGAELP CCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561047278 459414665 /nfs/dbraw/zinc/41/46/65/459414665.db2.gz YFKWVZZDUAUARN-QRVDHSFSSA-N 2 2 339.886 3.154 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591866823 459457819 /nfs/dbraw/zinc/45/78/19/459457819.db2.gz GRPKSCDFRUWNME-SJORKVTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591866823 459457823 /nfs/dbraw/zinc/45/78/23/459457823.db2.gz GRPKSCDFRUWNME-SJORKVTESA-N 2 2 326.444 3.164 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866576 459458182 /nfs/dbraw/zinc/45/81/82/459458182.db2.gz CZQPJVVAIGZYEA-QGZVFWFLSA-N 2 2 326.444 3.084 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866576 459458185 /nfs/dbraw/zinc/45/81/85/459458185.db2.gz CZQPJVVAIGZYEA-QGZVFWFLSA-N 2 2 326.444 3.084 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000591915399 459482172 /nfs/dbraw/zinc/48/21/72/459482172.db2.gz IBCKYQLKCWWYIM-CQSZACIVSA-N 2 2 337.370 3.330 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000591915399 459482179 /nfs/dbraw/zinc/48/21/79/459482179.db2.gz IBCKYQLKCWWYIM-CQSZACIVSA-N 2 2 337.370 3.330 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000562100028 459511682 /nfs/dbraw/zinc/51/16/82/459511682.db2.gz MRZCSJANOZPODO-YOEHRIQHSA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000562100028 459511687 /nfs/dbraw/zinc/51/16/87/459511687.db2.gz MRZCSJANOZPODO-YOEHRIQHSA-N 2 2 340.471 3.397 10 0 EGAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N(C)CC1C[NH+](C)C1 ZINC000596452891 459642000 /nfs/dbraw/zinc/64/20/00/459642000.db2.gz HPKCATARSAVGDZ-UHFFFAOYSA-N 2 2 341.455 3.026 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008407 459794806 /nfs/dbraw/zinc/79/48/06/459794806.db2.gz DNGMTLHZSQZKOC-KDOFPFPSSA-N 2 2 345.487 3.321 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1NC(C)=O ZINC000528008407 459794811 /nfs/dbraw/zinc/79/48/11/459794811.db2.gz DNGMTLHZSQZKOC-KDOFPFPSSA-N 2 2 345.487 3.321 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000574692757 459855619 /nfs/dbraw/zinc/85/56/19/459855619.db2.gz UOYJCPFIZUEUMT-UHFFFAOYSA-N 2 2 342.487 3.286 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942709 459876985 /nfs/dbraw/zinc/87/69/85/459876985.db2.gz ATTASNHJWWSGAU-MGPUTAFESA-N 2 2 328.431 3.444 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942709 459876993 /nfs/dbraw/zinc/87/69/93/459876993.db2.gz ATTASNHJWWSGAU-MGPUTAFESA-N 2 2 328.431 3.444 10 0 EGAELP Cn1ccnc1[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000575894836 460029767 /nfs/dbraw/zinc/02/97/67/460029767.db2.gz XEPANPYKNZVMKT-QGZVFWFLSA-N 2 2 343.862 3.429 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n(CCc2ccccc2)n1 ZINC000621725230 460030547 /nfs/dbraw/zinc/03/05/47/460030547.db2.gz HKDAPBULHFCWKO-OAQYLSRUSA-N 2 2 348.450 3.174 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n(CCc2ccccc2)n1 ZINC000621725230 460030552 /nfs/dbraw/zinc/03/05/52/460030552.db2.gz HKDAPBULHFCWKO-OAQYLSRUSA-N 2 2 348.450 3.174 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000599065857 460148702 /nfs/dbraw/zinc/14/87/02/460148702.db2.gz RZNIAFLBTNRTTB-UKBAYJJMSA-N 2 2 336.520 3.351 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000599065857 460148709 /nfs/dbraw/zinc/14/87/09/460148709.db2.gz RZNIAFLBTNRTTB-UKBAYJJMSA-N 2 2 336.520 3.351 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622044033 460169509 /nfs/dbraw/zinc/16/95/09/460169509.db2.gz SCSCIEDGBREGBK-CJNGLKHVSA-N 2 2 342.405 3.441 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCSCC(C)C)CC1 ZINC000599663074 460302367 /nfs/dbraw/zinc/30/23/67/460302367.db2.gz BKKLCYDWQIBQKG-UHFFFAOYSA-N 2 2 328.566 3.343 10 0 EGAELP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611524533 460387512 /nfs/dbraw/zinc/38/75/12/460387512.db2.gz PEZWZJPNVVHJKA-RDJZCZTQSA-N 2 2 343.471 3.414 10 0 EGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611524534 460387797 /nfs/dbraw/zinc/38/77/97/460387797.db2.gz PEZWZJPNVVHJKA-WBVHZDCISA-N 2 2 343.471 3.414 10 0 EGAELP Cc1c[nH+]ccc1CC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623287141 460475894 /nfs/dbraw/zinc/47/58/94/460475894.db2.gz QWQPTKQBKMZUOH-UHFFFAOYSA-N 2 2 332.245 3.148 10 0 EGAELP Cc1c[nH+]ccc1CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287141 460475910 /nfs/dbraw/zinc/47/59/10/460475910.db2.gz QWQPTKQBKMZUOH-UHFFFAOYSA-N 2 2 332.245 3.148 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000631659212 460493706 /nfs/dbraw/zinc/49/37/06/460493706.db2.gz KKGXIZMINNBOMK-NDGTYSDOSA-N 2 2 326.843 3.117 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000631659212 460493714 /nfs/dbraw/zinc/49/37/14/460493714.db2.gz KKGXIZMINNBOMK-NDGTYSDOSA-N 2 2 326.843 3.117 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000634810232 460531813 /nfs/dbraw/zinc/53/18/13/460531813.db2.gz QDLKVCMRSBXCNF-LSDHHAIUSA-N 2 2 325.460 3.051 10 0 EGAELP CC[NH+](CC)C[C@@H](C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623895114 460766299 /nfs/dbraw/zinc/76/62/99/460766299.db2.gz IWSSEBYTKMWEQT-OAHLLOKOSA-N 2 2 325.460 3.139 10 0 EGAELP CC[NH+](CC)C[C@H](C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623895112 460766347 /nfs/dbraw/zinc/76/63/47/460766347.db2.gz IWSSEBYTKMWEQT-HNNXBMFYSA-N 2 2 325.460 3.139 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535093 460799577 /nfs/dbraw/zinc/79/95/77/460799577.db2.gz BNZVAHJUTNMLBM-SDZDHKAXSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535093 460799582 /nfs/dbraw/zinc/79/95/82/460799582.db2.gz BNZVAHJUTNMLBM-SDZDHKAXSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C[NH2+]1 ZINC000629541816 460801411 /nfs/dbraw/zinc/80/14/11/460801411.db2.gz WRZSNJRHRGLNIU-JMSVASOKSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000629548246 460804683 /nfs/dbraw/zinc/80/46/83/460804683.db2.gz MTXFXOPQQWSDQH-ZWKOPEQDSA-N 2 2 327.291 3.326 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[NH2+]1 ZINC000629659594 460853475 /nfs/dbraw/zinc/85/34/75/460853475.db2.gz CTNVXUKKDMYGEX-VQIMIIECSA-N 2 2 338.499 3.455 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000629660265 460853998 /nfs/dbraw/zinc/85/39/98/460853998.db2.gz QVZZRFJUXKYDKM-XHDPSFHLSA-N 2 2 338.377 3.326 10 0 EGAELP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H]3C)cc2)c1 ZINC000629672035 460859871 /nfs/dbraw/zinc/85/98/71/460859871.db2.gz LMACXZTVXHXCAB-VBKZILBWSA-N 2 2 342.439 3.336 10 0 EGAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189572 460903967 /nfs/dbraw/zinc/90/39/67/460903967.db2.gz SHQSFIHBNULTDO-RDJZCZTQSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189572 460903971 /nfs/dbraw/zinc/90/39/71/460903971.db2.gz SHQSFIHBNULTDO-RDJZCZTQSA-N 2 2 345.487 3.019 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225834 460919408 /nfs/dbraw/zinc/91/94/08/460919408.db2.gz COGJERONEBNAND-MRRJBJDNSA-N 2 2 337.870 3.130 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000624225834 460919412 /nfs/dbraw/zinc/91/94/12/460919412.db2.gz COGJERONEBNAND-MRRJBJDNSA-N 2 2 337.870 3.130 10 0 EGAELP CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608071851 460978270 /nfs/dbraw/zinc/97/82/70/460978270.db2.gz 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CCc1nc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)no1 ZINC000652337511 461138204 /nfs/dbraw/zinc/13/82/04/461138204.db2.gz QFIUONFTOVENCI-QGZVFWFLSA-N 2 2 326.444 3.005 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662262411 461150323 /nfs/dbraw/zinc/15/03/23/461150323.db2.gz FFKGJMMBMAEPBL-DOTOQJQBSA-N 2 2 345.512 3.408 10 0 EGAELP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662262411 461150325 /nfs/dbraw/zinc/15/03/25/461150325.db2.gz FFKGJMMBMAEPBL-DOTOQJQBSA-N 2 2 345.512 3.408 10 0 EGAELP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc21 ZINC000662427355 461239212 /nfs/dbraw/zinc/23/92/12/461239212.db2.gz MSSNXOMYSUZOOA-WMZOPIPTSA-N 2 2 338.455 3.156 10 0 EGAELP Cc1cc([C@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(O)cc1Cl ZINC000668678963 461378370 /nfs/dbraw/zinc/37/83/70/461378370.db2.gz VXIPXXJWUGAOTR-ZDUSSCGKSA-N 2 2 348.878 3.143 10 0 EGAELP Cc1cc([C@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(O)cc1Cl ZINC000668678963 461378376 /nfs/dbraw/zinc/37/83/76/461378376.db2.gz VXIPXXJWUGAOTR-ZDUSSCGKSA-N 2 2 348.878 3.143 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCCn4cc[nH+]c43)c2)C[C@@H](C)O1 ZINC000655744879 461411357 /nfs/dbraw/zinc/41/13/57/461411357.db2.gz WFQGEJZWHJGHDY-GPMSIDNRSA-N 2 2 340.471 3.439 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn2ccccc2n1 ZINC000655780411 461443541 /nfs/dbraw/zinc/44/35/41/461443541.db2.gz YJWVRGDXQXTJCH-QRQLOZEOSA-N 2 2 334.467 3.330 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn2ccccc2n1 ZINC000655780411 461443547 /nfs/dbraw/zinc/44/35/47/461443547.db2.gz YJWVRGDXQXTJCH-QRQLOZEOSA-N 2 2 334.467 3.330 10 0 EGAELP Cc1[nH+]ccn1CCCNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656128207 461609899 /nfs/dbraw/zinc/60/98/99/461609899.db2.gz PZNGNEPXYIWVFU-UHFFFAOYSA-N 2 2 328.464 3.110 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149146 461625149 /nfs/dbraw/zinc/62/51/49/461625149.db2.gz WYTMJVGVGOCYOR-DLBZAZTESA-N 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ZINC000647364376 461658317 /nfs/dbraw/zinc/65/83/17/461658317.db2.gz ZBSVBHJGIFSEOD-BHIYHBOVSA-N 2 2 327.472 3.370 10 0 EGAELP COC[C@@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000653474448 461661862 /nfs/dbraw/zinc/66/18/62/461661862.db2.gz OOBNMDVRVPBTCR-CYBMUJFWSA-N 2 2 340.431 3.074 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3cccc4c3CCOC4)c2)c[nH+]1 ZINC000631245067 461672102 /nfs/dbraw/zinc/67/21/02/461672102.db2.gz XMNZWDGKZXSADB-UHFFFAOYSA-N 2 2 325.437 3.296 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253847 461675672 /nfs/dbraw/zinc/67/56/72/461675672.db2.gz YINJTJAJDPHCJT-PBHICJAKSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253847 461675681 /nfs/dbraw/zinc/67/56/81/461675681.db2.gz YINJTJAJDPHCJT-PBHICJAKSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253847 461675690 /nfs/dbraw/zinc/67/56/90/461675690.db2.gz YINJTJAJDPHCJT-PBHICJAKSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253847 461675699 /nfs/dbraw/zinc/67/56/99/461675699.db2.gz YINJTJAJDPHCJT-PBHICJAKSA-N 2 2 330.451 3.234 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480275 461727742 /nfs/dbraw/zinc/72/77/42/461727742.db2.gz IKZIECWIKBEDDF-BBRMVZONSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480275 461727749 /nfs/dbraw/zinc/72/77/49/461727749.db2.gz IKZIECWIKBEDDF-BBRMVZONSA-N 2 2 340.414 3.261 10 0 EGAELP CCCOc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1OCC ZINC000647536823 461753174 /nfs/dbraw/zinc/75/31/74/461753174.db2.gz IVULPFRGPDHZMT-FQEVSTJZSA-N 2 2 332.488 3.450 10 0 EGAELP CCCOc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1OCC ZINC000647536823 461753180 /nfs/dbraw/zinc/75/31/80/461753180.db2.gz IVULPFRGPDHZMT-FQEVSTJZSA-N 2 2 332.488 3.450 10 0 EGAELP COc1cc2cc[nH+]c(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000663704966 461764569 /nfs/dbraw/zinc/76/45/69/461764569.db2.gz RGNYGBCEYNGISC-GXTWGEPZSA-N 2 2 327.428 3.289 10 0 EGAELP COc1cc2cc[nH+]c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000663704966 461764572 /nfs/dbraw/zinc/76/45/72/461764572.db2.gz RGNYGBCEYNGISC-GXTWGEPZSA-N 2 2 327.428 3.289 10 0 EGAELP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474999 461801256 /nfs/dbraw/zinc/80/12/56/461801256.db2.gz PELBOKPRSYEFAQ-INIZCTEOSA-N 2 2 338.442 3.084 10 0 EGAELP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474999 461801263 /nfs/dbraw/zinc/80/12/63/461801263.db2.gz PELBOKPRSYEFAQ-INIZCTEOSA-N 2 2 338.442 3.084 10 0 EGAELP Cc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000656608672 461804695 /nfs/dbraw/zinc/80/46/95/461804695.db2.gz LZFNBUZBQLMINA-GOSISDBHSA-N 2 2 337.471 3.063 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900421 461877143 /nfs/dbraw/zinc/87/71/43/461877143.db2.gz AYBTYIGVTKUKNO-QZTJIDSGSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900421 461877146 /nfs/dbraw/zinc/87/71/46/461877146.db2.gz AYBTYIGVTKUKNO-QZTJIDSGSA-N 2 2 340.471 3.263 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647903736 461878808 /nfs/dbraw/zinc/87/88/08/461878808.db2.gz OXISHYIZNNUFNR-NWDGAFQWSA-N 2 2 333.423 3.434 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647903736 461878815 /nfs/dbraw/zinc/87/88/15/461878815.db2.gz OXISHYIZNNUFNR-NWDGAFQWSA-N 2 2 333.423 3.434 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903765 461879023 /nfs/dbraw/zinc/87/90/23/461879023.db2.gz PEYBXQPJZKCIMC-DNVCBOLYSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903765 461879031 /nfs/dbraw/zinc/87/90/31/461879031.db2.gz PEYBXQPJZKCIMC-DNVCBOLYSA-N 2 2 344.890 3.490 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011051 461939641 /nfs/dbraw/zinc/93/96/41/461939641.db2.gz BJOSKOLGZWWQFS-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011051 461939647 /nfs/dbraw/zinc/93/96/47/461939647.db2.gz BJOSKOLGZWWQFS-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011051 461939652 /nfs/dbraw/zinc/93/96/52/461939652.db2.gz BJOSKOLGZWWQFS-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011051 461939656 /nfs/dbraw/zinc/93/96/56/461939656.db2.gz BJOSKOLGZWWQFS-SFHVURJKSA-N 2 2 326.488 3.344 10 0 EGAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000648010798 461939804 /nfs/dbraw/zinc/93/98/04/461939804.db2.gz TYOZBRBPSWSGKC-LJQANCHMSA-N 2 2 338.499 3.489 10 0 EGAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000648010798 461939809 /nfs/dbraw/zinc/93/98/09/461939809.db2.gz TYOZBRBPSWSGKC-LJQANCHMSA-N 2 2 338.499 3.489 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000664138169 461955905 /nfs/dbraw/zinc/95/59/05/461955905.db2.gz KBXDTKYDAZXHCA-OAHLLOKOSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(-c2cccnc2)[nH+]1 ZINC000664138169 461955913 /nfs/dbraw/zinc/95/59/13/461955913.db2.gz KBXDTKYDAZXHCA-OAHLLOKOSA-N 2 2 325.460 3.379 10 0 EGAELP Fc1ccc(/C=C\C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000648045129 461956514 /nfs/dbraw/zinc/95/65/14/461956514.db2.gz ANACYJUMLVUTBS-VSERLBFKSA-N 2 2 325.431 3.346 10 0 EGAELP Fc1ccc(/C=C\C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000648045129 461956520 /nfs/dbraw/zinc/95/65/20/461956520.db2.gz ANACYJUMLVUTBS-VSERLBFKSA-N 2 2 325.431 3.346 10 0 EGAELP OCC1([C@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)CC=CC1 ZINC000648069157 461967457 /nfs/dbraw/zinc/96/74/57/461967457.db2.gz RTZLKSRVWYREBP-HXUWFJFHSA-N 2 2 333.435 3.494 10 0 EGAELP CC[NH+](CC)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657286813 462018628 /nfs/dbraw/zinc/01/86/28/462018628.db2.gz RUWLHUHSZOKKIF-NRFANRHFSA-N 2 2 349.482 3.440 10 0 EGAELP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311771 462036941 /nfs/dbraw/zinc/03/69/41/462036941.db2.gz URLWRFBOJIUEBD-KRWDZBQOSA-N 2 2 338.499 3.494 10 0 EGAELP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311771 462036946 /nfs/dbraw/zinc/03/69/46/462036946.db2.gz URLWRFBOJIUEBD-KRWDZBQOSA-N 2 2 338.499 3.494 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432473 462117252 /nfs/dbraw/zinc/11/72/52/462117252.db2.gz MNPDYNHSCROFKK-YGRLFVJLSA-N 2 2 327.241 3.259 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000648432473 462117256 /nfs/dbraw/zinc/11/72/56/462117256.db2.gz MNPDYNHSCROFKK-YGRLFVJLSA-N 2 2 327.241 3.259 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523030 462165661 /nfs/dbraw/zinc/16/56/61/462165661.db2.gz CNAKABWSQLIAAA-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523030 462165666 /nfs/dbraw/zinc/16/56/66/462165666.db2.gz CNAKABWSQLIAAA-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccnn2C)c1 ZINC000657526240 462166941 /nfs/dbraw/zinc/16/69/41/462166941.db2.gz DSLYNYJYECFQCC-QGZVFWFLSA-N 2 2 326.488 3.358 10 0 EGAELP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2ccnn2C)c1 ZINC000657526240 462166948 /nfs/dbraw/zinc/16/69/48/462166948.db2.gz DSLYNYJYECFQCC-QGZVFWFLSA-N 2 2 326.488 3.358 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccnn2C)c1 ZINC000657526239 462167156 /nfs/dbraw/zinc/16/71/56/462167156.db2.gz DSLYNYJYECFQCC-KRWDZBQOSA-N 2 2 326.488 3.358 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2ccnn2C)c1 ZINC000657526239 462167162 /nfs/dbraw/zinc/16/71/62/462167162.db2.gz DSLYNYJYECFQCC-KRWDZBQOSA-N 2 2 326.488 3.358 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534840 462170120 /nfs/dbraw/zinc/17/01/20/462170120.db2.gz UNOGBIMOPWHUEG-OXJNMPFZSA-N 2 2 335.451 3.480 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000657534840 462170128 /nfs/dbraw/zinc/17/01/28/462170128.db2.gz UNOGBIMOPWHUEG-OXJNMPFZSA-N 2 2 335.451 3.480 10 0 EGAELP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000657692104 462232301 /nfs/dbraw/zinc/23/23/01/462232301.db2.gz YVBQXTYMIAAENO-QAPCUYQASA-N 2 2 341.484 3.168 10 0 EGAELP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000657706584 462238851 /nfs/dbraw/zinc/23/88/51/462238851.db2.gz DIZZGGAPPZRUOS-MSOLQXFVSA-N 2 2 334.891 3.198 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000648724181 462245605 /nfs/dbraw/zinc/24/56/05/462245605.db2.gz IXZCENCTGYNYCT-GFCCVEGCSA-N 2 2 345.834 3.014 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657829004 462286582 /nfs/dbraw/zinc/28/65/82/462286582.db2.gz XGCWZZDRELNTFP-SFHVURJKSA-N 2 2 333.545 3.074 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651644058 462287271 /nfs/dbraw/zinc/28/72/71/462287271.db2.gz ARLBFGHCLQPALU-QFBILLFUSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651644058 462287278 /nfs/dbraw/zinc/28/72/78/462287278.db2.gz ARLBFGHCLQPALU-QFBILLFUSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000651644058 462287281 /nfs/dbraw/zinc/28/72/81/462287281.db2.gz ARLBFGHCLQPALU-QFBILLFUSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000651644058 462287287 /nfs/dbraw/zinc/28/72/87/462287287.db2.gz ARLBFGHCLQPALU-QFBILLFUSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651644056 462287876 /nfs/dbraw/zinc/28/78/76/462287876.db2.gz ARLBFGHCLQPALU-APWZRJJASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651644056 462287884 /nfs/dbraw/zinc/28/78/84/462287884.db2.gz ARLBFGHCLQPALU-APWZRJJASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000651644056 462287889 /nfs/dbraw/zinc/28/78/89/462287889.db2.gz ARLBFGHCLQPALU-APWZRJJASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000651644056 462287892 /nfs/dbraw/zinc/28/78/92/462287892.db2.gz ARLBFGHCLQPALU-APWZRJJASA-N 2 2 326.488 3.404 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661535342 462297794 /nfs/dbraw/zinc/29/77/94/462297794.db2.gz JDBTVQRNZLCINL-ZDUSSCGKSA-N 2 2 339.365 3.228 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661535342 462297802 /nfs/dbraw/zinc/29/78/02/462297802.db2.gz JDBTVQRNZLCINL-ZDUSSCGKSA-N 2 2 339.365 3.228 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000651712586 462311816 /nfs/dbraw/zinc/31/18/16/462311816.db2.gz LBILMCSYQFAZEK-YTQUADARSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000651712586 462311819 /nfs/dbraw/zinc/31/18/19/462311819.db2.gz LBILMCSYQFAZEK-YTQUADARSA-N 2 2 333.520 3.333 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657903169 462312816 /nfs/dbraw/zinc/31/28/16/462312816.db2.gz DQJOLNFUWOPIKC-WMQCIHAUSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657903169 462312820 /nfs/dbraw/zinc/31/28/20/462312820.db2.gz DQJOLNFUWOPIKC-WMQCIHAUSA-N 2 2 346.515 3.071 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661621224 462332613 /nfs/dbraw/zinc/33/26/13/462332613.db2.gz MNJWMURQQBLDRO-HOTGVXAUSA-N 2 2 329.488 3.464 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000658054322 462359397 /nfs/dbraw/zinc/35/93/97/462359397.db2.gz DIUXNKSOXXQRDC-IAGOWNOFSA-N 2 2 331.504 3.483 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000658054322 462359400 /nfs/dbraw/zinc/35/94/00/462359400.db2.gz DIUXNKSOXXQRDC-IAGOWNOFSA-N 2 2 331.504 3.483 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057631 462362353 /nfs/dbraw/zinc/36/23/53/462362353.db2.gz PMFFAFLQCLIGQB-DZGCQCFKSA-N 2 2 329.488 3.440 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057631 462362360 /nfs/dbraw/zinc/36/23/60/462362360.db2.gz PMFFAFLQCLIGQB-DZGCQCFKSA-N 2 2 329.488 3.440 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2cnccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000665239424 462364834 /nfs/dbraw/zinc/36/48/34/462364834.db2.gz TVNWZAXGECILBU-VQTJNVASSA-N 2 2 325.456 3.024 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690298 462367732 /nfs/dbraw/zinc/36/77/32/462367732.db2.gz LMYQFZITRFFOAJ-GJZGRUSLSA-N 2 2 344.434 3.475 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690298 462367736 /nfs/dbraw/zinc/36/77/36/462367736.db2.gz LMYQFZITRFFOAJ-GJZGRUSLSA-N 2 2 344.434 3.475 10 0 EGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000665249871 462368644 /nfs/dbraw/zinc/36/86/44/462368644.db2.gz AAUOVGXYZSFMCT-MAODMQOUSA-N 2 2 347.466 3.064 10 0 EGAELP COC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096201 462381853 /nfs/dbraw/zinc/38/18/53/462381853.db2.gz PMMQZZKDXKHVBN-UXHICEINSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096201 462381859 /nfs/dbraw/zinc/38/18/59/462381859.db2.gz PMMQZZKDXKHVBN-UXHICEINSA-N 2 2 346.515 3.071 10 0 EGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928654 462382123 /nfs/dbraw/zinc/38/21/23/462382123.db2.gz OKEGZGWIBSLAJL-SFTDATJTSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000651928654 462382127 /nfs/dbraw/zinc/38/21/27/462382127.db2.gz OKEGZGWIBSLAJL-SFTDATJTSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658323775 462477784 /nfs/dbraw/zinc/47/77/84/462477784.db2.gz VYRTVXDRESDATF-CQSZACIVSA-N 2 2 335.398 3.463 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000528137914 478650796 /nfs/dbraw/zinc/65/07/96/478650796.db2.gz HGUDHBKIDKSIHL-QGZVFWFLSA-N 2 2 338.455 3.357 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000528137914 478650802 /nfs/dbraw/zinc/65/08/02/478650802.db2.gz HGUDHBKIDKSIHL-QGZVFWFLSA-N 2 2 338.455 3.357 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000171960134 526641263 /nfs/dbraw/zinc/64/12/63/526641263.db2.gz NCWCXWCBYVZBMW-ZDUSSCGKSA-N 2 2 347.260 3.173 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000171960134 526641272 /nfs/dbraw/zinc/64/12/72/526641272.db2.gz NCWCXWCBYVZBMW-ZDUSSCGKSA-N 2 2 347.260 3.173 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776654 527753062 /nfs/dbraw/zinc/75/30/62/527753062.db2.gz UTNNSVHTOJNDPO-IEBWSBKVSA-N 2 2 331.504 3.090 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776654 527753065 /nfs/dbraw/zinc/75/30/65/527753065.db2.gz UTNNSVHTOJNDPO-IEBWSBKVSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776654 527753067 /nfs/dbraw/zinc/75/30/67/527753067.db2.gz UTNNSVHTOJNDPO-IEBWSBKVSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000174776654 527753071 /nfs/dbraw/zinc/75/30/71/527753071.db2.gz UTNNSVHTOJNDPO-IEBWSBKVSA-N 2 2 331.504 3.090 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171922953 528048458 /nfs/dbraw/zinc/04/84/58/528048458.db2.gz MHSBJHJDKQYBDX-APWZRJJASA-N 2 2 339.439 3.120 10 0 EGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171922953 528048461 /nfs/dbraw/zinc/04/84/61/528048461.db2.gz MHSBJHJDKQYBDX-APWZRJJASA-N 2 2 339.439 3.120 10 0 EGAELP CCC(CC)[C@@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)[NH+](C)C ZINC000350728848 535102560 /nfs/dbraw/zinc/10/25/60/535102560.db2.gz KIUQDCCZEZJTKO-QGZVFWFLSA-N 2 2 327.476 3.047 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1c(C)nn(C)c1C ZINC000356845976 535894414 /nfs/dbraw/zinc/89/44/14/535894414.db2.gz IUFOONXPUPCWEY-HNNXBMFYSA-N 2 2 346.441 3.494 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)[nH+]1 ZINC000081019281 546604670 /nfs/dbraw/zinc/60/46/70/546604670.db2.gz GRRHOMNTMGYMFJ-MRXNPFEDSA-N 2 2 332.411 3.396 10 0 EGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000188418808 547149044 /nfs/dbraw/zinc/14/90/44/547149044.db2.gz UJICICPBHAXJFG-QUCCMNQESA-N 2 2 341.455 3.106 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245598566 547266377 /nfs/dbraw/zinc/26/63/77/547266377.db2.gz OCCVBSDQDNAMLE-JKIFEVAISA-N 2 2 326.843 3.241 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245598566 547266381 /nfs/dbraw/zinc/26/63/81/547266381.db2.gz OCCVBSDQDNAMLE-JKIFEVAISA-N 2 2 326.843 3.241 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569014 /nfs/dbraw/zinc/56/90/14/547569014.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 3 2 333.545 3.347 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569018 /nfs/dbraw/zinc/56/90/18/547569018.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569021 /nfs/dbraw/zinc/56/90/21/547569021.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 3 2 333.545 3.347 10 0 EGAELP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569023 /nfs/dbraw/zinc/56/90/23/547569023.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 3 2 333.545 3.347 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414929503 547861893 /nfs/dbraw/zinc/86/18/93/547861893.db2.gz NZYSLBMIWZOJNT-NHYWBVRUSA-N 2 2 334.261 3.085 10 0 EGAELP Brc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c2ncccc12 ZINC000415064276 547863327 /nfs/dbraw/zinc/86/33/27/547863327.db2.gz CFLISBWWAUGJPG-CYBMUJFWSA-N 2 2 334.261 3.229 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000673600692 548580495 /nfs/dbraw/zinc/58/04/95/548580495.db2.gz LFTKEJPLNATMGV-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000673600692 548580499 /nfs/dbraw/zinc/58/04/99/548580499.db2.gz LFTKEJPLNATMGV-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231793 548706885 /nfs/dbraw/zinc/70/68/85/548706885.db2.gz PRYNHAIMPUBEKK-UWJYYQICSA-N 2 2 342.483 3.268 10 0 EGAELP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231793 548706886 /nfs/dbraw/zinc/70/68/86/548706886.db2.gz PRYNHAIMPUBEKK-UWJYYQICSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231793 548706887 /nfs/dbraw/zinc/70/68/87/548706887.db2.gz PRYNHAIMPUBEKK-UWJYYQICSA-N 2 2 342.483 3.268 10 0 EGAELP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000674231793 548706889 /nfs/dbraw/zinc/70/68/89/548706889.db2.gz PRYNHAIMPUBEKK-UWJYYQICSA-N 2 2 342.483 3.268 10 0 EGAELP Cc1ncc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000675917476 549004128 /nfs/dbraw/zinc/00/41/28/549004128.db2.gz CDUJMWONQVJZOR-BEFAXECRSA-N 2 2 335.455 3.462 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925868 549005758 /nfs/dbraw/zinc/00/57/58/549005758.db2.gz CHAWMIMOBQXQNU-YJBOKZPZSA-N 2 2 344.528 3.209 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(N(C)C)n1 ZINC000675925868 549005759 /nfs/dbraw/zinc/00/57/59/549005759.db2.gz CHAWMIMOBQXQNU-YJBOKZPZSA-N 2 2 344.528 3.209 10 0 EGAELP Cc1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cc(C)c1O ZINC000676899860 549175861 /nfs/dbraw/zinc/17/58/61/549175861.db2.gz FIYWCNNZSGLAEO-UHFFFAOYSA-N 2 2 346.515 3.381 10 0 EGAELP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000685629670 550434548 /nfs/dbraw/zinc/43/45/48/550434548.db2.gz ITUPKZFYFLOSSJ-UKRRQHHQSA-N 2 2 329.444 3.243 10 0 EGAELP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000685629670 550434550 /nfs/dbraw/zinc/43/45/50/550434550.db2.gz ITUPKZFYFLOSSJ-UKRRQHHQSA-N 2 2 329.444 3.243 10 0 EGAELP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000096081101 1292948091 /nfs/dbraw/zinc/94/80/91/1292948091.db2.gz ONNALGISAXGXMD-OALUTQOASA-N 2 2 340.442 3.398 10 0 EGAELP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872072560 1296718002 /nfs/dbraw/zinc/71/80/02/1296718002.db2.gz HHQRDODSYRZBOY-IAGOWNOFSA-N 2 2 331.435 3.032 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310105073 1297090441 /nfs/dbraw/zinc/09/04/41/1297090441.db2.gz ZUZZKKLRCJAINX-UDEWTMQYSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310105073 1297090456 /nfs/dbraw/zinc/09/04/56/1297090456.db2.gz ZUZZKKLRCJAINX-UDEWTMQYSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310105073 1297090471 /nfs/dbraw/zinc/09/04/71/1297090471.db2.gz ZUZZKKLRCJAINX-UDEWTMQYSA-N 3 2 327.516 3.113 10 0 EGAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310105073 1297090489 /nfs/dbraw/zinc/09/04/89/1297090489.db2.gz ZUZZKKLRCJAINX-UDEWTMQYSA-N 3 2 327.516 3.113 10 0 EGAELP C[C@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000386862080 1297594907 /nfs/dbraw/zinc/59/49/07/1297594907.db2.gz JQSIHJXWQAKCSU-SIKLNZKXSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000386862080 1297594916 /nfs/dbraw/zinc/59/49/16/1297594916.db2.gz JQSIHJXWQAKCSU-SIKLNZKXSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@@H](NCC[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862080 1297594927 /nfs/dbraw/zinc/59/49/27/1297594927.db2.gz JQSIHJXWQAKCSU-SIKLNZKXSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862080 1297594936 /nfs/dbraw/zinc/59/49/36/1297594936.db2.gz JQSIHJXWQAKCSU-SIKLNZKXSA-N 2 2 337.511 3.371 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399088081 1297724483 /nfs/dbraw/zinc/72/44/83/1297724483.db2.gz RYVMVTBHRFXWNP-SJORKVTESA-N 2 2 339.524 3.096 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2c[nH]nc2-c2cccnc2)c2cccc[nH+]2)CC1 ZINC000895110980 1309195074 /nfs/dbraw/zinc/19/50/74/1309195074.db2.gz GDXGMBGYXCAWCH-IYARVYRRSA-N 2 2 348.454 3.143 10 0 EGAELP COC(=O)c1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C)o1 ZINC000895117208 1309197650 /nfs/dbraw/zinc/19/76/50/1309197650.db2.gz ZPVASDPEZLXXSQ-WKILWMFISA-N 2 2 343.427 3.046 10 0 EGAELP C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719014 1328676975 /nfs/dbraw/zinc/67/69/75/1328676975.db2.gz LNZQOZSPNOOXIR-IAGOWNOFSA-N 2 2 330.472 3.019 10 0 EGAELP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)c1ccc(O)cc1 ZINC000929719014 1328676982 /nfs/dbraw/zinc/67/69/82/1328676982.db2.gz LNZQOZSPNOOXIR-IAGOWNOFSA-N 2 2 330.472 3.019 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992682 1328759794 /nfs/dbraw/zinc/75/97/94/1328759794.db2.gz UVXCWEYCEANMBP-BZUAXINKSA-N 2 2 348.491 3.092 10 0 EGAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992682 1328759797 /nfs/dbraw/zinc/75/97/97/1328759797.db2.gz UVXCWEYCEANMBP-BZUAXINKSA-N 2 2 348.491 3.092 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921748814 1322391353 /nfs/dbraw/zinc/39/13/53/1322391353.db2.gz KOFWUYFCPTVUTB-MRXNPFEDSA-N 2 2 338.499 3.224 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000921802863 1322399931 /nfs/dbraw/zinc/39/99/31/1322399931.db2.gz YWGUDPMZGJUYPZ-IBGZPJMESA-N 2 2 335.455 3.415 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000922967090 1322665022 /nfs/dbraw/zinc/66/50/22/1322665022.db2.gz DLFSDSAYXOFKAK-HNNXBMFYSA-N 2 2 334.426 3.485 10 0 EGAELP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cn2c(n1)CCCC2 ZINC000924626407 1323081839 /nfs/dbraw/zinc/08/18/39/1323081839.db2.gz VNVRBYMOIWLREC-MRXNPFEDSA-N 2 2 335.455 3.315 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000931751916 1329177358 /nfs/dbraw/zinc/17/73/58/1329177358.db2.gz FAECCDVWTOMJFK-INIZCTEOSA-N 2 2 330.472 3.161 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925222590 1325085331 /nfs/dbraw/zinc/08/53/31/1325085331.db2.gz RWVOJBZCQMSUBQ-SJORKVTESA-N 2 2 347.469 3.257 10 0 EGAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925222590 1325085334 /nfs/dbraw/zinc/08/53/34/1325085334.db2.gz RWVOJBZCQMSUBQ-SJORKVTESA-N 2 2 347.469 3.257 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1-c1ccncc1 ZINC000925443177 1325153044 /nfs/dbraw/zinc/15/30/44/1325153044.db2.gz NGVWSADALCSQKR-SJLPKXTDSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1-c1ccncc1 ZINC000925443177 1325153049 /nfs/dbraw/zinc/15/30/49/1325153049.db2.gz NGVWSADALCSQKR-SJLPKXTDSA-N 2 2 342.512 3.354 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000925501527 1325179260 /nfs/dbraw/zinc/17/92/60/1325179260.db2.gz CUPAZUIHSSSGMQ-GJZGRUSLSA-N 2 2 329.271 3.291 10 0 EGAELP Nc1cc[nH+]c(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c1 ZINC000925767170 1325292191 /nfs/dbraw/zinc/29/21/91/1325292191.db2.gz NRTIINYEAQVUBW-ROUUACIJSA-N 2 2 331.847 3.197 10 0 EGAELP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785723 1325301273 /nfs/dbraw/zinc/30/12/73/1325301273.db2.gz VGRUKJLCZFNEII-CADBVGFASA-N 3 2 349.469 3.016 10 0 EGAELP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925785723 1325301284 /nfs/dbraw/zinc/30/12/84/1325301284.db2.gz VGRUKJLCZFNEII-CADBVGFASA-N 3 2 349.469 3.016 10 0 EGAELP CC(C)c1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925895772 1325348243 /nfs/dbraw/zinc/34/82/43/1325348243.db2.gz BCNPAHARLULFRE-UHFFFAOYSA-N 2 2 346.519 3.478 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCOCC1 ZINC000926956413 1327795839 /nfs/dbraw/zinc/79/58/39/1327795839.db2.gz AJEWLGBOLMYHPT-ZCNNSNEGSA-N 2 2 328.500 3.446 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCOCC1 ZINC000926956413 1327795845 /nfs/dbraw/zinc/79/58/45/1327795845.db2.gz AJEWLGBOLMYHPT-ZCNNSNEGSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060857 1327834619 /nfs/dbraw/zinc/83/46/19/1327834619.db2.gz DIRZASILMBFKTH-AHRSYUTCSA-N 2 2 336.483 3.354 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000927060857 1327834624 /nfs/dbraw/zinc/83/46/24/1327834624.db2.gz DIRZASILMBFKTH-AHRSYUTCSA-N 2 2 336.483 3.354 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC000865407391 1329692710 /nfs/dbraw/zinc/69/27/10/1329692710.db2.gz HWYXZSDNKNEYAP-UHFFFAOYSA-N 2 2 337.423 3.071 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc21 ZINC000865407391 1329692712 /nfs/dbraw/zinc/69/27/12/1329692712.db2.gz HWYXZSDNKNEYAP-UHFFFAOYSA-N 2 2 337.423 3.071 10 0 EGAELP Fc1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)ccc1-n1cc[nH+]c1 ZINC000865761156 1329736072 /nfs/dbraw/zinc/73/60/72/1329736072.db2.gz KKJUECCKSXYBTO-APWZRJJASA-N 2 2 329.419 3.306 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866241495 1330084323 /nfs/dbraw/zinc/08/43/23/1330084323.db2.gz ADMRQSJMRRXRAI-LBPRGKRZSA-N 2 2 337.851 3.243 10 0 EGAELP C[C@H](CCc1cccnc1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000866323212 1330096299 /nfs/dbraw/zinc/09/62/99/1330096299.db2.gz FNSZOQXYGDJAEV-VQIMIIECSA-N 2 2 339.487 3.050 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517004 1330120975 /nfs/dbraw/zinc/12/09/75/1330120975.db2.gz UOQNPYZISCFOBD-YLJXDBKYSA-N 3 2 344.547 3.145 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517004 1330120977 /nfs/dbraw/zinc/12/09/77/1330120977.db2.gz UOQNPYZISCFOBD-YLJXDBKYSA-N 3 2 344.547 3.145 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705717 1330143215 /nfs/dbraw/zinc/14/32/15/1330143215.db2.gz HUPPZRDGKZOAGF-GOSISDBHSA-N 2 2 334.895 3.424 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705717 1330143216 /nfs/dbraw/zinc/14/32/16/1330143216.db2.gz HUPPZRDGKZOAGF-GOSISDBHSA-N 2 2 334.895 3.424 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263031 1387319718 /nfs/dbraw/zinc/31/97/18/1387319718.db2.gz QOKAFNOWPBSRMT-RTBURBONSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263031 1387319720 /nfs/dbraw/zinc/31/97/20/1387319720.db2.gz QOKAFNOWPBSRMT-RTBURBONSA-N 2 2 346.519 3.241 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323693475 1387423003 /nfs/dbraw/zinc/42/30/03/1387423003.db2.gz OMNFLHAOPVECLD-SJORKVTESA-N 2 2 340.471 3.432 10 0 EGAELP CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323693475 1387423005 /nfs/dbraw/zinc/42/30/05/1387423005.db2.gz OMNFLHAOPVECLD-SJORKVTESA-N 2 2 340.471 3.432 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324161516 1387549642 /nfs/dbraw/zinc/54/96/42/1387549642.db2.gz GYGJZQFBLUQBCB-PYTPGESOSA-N 2 2 340.471 3.193 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001324504731 1387654756 /nfs/dbraw/zinc/65/47/56/1387654756.db2.gz DUXWYXULABFBPW-LJQANCHMSA-N 2 2 344.503 3.107 10 0 EGAELP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324893037 1387808353 /nfs/dbraw/zinc/80/83/53/1387808353.db2.gz OISFJEAZMAYIIW-KRWDZBQOSA-N 2 2 348.535 3.243 10 0 EGAELP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324893037 1387808354 /nfs/dbraw/zinc/80/83/54/1387808354.db2.gz OISFJEAZMAYIIW-KRWDZBQOSA-N 2 2 348.535 3.243 10 0 EGAELP COc1ccc(Cl)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197378370 1368801268 /nfs/dbraw/zinc/80/12/68/1368801268.db2.gz XYIROUZXKYDXHC-CQSZACIVSA-N 2 2 331.847 3.454 10 0 EGAELP COc1ccc(Cl)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197378370 1368801270 /nfs/dbraw/zinc/80/12/70/1368801270.db2.gz XYIROUZXKYDXHC-CQSZACIVSA-N 2 2 331.847 3.454 10 0 EGAELP CCCNC(=O)CCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198789987 1369115433 /nfs/dbraw/zinc/11/54/33/1369115433.db2.gz CATSJPBAOFWYFE-MRXNPFEDSA-N 2 2 334.508 3.124 10 0 EGAELP CCCNC(=O)CCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198789987 1369115440 /nfs/dbraw/zinc/11/54/40/1369115440.db2.gz CATSJPBAOFWYFE-MRXNPFEDSA-N 2 2 334.508 3.124 10 0 EGAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266489361 1377320091 /nfs/dbraw/zinc/32/00/91/1377320091.db2.gz CBKASAZDZZLEKN-IYBDPMFKSA-N 2 2 326.444 3.042 10 0 EGAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266489361 1377320093 /nfs/dbraw/zinc/32/00/93/1377320093.db2.gz CBKASAZDZZLEKN-IYBDPMFKSA-N 2 2 326.444 3.042 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001266898144 1377400951 /nfs/dbraw/zinc/40/09/51/1377400951.db2.gz SQAZNIAOZXDEJA-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001266898144 1377400952 /nfs/dbraw/zinc/40/09/52/1377400952.db2.gz SQAZNIAOZXDEJA-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001267340039 1377442517 /nfs/dbraw/zinc/44/25/17/1377442517.db2.gz AQCBCNDGMDADPB-UHFFFAOYSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001267340039 1377442521 /nfs/dbraw/zinc/44/25/21/1377442521.db2.gz AQCBCNDGMDADPB-UHFFFAOYSA-N 2 2 348.535 3.316 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001269693654 1377564642 /nfs/dbraw/zinc/56/46/42/1377564642.db2.gz XQNUGSYEBOOTSH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001269693654 1377564646 /nfs/dbraw/zinc/56/46/46/1377564646.db2.gz XQNUGSYEBOOTSH-BBIZLLLXSA-N 2 2 344.503 3.013 10 0 EGAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCCC2CCCC2)CCCCC1 ZINC001282636244 1378519499 /nfs/dbraw/zinc/51/94/99/1378519499.db2.gz JISYXVCYRNXSBC-UHFFFAOYSA-N 2 2 346.519 3.262 10 0 EGAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001283905845 1379251740 /nfs/dbraw/zinc/25/17/40/1379251740.db2.gz LQBBDHNODYINMH-QFBILLFUSA-N 2 2 338.455 3.031 10 0 EGAELP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328028614 1388648727 /nfs/dbraw/zinc/64/87/27/1388648727.db2.gz GAPNGCWVLQEWQV-FUTAKVPZSA-N 2 2 332.492 3.161 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001293589500 1382308069 /nfs/dbraw/zinc/30/80/69/1382308069.db2.gz HZXZAXYVSXWCHU-BEFAXECRSA-N 2 2 336.370 3.399 10 0 EGAELP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC001328718205 1388822782 /nfs/dbraw/zinc/82/27/82/1388822782.db2.gz YQGRMYLDSYCVBL-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC001328718205 1388822786 /nfs/dbraw/zinc/82/27/86/1388822786.db2.gz YQGRMYLDSYCVBL-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001302597299 1383759724 /nfs/dbraw/zinc/75/97/24/1383759724.db2.gz QKMMVAWTRUNFQG-PMACEKPBSA-N 2 2 341.499 3.086 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001302597299 1383759729 /nfs/dbraw/zinc/75/97/29/1383759729.db2.gz QKMMVAWTRUNFQG-PMACEKPBSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001302597299 1383759731 /nfs/dbraw/zinc/75/97/31/1383759731.db2.gz QKMMVAWTRUNFQG-PMACEKPBSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001302597299 1383759734 /nfs/dbraw/zinc/75/97/34/1383759734.db2.gz QKMMVAWTRUNFQG-PMACEKPBSA-N 2 2 341.499 3.086 10 0 EGAELP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001316770783 1384569586 /nfs/dbraw/zinc/56/95/86/1384569586.db2.gz HLJLAIJJKJJFBJ-KRWDZBQOSA-N 2 2 348.535 3.484 10 0 EGAELP C[C@H](c1ccccc1Cl)[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839707 1384630419 /nfs/dbraw/zinc/63/04/19/1384630419.db2.gz QPLLFUKQWDSOHX-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839707 1384630422 /nfs/dbraw/zinc/63/04/22/1384630422.db2.gz QPLLFUKQWDSOHX-OAHLLOKOSA-N 2 2 348.878 3.126 10 0 EGAELP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316879042 1384663539 /nfs/dbraw/zinc/66/35/39/1384663539.db2.gz KNADILADDKZRSD-PKOBYXMFSA-N 2 2 346.519 3.213 10 0 EGAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899898 1384674103 /nfs/dbraw/zinc/67/41/03/1384674103.db2.gz DDPQWBZFDRMPAD-HKUYNNGSSA-N 2 2 336.907 3.192 10 0 EGAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899898 1384674106 /nfs/dbraw/zinc/67/41/06/1384674106.db2.gz DDPQWBZFDRMPAD-HKUYNNGSSA-N 2 2 336.907 3.192 10 0 EGAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899898 1384674109 /nfs/dbraw/zinc/67/41/09/1384674109.db2.gz DDPQWBZFDRMPAD-HKUYNNGSSA-N 2 2 336.907 3.192 10 0 EGAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl)C1CC1 ZINC001171899898 1384674111 /nfs/dbraw/zinc/67/41/11/1384674111.db2.gz DDPQWBZFDRMPAD-HKUYNNGSSA-N 2 2 336.907 3.192 10 0 EGAELP CC[N@@H+](CC=C(C)C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316896199 1384675708 /nfs/dbraw/zinc/67/57/08/1384675708.db2.gz BBEFNTMJRDWNGJ-UHFFFAOYSA-N 2 2 340.471 3.280 10 0 EGAELP CC[N@H+](CC=C(C)C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316896199 1384675711 /nfs/dbraw/zinc/67/57/11/1384675711.db2.gz BBEFNTMJRDWNGJ-UHFFFAOYSA-N 2 2 340.471 3.280 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC(C)C)CC1 ZINC001317004704 1384764766 /nfs/dbraw/zinc/76/47/66/1384764766.db2.gz BXWBECNFLNSONB-KRWDZBQOSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001317004704 1384764770 /nfs/dbraw/zinc/76/47/70/1384764770.db2.gz BXWBECNFLNSONB-KRWDZBQOSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317047542 1384824178 /nfs/dbraw/zinc/82/41/78/1384824178.db2.gz XPASMUWUNGZLNT-OTWHNJEPSA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317047542 1384824183 /nfs/dbraw/zinc/82/41/83/1384824183.db2.gz XPASMUWUNGZLNT-OTWHNJEPSA-N 2 2 344.503 3.112 10 0 EGAELP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCCCCC1 ZINC001317482384 1385179025 /nfs/dbraw/zinc/17/90/25/1385179025.db2.gz RVVNOQIPXBERLL-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCCCCC1 ZINC001317482384 1385179027 /nfs/dbraw/zinc/17/90/27/1385179027.db2.gz RVVNOQIPXBERLL-UHFFFAOYSA-N 2 2 348.535 3.335 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317853892 1385537100 /nfs/dbraw/zinc/53/71/00/1385537100.db2.gz NINWUDUTXLHPIX-DLBZAZTESA-N 2 2 334.508 3.051 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001317853892 1385537102 /nfs/dbraw/zinc/53/71/02/1385537102.db2.gz NINWUDUTXLHPIX-DLBZAZTESA-N 2 2 334.508 3.051 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665245 1385651223 /nfs/dbraw/zinc/65/12/23/1385651223.db2.gz URNFVWXTMWZWPA-YOEHRIQHSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665245 1385651230 /nfs/dbraw/zinc/65/12/30/1385651230.db2.gz URNFVWXTMWZWPA-YOEHRIQHSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665245 1385651219 /nfs/dbraw/zinc/65/12/19/1385651219.db2.gz URNFVWXTMWZWPA-YOEHRIQHSA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665245 1385651235 /nfs/dbraw/zinc/65/12/35/1385651235.db2.gz URNFVWXTMWZWPA-YOEHRIQHSA-N 2 2 344.952 3.500 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485297 1385717674 /nfs/dbraw/zinc/71/76/74/1385717674.db2.gz QGTCUOZNNJYHSQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485297 1385717677 /nfs/dbraw/zinc/71/76/77/1385717677.db2.gz QGTCUOZNNJYHSQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485297 1385717681 /nfs/dbraw/zinc/71/76/81/1385717681.db2.gz QGTCUOZNNJYHSQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485297 1385717684 /nfs/dbraw/zinc/71/76/84/1385717684.db2.gz QGTCUOZNNJYHSQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319620447 1386213862 /nfs/dbraw/zinc/21/38/62/1386213862.db2.gz OBTVLFCKVGGXLW-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001319692914 1386254522 /nfs/dbraw/zinc/25/45/22/1386254522.db2.gz WMMPVLXCDWYGIN-ZBFHGGJFSA-N 2 2 328.460 3.193 10 0 EGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCCc3ccc(F)cc3)[nH+]c2)C1 ZINC001320753316 1386709322 /nfs/dbraw/zinc/70/93/22/1386709322.db2.gz GJKOPHLTDODXSF-GOSISDBHSA-N 2 2 328.435 3.016 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001322336228 1387162218 /nfs/dbraw/zinc/16/22/18/1387162218.db2.gz IJNCHYJIIVDXDI-DOTOQJQBSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001322336228 1387162221 /nfs/dbraw/zinc/16/22/21/1387162221.db2.gz IJNCHYJIIVDXDI-DOTOQJQBSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001337042629 1389243373 /nfs/dbraw/zinc/24/33/73/1389243373.db2.gz OYOFBJXJDMVUPH-GDBMZVCRSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001337042629 1389243376 /nfs/dbraw/zinc/24/33/76/1389243376.db2.gz OYOFBJXJDMVUPH-GDBMZVCRSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001337042629 1389243377 /nfs/dbraw/zinc/24/33/77/1389243377.db2.gz OYOFBJXJDMVUPH-GDBMZVCRSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001337042629 1389243381 /nfs/dbraw/zinc/24/33/81/1389243381.db2.gz OYOFBJXJDMVUPH-GDBMZVCRSA-N 2 2 336.549 3.356 10 0 EGAELP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001330528934 1389445504 /nfs/dbraw/zinc/44/55/04/1389445504.db2.gz LZGRHEZGCINRSF-BGYRXZFFSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001330528934 1389445506 /nfs/dbraw/zinc/44/55/06/1389445506.db2.gz LZGRHEZGCINRSF-BGYRXZFFSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001330613926 1389470161 /nfs/dbraw/zinc/47/01/61/1389470161.db2.gz QGIDVGZTLHJWQD-FHWLQOOXSA-N 2 2 346.519 3.145 10 0 EGAELP C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001330867510 1389549682 /nfs/dbraw/zinc/54/96/82/1389549682.db2.gz RJKNXMSXXFQDRF-OAHLLOKOSA-N 2 2 328.460 3.013 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]c3ccc(N4CC[NH+](C)CC4)c(C)c3)C[C@H]2C1 ZINC001332005802 1389942290 /nfs/dbraw/zinc/94/22/90/1389942290.db2.gz YRBNMCCBZSESCN-TZRIAGMCSA-N 2 2 343.515 3.362 10 0 EGAELP CC(C)CCC[N@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332711842 1390164725 /nfs/dbraw/zinc/16/47/25/1390164725.db2.gz WYALTXJKKVLVPH-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)CCC[N@@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332711842 1390164727 /nfs/dbraw/zinc/16/47/27/1390164727.db2.gz WYALTXJKKVLVPH-SFHVURJKSA-N 2 2 348.535 3.051 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)O1 ZINC001333017008 1390237439 /nfs/dbraw/zinc/23/74/39/1390237439.db2.gz LXSISSNJHLNRTK-ZNMIVQPWSA-N 2 2 330.350 3.035 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)O1 ZINC001333017008 1390237442 /nfs/dbraw/zinc/23/74/42/1390237442.db2.gz LXSISSNJHLNRTK-ZNMIVQPWSA-N 2 2 330.350 3.035 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H]2CC[C@H](C(F)(F)F)O2)[nH+]1 ZINC001333138116 1390254339 /nfs/dbraw/zinc/25/43/39/1390254339.db2.gz LDRIGRKIVGPZCN-RRFJBIMHSA-N 2 2 343.393 3.376 10 0 EGAELP Cc1cn(C(C)(C)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001333733562 1390386981 /nfs/dbraw/zinc/38/69/81/1390386981.db2.gz HAERVUYEWNMCMF-UHFFFAOYSA-N 2 2 326.444 3.161 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCC2=CCCCC2)CCCC1 ZINC001698796534 1406465740 /nfs/dbraw/zinc/46/57/40/1406465740.db2.gz BLGYAACHLHVXKP-UHFFFAOYSA-N 2 2 344.503 3.251 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCC2=CCCCC2)CCCC1 ZINC001698796534 1406465744 /nfs/dbraw/zinc/46/57/44/1406465744.db2.gz BLGYAACHLHVXKP-UHFFFAOYSA-N 2 2 344.503 3.251 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001488671463 1391701261 /nfs/dbraw/zinc/70/12/61/1391701261.db2.gz KDMNAIKZOLTDJB-LPHOPBHVSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001488671463 1391701269 /nfs/dbraw/zinc/70/12/69/1391701269.db2.gz KDMNAIKZOLTDJB-LPHOPBHVSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001488671463 1391701272 /nfs/dbraw/zinc/70/12/72/1391701272.db2.gz KDMNAIKZOLTDJB-LPHOPBHVSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001488671463 1391701274 /nfs/dbraw/zinc/70/12/74/1391701274.db2.gz KDMNAIKZOLTDJB-LPHOPBHVSA-N 2 2 344.503 3.012 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001479809264 1392403950 /nfs/dbraw/zinc/40/39/50/1392403950.db2.gz ACDVMAYIUXKHRE-CQSZACIVSA-N 2 2 348.878 3.113 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001479809264 1392403953 /nfs/dbraw/zinc/40/39/53/1392403953.db2.gz ACDVMAYIUXKHRE-CQSZACIVSA-N 2 2 348.878 3.113 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965717 1392501522 /nfs/dbraw/zinc/50/15/22/1392501522.db2.gz LHZCFICKTBNKKI-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001479965717 1392501523 /nfs/dbraw/zinc/50/15/23/1392501523.db2.gz LHZCFICKTBNKKI-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965717 1392501528 /nfs/dbraw/zinc/50/15/28/1392501528.db2.gz LHZCFICKTBNKKI-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001479965717 1392501532 /nfs/dbraw/zinc/50/15/32/1392501532.db2.gz LHZCFICKTBNKKI-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)CC(C)C)ccn12 ZINC001698867151 1406582435 /nfs/dbraw/zinc/58/24/35/1406582435.db2.gz KASZGZMKBHPCKI-RHSMWYFYSA-N 2 2 348.466 3.125 10 0 EGAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480381540 1392724928 /nfs/dbraw/zinc/72/49/28/1392724928.db2.gz CZCRNZBYLWJMFJ-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001480381540 1392724931 /nfs/dbraw/zinc/72/49/31/1392724931.db2.gz CZCRNZBYLWJMFJ-FUHWJXTLSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112864 1393122988 /nfs/dbraw/zinc/12/29/88/1393122988.db2.gz NNEWJBCCNZQLKZ-IAGOWNOFSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001481112864 1393122997 /nfs/dbraw/zinc/12/29/97/1393122997.db2.gz NNEWJBCCNZQLKZ-IAGOWNOFSA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001698930747 1406667469 /nfs/dbraw/zinc/66/74/69/1406667469.db2.gz DDPSWOASCUHNJO-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798818 1394349295 /nfs/dbraw/zinc/34/92/95/1394349295.db2.gz LJWYMNSISFVAND-GJGSYKPXSA-N 2 2 344.503 3.256 10 0 EGAELP CCC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798818 1394349303 /nfs/dbraw/zinc/34/93/03/1394349303.db2.gz LJWYMNSISFVAND-GJGSYKPXSA-N 2 2 344.503 3.256 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001481674576 1394442225 /nfs/dbraw/zinc/44/22/25/1394442225.db2.gz WHPHWWGKIMKZJD-CXLTZZKYSA-N 2 2 344.503 3.112 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001481674576 1394442228 /nfs/dbraw/zinc/44/22/28/1394442228.db2.gz WHPHWWGKIMKZJD-CXLTZZKYSA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491160850 1394454249 /nfs/dbraw/zinc/45/42/49/1394454249.db2.gz MXVHSIDKOXFMIY-OAHLLOKOSA-N 2 2 328.460 3.051 10 0 EGAELP CC(C)(C)CC[NH2+]CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001482010183 1394669676 /nfs/dbraw/zinc/66/96/76/1394669676.db2.gz NIXSJWSORIPWFG-UHFFFAOYSA-N 2 2 348.535 3.318 10 0 EGAELP 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MPCBDLVHOHEYPG-HXUWFJFHSA-N 2 2 342.487 3.441 10 0 EGAELP CCCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001732549240 1428728346 /nfs/dbraw/zinc/72/83/46/1428728346.db2.gz LTOPQFJSWXMJFB-UHFFFAOYSA-N 2 2 348.535 3.287 10 0 EGAELP CCCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001732549240 1428728349 /nfs/dbraw/zinc/72/83/49/1428728349.db2.gz LTOPQFJSWXMJFB-UHFFFAOYSA-N 2 2 348.535 3.287 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700104830 1413523377 /nfs/dbraw/zinc/52/33/77/1413523377.db2.gz YCJNFOXWGSFFLT-WKILWMFISA-N 2 2 334.508 3.043 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001700193706 1413627846 /nfs/dbraw/zinc/62/78/46/1413627846.db2.gz JYKUEGNNBOQHOT-KRWDZBQOSA-N 2 2 342.487 3.111 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001700193706 1413627848 /nfs/dbraw/zinc/62/78/48/1413627848.db2.gz JYKUEGNNBOQHOT-KRWDZBQOSA-N 2 2 342.487 3.111 10 0 EGAELP 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C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CC(C)(C)C1 ZINC001700884455 1414543062 /nfs/dbraw/zinc/54/30/62/1414543062.db2.gz FZPQDFHWCTZOQW-FUHWJXTLSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700897561 1414553783 /nfs/dbraw/zinc/55/37/83/1414553783.db2.gz BLVOTQQBDMDHDG-WBVHZDCISA-N 2 2 342.487 3.487 10 0 EGAELP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001732806610 1428984772 /nfs/dbraw/zinc/98/47/72/1428984772.db2.gz HJZXQCGPQWZFNV-AWEZNQCLSA-N 2 2 346.450 3.026 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707049390 1417161487 /nfs/dbraw/zinc/16/14/87/1417161487.db2.gz XNFRVKARBSBWNO-IBGZPJMESA-N 2 2 340.471 3.209 10 0 EGAELP CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707049390 1417161490 /nfs/dbraw/zinc/16/14/90/1417161490.db2.gz XNFRVKARBSBWNO-IBGZPJMESA-N 2 2 340.471 3.209 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001707055034 1417170097 /nfs/dbraw/zinc/17/00/97/1417170097.db2.gz MNUGLUZIYNCOKH-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001707055034 1417170100 /nfs/dbraw/zinc/17/01/00/1417170100.db2.gz MNUGLUZIYNCOKH-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001707055034 1417170103 /nfs/dbraw/zinc/17/01/03/1417170103.db2.gz MNUGLUZIYNCOKH-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001707055034 1417170104 /nfs/dbraw/zinc/17/01/04/1417170104.db2.gz MNUGLUZIYNCOKH-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001707162228 1417225730 /nfs/dbraw/zinc/22/57/30/1417225730.db2.gz FGBDAPQKOXVRKI-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001713026539 1417578245 /nfs/dbraw/zinc/57/82/45/1417578245.db2.gz QEDMVDYNHZGUPE-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001713026539 1417578248 /nfs/dbraw/zinc/57/82/48/1417578248.db2.gz QEDMVDYNHZGUPE-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCC(C)C)CC1 ZINC001713101442 1417654410 /nfs/dbraw/zinc/65/44/10/1417654410.db2.gz TWOLXQYMAZNLDR-UHFFFAOYSA-N 2 2 334.508 3.091 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001713101442 1417654413 /nfs/dbraw/zinc/65/44/13/1417654413.db2.gz TWOLXQYMAZNLDR-UHFFFAOYSA-N 2 2 334.508 3.091 10 0 EGAELP CCCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001713101351 1417654736 /nfs/dbraw/zinc/65/47/36/1417654736.db2.gz RVLMHYMFDKSRNY-QGZVFWFLSA-N 2 2 348.535 3.102 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713215615 1417790835 /nfs/dbraw/zinc/79/08/35/1417790835.db2.gz OYGLDUCUYIOWOB-CGKZAZMGSA-N 2 2 344.503 3.088 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713215615 1417790841 /nfs/dbraw/zinc/79/08/41/1417790841.db2.gz OYGLDUCUYIOWOB-CGKZAZMGSA-N 2 2 344.503 3.088 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713215615 1417790845 /nfs/dbraw/zinc/79/08/45/1417790845.db2.gz OYGLDUCUYIOWOB-CGKZAZMGSA-N 2 2 344.503 3.088 10 0 EGAELP CCC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713215615 1417790849 /nfs/dbraw/zinc/79/08/49/1417790849.db2.gz OYGLDUCUYIOWOB-CGKZAZMGSA-N 2 2 344.503 3.088 10 0 EGAELP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001713410303 1418033143 /nfs/dbraw/zinc/03/31/43/1418033143.db2.gz IXQOZMQYJZEWGF-CYBMUJFWSA-N 2 2 328.460 3.097 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CC(C)C)c2ccccc2)c[nH+]1 ZINC001713702509 1418460784 /nfs/dbraw/zinc/46/07/84/1418460784.db2.gz KQNIDFILBOWMDC-GOSISDBHSA-N 2 2 342.487 3.030 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1)n1cc[nH+]c1 ZINC001713705054 1418464943 /nfs/dbraw/zinc/46/49/43/1418464943.db2.gz QKYFXDBLHJXIQW-XNHCWWPPSA-N 2 2 346.862 3.034 10 0 EGAELP C[C@H](CC(=O)NC1CCC([NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001714196765 1419001425 /nfs/dbraw/zinc/00/14/25/1419001425.db2.gz MCYLUVYENIKWHI-IPJUCJBFSA-N 2 2 346.519 3.432 10 0 EGAELP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714215002 1419012822 /nfs/dbraw/zinc/01/28/22/1419012822.db2.gz VNQYDOSKZTZFCQ-GJZGRUSLSA-N 2 2 346.450 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c[nH+]1 ZINC001714246923 1419033701 /nfs/dbraw/zinc/03/37/01/1419033701.db2.gz MSMRBKNDYCEUGP-WBVHZDCISA-N 2 2 342.487 3.091 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714302655 1419082744 /nfs/dbraw/zinc/08/27/44/1419082744.db2.gz YKKFXJBYSHBSDR-WKILWMFISA-N 2 2 326.444 3.160 10 0 EGAELP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714403416 1419145836 /nfs/dbraw/zinc/14/58/36/1419145836.db2.gz MVEFWISEASUIOF-JKSUJKDBSA-N 2 2 342.487 3.401 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714497200 1419221836 /nfs/dbraw/zinc/22/18/36/1419221836.db2.gz NYPLSHIKXLPNMD-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP O=C(NCC1([NH2+]CCC2CCCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001714497200 1419221838 /nfs/dbraw/zinc/22/18/38/1419221838.db2.gz NYPLSHIKXLPNMD-IAGOWNOFSA-N 2 2 344.503 3.112 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001714968776 1419704574 /nfs/dbraw/zinc/70/45/74/1419704574.db2.gz YLQZVRGMJXBFHH-IBGZPJMESA-N 2 2 346.519 3.099 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715118135 1419863333 /nfs/dbraw/zinc/86/33/33/1419863333.db2.gz DSLLGYCMNVUEOE-FOIQADDNSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715118135 1419863338 /nfs/dbraw/zinc/86/33/38/1419863338.db2.gz DSLLGYCMNVUEOE-FOIQADDNSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)=CC[NH2+]CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001715177533 1419912917 /nfs/dbraw/zinc/91/29/17/1419912917.db2.gz RKNKBXBNPPULLR-KRWDZBQOSA-N 2 2 332.492 3.019 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001715372154 1420068232 /nfs/dbraw/zinc/06/82/32/1420068232.db2.gz NMRSHWNVBAMDED-KGLIPLIRSA-N 2 2 346.450 3.024 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001715435915 1420122501 /nfs/dbraw/zinc/12/25/01/1420122501.db2.gz FXSJQGXGDPTKFL-FTWHOSCRSA-N 2 2 346.862 3.290 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H](C)CC(C)C ZINC001715451375 1420134092 /nfs/dbraw/zinc/13/40/92/1420134092.db2.gz UMZLTRPVKTWENC-AEFFLSMTSA-N 2 2 348.535 3.304 10 0 EGAELP CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC1=CCCCC1 ZINC001715502561 1420185464 /nfs/dbraw/zinc/18/54/64/1420185464.db2.gz JQMKGUVTEGSYRX-FUHWJXTLSA-N 2 2 332.492 3.065 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH2+]CCC(C)C)ccn12 ZINC001715555678 1420249784 /nfs/dbraw/zinc/24/97/84/1420249784.db2.gz LYAXKHVDBUMYBU-QZTJIDSGSA-N 2 2 342.487 3.177 10 0 EGAELP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715714155 1420307334 /nfs/dbraw/zinc/30/73/34/1420307334.db2.gz PFQHLEZGZCHYJC-WMLDXEAASA-N 2 2 348.878 3.172 10 0 EGAELP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715952703 1420419429 /nfs/dbraw/zinc/41/94/29/1420419429.db2.gz WISXUVOMSHSUIO-HZPDHXFCSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715952703 1420419431 /nfs/dbraw/zinc/41/94/31/1420419431.db2.gz WISXUVOMSHSUIO-HZPDHXFCSA-N 2 2 342.487 3.006 10 0 EGAELP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716148020 1420542022 /nfs/dbraw/zinc/54/20/22/1420542022.db2.gz FFADAWHLFXPVHH-DJIMGWMZSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716148020 1420542025 /nfs/dbraw/zinc/54/20/25/1420542025.db2.gz FFADAWHLFXPVHH-DJIMGWMZSA-N 2 2 346.519 3.214 10 0 EGAELP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716224918 1420572070 /nfs/dbraw/zinc/57/20/70/1420572070.db2.gz ZGELYPJDLJQZPN-UHFFFAOYSA-N 2 2 330.476 3.441 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001716707502 1420861646 /nfs/dbraw/zinc/86/16/46/1420861646.db2.gz ZIGMFYKKMIOFHG-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001716707502 1420861650 /nfs/dbraw/zinc/86/16/50/1420861650.db2.gz ZIGMFYKKMIOFHG-RTBURBONSA-N 2 2 346.519 3.166 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896251 1421023958 /nfs/dbraw/zinc/02/39/58/1421023958.db2.gz MCUZKZVELBTBMW-OXQOHEQNSA-N 2 2 342.487 3.212 10 0 EGAELP CC[C@@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896251 1421023959 /nfs/dbraw/zinc/02/39/59/1421023959.db2.gz MCUZKZVELBTBMW-OXQOHEQNSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896223 1421024067 /nfs/dbraw/zinc/02/40/67/1421024067.db2.gz LLIOSPVWSZUXLS-FQEVSTJZSA-N 2 2 340.471 3.132 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896223 1421024068 /nfs/dbraw/zinc/02/40/68/1421024068.db2.gz LLIOSPVWSZUXLS-FQEVSTJZSA-N 2 2 340.471 3.132 10 0 EGAELP CC1(C)CC(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC2)C1 ZINC001717153272 1421143468 /nfs/dbraw/zinc/14/34/68/1421143468.db2.gz OPDDRDDYOWWSIM-UHFFFAOYSA-N 2 2 340.471 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196952 1421163184 /nfs/dbraw/zinc/16/31/84/1421163184.db2.gz PAEUKWKVVASMOO-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001717196952 1421163185 /nfs/dbraw/zinc/16/31/85/1421163185.db2.gz PAEUKWKVVASMOO-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357038 1421292792 /nfs/dbraw/zinc/29/27/92/1421292792.db2.gz VOKFQLQYJCDJMU-IAGOWNOFSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717357038 1421292793 /nfs/dbraw/zinc/29/27/93/1421292793.db2.gz VOKFQLQYJCDJMU-IAGOWNOFSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357038 1421292795 /nfs/dbraw/zinc/29/27/95/1421292795.db2.gz VOKFQLQYJCDJMU-IAGOWNOFSA-N 2 2 348.535 3.195 10 0 EGAELP CC[C@@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717357038 1421292796 /nfs/dbraw/zinc/29/27/96/1421292796.db2.gz VOKFQLQYJCDJMU-IAGOWNOFSA-N 2 2 348.535 3.195 10 0 EGAELP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)c1cccc2[nH+]ccn21 ZINC001717524996 1421460816 /nfs/dbraw/zinc/46/08/16/1421460816.db2.gz YXXZKDUMDMLXHS-UHFFFAOYSA-N 2 2 340.471 3.157 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001717684920 1421565618 /nfs/dbraw/zinc/56/56/18/1421565618.db2.gz FTGJSUWLIRAAHE-IAGOWNOFSA-N 2 2 342.487 3.205 10 0 EGAELP C[C@H](CCC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001717689234 1421567431 /nfs/dbraw/zinc/56/74/31/1421567431.db2.gz JKBJOVRKBLHOMS-KGLIPLIRSA-N 2 2 348.878 3.241 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H]([NH2+]CC[C@@H](C)F)C(C)(C)C2)c(C)[nH+]1 ZINC001717897054 1421694756 /nfs/dbraw/zinc/69/47/56/1421694756.db2.gz FBLXDBFDPVGVIZ-CZUORRHYSA-N 2 2 335.467 3.195 10 0 EGAELP CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001717903819 1421700054 /nfs/dbraw/zinc/70/00/54/1421700054.db2.gz ZWHLDTXVYSCEIJ-MRXNPFEDSA-N 2 2 334.508 3.094 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001733532614 1429739198 /nfs/dbraw/zinc/73/91/98/1429739198.db2.gz DZBXIQMHLQOZCW-CRAIPNDOSA-N 2 2 346.519 3.058 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001724303083 1424787557 /nfs/dbraw/zinc/78/75/57/1424787557.db2.gz SXCRRRWHEXMIEM-VOTSOKGWSA-N 2 2 346.519 3.225 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848933 1425207219 /nfs/dbraw/zinc/20/72/19/1425207219.db2.gz PSLWFDKFEQOUEM-DLBZAZTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724848933 1425207227 /nfs/dbraw/zinc/20/72/27/1425207227.db2.gz PSLWFDKFEQOUEM-DLBZAZTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848933 1425207231 /nfs/dbraw/zinc/20/72/31/1425207231.db2.gz PSLWFDKFEQOUEM-DLBZAZTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724848933 1425207234 /nfs/dbraw/zinc/20/72/34/1425207234.db2.gz PSLWFDKFEQOUEM-DLBZAZTESA-N 2 2 334.508 3.139 10 0 EGAELP CC1([NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001724954772 1425340101 /nfs/dbraw/zinc/34/01/01/1425340101.db2.gz AKILMRKUMRFWEP-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP CC1([NH2+]CCC2CCCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001724954772 1425340106 /nfs/dbraw/zinc/34/01/06/1425340106.db2.gz AKILMRKUMRFWEP-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040648 1425465497 /nfs/dbraw/zinc/46/54/97/1425465497.db2.gz KEVFVKRZEQHEQY-AKBADGPISA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040648 1425465514 /nfs/dbraw/zinc/46/55/14/1425465514.db2.gz KEVFVKRZEQHEQY-AKBADGPISA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040648 1425465515 /nfs/dbraw/zinc/46/55/15/1425465515.db2.gz KEVFVKRZEQHEQY-AKBADGPISA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040648 1425465517 /nfs/dbraw/zinc/46/55/17/1425465517.db2.gz KEVFVKRZEQHEQY-AKBADGPISA-N 2 2 344.503 3.182 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001725095564 1425539393 /nfs/dbraw/zinc/53/93/93/1425539393.db2.gz MNMUMYDNNDAVOX-UONOGXRCSA-N 2 2 328.460 3.240 10 0 EGAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1=CCCCC1 ZINC001725501470 1426182338 /nfs/dbraw/zinc/18/23/38/1426182338.db2.gz NQKZEXKESBIFGS-MRXNPFEDSA-N 2 2 340.471 3.275 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001725606859 1426263803 /nfs/dbraw/zinc/26/38/03/1426263803.db2.gz IZUBAECBPWXNRR-FXAWDEMLSA-N 2 2 346.519 3.213 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001725606859 1426263806 /nfs/dbraw/zinc/26/38/06/1426263806.db2.gz IZUBAECBPWXNRR-FXAWDEMLSA-N 2 2 346.519 3.213 10 0 EGAELP CC[C@H](c1ccccc1)[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001725732844 1426404831 /nfs/dbraw/zinc/40/48/31/1426404831.db2.gz MWFMPGDFEOBGLX-LJQANCHMSA-N 2 2 342.487 3.203 10 0 EGAELP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001725732844 1426404832 /nfs/dbraw/zinc/40/48/32/1426404832.db2.gz MWFMPGDFEOBGLX-LJQANCHMSA-N 2 2 342.487 3.203 10 0 EGAELP CC/C=C/CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396210 1427351851 /nfs/dbraw/zinc/35/18/51/1427351851.db2.gz MXQKZQCNFCBZDG-OAJJDEHYSA-N 2 2 326.444 3.017 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731499988 1427479056 /nfs/dbraw/zinc/47/90/56/1427479056.db2.gz HUHOGLDSAHNFCE-KRWDZBQOSA-N 2 2 342.487 3.356 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731499988 1427479060 /nfs/dbraw/zinc/47/90/60/1427479060.db2.gz HUHOGLDSAHNFCE-KRWDZBQOSA-N 2 2 342.487 3.356 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731561024 1427596386 /nfs/dbraw/zinc/59/63/86/1427596386.db2.gz CTTCBVQXOHMPPQ-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001731561024 1427596389 /nfs/dbraw/zinc/59/63/89/1427596389.db2.gz CTTCBVQXOHMPPQ-PKOBYXMFSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731561022 1427596683 /nfs/dbraw/zinc/59/66/83/1427596683.db2.gz CTTCBVQXOHMPPQ-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001731561022 1427596687 /nfs/dbraw/zinc/59/66/87/1427596687.db2.gz CTTCBVQXOHMPPQ-IEBWSBKVSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001731568904 1427608235 /nfs/dbraw/zinc/60/82/35/1427608235.db2.gz HAHURGLBQWQAOA-DAWZGUTISA-N 2 2 334.508 3.143 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCCC3CCCC3)ccn12 ZINC001731909788 1428168022 /nfs/dbraw/zinc/16/80/22/1428168022.db2.gz JOARRJDEBZUMKV-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP CC(C)CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001733911675 1437729936 /nfs/dbraw/zinc/72/99/36/1437729936.db2.gz VCWQXKNNKIEEEG-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733932927 1437746254 /nfs/dbraw/zinc/74/62/54/1437746254.db2.gz RTTNKQNECZHKAL-KRWDZBQOSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733932927 1437746256 /nfs/dbraw/zinc/74/62/56/1437746256.db2.gz RTTNKQNECZHKAL-KRWDZBQOSA-N 2 2 334.508 3.040 10 0 EGAELP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001734086197 1437871777 /nfs/dbraw/zinc/87/17/77/1437871777.db2.gz CGLBNRWQZPYBLK-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP CCC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106631 1437893143 /nfs/dbraw/zinc/89/31/43/1437893143.db2.gz RTZUFGYKYYTZES-QWNKOJSDSA-N 2 2 346.519 3.070 10 0 EGAELP CCC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001734106631 1437893144 /nfs/dbraw/zinc/89/31/44/1437893144.db2.gz RTZUFGYKYYTZES-QWNKOJSDSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCC(C)(C)C ZINC001734288864 1438018222 /nfs/dbraw/zinc/01/82/22/1438018222.db2.gz UNMFWYQGKFUTIB-DLBZAZTESA-N 2 2 348.535 3.002 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001734446615 1438107631 /nfs/dbraw/zinc/10/76/31/1438107631.db2.gz QEFWPBXIRJWEEF-UWWQBHOKSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)C[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)n1cc[nH+]c1 ZINC001734496804 1438132832 /nfs/dbraw/zinc/13/28/32/1438132832.db2.gz SWVKIYKIZZWPPV-ROUUACIJSA-N 2 2 346.519 3.097 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001734562556 1438159573 /nfs/dbraw/zinc/15/95/73/1438159573.db2.gz CCNAQVHQBNRXFO-SJLPKXTDSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001734563349 1438159889 /nfs/dbraw/zinc/15/98/89/1438159889.db2.gz XCWDGWMNYONFNE-NUJGCVRESA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001734563349 1438159890 /nfs/dbraw/zinc/15/98/90/1438159890.db2.gz XCWDGWMNYONFNE-NUJGCVRESA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001734565649 1438161368 /nfs/dbraw/zinc/16/13/68/1438161368.db2.gz ZJWYIUNTHZSXCD-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946056 1440118590 /nfs/dbraw/zinc/11/85/90/1440118590.db2.gz XREJAXSZQNVLAB-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946056 1440118592 /nfs/dbraw/zinc/11/85/92/1440118592.db2.gz XREJAXSZQNVLAB-IAGOWNOFSA-N 2 2 348.535 3.241 10 0 EGAELP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103676 168312022 /nfs/dbraw/zinc/31/20/22/168312022.db2.gz XVYKYYNQMNHNBW-DOMZBBRYSA-N 2 2 339.418 3.251 10 0 EGAELP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000368103676 168312024 /nfs/dbraw/zinc/31/20/24/168312024.db2.gz XVYKYYNQMNHNBW-DOMZBBRYSA-N 2 2 339.418 3.251 10 0 EGAELP CC[N@H+](C[C@@H](O)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368394280 168350503 /nfs/dbraw/zinc/35/05/03/168350503.db2.gz UJAHJQKLFKWRIJ-GOSISDBHSA-N 2 2 348.535 3.216 10 0 EGAELP CC[N@@H+](C[C@@H](O)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368394280 168350506 /nfs/dbraw/zinc/35/05/06/168350506.db2.gz UJAHJQKLFKWRIJ-GOSISDBHSA-N 2 2 348.535 3.216 10 0 EGAELP COc1cc(Nc2nc3c(s2)C[NH2+]CC3)ccc1-n1c[nH+]c(C)c1 ZINC000098179782 219086484 /nfs/dbraw/zinc/08/64/84/219086484.db2.gz YHARNFZAQUQIRE-UHFFFAOYSA-N 2 2 341.440 3.035 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000171613820 529761329 /nfs/dbraw/zinc/76/13/29/529761329.db2.gz YZWGSJUUPONQFC-KRWDZBQOSA-N 2 2 345.418 3.288 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000171613820 529761330 /nfs/dbraw/zinc/76/13/30/529761330.db2.gz YZWGSJUUPONQFC-KRWDZBQOSA-N 2 2 345.418 3.288 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191343925 529760740 /nfs/dbraw/zinc/76/07/40/529760740.db2.gz OYDKBUHXTKIGGI-GOSISDBHSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191343925 529760741 /nfs/dbraw/zinc/76/07/41/529760741.db2.gz OYDKBUHXTKIGGI-GOSISDBHSA-N 2 2 335.455 3.468 10 0 EGAELP Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179687181 233323438 /nfs/dbraw/zinc/32/34/38/233323438.db2.gz FNSASIIOBXFMFG-UHFFFAOYSA-N 2 2 348.450 3.037 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311896 299272072 /nfs/dbraw/zinc/27/20/72/299272072.db2.gz HRMVAHFNSBBABY-HNNXBMFYSA-N 3 2 343.506 3.349 10 0 EGAELP CCCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000415014725 309114345 /nfs/dbraw/zinc/11/43/45/309114345.db2.gz XFESNLJYLLKLQH-QWRGUYRKSA-N 2 2 345.281 3.072 10 0 EGAELP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377652199 169054987 /nfs/dbraw/zinc/05/49/87/169054987.db2.gz PPMXRSXDUZYPSY-HXUWFJFHSA-N 2 2 338.499 3.219 10 0 EGAELP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377652199 169054988 /nfs/dbraw/zinc/05/49/88/169054988.db2.gz PPMXRSXDUZYPSY-HXUWFJFHSA-N 2 2 338.499 3.219 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377652199 169054989 /nfs/dbraw/zinc/05/49/89/169054989.db2.gz PPMXRSXDUZYPSY-HXUWFJFHSA-N 3 2 338.499 3.219 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377652199 169054992 /nfs/dbraw/zinc/05/49/92/169054992.db2.gz PPMXRSXDUZYPSY-HXUWFJFHSA-N 3 2 338.499 3.219 10 0 EGAELP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000378408002 169115926 /nfs/dbraw/zinc/11/59/26/169115926.db2.gz ZDAFGLVLXHRJGL-RBUKOAKNSA-N 2 2 331.504 3.229 10 0 EGAELP Cc1ccccc1Cc1noc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000267459511 251075586 /nfs/dbraw/zinc/07/55/86/251075586.db2.gz RGNPSZRACQXSFD-UHFFFAOYSA-N 2 2 337.427 3.072 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762731 252214055 /nfs/dbraw/zinc/21/40/55/252214055.db2.gz MEVRSKSCOYURBQ-GHTZIAJQSA-N 3 2 348.494 3.377 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268762731 252214060 /nfs/dbraw/zinc/21/40/60/252214060.db2.gz MEVRSKSCOYURBQ-GHTZIAJQSA-N 3 2 348.494 3.377 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808462 252261528 /nfs/dbraw/zinc/26/15/28/252261528.db2.gz NEYFTYFTLYRYLL-YJBOKZPZSA-N 2 2 340.496 3.396 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808462 252261532 /nfs/dbraw/zinc/26/15/32/252261532.db2.gz NEYFTYFTLYRYLL-YJBOKZPZSA-N 2 2 340.496 3.396 10 0 EGAELP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178446971 533022729 /nfs/dbraw/zinc/02/27/29/533022729.db2.gz SQXVUGBROQHGKE-HNAYVOBHSA-N 2 2 337.423 3.265 10 0 EGAELP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328635853 258025370 /nfs/dbraw/zinc/02/53/70/258025370.db2.gz NRZFEMGELVHEKE-WMZOPIPTSA-N 2 2 341.503 3.227 10 0 EGAELP C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328635853 258025371 /nfs/dbraw/zinc/02/53/71/258025371.db2.gz NRZFEMGELVHEKE-WMZOPIPTSA-N 2 2 341.503 3.227 10 0 EGAELP C[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635853 258025373 /nfs/dbraw/zinc/02/53/73/258025373.db2.gz NRZFEMGELVHEKE-WMZOPIPTSA-N 2 2 341.503 3.227 10 0 EGAELP C[NH+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635853 258025375 /nfs/dbraw/zinc/02/53/75/258025375.db2.gz NRZFEMGELVHEKE-WMZOPIPTSA-N 2 2 341.503 3.227 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348061736 141237367 /nfs/dbraw/zinc/23/73/67/141237367.db2.gz JKACCUGNQDEVBL-MOPGFXCFSA-N 3 2 330.520 3.008 10 0 EGAELP CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C(C)C ZINC000348447653 141245972 /nfs/dbraw/zinc/24/59/72/141245972.db2.gz WHBNLECHCQMLBY-RDTXWAMCSA-N 2 2 344.459 3.054 10 0 EGAELP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000356255718 141329609 /nfs/dbraw/zinc/32/96/09/141329609.db2.gz ALHYIWWVPKCLJL-JKSUJKDBSA-N 2 2 349.494 3.198 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000171388908 144002776 /nfs/dbraw/zinc/00/27/76/144002776.db2.gz AMELKMXMCASRHF-UHFFFAOYSA-N 2 2 349.906 3.395 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)CCO1 ZINC000171749667 144010822 /nfs/dbraw/zinc/01/08/22/144010822.db2.gz FGIMOOVYAGLXDD-CQSZACIVSA-N 2 2 340.870 3.207 10 0 EGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCc3c(F)cccc3Cl)CC2)CCO1 ZINC000171749667 144010824 /nfs/dbraw/zinc/01/08/24/144010824.db2.gz FGIMOOVYAGLXDD-CQSZACIVSA-N 2 2 340.870 3.207 10 0 EGAELP Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000172217244 144018191 /nfs/dbraw/zinc/01/81/91/144018191.db2.gz LDZFBPXWOKJGKE-KRWDZBQOSA-N 2 2 337.423 3.103 10 0 EGAELP Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000172217244 144018192 /nfs/dbraw/zinc/01/81/92/144018192.db2.gz LDZFBPXWOKJGKE-KRWDZBQOSA-N 2 2 337.423 3.103 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000351762468 144303425 /nfs/dbraw/zinc/30/34/25/144303425.db2.gz ZAKJHIXGLAGTIJ-OCCSQVGLSA-N 2 2 335.354 3.288 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000351762468 144303426 /nfs/dbraw/zinc/30/34/26/144303426.db2.gz ZAKJHIXGLAGTIJ-OCCSQVGLSA-N 2 2 335.354 3.288 10 0 EGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000189207350 153056779 /nfs/dbraw/zinc/05/67/79/153056779.db2.gz DKWQMLDMSZILQT-QGZVFWFLSA-N 2 2 339.886 3.081 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000192076888 153241215 /nfs/dbraw/zinc/24/12/15/153241215.db2.gz HBHRQRKYMLDNTA-OAQYLSRUSA-N 2 2 349.434 3.460 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000192076888 153241219 /nfs/dbraw/zinc/24/12/19/153241219.db2.gz HBHRQRKYMLDNTA-OAQYLSRUSA-N 2 2 349.434 3.460 10 0 EGAELP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC000310030982 154140337 /nfs/dbraw/zinc/14/03/37/154140337.db2.gz OPEYQIGHKXYQPG-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC000310030982 154140342 /nfs/dbraw/zinc/14/03/42/154140342.db2.gz OPEYQIGHKXYQPG-UHFFFAOYSA-N 2 2 349.837 3.269 10 0 EGAELP c1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337375428 154317327 /nfs/dbraw/zinc/31/73/27/154317327.db2.gz GJXGUMPXYKLYIH-MRXNPFEDSA-N 2 2 335.455 3.247 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000365649529 157204457 /nfs/dbraw/zinc/20/44/57/157204457.db2.gz OKYKFMDOOQZPNK-GOSISDBHSA-N 2 2 335.455 3.045 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000365649529 157204461 /nfs/dbraw/zinc/20/44/61/157204461.db2.gz OKYKFMDOOQZPNK-GOSISDBHSA-N 2 2 335.455 3.045 10 0 EGAELP Cc1cc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc[nH+]1 ZINC000368587889 157230338 /nfs/dbraw/zinc/23/03/38/157230338.db2.gz BSJFJKXECRXAHN-INIZCTEOSA-N 2 2 338.455 3.257 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795198 162112647 /nfs/dbraw/zinc/11/26/47/162112647.db2.gz WJRJBYGDDUSDRQ-UHFFFAOYSA-N 2 2 327.407 3.229 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000128794770 162336300 /nfs/dbraw/zinc/33/63/00/162336300.db2.gz XIOWUFLTNFYGIX-IEBWSBKVSA-N 2 2 337.467 3.007 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000128794770 162336302 /nfs/dbraw/zinc/33/63/02/162336302.db2.gz XIOWUFLTNFYGIX-IEBWSBKVSA-N 2 2 337.467 3.007 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248887893 163042741 /nfs/dbraw/zinc/04/27/41/163042741.db2.gz RJCXQCHJJLJWGG-HOTGVXAUSA-N 2 2 333.476 3.244 10 0 EGAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248887893 163042744 /nfs/dbraw/zinc/04/27/44/163042744.db2.gz RJCXQCHJJLJWGG-HOTGVXAUSA-N 2 2 333.476 3.244 10 0 EGAELP CC[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+](CC)CC ZINC000337162365 163149637 /nfs/dbraw/zinc/14/96/37/163149637.db2.gz VICSYLMDTUFTIK-SJLPKXTDSA-N 2 2 346.519 3.046 10 0 EGAELP CCOc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1F ZINC000343665922 164007727 /nfs/dbraw/zinc/00/77/27/164007727.db2.gz XFVSZAIDOQDEIW-UHFFFAOYSA-N 2 2 329.419 3.250 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](C4CC4)C3)c2cc1C ZINC000344029948 164086520 /nfs/dbraw/zinc/08/65/20/164086520.db2.gz BEFYSXUBICXACE-ROUUACIJSA-N 2 2 327.472 3.136 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](C4CC4)C3)c2cc1C ZINC000344029948 164086523 /nfs/dbraw/zinc/08/65/23/164086523.db2.gz BEFYSXUBICXACE-ROUUACIJSA-N 2 2 327.472 3.136 10 0 EGAELP COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344149146 164114837 /nfs/dbraw/zinc/11/48/37/164114837.db2.gz SNUMQOWISHMQIV-INIZCTEOSA-N 2 2 327.453 3.281 10 0 EGAELP COc1ccc([C@H](Nc2cc[nH+]c(C)c2Cl)c2[nH+]ccn2C)cc1 ZINC000350241493 165021816 /nfs/dbraw/zinc/02/18/16/165021816.db2.gz DLTQFRSBOVNTKI-KRWDZBQOSA-N 2 2 342.830 3.409 10 0 EGAELP Oc1ccc(F)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC000352114052 165242107 /nfs/dbraw/zinc/24/21/07/165242107.db2.gz SBVMDYMEAPSKGR-UHFFFAOYSA-N 2 2 329.350 3.205 10 0 EGAELP Cc1ccc(CCC[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000355150847 166118608 /nfs/dbraw/zinc/11/86/08/166118608.db2.gz LNVQCYMGAWBBEM-QGZVFWFLSA-N 2 2 334.410 3.042 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2C(=O)OC)C1 ZINC000122829538 222167575 /nfs/dbraw/zinc/16/75/75/222167575.db2.gz WPMNOGOBGCKLGS-INIZCTEOSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2C(=O)OC)C1 ZINC000122829538 222167580 /nfs/dbraw/zinc/16/75/80/222167580.db2.gz WPMNOGOBGCKLGS-INIZCTEOSA-N 2 2 327.428 3.069 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123280033 222248129 /nfs/dbraw/zinc/24/81/29/222248129.db2.gz VBRULKOCLCLVAQ-RDJZCZTQSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123280033 222248132 /nfs/dbraw/zinc/24/81/32/222248132.db2.gz VBRULKOCLCLVAQ-RDJZCZTQSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123280033 222248134 /nfs/dbraw/zinc/24/81/34/222248134.db2.gz VBRULKOCLCLVAQ-RDJZCZTQSA-N 2 2 325.456 3.193 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123280033 222248137 /nfs/dbraw/zinc/24/81/37/222248137.db2.gz VBRULKOCLCLVAQ-RDJZCZTQSA-N 2 2 325.456 3.193 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1C ZINC000123705601 222320297 /nfs/dbraw/zinc/32/02/97/222320297.db2.gz POUOXTXXUZZQRG-WBVHZDCISA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1C ZINC000123705601 222320299 /nfs/dbraw/zinc/32/02/99/222320299.db2.gz POUOXTXXUZZQRG-WBVHZDCISA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123705601 222320300 /nfs/dbraw/zinc/32/03/00/222320300.db2.gz POUOXTXXUZZQRG-WBVHZDCISA-N 2 2 328.456 3.324 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123705601 222320302 /nfs/dbraw/zinc/32/03/02/222320302.db2.gz POUOXTXXUZZQRG-WBVHZDCISA-N 2 2 328.456 3.324 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CCc2ccccc2)nc[nH+]1 ZINC000174284760 265040086 /nfs/dbraw/zinc/04/00/86/265040086.db2.gz SVODJPPNEYHDLK-FUHWJXTLSA-N 2 2 339.487 3.098 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193310827 266021568 /nfs/dbraw/zinc/02/15/68/266021568.db2.gz DYACXHZCKVITOO-GOOCMWNKSA-N 2 2 339.277 3.173 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193310827 266021570 /nfs/dbraw/zinc/02/15/70/266021570.db2.gz DYACXHZCKVITOO-GOOCMWNKSA-N 2 2 339.277 3.173 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289384282 276331072 /nfs/dbraw/zinc/33/10/72/276331072.db2.gz LRSQWJFDOYBETD-FPOVZHCZSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289384282 276331073 /nfs/dbraw/zinc/33/10/73/276331073.db2.gz LRSQWJFDOYBETD-FPOVZHCZSA-N 2 2 337.467 3.359 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000289410364 276334763 /nfs/dbraw/zinc/33/47/63/276334763.db2.gz PGSDMMKRQUYGQR-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000289410364 276334764 /nfs/dbraw/zinc/33/47/64/276334764.db2.gz PGSDMMKRQUYGQR-QUCCMNQESA-N 2 2 341.430 3.189 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119475 288103822 /nfs/dbraw/zinc/10/38/22/288103822.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119475 288103823 /nfs/dbraw/zinc/10/38/23/288103823.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248119475 288103826 /nfs/dbraw/zinc/10/38/26/288103826.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248119475 288103827 /nfs/dbraw/zinc/10/38/27/288103827.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 3 2 335.561 3.449 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000181783207 290016145 /nfs/dbraw/zinc/01/61/45/290016145.db2.gz FRZFTCVTGIEWGW-ZLGUVYLKSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000181783207 290016146 /nfs/dbraw/zinc/01/61/46/290016146.db2.gz FRZFTCVTGIEWGW-ZLGUVYLKSA-N 2 2 347.466 3.363 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000127993575 307593598 /nfs/dbraw/zinc/59/35/98/307593598.db2.gz KRBRHOJJJKZKNZ-UHFFFAOYSA-N 2 2 337.467 3.465 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414357075 309075031 /nfs/dbraw/zinc/07/50/31/309075031.db2.gz BBTGKDKLPLLRDW-ZJOUEHCJSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414357075 309075032 /nfs/dbraw/zinc/07/50/32/309075032.db2.gz BBTGKDKLPLLRDW-ZJOUEHCJSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000414379665 309076503 /nfs/dbraw/zinc/07/65/03/309076503.db2.gz JDEHIPLGZUFKCY-UHFFFAOYSA-N 2 2 339.418 3.423 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276996 308021833 /nfs/dbraw/zinc/02/18/33/308021833.db2.gz MGYZPCSLNLWOBZ-YJBOKZPZSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276996 308021835 /nfs/dbraw/zinc/02/18/35/308021835.db2.gz MGYZPCSLNLWOBZ-YJBOKZPZSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276996 308021837 /nfs/dbraw/zinc/02/18/37/308021837.db2.gz MGYZPCSLNLWOBZ-YJBOKZPZSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3F)n2)[C@@H](C)C1 ZINC000249276996 308021839 /nfs/dbraw/zinc/02/18/39/308021839.db2.gz MGYZPCSLNLWOBZ-YJBOKZPZSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985959 308029389 /nfs/dbraw/zinc/02/93/89/308029389.db2.gz ZEPHRXGESWLLSF-OXJNMPFZSA-N 2 2 344.478 3.233 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985959 308029390 /nfs/dbraw/zinc/02/93/90/308029390.db2.gz ZEPHRXGESWLLSF-OXJNMPFZSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985959 308029391 /nfs/dbraw/zinc/02/93/91/308029391.db2.gz ZEPHRXGESWLLSF-OXJNMPFZSA-N 2 2 344.478 3.233 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249985959 308029392 /nfs/dbraw/zinc/02/93/92/308029392.db2.gz ZEPHRXGESWLLSF-OXJNMPFZSA-N 2 2 344.478 3.233 10 0 EGAELP CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414494365 309084254 /nfs/dbraw/zinc/08/42/54/309084254.db2.gz KKEKJXVSZIVFKU-MSOLQXFVSA-N 2 2 325.437 3.336 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](O)C(F)F ZINC000295066036 308287062 /nfs/dbraw/zinc/28/70/62/308287062.db2.gz OURONDRBEXSQEL-HOTGVXAUSA-N 2 2 346.849 3.299 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000295068733 308287649 /nfs/dbraw/zinc/28/76/49/308287649.db2.gz ZVEXDKWEAPYCPP-CZUORRHYSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000295068733 308287651 /nfs/dbraw/zinc/28/76/51/308287651.db2.gz ZVEXDKWEAPYCPP-CZUORRHYSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000295068733 308287653 /nfs/dbraw/zinc/28/76/53/308287653.db2.gz ZVEXDKWEAPYCPP-CZUORRHYSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000295068733 308287654 /nfs/dbraw/zinc/28/76/54/308287654.db2.gz ZVEXDKWEAPYCPP-CZUORRHYSA-N 2 2 338.879 3.289 10 0 EGAELP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295176267 308299884 /nfs/dbraw/zinc/29/98/84/308299884.db2.gz GWTXSBLGAMAOGD-KRWDZBQOSA-N 2 2 326.488 3.261 10 0 EGAELP COc1nccnc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000295204969 308302692 /nfs/dbraw/zinc/30/26/92/308302692.db2.gz PNBSBYAWGIMHLY-UHFFFAOYSA-N 2 2 340.471 3.151 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295854202 308367538 /nfs/dbraw/zinc/36/75/38/308367538.db2.gz BDZDQVCTWNVSOK-HSALFYBXSA-N 2 2 338.499 3.293 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295854202 308367540 /nfs/dbraw/zinc/36/75/40/308367540.db2.gz BDZDQVCTWNVSOK-HSALFYBXSA-N 2 2 338.499 3.293 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414772665 309099942 /nfs/dbraw/zinc/09/99/42/309099942.db2.gz RIMBHSIQCRWYLW-KSSFIOAISA-N 2 2 332.879 3.123 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414772665 309099943 /nfs/dbraw/zinc/09/99/43/309099943.db2.gz RIMBHSIQCRWYLW-KSSFIOAISA-N 2 2 332.879 3.123 10 0 EGAELP FC(F)(F)c1cc[nH+]c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000301831841 308717370 /nfs/dbraw/zinc/71/73/70/308717370.db2.gz SURSWABSOMXCRR-OAHLLOKOSA-N 2 2 343.393 3.182 10 0 EGAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)CCC2 ZINC000328763491 308773861 /nfs/dbraw/zinc/77/38/61/308773861.db2.gz FTBZUZNHZOFLRA-DZGCQCFKSA-N 2 2 332.473 3.167 10 0 EGAELP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000414854494 309105854 /nfs/dbraw/zinc/10/58/54/309105854.db2.gz ZMDSKZWRTGRLKA-HXUWFJFHSA-N 2 2 335.455 3.180 10 0 EGAELP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876672 309106877 /nfs/dbraw/zinc/10/68/77/309106877.db2.gz KTKWBEAQRIQVEP-GHTZIAJQSA-N 3 2 344.547 3.194 10 0 EGAELP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051750 309116593 /nfs/dbraw/zinc/11/65/93/309116593.db2.gz MLPGXWWQAKYJPF-HOCLYGCPSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051750 309116594 /nfs/dbraw/zinc/11/65/94/309116594.db2.gz MLPGXWWQAKYJPF-HOCLYGCPSA-N 2 2 338.879 3.321 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415296639 309130340 /nfs/dbraw/zinc/13/03/40/309130340.db2.gz SPVZWTCTFAMLPW-YOEHRIQHSA-N 2 2 341.459 3.304 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000415941478 309150370 /nfs/dbraw/zinc/15/03/70/309150370.db2.gz GFBTVJHXHITFJM-INIZCTEOSA-N 2 2 327.432 3.278 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372477 309284870 /nfs/dbraw/zinc/28/48/70/309284870.db2.gz MJQYUCDCQWMHAW-LMNJBCLMSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420372477 309284871 /nfs/dbraw/zinc/28/48/71/309284871.db2.gz MJQYUCDCQWMHAW-LMNJBCLMSA-N 2 2 343.515 3.108 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000421351482 309319660 /nfs/dbraw/zinc/31/96/60/309319660.db2.gz ZPXWHKHAXPUWLO-YOEHRIQHSA-N 2 2 346.906 3.382 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421351482 309319661 /nfs/dbraw/zinc/31/96/61/309319661.db2.gz ZPXWHKHAXPUWLO-YOEHRIQHSA-N 2 2 346.906 3.382 10 0 EGAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422705229 309363988 /nfs/dbraw/zinc/36/39/88/309363988.db2.gz BNHCKQITDBSGGU-QZTJIDSGSA-N 2 2 327.403 3.047 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422795045 309368580 /nfs/dbraw/zinc/36/85/80/309368580.db2.gz ZMQWANUWDOYWRM-LEWJYISDSA-N 3 2 345.531 3.200 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422795046 309368648 /nfs/dbraw/zinc/36/86/48/309368648.db2.gz ZMQWANUWDOYWRM-NHCUHLMSSA-N 3 2 345.531 3.200 10 0 EGAELP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422860616 309372476 /nfs/dbraw/zinc/37/24/76/309372476.db2.gz IJUZATQLJUBJFA-ZHALLVOQSA-N 2 2 332.488 3.031 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2nc(C)c(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000422895842 309374905 /nfs/dbraw/zinc/37/49/05/309374905.db2.gz WYMLWRLXGPNYGU-MJGOQNOKSA-N 2 2 345.512 3.394 10 0 EGAELP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422934601 309376820 /nfs/dbraw/zinc/37/68/20/309376820.db2.gz CREWVIMAXYEKHV-UONOGXRCSA-N 2 2 326.444 3.330 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2ccccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998600 309380223 /nfs/dbraw/zinc/38/02/23/309380223.db2.gz QWSNOTKIXROILP-VQTJNVASSA-N 2 2 325.456 3.106 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423016395 309381176 /nfs/dbraw/zinc/38/11/76/309381176.db2.gz MOQGBLNIJCXBNJ-LSDHHAIUSA-N 2 2 348.434 3.373 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423094677 309385820 /nfs/dbraw/zinc/38/58/20/309385820.db2.gz CPDZEXPLHVFOAL-WMQCIHAUSA-N 2 2 346.515 3.267 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423134333 309387720 /nfs/dbraw/zinc/38/77/20/309387720.db2.gz LYTIDWDBTOZVDH-NRSPTQNISA-N 2 2 346.515 3.267 10 0 EGAELP CCCOc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423228858 309391419 /nfs/dbraw/zinc/39/14/19/309391419.db2.gz FNWVXFRTMFPFJY-INIZCTEOSA-N 2 2 340.471 3.453 10 0 EGAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(C)ccc1OC ZINC000423242640 309391977 /nfs/dbraw/zinc/39/19/77/309391977.db2.gz ZDOCDDXFICRJRU-SFHVURJKSA-N 2 2 340.471 3.371 10 0 EGAELP CC(C)(C)c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000429699383 309587676 /nfs/dbraw/zinc/58/76/76/309587676.db2.gz PXELTCMRKAXZGS-UHFFFAOYSA-N 2 2 335.492 3.049 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000449218462 310045496 /nfs/dbraw/zinc/04/54/96/310045496.db2.gz IKHNVZQLYRUPQY-LJQANCHMSA-N 2 2 329.532 3.158 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000449489055 310066321 /nfs/dbraw/zinc/06/63/21/310066321.db2.gz NWHTYXIPPQSYCK-MJGOQNOKSA-N 2 2 334.479 3.253 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449489055 310066322 /nfs/dbraw/zinc/06/63/22/310066322.db2.gz NWHTYXIPPQSYCK-MJGOQNOKSA-N 2 2 334.479 3.253 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000453244421 310266530 /nfs/dbraw/zinc/26/65/30/310266530.db2.gz DNEFXXLVMMQUHZ-ZOCIIQOWSA-N 2 2 345.874 3.300 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCO1 ZINC000453244421 310266531 /nfs/dbraw/zinc/26/65/31/310266531.db2.gz DNEFXXLVMMQUHZ-ZOCIIQOWSA-N 2 2 345.874 3.300 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccsc2S1 ZINC000453275291 310268632 /nfs/dbraw/zinc/26/86/32/310268632.db2.gz WVULGYGDVWKKGG-GUTXKFCHSA-N 2 2 326.531 3.110 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccsc2S1 ZINC000453275291 310268633 /nfs/dbraw/zinc/26/86/33/310268633.db2.gz WVULGYGDVWKKGG-GUTXKFCHSA-N 2 2 326.531 3.110 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)F ZINC000453273724 310268647 /nfs/dbraw/zinc/26/86/47/310268647.db2.gz VTSUSCOSQAOAMH-GOEBONIOSA-N 2 2 342.430 3.176 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccccc1OC(F)F ZINC000453273724 310268648 /nfs/dbraw/zinc/26/86/48/310268648.db2.gz VTSUSCOSQAOAMH-GOEBONIOSA-N 2 2 342.430 3.176 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453346239 310272245 /nfs/dbraw/zinc/27/22/45/310272245.db2.gz BAVDSUHBZZHNCE-SJLPKXTDSA-N 2 2 325.456 3.090 10 0 EGAELP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453346239 310272246 /nfs/dbraw/zinc/27/22/46/310272246.db2.gz BAVDSUHBZZHNCE-SJLPKXTDSA-N 2 2 325.456 3.090 10 0 EGAELP C[C@H]1CCC[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000460505149 310583893 /nfs/dbraw/zinc/58/38/93/310583893.db2.gz SPFCVJCPBBRYLV-RBUKOAKNSA-N 2 2 349.563 3.269 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059351 311162721 /nfs/dbraw/zinc/16/27/21/311162721.db2.gz SNEUYKAXACEQLB-QZTJIDSGSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059351 311162722 /nfs/dbraw/zinc/16/27/22/311162722.db2.gz SNEUYKAXACEQLB-QZTJIDSGSA-N 2 2 337.552 3.268 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510994198 312152669 /nfs/dbraw/zinc/15/26/69/312152669.db2.gz AGRFRZUHPXOYRD-UIFIKXQLSA-N 2 2 341.543 3.359 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510994198 312152670 /nfs/dbraw/zinc/15/26/70/312152670.db2.gz AGRFRZUHPXOYRD-UIFIKXQLSA-N 2 2 341.543 3.359 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000514762332 312243737 /nfs/dbraw/zinc/24/37/37/312243737.db2.gz XXTIQPKIDBSCFG-OLZOCXBDSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000514762332 312243739 /nfs/dbraw/zinc/24/37/39/312243739.db2.gz XXTIQPKIDBSCFG-OLZOCXBDSA-N 2 2 346.862 3.236 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015419 313000164 /nfs/dbraw/zinc/00/01/64/313000164.db2.gz XJTVQKDNTVCXPM-XLIONFOSSA-N 3 2 345.531 3.295 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528363451 313074143 /nfs/dbraw/zinc/07/41/43/313074143.db2.gz FBWMDTASYYVXJQ-GOSISDBHSA-N 2 2 334.479 3.262 10 0 EGAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528363451 313074147 /nfs/dbraw/zinc/07/41/47/313074147.db2.gz FBWMDTASYYVXJQ-GOSISDBHSA-N 2 2 334.479 3.262 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536417 313347801 /nfs/dbraw/zinc/34/78/01/313347801.db2.gz KOVKKKBUTQFXEY-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(F)cc1OC ZINC000529536417 313347803 /nfs/dbraw/zinc/34/78/03/313347803.db2.gz KOVKKKBUTQFXEY-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1OC ZINC000529536417 313347806 /nfs/dbraw/zinc/34/78/06/313347806.db2.gz KOVKKKBUTQFXEY-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1OC ZINC000529536417 313347808 /nfs/dbraw/zinc/34/78/08/313347808.db2.gz KOVKKKBUTQFXEY-PBHICJAKSA-N 2 2 336.451 3.149 10 0 EGAELP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216947 313499025 /nfs/dbraw/zinc/49/90/25/313499025.db2.gz QYQBOROPVOCMIJ-OXJNMPFZSA-N 3 2 345.531 3.472 10 0 EGAELP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217168 313499097 /nfs/dbraw/zinc/49/90/97/313499097.db2.gz FMYZOSKASJHPHZ-LSDHHAIUSA-N 2 2 339.252 3.450 10 0 EGAELP COc1cccc([C@@H]2[C@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000537572854 314189726 /nfs/dbraw/zinc/18/97/26/314189726.db2.gz SJSAEYIFLPPAAI-QZTJIDSGSA-N 2 2 349.438 3.356 10 0 EGAELP COc1cccc([C@@H]2[C@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@H+]2C2CC2)c1 ZINC000537572854 314189729 /nfs/dbraw/zinc/18/97/29/314189729.db2.gz SJSAEYIFLPPAAI-QZTJIDSGSA-N 2 2 349.438 3.356 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049847 314292238 /nfs/dbraw/zinc/29/22/38/314292238.db2.gz SMNNBMFQMFNJRQ-IINYFYTJSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049847 314292241 /nfs/dbraw/zinc/29/22/41/314292241.db2.gz SMNNBMFQMFNJRQ-IINYFYTJSA-N 2 2 331.685 3.185 10 0 EGAELP C[N@H+](Cc1ccccc1NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000564640032 316180125 /nfs/dbraw/zinc/18/01/25/316180125.db2.gz BQNRJRSRQXFQOE-UHFFFAOYSA-N 2 2 326.444 3.286 10 0 EGAELP C[N@@H+](Cc1ccccc1NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000564640032 316180132 /nfs/dbraw/zinc/18/01/32/316180132.db2.gz BQNRJRSRQXFQOE-UHFFFAOYSA-N 2 2 326.444 3.286 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCC1 ZINC000387491845 324272415 /nfs/dbraw/zinc/27/24/15/324272415.db2.gz WMGTVBIGCQIZHX-GUDVDZBRSA-N 2 2 328.500 3.444 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCC1 ZINC000387491845 324272418 /nfs/dbraw/zinc/27/24/18/324272418.db2.gz WMGTVBIGCQIZHX-GUDVDZBRSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659220 455220881 /nfs/dbraw/zinc/22/08/81/455220881.db2.gz MYNOOOWCWUKZQM-ZDUSSCGKSA-N 2 2 335.367 3.366 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000190473039 455326865 /nfs/dbraw/zinc/32/68/65/455326865.db2.gz OBZSSHNDOKKOAZ-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000190473039 455326870 /nfs/dbraw/zinc/32/68/70/455326870.db2.gz OBZSSHNDOKKOAZ-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000190473039 455326874 /nfs/dbraw/zinc/32/68/74/455326874.db2.gz OBZSSHNDOKKOAZ-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000190473039 455326879 /nfs/dbraw/zinc/32/68/79/455326879.db2.gz OBZSSHNDOKKOAZ-MRXNPFEDSA-N 2 2 331.410 3.314 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181453236 455337941 /nfs/dbraw/zinc/33/79/41/455337941.db2.gz FHKVLWVJVZBAJO-SFHVURJKSA-N 2 2 341.455 3.216 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181453236 455337946 /nfs/dbraw/zinc/33/79/46/455337946.db2.gz FHKVLWVJVZBAJO-SFHVURJKSA-N 2 2 341.455 3.216 10 0 EGAELP Cn1cc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495723 460581030 /nfs/dbraw/zinc/58/10/30/460581030.db2.gz PQABDMRVXMNHSO-MSOLQXFVSA-N 2 2 330.451 3.111 10 0 EGAELP Cn1cc([C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000623495723 460581035 /nfs/dbraw/zinc/58/10/35/460581035.db2.gz PQABDMRVXMNHSO-MSOLQXFVSA-N 2 2 330.451 3.111 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631890241 460589941 /nfs/dbraw/zinc/58/99/41/460589941.db2.gz QFQGRVMMAYNKSZ-RHSMWYFYSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631890241 460589947 /nfs/dbraw/zinc/58/99/47/460589947.db2.gz QFQGRVMMAYNKSZ-RHSMWYFYSA-N 2 2 343.496 3.393 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000159120220 455353727 /nfs/dbraw/zinc/35/37/27/455353727.db2.gz BCVJLGJWWSZGHA-VCBZYWHSSA-N 2 2 344.503 3.350 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000159120220 455353732 /nfs/dbraw/zinc/35/37/32/455353732.db2.gz BCVJLGJWWSZGHA-VCBZYWHSSA-N 2 2 344.503 3.350 10 0 EGAELP CC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)OCCCO1 ZINC000190661782 455362280 /nfs/dbraw/zinc/36/22/80/455362280.db2.gz GLXFXIUEABWCOL-UHFFFAOYSA-N 2 2 338.879 3.047 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(Cc2ccccc2)no1 ZINC000084667715 454004610 /nfs/dbraw/zinc/00/46/10/454004610.db2.gz HWSUPGMHPZSYDQ-ZBFHGGJFSA-N 2 2 337.427 3.085 10 0 EGAELP CCOc1cc2c(cc1C[NH2+]C[C@H]1CCCn3cc[nH+]c31)O[C@@H](C)C2 ZINC000084805230 454011284 /nfs/dbraw/zinc/01/12/84/454011284.db2.gz HJPOGPKEYGCBHO-LSDHHAIUSA-N 2 2 341.455 3.272 10 0 EGAELP COc1ccc(OC)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000076901257 454047285 /nfs/dbraw/zinc/04/72/85/454047285.db2.gz GILLZELTIISKOB-UHFFFAOYSA-N 2 2 339.439 3.313 10 0 EGAELP COc1c(C)c[nH+]c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1C ZINC000069585654 454122151 /nfs/dbraw/zinc/12/21/51/454122151.db2.gz UBGOSNLQZQRXJQ-UHFFFAOYSA-N 2 2 328.460 3.122 10 0 EGAELP CC(C)=CC[NH+]1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000089594778 454165020 /nfs/dbraw/zinc/16/50/20/454165020.db2.gz QPABNNVZVREBTK-UHFFFAOYSA-N 3 2 349.563 3.042 10 0 EGAELP c1c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH+]c2ccccn12 ZINC000130586791 454207005 /nfs/dbraw/zinc/20/70/05/454207005.db2.gz GGDLSRFEZFGCME-UHFFFAOYSA-N 3 2 348.494 3.174 10 0 EGAELP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000132204202 454321778 /nfs/dbraw/zinc/32/17/78/454321778.db2.gz BQYWFSKPUKAGOR-UHFFFAOYSA-N 2 2 342.439 3.259 10 0 EGAELP C[C@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000133603484 454444564 /nfs/dbraw/zinc/44/45/64/454444564.db2.gz YYTCJTYRSUNDNQ-SFHVURJKSA-N 3 2 329.532 3.013 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623614419 460642893 /nfs/dbraw/zinc/64/28/93/460642893.db2.gz DXOCQWNNHWKCIR-VQIMIIECSA-N 2 2 329.488 3.400 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000123096446 454601637 /nfs/dbraw/zinc/60/16/37/454601637.db2.gz LBWHMYYDKZUVQX-SFHVURJKSA-N 2 2 346.906 3.385 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623614419 460642894 /nfs/dbraw/zinc/64/28/94/460642894.db2.gz DXOCQWNNHWKCIR-VQIMIIECSA-N 2 2 329.488 3.400 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000123096446 454601641 /nfs/dbraw/zinc/60/16/41/454601641.db2.gz LBWHMYYDKZUVQX-SFHVURJKSA-N 2 2 346.906 3.385 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135056616 454630161 /nfs/dbraw/zinc/63/01/61/454630161.db2.gz RMBQJIRHTLQPNU-SFHVURJKSA-N 2 2 340.471 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135056616 454630166 /nfs/dbraw/zinc/63/01/66/454630166.db2.gz RMBQJIRHTLQPNU-SFHVURJKSA-N 2 2 340.471 3.136 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000135449934 454678520 /nfs/dbraw/zinc/67/85/20/454678520.db2.gz FJAFBPOIJCPKSG-INIZCTEOSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000135449934 454678522 /nfs/dbraw/zinc/67/85/22/454678522.db2.gz FJAFBPOIJCPKSG-INIZCTEOSA-N 2 2 345.418 3.208 10 0 EGAELP c1csc(Cn2cccc2C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000161625566 454708657 /nfs/dbraw/zinc/70/86/57/454708657.db2.gz SHYAPMBMHFIHEM-UHFFFAOYSA-N 2 2 349.463 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182243080 455470036 /nfs/dbraw/zinc/47/00/36/455470036.db2.gz FYIXVRHYLKGDSE-QGZVFWFLSA-N 2 2 329.419 3.495 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182243080 455470040 /nfs/dbraw/zinc/47/00/40/455470040.db2.gz FYIXVRHYLKGDSE-QGZVFWFLSA-N 2 2 329.419 3.495 10 0 EGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178649885 454966650 /nfs/dbraw/zinc/96/66/50/454966650.db2.gz GXHOGYLAJMXJKT-UKRRQHHQSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178649885 454966652 /nfs/dbraw/zinc/96/66/52/454966652.db2.gz GXHOGYLAJMXJKT-UKRRQHHQSA-N 2 2 339.277 3.347 10 0 EGAELP c1ccc(-c2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000114717214 454972776 /nfs/dbraw/zinc/97/27/76/454972776.db2.gz XONVWFNKJNSBHJ-OAHLLOKOSA-N 2 2 335.411 3.066 10 0 EGAELP c1ccc(-c2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000114717214 454972779 /nfs/dbraw/zinc/97/27/79/454972779.db2.gz XONVWFNKJNSBHJ-OAHLLOKOSA-N 2 2 335.411 3.066 10 0 EGAELP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000115613611 455022746 /nfs/dbraw/zinc/02/27/46/455022746.db2.gz NYTWJGFVSLIEJS-KRWDZBQOSA-N 2 2 346.446 3.331 10 0 EGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000180569850 455199122 /nfs/dbraw/zinc/19/91/22/455199122.db2.gz DFGAKRZIVZWYHV-RDJZCZTQSA-N 2 2 325.460 3.146 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157526546 455204082 /nfs/dbraw/zinc/20/40/82/455204082.db2.gz KVQUITDWGJTPSF-BJLQDIEVSA-N 2 2 343.515 3.203 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157526546 455204085 /nfs/dbraw/zinc/20/40/85/455204085.db2.gz KVQUITDWGJTPSF-BJLQDIEVSA-N 2 2 343.515 3.203 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421396 455294207 /nfs/dbraw/zinc/29/42/07/455294207.db2.gz HXTAYRCDDFYERX-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421396 455294209 /nfs/dbraw/zinc/29/42/09/455294209.db2.gz HXTAYRCDDFYERX-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421396 455294210 /nfs/dbraw/zinc/29/42/10/455294210.db2.gz HXTAYRCDDFYERX-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421396 455294212 /nfs/dbraw/zinc/29/42/12/455294212.db2.gz HXTAYRCDDFYERX-AZUAARDMSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442834 455302213 /nfs/dbraw/zinc/30/22/13/455302213.db2.gz WQOOBZASDMYVRL-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442834 455302215 /nfs/dbraw/zinc/30/22/15/455302215.db2.gz WQOOBZASDMYVRL-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442834 455302216 /nfs/dbraw/zinc/30/22/16/455302216.db2.gz WQOOBZASDMYVRL-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442834 455302218 /nfs/dbraw/zinc/30/22/18/455302218.db2.gz WQOOBZASDMYVRL-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000190420568 455313432 /nfs/dbraw/zinc/31/34/32/455313432.db2.gz WFSOHZAHLRSAFM-MJGOQNOKSA-N 2 2 331.504 3.087 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000190472168 455326206 /nfs/dbraw/zinc/32/62/06/455326206.db2.gz ILTIARXMARFLAY-SFHVURJKSA-N 2 2 343.446 3.183 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000190472168 455326209 /nfs/dbraw/zinc/32/62/09/455326209.db2.gz ILTIARXMARFLAY-SFHVURJKSA-N 2 2 343.446 3.183 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1F ZINC000190472168 455326218 /nfs/dbraw/zinc/32/62/18/455326218.db2.gz ILTIARXMARFLAY-SFHVURJKSA-N 2 2 343.446 3.183 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000190485922 455330628 /nfs/dbraw/zinc/33/06/28/455330628.db2.gz GODFCWUBDDHAAR-GOSISDBHSA-N 2 2 327.447 3.217 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000190485922 455330631 /nfs/dbraw/zinc/33/06/31/455330631.db2.gz GODFCWUBDDHAAR-GOSISDBHSA-N 2 2 327.447 3.217 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000190485922 455330635 /nfs/dbraw/zinc/33/06/35/455330635.db2.gz GODFCWUBDDHAAR-GOSISDBHSA-N 2 2 327.447 3.217 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000190485922 455330639 /nfs/dbraw/zinc/33/06/39/455330639.db2.gz GODFCWUBDDHAAR-GOSISDBHSA-N 2 2 327.447 3.217 10 0 EGAELP COCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490338 455332075 /nfs/dbraw/zinc/33/20/75/455332075.db2.gz FMJQLGLMSXEILI-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490338 455332078 /nfs/dbraw/zinc/33/20/78/455332078.db2.gz FMJQLGLMSXEILI-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490338 455332082 /nfs/dbraw/zinc/33/20/82/455332082.db2.gz FMJQLGLMSXEILI-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP COCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490338 455332085 /nfs/dbraw/zinc/33/20/85/455332085.db2.gz FMJQLGLMSXEILI-OAQYLSRUSA-N 2 2 339.483 3.182 10 0 EGAELP C[N@H+](CCCc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752932 455581105 /nfs/dbraw/zinc/58/11/05/455581105.db2.gz BBZHQXXOCCNZIT-UHFFFAOYSA-N 2 2 344.478 3.051 10 0 EGAELP C[N@@H+](CCCc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752932 455581108 /nfs/dbraw/zinc/58/11/08/455581108.db2.gz BBZHQXXOCCNZIT-UHFFFAOYSA-N 2 2 344.478 3.051 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247441203 455600996 /nfs/dbraw/zinc/60/09/96/455600996.db2.gz WVWKAMLDAWESDG-WMZOPIPTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247441203 455600999 /nfs/dbraw/zinc/60/09/99/455600999.db2.gz WVWKAMLDAWESDG-WMZOPIPTSA-N 2 2 326.444 3.022 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)ccc1F ZINC000248124284 455683617 /nfs/dbraw/zinc/68/36/17/455683617.db2.gz NSSOPIPWBOCWSG-DOTOQJQBSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)ccc1F ZINC000248124284 455683621 /nfs/dbraw/zinc/68/36/21/455683621.db2.gz NSSOPIPWBOCWSG-DOTOQJQBSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000248124284 455683627 /nfs/dbraw/zinc/68/36/27/455683627.db2.gz NSSOPIPWBOCWSG-DOTOQJQBSA-N 2 2 344.434 3.100 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000248124284 455683631 /nfs/dbraw/zinc/68/36/31/455683631.db2.gz NSSOPIPWBOCWSG-DOTOQJQBSA-N 2 2 344.434 3.100 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248126866 455684583 /nfs/dbraw/zinc/68/45/83/455684583.db2.gz OAOXNZZUPLSACX-CRAIPNDOSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248126866 455684586 /nfs/dbraw/zinc/68/45/86/455684586.db2.gz OAOXNZZUPLSACX-CRAIPNDOSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248126866 455684591 /nfs/dbraw/zinc/68/45/91/455684591.db2.gz OAOXNZZUPLSACX-CRAIPNDOSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248126866 455684596 /nfs/dbraw/zinc/68/45/96/455684596.db2.gz OAOXNZZUPLSACX-CRAIPNDOSA-N 2 2 329.419 3.397 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000268869624 455715863 /nfs/dbraw/zinc/71/58/63/455715863.db2.gz HIASWPPJHJOUDF-LALPHHSUSA-N 2 2 339.277 3.345 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CC[N@H+]1C ZINC000268869624 455715866 /nfs/dbraw/zinc/71/58/66/455715866.db2.gz HIASWPPJHJOUDF-LALPHHSUSA-N 2 2 339.277 3.345 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728899 460695087 /nfs/dbraw/zinc/69/50/87/460695087.db2.gz FMANSLXKVHLUNX-APWZRJJASA-N 2 2 332.488 3.207 10 0 EGAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728899 460695090 /nfs/dbraw/zinc/69/50/90/460695090.db2.gz FMANSLXKVHLUNX-APWZRJJASA-N 2 2 332.488 3.207 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515751 455975231 /nfs/dbraw/zinc/97/52/31/455975231.db2.gz CMJGVVUWTOUAKU-QGZVFWFLSA-N 2 2 339.439 3.097 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515751 455975237 /nfs/dbraw/zinc/97/52/37/455975237.db2.gz CMJGVVUWTOUAKU-QGZVFWFLSA-N 2 2 339.439 3.097 10 0 EGAELP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261945582 455976053 /nfs/dbraw/zinc/97/60/53/455976053.db2.gz FHYQXWUQZHUBPO-GOSISDBHSA-N 2 2 332.879 3.075 10 0 EGAELP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261945582 455976054 /nfs/dbraw/zinc/97/60/54/455976054.db2.gz FHYQXWUQZHUBPO-GOSISDBHSA-N 2 2 332.879 3.075 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000623786368 460718016 /nfs/dbraw/zinc/71/80/16/460718016.db2.gz LLQNTWQCJQVIMW-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000623786368 460718018 /nfs/dbraw/zinc/71/80/18/460718018.db2.gz LLQNTWQCJQVIMW-NSHDSACASA-N 2 2 349.219 3.234 10 0 EGAELP c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000301816347 456223457 /nfs/dbraw/zinc/22/34/57/456223457.db2.gz HCFHAHHECSEUPZ-SFHVURJKSA-N 2 2 343.519 3.391 10 0 EGAELP c1nc(NCC2CC2)cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000301816347 456223461 /nfs/dbraw/zinc/22/34/61/456223461.db2.gz HCFHAHHECSEUPZ-SFHVURJKSA-N 2 2 343.519 3.391 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529313 456244911 /nfs/dbraw/zinc/24/49/11/456244911.db2.gz NWDGPNREZLKMJE-FXAWDEMLSA-N 3 2 334.467 3.477 10 0 EGAELP Cn1c[nH+]cc1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000297718448 456279422 /nfs/dbraw/zinc/27/94/22/456279422.db2.gz RPAUVUVJPOWUDH-UHFFFAOYSA-N 2 2 328.391 3.123 10 0 EGAELP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282043456 456397914 /nfs/dbraw/zinc/39/79/14/456397914.db2.gz LQVOJUBXJKORTI-CYBMUJFWSA-N 2 2 335.402 3.191 10 0 EGAELP FC(F)n1ccnc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282043456 456397922 /nfs/dbraw/zinc/39/79/22/456397922.db2.gz LQVOJUBXJKORTI-CYBMUJFWSA-N 2 2 335.402 3.191 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048553 456399606 /nfs/dbraw/zinc/39/96/06/456399606.db2.gz LXWNAMCKJFBBGO-LPHOPBHVSA-N 2 2 343.446 3.272 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048553 456399611 /nfs/dbraw/zinc/39/96/11/456399611.db2.gz LXWNAMCKJFBBGO-LPHOPBHVSA-N 2 2 343.446 3.272 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n2c1CCCC2 ZINC000282111910 456416233 /nfs/dbraw/zinc/41/62/33/456416233.db2.gz PZWFZKZLNCEDNF-KRWDZBQOSA-N 2 2 325.456 3.478 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000298346346 456430941 /nfs/dbraw/zinc/43/09/41/456430941.db2.gz BROQMIDOKSQEQQ-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000298346346 456430943 /nfs/dbraw/zinc/43/09/43/456430943.db2.gz BROQMIDOKSQEQQ-AZUAARDMSA-N 2 2 341.430 3.189 10 0 EGAELP COc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340404077 456440124 /nfs/dbraw/zinc/44/01/24/456440124.db2.gz WZMHNDFEUCFDQA-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP COc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340404077 456440134 /nfs/dbraw/zinc/44/01/34/456440134.db2.gz WZMHNDFEUCFDQA-IHWFROFDSA-N 2 2 337.467 3.375 10 0 EGAELP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000348074546 456457102 /nfs/dbraw/zinc/45/71/02/456457102.db2.gz MCRRHZJBZPHQIS-CVEARBPZSA-N 2 2 339.361 3.131 10 0 EGAELP CN(C(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000298494361 456471597 /nfs/dbraw/zinc/47/15/97/456471597.db2.gz JRTIYZRYGNMRDS-PZJWPPBQSA-N 2 2 337.467 3.075 10 0 EGAELP CN(C(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000298494361 456471598 /nfs/dbraw/zinc/47/15/98/456471598.db2.gz JRTIYZRYGNMRDS-PZJWPPBQSA-N 2 2 337.467 3.075 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000353117300 456501515 /nfs/dbraw/zinc/50/15/15/456501515.db2.gz ILMFMRUYMKUSGR-GFCCVEGCSA-N 2 2 329.354 3.100 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000340595939 456557444 /nfs/dbraw/zinc/55/74/44/456557444.db2.gz LLQKLAGZDWNHME-UHFFFAOYSA-N 2 2 334.423 3.367 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320175 462477598 /nfs/dbraw/zinc/47/75/98/462477598.db2.gz PJJCUMRKKJKAFI-IEBWSBKVSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320175 462477602 /nfs/dbraw/zinc/47/76/02/462477602.db2.gz PJJCUMRKKJKAFI-IEBWSBKVSA-N 2 2 338.499 3.373 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265706 456598282 /nfs/dbraw/zinc/59/82/82/456598282.db2.gz AMSZOKLDKYSAGQ-KXBFYZLASA-N 2 2 332.488 3.118 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265706 456598285 /nfs/dbraw/zinc/59/82/85/456598285.db2.gz AMSZOKLDKYSAGQ-KXBFYZLASA-N 2 2 332.488 3.118 10 0 EGAELP c1[nH]nc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc12 ZINC000282770029 456621053 /nfs/dbraw/zinc/62/10/53/456621053.db2.gz POLFNCDGIHMSGC-KRWDZBQOSA-N 2 2 335.455 3.475 10 0 EGAELP c1[nH]nc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc12 ZINC000282770029 456621056 /nfs/dbraw/zinc/62/10/56/456621056.db2.gz POLFNCDGIHMSGC-KRWDZBQOSA-N 2 2 335.455 3.475 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494679 456629791 /nfs/dbraw/zinc/62/97/91/456629791.db2.gz VPVHYTFVLMLSKZ-ZFWWWQNUSA-N 2 2 338.879 3.321 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494679 456629796 /nfs/dbraw/zinc/62/97/96/456629796.db2.gz VPVHYTFVLMLSKZ-ZFWWWQNUSA-N 2 2 338.879 3.321 10 0 EGAELP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000299660178 456758367 /nfs/dbraw/zinc/75/83/67/456758367.db2.gz NHNAKGVYQSMTOR-UHFFFAOYSA-N 2 2 349.482 3.397 10 0 EGAELP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000299660178 456758374 /nfs/dbraw/zinc/75/83/74/456758374.db2.gz NHNAKGVYQSMTOR-UHFFFAOYSA-N 2 2 349.482 3.397 10 0 EGAELP Cc1nc(N2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cc[nH+]1 ZINC000353578772 456776992 /nfs/dbraw/zinc/77/69/92/456776992.db2.gz DYXFIDLROKNCQJ-UHFFFAOYSA-N 2 2 348.450 3.139 10 0 EGAELP Cc1ccc(CCC[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c[nH+]1 ZINC000353613224 456803616 /nfs/dbraw/zinc/80/36/16/456803616.db2.gz DITSLNOLCQSRRW-KRWDZBQOSA-N 2 2 331.504 3.195 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccccc3Br)C2)C1 ZINC000292043935 456838642 /nfs/dbraw/zinc/83/86/42/456838642.db2.gz AWLLHUPUQXGSDZ-QGZVFWFLSA-N 2 2 337.305 3.409 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccccc3Br)C2)C1 ZINC000292043935 456838647 /nfs/dbraw/zinc/83/86/47/456838647.db2.gz AWLLHUPUQXGSDZ-QGZVFWFLSA-N 2 2 337.305 3.409 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccccc3Br)C2)C1 ZINC000292043935 456838652 /nfs/dbraw/zinc/83/86/52/456838652.db2.gz AWLLHUPUQXGSDZ-QGZVFWFLSA-N 2 2 337.305 3.409 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccccc3Br)C2)C1 ZINC000292043935 456838655 /nfs/dbraw/zinc/83/86/55/456838655.db2.gz AWLLHUPUQXGSDZ-QGZVFWFLSA-N 2 2 337.305 3.409 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292140107 456866421 /nfs/dbraw/zinc/86/64/21/456866421.db2.gz MJLQOJVECOOMNH-LJQANCHMSA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292140107 456866423 /nfs/dbraw/zinc/86/64/23/456866423.db2.gz MJLQOJVECOOMNH-LJQANCHMSA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292140107 456866426 /nfs/dbraw/zinc/86/64/26/456866426.db2.gz MJLQOJVECOOMNH-LJQANCHMSA-N 2 2 344.480 3.216 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292140107 456866428 /nfs/dbraw/zinc/86/64/28/456866428.db2.gz MJLQOJVECOOMNH-LJQANCHMSA-N 2 2 344.480 3.216 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292152067 456869937 /nfs/dbraw/zinc/86/99/37/456869937.db2.gz NQCZRIVUJLSKOH-HRAATJIYSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292152067 456869940 /nfs/dbraw/zinc/86/99/40/456869940.db2.gz NQCZRIVUJLSKOH-HRAATJIYSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292152067 456869943 /nfs/dbraw/zinc/86/99/43/456869943.db2.gz NQCZRIVUJLSKOH-HRAATJIYSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292152067 456869945 /nfs/dbraw/zinc/86/99/45/456869945.db2.gz NQCZRIVUJLSKOH-HRAATJIYSA-N 2 2 343.515 3.339 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356054 456950792 /nfs/dbraw/zinc/95/07/92/456950792.db2.gz VHIVALNOETVCSB-WGALQRPISA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356054 456950796 /nfs/dbraw/zinc/95/07/96/456950796.db2.gz VHIVALNOETVCSB-WGALQRPISA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356054 456950799 /nfs/dbraw/zinc/95/07/99/456950799.db2.gz VHIVALNOETVCSB-WGALQRPISA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356054 456950804 /nfs/dbraw/zinc/95/08/04/456950804.db2.gz VHIVALNOETVCSB-WGALQRPISA-N 2 2 343.515 3.146 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000349563168 456987433 /nfs/dbraw/zinc/98/74/33/456987433.db2.gz GXVWGZJOEWXPLS-OXQOHEQNSA-N 2 2 335.455 3.048 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1C ZINC000341973517 457034182 /nfs/dbraw/zinc/03/41/82/457034182.db2.gz QFANFVWHNXAWNK-LJQANCHMSA-N 2 2 339.483 3.066 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1C ZINC000341973517 457034189 /nfs/dbraw/zinc/03/41/89/457034189.db2.gz QFANFVWHNXAWNK-LJQANCHMSA-N 2 2 339.483 3.066 10 0 EGAELP CC[C@@H]1C[C@@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000356912291 457215902 /nfs/dbraw/zinc/21/59/02/457215902.db2.gz FQAOPIHYCXLFSB-ZWKOTPCHSA-N 2 2 346.519 3.236 10 0 EGAELP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000342330064 457241219 /nfs/dbraw/zinc/24/12/19/457241219.db2.gz WOKQCRFXGRURSY-LJQANCHMSA-N 2 2 325.387 3.489 10 0 EGAELP Cn1c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nc2cc(Cl)ccc21 ZINC000374197113 457517961 /nfs/dbraw/zinc/51/79/61/457517961.db2.gz BSACGHQOMRAABS-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP Cn1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc2cc(Cl)ccc21 ZINC000374197113 457517968 /nfs/dbraw/zinc/51/79/68/457517968.db2.gz BSACGHQOMRAABS-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374200075 457519630 /nfs/dbraw/zinc/51/96/30/457519630.db2.gz NSMAUXFJLNPQPU-UHFFFAOYSA-N 2 2 340.471 3.175 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000361023767 457520238 /nfs/dbraw/zinc/52/02/38/457520238.db2.gz ORYIYNBCAVYOAD-KBPBESRZSA-N 2 2 346.393 3.347 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000361023767 457520244 /nfs/dbraw/zinc/52/02/44/457520244.db2.gz ORYIYNBCAVYOAD-KBPBESRZSA-N 2 2 346.393 3.347 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000401148735 457524375 /nfs/dbraw/zinc/52/43/75/457524375.db2.gz OZGDXRJMZOAJLO-DOIPELPJSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000401148735 457524381 /nfs/dbraw/zinc/52/43/81/457524381.db2.gz OZGDXRJMZOAJLO-DOIPELPJSA-N 3 2 327.516 3.019 10 0 EGAELP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374305352 457577775 /nfs/dbraw/zinc/57/77/75/457577775.db2.gz IVOZRWJVJSFXLL-MRXNPFEDSA-N 2 2 333.476 3.132 10 0 EGAELP CCCCOC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374305352 457577778 /nfs/dbraw/zinc/57/77/78/457577778.db2.gz IVOZRWJVJSFXLL-MRXNPFEDSA-N 2 2 333.476 3.132 10 0 EGAELP COc1ncc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1Cl ZINC000370279808 457608750 /nfs/dbraw/zinc/60/87/50/457608750.db2.gz SEECDEHYLNZTHY-LBPRGKRZSA-N 2 2 343.818 3.175 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCO2 ZINC000361164245 457623816 /nfs/dbraw/zinc/62/38/16/457623816.db2.gz PLRUIFMYSRZZTH-LJQANCHMSA-N 2 2 344.499 3.443 10 0 EGAELP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000370619808 457682978 /nfs/dbraw/zinc/68/29/78/457682978.db2.gz GIAQAKFCDWOGCQ-MRXNPFEDSA-N 2 2 333.435 3.053 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000361377541 457711382 /nfs/dbraw/zinc/71/13/82/457711382.db2.gz IRRYKXYZVNSUMO-BEFAXECRSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000361377541 457711385 /nfs/dbraw/zinc/71/13/85/457711385.db2.gz IRRYKXYZVNSUMO-BEFAXECRSA-N 2 2 342.487 3.101 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753840 457835177 /nfs/dbraw/zinc/83/51/77/457835177.db2.gz LHIJXIWLMOXSOM-IHRRRGAJSA-N 2 2 333.867 3.054 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361753840 457835182 /nfs/dbraw/zinc/83/51/82/457835182.db2.gz LHIJXIWLMOXSOM-IHRRRGAJSA-N 2 2 333.867 3.054 10 0 EGAELP CC1=CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876180 /nfs/dbraw/zinc/87/61/80/457876180.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 2 2 327.516 3.281 10 0 EGAELP CC1=CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876188 /nfs/dbraw/zinc/87/61/88/457876188.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 2 2 327.516 3.281 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000411519117 457909614 /nfs/dbraw/zinc/90/96/14/457909614.db2.gz REPMYFMHXUSKAJ-DOTOQJQBSA-N 2 2 345.487 3.001 10 0 EGAELP CCOC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000411519117 457909621 /nfs/dbraw/zinc/90/96/21/457909621.db2.gz REPMYFMHXUSKAJ-DOTOQJQBSA-N 2 2 345.487 3.001 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000368103102 458009644 /nfs/dbraw/zinc/00/96/44/458009644.db2.gz SAKIHOLENMPUKL-IUODEOHRSA-N 2 2 329.469 3.492 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCS2 ZINC000368103102 458009646 /nfs/dbraw/zinc/00/96/46/458009646.db2.gz SAKIHOLENMPUKL-IUODEOHRSA-N 2 2 329.469 3.492 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cn1 ZINC000369297188 458161741 /nfs/dbraw/zinc/16/17/41/458161741.db2.gz CPKKTYXUMHBHKP-UHFFFAOYSA-N 2 2 344.422 3.051 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366565 458345920 /nfs/dbraw/zinc/34/59/20/458345920.db2.gz BEHLCQNDVNKITN-MAUKXSAKSA-N 2 2 340.471 3.011 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366565 458345921 /nfs/dbraw/zinc/34/59/21/458345921.db2.gz BEHLCQNDVNKITN-MAUKXSAKSA-N 2 2 340.471 3.011 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026025 458379462 /nfs/dbraw/zinc/37/94/62/458379462.db2.gz QUHKOOIJGAZTKE-KGWSWXIGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026025 458379464 /nfs/dbraw/zinc/37/94/64/458379464.db2.gz QUHKOOIJGAZTKE-KGWSWXIGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000373026025 458379468 /nfs/dbraw/zinc/37/94/68/458379468.db2.gz QUHKOOIJGAZTKE-KGWSWXIGSA-N 3 2 339.527 3.398 10 0 EGAELP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC000373026025 458379470 /nfs/dbraw/zinc/37/94/70/458379470.db2.gz QUHKOOIJGAZTKE-KGWSWXIGSA-N 3 2 339.527 3.398 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495672 458443025 /nfs/dbraw/zinc/44/30/25/458443025.db2.gz CKHKMIZAKXNOLW-UTKZUKDTSA-N 3 2 329.532 3.189 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423521190 458449968 /nfs/dbraw/zinc/44/99/68/458449968.db2.gz FZOPHZQTXWEQAR-MOPGFXCFSA-N 3 2 329.532 3.394 10 0 EGAELP Cc1cc2ncc([C@@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)c(C)n2n1 ZINC000373524901 458518499 /nfs/dbraw/zinc/51/84/99/458518499.db2.gz VVUAKYFVAOWYSM-ODIFPOPNSA-N 2 2 327.476 3.014 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546244 458525616 /nfs/dbraw/zinc/52/56/16/458525616.db2.gz BMFLIKUJNRBYDJ-YTQUADARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546244 458525621 /nfs/dbraw/zinc/52/56/21/458525621.db2.gz BMFLIKUJNRBYDJ-YTQUADARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546244 458525626 /nfs/dbraw/zinc/52/56/26/458525626.db2.gz BMFLIKUJNRBYDJ-YTQUADARSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000468546244 458525632 /nfs/dbraw/zinc/52/56/32/458525632.db2.gz BMFLIKUJNRBYDJ-YTQUADARSA-N 2 2 330.472 3.067 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000462783686 458653736 /nfs/dbraw/zinc/65/37/36/458653736.db2.gz UFLYQRNKFFNHND-NCYKPQTJSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000462783686 458653745 /nfs/dbraw/zinc/65/37/45/458653745.db2.gz UFLYQRNKFFNHND-NCYKPQTJSA-N 2 2 328.500 3.446 10 0 EGAELP Cc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000439115826 458656620 /nfs/dbraw/zinc/65/66/20/458656620.db2.gz FDEGSJFGWUASJD-OXJNMPFZSA-N 2 2 347.466 3.372 10 0 EGAELP CCc1nnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000439555743 458724125 /nfs/dbraw/zinc/72/41/25/458724125.db2.gz GZKPGEITHQYSSI-HNNXBMFYSA-N 2 2 328.460 3.469 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609609 459061065 /nfs/dbraw/zinc/06/10/65/459061065.db2.gz DUOHKAZSFGMXNK-ZWKOTPCHSA-N 3 2 336.483 3.054 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000577609609 459061069 /nfs/dbraw/zinc/06/10/69/459061069.db2.gz DUOHKAZSFGMXNK-ZWKOTPCHSA-N 3 2 336.483 3.054 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448225 459090255 /nfs/dbraw/zinc/09/02/55/459090255.db2.gz NEEQYKNDTQWHHN-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448225 459090264 /nfs/dbraw/zinc/09/02/64/459090264.db2.gz NEEQYKNDTQWHHN-WFASDCNBSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488280 459098626 /nfs/dbraw/zinc/09/86/26/459098626.db2.gz LTXGXJZUPVICBD-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488280 459098634 /nfs/dbraw/zinc/09/86/34/459098634.db2.gz LTXGXJZUPVICBD-SWLSCSKDSA-N 2 2 325.294 3.266 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000521187811 459127357 /nfs/dbraw/zinc/12/73/57/459127357.db2.gz WUQWRVAZYHJNGK-JTQLQIEISA-N 2 2 346.406 3.459 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000521187811 459127363 /nfs/dbraw/zinc/12/73/63/459127363.db2.gz WUQWRVAZYHJNGK-JTQLQIEISA-N 2 2 346.406 3.459 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567852055 459178026 /nfs/dbraw/zinc/17/80/26/459178026.db2.gz KVFNCXZYPVNZBH-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567852055 459178027 /nfs/dbraw/zinc/17/80/27/459178027.db2.gz KVFNCXZYPVNZBH-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161535 459186355 /nfs/dbraw/zinc/18/63/55/459186355.db2.gz RYAUGVPTRPJUNQ-FPOVZHCZSA-N 3 2 329.532 3.363 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000480161535 459186362 /nfs/dbraw/zinc/18/63/62/459186362.db2.gz RYAUGVPTRPJUNQ-FPOVZHCZSA-N 3 2 329.532 3.363 10 0 EGAELP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000578449478 459203069 /nfs/dbraw/zinc/20/30/69/459203069.db2.gz YSWFXHBPTRELCC-QGZVFWFLSA-N 2 2 337.471 3.430 10 0 EGAELP CC1CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615844 459210194 /nfs/dbraw/zinc/21/01/94/459210194.db2.gz UANUXUCLEMEBHT-CTNGQTDRSA-N 2 2 329.532 3.219 10 0 EGAELP CC1CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615844 459210198 /nfs/dbraw/zinc/21/01/98/459210198.db2.gz UANUXUCLEMEBHT-CTNGQTDRSA-N 2 2 329.532 3.219 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000595042242 459225572 /nfs/dbraw/zinc/22/55/72/459225572.db2.gz DCAMOTRMDICNAU-CQSZACIVSA-N 2 2 331.460 3.143 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534580975 459335723 /nfs/dbraw/zinc/33/57/23/459335723.db2.gz XJFCZLABNIADKF-OAHLLOKOSA-N 2 2 338.411 3.073 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534580975 459335727 /nfs/dbraw/zinc/33/57/27/459335727.db2.gz XJFCZLABNIADKF-OAHLLOKOSA-N 2 2 338.411 3.073 10 0 EGAELP OCC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582904121 459449213 /nfs/dbraw/zinc/44/92/13/459449213.db2.gz BSTOPWMXUSYQPL-RBUKOAKNSA-N 2 2 340.467 3.490 10 0 EGAELP Clc1ccc(-n2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000583812558 459600881 /nfs/dbraw/zinc/60/08/81/459600881.db2.gz KWFMHBIRATWNSI-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP Clc1ccc(-n2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000583812558 459600886 /nfs/dbraw/zinc/60/08/86/459600886.db2.gz KWFMHBIRATWNSI-GOSISDBHSA-N 2 2 330.863 3.101 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000583890229 459613174 /nfs/dbraw/zinc/61/31/74/459613174.db2.gz WOQMXVMEIJAVEJ-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000583890229 459613177 /nfs/dbraw/zinc/61/31/77/459613177.db2.gz WOQMXVMEIJAVEJ-QGZVFWFLSA-N 2 2 336.395 3.093 10 0 EGAELP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090840 459624922 /nfs/dbraw/zinc/62/49/22/459624922.db2.gz MSPQBLURKPAERQ-MRXNPFEDSA-N 2 2 346.368 3.342 10 0 EGAELP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090840 459624927 /nfs/dbraw/zinc/62/49/27/459624927.db2.gz MSPQBLURKPAERQ-MRXNPFEDSA-N 2 2 346.368 3.342 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669797 459692839 /nfs/dbraw/zinc/69/28/39/459692839.db2.gz ZCJMTXHDQHFPCB-KOLCDFICSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@H+]1C ZINC000527669797 459692840 /nfs/dbraw/zinc/69/28/40/459692840.db2.gz ZCJMTXHDQHFPCB-KOLCDFICSA-N 2 2 333.220 3.300 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753991 459727104 /nfs/dbraw/zinc/72/71/04/459727104.db2.gz YETRMIQYPHCUJJ-SFHVURJKSA-N 2 2 325.456 3.437 10 0 EGAELP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527753991 459727110 /nfs/dbraw/zinc/72/71/10/459727110.db2.gz YETRMIQYPHCUJJ-SFHVURJKSA-N 2 2 325.456 3.437 10 0 EGAELP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011401 459795622 /nfs/dbraw/zinc/79/56/22/459795622.db2.gz LCGNTHWYAWQHKP-CTNGQTDRSA-N 2 2 341.499 3.086 10 0 EGAELP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1 ZINC000528011401 459795625 /nfs/dbraw/zinc/79/56/25/459795625.db2.gz LCGNTHWYAWQHKP-CTNGQTDRSA-N 2 2 341.499 3.086 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1C ZINC000597087582 459834339 /nfs/dbraw/zinc/83/43/39/459834339.db2.gz IJUMOIJLMZIIJK-PVAVHDDUSA-N 2 2 333.476 3.203 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1C ZINC000597087582 459834343 /nfs/dbraw/zinc/83/43/43/459834343.db2.gz IJUMOIJLMZIIJK-PVAVHDDUSA-N 2 2 333.476 3.203 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087605 459834586 /nfs/dbraw/zinc/83/45/86/459834586.db2.gz ISTGJVXHCHIOPL-XIRDDKMYSA-N 2 2 345.487 3.304 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000597087605 459834589 /nfs/dbraw/zinc/83/45/89/459834589.db2.gz ISTGJVXHCHIOPL-XIRDDKMYSA-N 2 2 345.487 3.304 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692258 459952829 /nfs/dbraw/zinc/95/28/29/459952829.db2.gz WTDHVZKNHSOBJH-QCSYZSNVSA-N 2 2 330.472 3.096 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692258 459952835 /nfs/dbraw/zinc/95/28/35/459952835.db2.gz WTDHVZKNHSOBJH-QCSYZSNVSA-N 2 2 330.472 3.096 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690840 459971715 /nfs/dbraw/zinc/97/17/15/459971715.db2.gz JINGKJVIDJHZIA-UYAOXDASSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690840 459971721 /nfs/dbraw/zinc/97/17/21/459971721.db2.gz JINGKJVIDJHZIA-UYAOXDASSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690840 459971729 /nfs/dbraw/zinc/97/17/29/459971729.db2.gz JINGKJVIDJHZIA-UYAOXDASSA-N 2 2 326.484 3.481 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690840 459971736 /nfs/dbraw/zinc/97/17/36/459971736.db2.gz JINGKJVIDJHZIA-UYAOXDASSA-N 2 2 326.484 3.481 10 0 EGAELP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)c2C1 ZINC000625167694 460057357 /nfs/dbraw/zinc/05/73/57/460057357.db2.gz WTBDVSNGRUROCD-OAHLLOKOSA-N 2 2 338.455 3.118 10 0 EGAELP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)c2C1 ZINC000625167694 460057366 /nfs/dbraw/zinc/05/73/66/460057366.db2.gz WTBDVSNGRUROCD-OAHLLOKOSA-N 2 2 338.455 3.118 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000625860976 460285941 /nfs/dbraw/zinc/28/59/41/460285941.db2.gz XCQFDZFPUROZBK-DLBZAZTESA-N 2 2 326.400 3.136 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000625876641 460290467 /nfs/dbraw/zinc/29/04/67/460290467.db2.gz WXBXKVUTRIUDGF-BZUAXINKSA-N 2 2 345.491 3.031 10 0 EGAELP COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000599699173 460315384 /nfs/dbraw/zinc/31/53/84/460315384.db2.gz XFCIKLYUUUJWRW-HUUCEWRRSA-N 2 2 327.428 3.034 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603882661 460354056 /nfs/dbraw/zinc/35/40/56/460354056.db2.gz ULBUDLCVSYWSGN-KRWDZBQOSA-N 2 2 334.423 3.185 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603882661 460354059 /nfs/dbraw/zinc/35/40/59/460354059.db2.gz ULBUDLCVSYWSGN-KRWDZBQOSA-N 2 2 334.423 3.185 10 0 EGAELP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000631477856 460399507 /nfs/dbraw/zinc/39/95/07/460399507.db2.gz VQXQHEULIWPZOJ-UHFFFAOYSA-N 2 2 325.460 3.158 10 0 EGAELP CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631661751 460497002 /nfs/dbraw/zinc/49/70/02/460497002.db2.gz VMSAHGDRUWUPAR-MRXNPFEDSA-N 2 2 330.394 3.203 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629393851 460747928 /nfs/dbraw/zinc/74/79/28/460747928.db2.gz CSQMEGORQQRILA-JSGCOSHPSA-N 2 2 326.868 3.368 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n1)C2 ZINC000623868830 460752590 /nfs/dbraw/zinc/75/25/90/460752590.db2.gz IPVQCXHZFCWFHF-QZTJIDSGSA-N 2 2 335.455 3.036 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n1)C2 ZINC000623868830 460752591 /nfs/dbraw/zinc/75/25/91/460752591.db2.gz IPVQCXHZFCWFHF-QZTJIDSGSA-N 2 2 335.455 3.036 10 0 EGAELP [NH3+]C[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)[C@@H]1C(F)(F)F ZINC000629583036 460814053 /nfs/dbraw/zinc/81/40/53/460814053.db2.gz NWOFCQZQURCLSR-HZMBPMFUSA-N 2 2 346.784 3.089 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCc1cn(C)c[nH+]1 ZINC000623998221 460815624 /nfs/dbraw/zinc/81/56/24/460815624.db2.gz KXMAHDYGFLMLHG-SNVBAGLBSA-N 2 2 346.784 3.251 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000629653121 460847244 /nfs/dbraw/zinc/84/72/44/460847244.db2.gz FHMCIRFVTARDAW-LSDHHAIUSA-N 2 2 338.377 3.326 10 0 EGAELP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122081 460869857 /nfs/dbraw/zinc/86/98/57/460869857.db2.gz JHKFEPARPKLMJX-HNAYVOBHSA-N 2 2 328.435 3.027 10 0 EGAELP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122081 460869864 /nfs/dbraw/zinc/86/98/64/460869864.db2.gz JHKFEPARPKLMJX-HNAYVOBHSA-N 2 2 328.435 3.027 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770070 460916110 /nfs/dbraw/zinc/91/61/10/460916110.db2.gz JTMKGVWQHVAPMD-IEBWSBKVSA-N 2 2 342.487 3.107 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635770070 460916116 /nfs/dbraw/zinc/91/61/16/460916116.db2.gz JTMKGVWQHVAPMD-IEBWSBKVSA-N 2 2 342.487 3.107 10 0 EGAELP C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866103 460930604 /nfs/dbraw/zinc/93/06/04/460930604.db2.gz KHGRFTCZLUXEFP-OAHLLOKOSA-N 2 2 326.400 3.090 10 0 EGAELP C[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866103 460930613 /nfs/dbraw/zinc/93/06/13/460930613.db2.gz KHGRFTCZLUXEFP-OAHLLOKOSA-N 2 2 326.400 3.090 10 0 EGAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nc(C(=O)OC)co1 ZINC000601936008 460950643 /nfs/dbraw/zinc/95/06/43/460950643.db2.gz VJHBLZZJCLIFHP-AWEZNQCLSA-N 2 2 345.443 3.154 10 0 EGAELP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662244570 461140310 /nfs/dbraw/zinc/14/03/10/461140310.db2.gz DPSDQRYCVDTHIK-VIFPVBQESA-N 2 2 332.673 3.057 10 0 EGAELP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662256069 461144990 /nfs/dbraw/zinc/14/49/90/461144990.db2.gz JNDUYDUMLRWULH-APWZRJJASA-N 2 2 340.467 3.343 10 0 EGAELP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662256069 461145002 /nfs/dbraw/zinc/14/50/02/461145002.db2.gz JNDUYDUMLRWULH-APWZRJJASA-N 2 2 340.467 3.343 10 0 EGAELP CCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000662253092 461145032 /nfs/dbraw/zinc/14/50/32/461145032.db2.gz VAGFMZIBLVEOSU-KBPBESRZSA-N 2 2 341.293 3.211 10 0 EGAELP CCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000662253092 461145042 /nfs/dbraw/zinc/14/50/42/461145042.db2.gz VAGFMZIBLVEOSU-KBPBESRZSA-N 2 2 341.293 3.211 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353360 461147474 /nfs/dbraw/zinc/14/74/74/461147474.db2.gz BLVBQNHGLTTWHJ-QAPCUYQASA-N 2 2 331.504 3.199 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353360 461147485 /nfs/dbraw/zinc/14/74/85/461147485.db2.gz BLVBQNHGLTTWHJ-QAPCUYQASA-N 2 2 331.504 3.199 10 0 EGAELP C[C@@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@H]1CC[NH3+] ZINC000652355815 461151234 /nfs/dbraw/zinc/15/12/34/461151234.db2.gz ISQFNZYRJDXZMD-OCCSQVGLSA-N 2 2 340.427 3.031 10 0 EGAELP C[C@@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@H]1CC[NH3+] ZINC000652355815 461151242 /nfs/dbraw/zinc/15/12/42/461151242.db2.gz ISQFNZYRJDXZMD-OCCSQVGLSA-N 2 2 340.427 3.031 10 0 EGAELP [NH3+][C@H]1CCc2ccccc2N(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000662302791 461179834 /nfs/dbraw/zinc/17/98/34/461179834.db2.gz PCCIEJFBSDEAOE-IBGZPJMESA-N 2 2 332.451 3.212 10 0 EGAELP [NH3+]C[C@H]1CCc2ccccc2N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000662305806 461181244 /nfs/dbraw/zinc/18/12/44/461181244.db2.gz VXBAJEBULSWVCC-MRXNPFEDSA-N 2 2 326.831 3.268 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000662322793 461192735 /nfs/dbraw/zinc/19/27/35/461192735.db2.gz IOIVOBBPORSSDU-QGZVFWFLSA-N 2 2 345.512 3.353 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000662322793 461192742 /nfs/dbraw/zinc/19/27/42/461192742.db2.gz IOIVOBBPORSSDU-QGZVFWFLSA-N 2 2 345.512 3.353 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000668432647 461279587 /nfs/dbraw/zinc/27/95/87/461279587.db2.gz WASHMHHBYHZJCB-WMZOPIPTSA-N 2 2 334.504 3.105 10 0 EGAELP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000668432647 461279596 /nfs/dbraw/zinc/27/95/96/461279596.db2.gz WASHMHHBYHZJCB-WMZOPIPTSA-N 2 2 334.504 3.105 10 0 EGAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630794280 461320763 /nfs/dbraw/zinc/32/07/63/461320763.db2.gz LMKIUEBJPXLMAB-QGZVFWFLSA-N 2 2 342.487 3.042 10 0 EGAELP [NH3+]C1(CC(=O)Nc2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)CC1 ZINC000662686887 461347934 /nfs/dbraw/zinc/34/79/34/461347934.db2.gz BMMCRPOWGJGXKA-UHFFFAOYSA-N 2 2 338.386 3.113 10 0 EGAELP FC(F)Oc1ccc(Br)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000655753830 461420340 /nfs/dbraw/zinc/42/03/40/461420340.db2.gz GOKOVSXGKRNTCT-UHFFFAOYSA-N 2 2 349.219 3.236 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CCO1 ZINC000668785515 461434171 /nfs/dbraw/zinc/43/41/71/461434171.db2.gz QZYPWFDPXZOAHZ-HNNXBMFYSA-N 2 2 337.851 3.024 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CCO1 ZINC000668785515 461434176 /nfs/dbraw/zinc/43/41/76/461434176.db2.gz QZYPWFDPXZOAHZ-HNNXBMFYSA-N 2 2 337.851 3.024 10 0 EGAELP Fc1cc(F)c2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655772467 461437513 /nfs/dbraw/zinc/43/75/13/461437513.db2.gz WTQZPMUBZIDSEW-BEFAXECRSA-N 2 2 336.426 3.185 10 0 EGAELP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@](C)(C(F)F)O1 ZINC000668822754 461454234 /nfs/dbraw/zinc/45/42/34/461454234.db2.gz ZWQBQULMIPWAJM-IAQYHMDHSA-N 2 2 327.400 3.178 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@](C)(C(F)F)O1 ZINC000668822754 461454241 /nfs/dbraw/zinc/45/42/41/461454241.db2.gz ZWQBQULMIPWAJM-IAQYHMDHSA-N 2 2 327.400 3.178 10 0 EGAELP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208273 461469823 /nfs/dbraw/zinc/46/98/23/461469823.db2.gz VPWLCIPMYOHEOE-MLGOLLRUSA-N 2 2 339.418 3.171 10 0 EGAELP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642208273 461469833 /nfs/dbraw/zinc/46/98/33/461469833.db2.gz VPWLCIPMYOHEOE-MLGOLLRUSA-N 2 2 339.418 3.171 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631045312 461498703 /nfs/dbraw/zinc/49/87/03/461498703.db2.gz VECWKYYKRARLQF-NWDGAFQWSA-N 2 2 344.684 3.214 10 0 EGAELP Clc1cc(Br)cnc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631045312 461498716 /nfs/dbraw/zinc/49/87/16/461498716.db2.gz VECWKYYKRARLQF-NWDGAFQWSA-N 2 2 344.684 3.214 10 0 EGAELP CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000650026445 461524211 /nfs/dbraw/zinc/52/42/11/461524211.db2.gz HXBIIVSFOTZVFQ-UHFFFAOYSA-N 2 2 343.475 3.187 10 0 EGAELP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000650026445 461524220 /nfs/dbraw/zinc/52/42/20/461524220.db2.gz HXBIIVSFOTZVFQ-UHFFFAOYSA-N 2 2 343.475 3.187 10 0 EGAELP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000631081130 461529657 /nfs/dbraw/zinc/52/96/57/461529657.db2.gz IZMUJWLKRHVSPW-OAHLLOKOSA-N 2 2 335.455 3.335 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012780 461545399 /nfs/dbraw/zinc/54/53/99/461545399.db2.gz UIDDOTJEOKSZLW-DOMZBBRYSA-N 2 2 328.378 3.343 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012780 461545406 /nfs/dbraw/zinc/54/54/06/461545406.db2.gz UIDDOTJEOKSZLW-DOMZBBRYSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012780 461545415 /nfs/dbraw/zinc/54/54/15/461545415.db2.gz UIDDOTJEOKSZLW-DOMZBBRYSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)CC[C@@H]21 ZINC000660012780 461545422 /nfs/dbraw/zinc/54/54/22/461545422.db2.gz UIDDOTJEOKSZLW-DOMZBBRYSA-N 2 2 328.378 3.343 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)c1C ZINC000656037406 461569005 /nfs/dbraw/zinc/56/90/05/461569005.db2.gz DGEDKQNNLFKKCY-OKILXGFUSA-N 2 2 331.464 3.279 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1C ZINC000656037406 461569016 /nfs/dbraw/zinc/56/90/16/461569016.db2.gz DGEDKQNNLFKKCY-OKILXGFUSA-N 2 2 331.464 3.279 10 0 EGAELP Cc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc(-c2ccncc2)[nH+]1 ZINC000643044262 461596139 /nfs/dbraw/zinc/59/61/39/461596139.db2.gz PRTHSVQMKDZOFP-MSOLQXFVSA-N 2 2 337.471 3.063 10 0 EGAELP OC[C@]1([NH2+]C2CCC(F)(F)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000647296652 461618437 /nfs/dbraw/zinc/61/84/37/461618437.db2.gz RHMQSKWRRPWJPM-SFHVURJKSA-N 2 2 338.442 3.181 10 0 EGAELP OC[C@]1([NH2+]C2CCC(F)(F)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000647296652 461618445 /nfs/dbraw/zinc/61/84/45/461618445.db2.gz RHMQSKWRRPWJPM-SFHVURJKSA-N 2 2 338.442 3.181 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302054 461622713 /nfs/dbraw/zinc/62/27/13/461622713.db2.gz QTKIZJDONSGWLP-PKOBYXMFSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647302054 461622719 /nfs/dbraw/zinc/62/27/19/461622719.db2.gz QTKIZJDONSGWLP-PKOBYXMFSA-N 2 2 338.499 3.392 10 0 EGAELP c1ccc(-n2nnc(C[NH2+]CCCNc3cccc[nH+]3)c2C2CC2)cc1 ZINC000638873878 461634437 /nfs/dbraw/zinc/63/44/37/461634437.db2.gz MQIKHEJFCJEURP-UHFFFAOYSA-N 2 2 348.454 3.132 10 0 EGAELP FC(F)(F)c1cc(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663497895 461672557 /nfs/dbraw/zinc/67/25/57/461672557.db2.gz LJNWEJBCUCORRN-UHFFFAOYSA-N 2 2 349.194 3.310 10 0 EGAELP Cc1ccc(-n2cc(C[NH2+]CC34CC(C3)C[NH2+]4)c(C(C)(C)C)n2)cc1 ZINC000663499014 461673310 /nfs/dbraw/zinc/67/33/10/461673310.db2.gz UNZNFTAKTAKEGV-UHFFFAOYSA-N 2 2 338.499 3.320 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253848 461677131 /nfs/dbraw/zinc/67/71/31/461677131.db2.gz YINJTJAJDPHCJT-RHSMWYFYSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253848 461677137 /nfs/dbraw/zinc/67/71/37/461677137.db2.gz YINJTJAJDPHCJT-RHSMWYFYSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253848 461677139 /nfs/dbraw/zinc/67/71/39/461677139.db2.gz YINJTJAJDPHCJT-RHSMWYFYSA-N 2 2 330.451 3.234 10 0 EGAELP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253848 461677146 /nfs/dbraw/zinc/67/71/46/461677146.db2.gz YINJTJAJDPHCJT-RHSMWYFYSA-N 2 2 330.451 3.234 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480334 461727544 /nfs/dbraw/zinc/72/75/44/461727544.db2.gz JXOGCWBXDKJJLI-LRDDRELGSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480334 461727550 /nfs/dbraw/zinc/72/75/50/461727550.db2.gz JXOGCWBXDKJJLI-LRDDRELGSA-N 2 2 339.277 3.119 10 0 EGAELP c1cc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)ccn1 ZINC000647554388 461764800 /nfs/dbraw/zinc/76/48/00/461764800.db2.gz YNNNPCWOESAIJR-FQEVSTJZSA-N 2 2 337.467 3.425 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000669901589 461832443 /nfs/dbraw/zinc/83/24/43/461832443.db2.gz DUUCCESYJGVVGC-MRXNPFEDSA-N 2 2 339.439 3.478 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000669901589 461832450 /nfs/dbraw/zinc/83/24/50/461832450.db2.gz DUUCCESYJGVVGC-MRXNPFEDSA-N 2 2 339.439 3.478 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000656701872 461849059 /nfs/dbraw/zinc/84/90/59/461849059.db2.gz FBJZDSIXNCLOMD-OALUTQOASA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000656701872 461849063 /nfs/dbraw/zinc/84/90/63/461849063.db2.gz FBJZDSIXNCLOMD-OALUTQOASA-N 2 2 342.483 3.042 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647899623 461873983 /nfs/dbraw/zinc/87/39/83/461873983.db2.gz QVUZQFUYXHACRU-GBESFXJTSA-N 2 2 343.515 3.403 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647899623 461873993 /nfs/dbraw/zinc/87/39/93/461873993.db2.gz QVUZQFUYXHACRU-GBESFXJTSA-N 2 2 343.515 3.403 10 0 EGAELP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903691 461878403 /nfs/dbraw/zinc/87/84/03/461878403.db2.gz OILWGKXZLGTXEB-HZPDHXFCSA-N 2 2 335.517 3.076 10 0 EGAELP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1C ZINC000647903691 461878406 /nfs/dbraw/zinc/87/84/06/461878406.db2.gz OILWGKXZLGTXEB-HZPDHXFCSA-N 2 2 335.517 3.076 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccsc2)cc1 ZINC000656790472 461901574 /nfs/dbraw/zinc/90/15/74/461901574.db2.gz URYLPGNGIQESBQ-JVPBZIDWSA-N 2 2 330.497 3.423 10 0 EGAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970156 461914449 /nfs/dbraw/zinc/91/44/49/461914449.db2.gz FPDXKEXUJOSGJE-UZLBHIALSA-N 2 2 327.472 3.100 10 0 EGAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000647970156 461914455 /nfs/dbraw/zinc/91/44/55/461914455.db2.gz FPDXKEXUJOSGJE-UZLBHIALSA-N 2 2 327.472 3.100 10 0 EGAELP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657298404 462026927 /nfs/dbraw/zinc/02/69/27/462026927.db2.gz TULOIBSYSIFRKA-UHFFFAOYSA-N 2 2 327.476 3.135 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000657418689 462111053 /nfs/dbraw/zinc/11/10/53/462111053.db2.gz RDWVUEGHWZQQIS-FUHWJXTLSA-N 2 2 330.863 3.018 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667501606 462115812 /nfs/dbraw/zinc/11/58/12/462115812.db2.gz CLYQKKNYBNXRCP-OAHLLOKOSA-N 2 2 344.890 3.362 10 0 EGAELP c1cn(-c2csc(C[NH2+]Cc3cccnc3N3CCCC3)c2)c[nH+]1 ZINC000657569913 462185129 /nfs/dbraw/zinc/18/51/29/462185129.db2.gz OTIJKCUOEJAFCU-UHFFFAOYSA-N 2 2 339.468 3.219 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000657619795 462206715 /nfs/dbraw/zinc/20/67/15/462206715.db2.gz UKRDLGOBSVOISF-INIZCTEOSA-N 2 2 344.833 3.318 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000657833731 462288389 /nfs/dbraw/zinc/28/83/89/462288389.db2.gz OPLGYWJEPMRDAY-VQTJNVASSA-N 2 2 340.552 3.308 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000657833729 462288788 /nfs/dbraw/zinc/28/87/88/462288788.db2.gz OPLGYWJEPMRDAY-UXHICEINSA-N 2 2 340.552 3.308 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055804 462358720 /nfs/dbraw/zinc/35/87/20/462358720.db2.gz JLYBURXYMLCAOP-CJNGLKHVSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055804 462358728 /nfs/dbraw/zinc/35/87/28/462358728.db2.gz JLYBURXYMLCAOP-CJNGLKHVSA-N 2 2 333.476 3.177 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055431 462359336 /nfs/dbraw/zinc/35/93/36/462359336.db2.gz IWHOMYIVNNOSFY-KDOFPFPSSA-N 2 2 344.503 3.494 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055431 462359341 /nfs/dbraw/zinc/35/93/41/462359341.db2.gz IWHOMYIVNNOSFY-KDOFPFPSSA-N 2 2 344.503 3.494 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055805 462359968 /nfs/dbraw/zinc/35/99/68/462359968.db2.gz JLYBURXYMLCAOP-CZUORRHYSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1NC(C)=O ZINC000658055805 462359973 /nfs/dbraw/zinc/35/99/73/462359973.db2.gz JLYBURXYMLCAOP-CZUORRHYSA-N 2 2 333.476 3.177 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC3 ZINC000658055393 462360137 /nfs/dbraw/zinc/36/01/37/462360137.db2.gz IFKBENGOWZNCRM-CABCVRRESA-N 2 2 341.499 3.496 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC3 ZINC000658055393 462360144 /nfs/dbraw/zinc/36/01/44/462360144.db2.gz IFKBENGOWZNCRM-CABCVRRESA-N 2 2 341.499 3.496 10 0 EGAELP CC[N@H+](CCC[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000645811042 462434131 /nfs/dbraw/zinc/43/41/31/462434131.db2.gz SGPPEJNWGJUMNH-LJQANCHMSA-N 2 2 331.504 3.437 10 0 EGAELP CC[N@@H+](CCC[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000645811042 462434133 /nfs/dbraw/zinc/43/41/33/462434133.db2.gz SGPPEJNWGJUMNH-LJQANCHMSA-N 2 2 331.504 3.437 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317072 462473401 /nfs/dbraw/zinc/47/34/01/462473401.db2.gz JAMWEDRSXHBMIJ-HKUYNNGSSA-N 2 2 338.499 3.373 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658317072 462473406 /nfs/dbraw/zinc/47/34/06/462473406.db2.gz JAMWEDRSXHBMIJ-HKUYNNGSSA-N 2 2 338.499 3.373 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000649414990 462503652 /nfs/dbraw/zinc/50/36/52/462503652.db2.gz CXCDMYWCKKHUJZ-PBHICJAKSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000649414990 462503654 /nfs/dbraw/zinc/50/36/54/462503654.db2.gz CXCDMYWCKKHUJZ-PBHICJAKSA-N 2 2 329.419 3.445 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662140456 462530825 /nfs/dbraw/zinc/53/08/25/462530825.db2.gz DQVIYCXQKKBDOO-UZLBHIALSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662140456 462530826 /nfs/dbraw/zinc/53/08/26/462530826.db2.gz DQVIYCXQKKBDOO-UZLBHIALSA-N 2 2 329.488 3.465 10 0 EGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000191443085 528842073 /nfs/dbraw/zinc/84/20/73/528842073.db2.gz FRLUYPNKNAHAHK-WMZOPIPTSA-N 2 2 327.476 3.206 10 0 EGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000191443085 528842076 /nfs/dbraw/zinc/84/20/76/528842076.db2.gz FRLUYPNKNAHAHK-WMZOPIPTSA-N 2 2 327.476 3.206 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000132879924 529224423 /nfs/dbraw/zinc/22/44/23/529224423.db2.gz WYZNBEWGOXNMKH-ZIAGYGMSSA-N 2 2 347.488 3.213 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000132879924 529224425 /nfs/dbraw/zinc/22/44/25/529224425.db2.gz WYZNBEWGOXNMKH-ZIAGYGMSSA-N 2 2 347.488 3.213 10 0 EGAELP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000359629863 535004280 /nfs/dbraw/zinc/00/42/80/535004280.db2.gz GWSFCLFCGYUDFX-AWEZNQCLSA-N 2 2 335.883 3.302 10 0 EGAELP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000359629863 535004285 /nfs/dbraw/zinc/00/42/85/535004285.db2.gz GWSFCLFCGYUDFX-AWEZNQCLSA-N 2 2 335.883 3.302 10 0 EGAELP CCSCC[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000355736493 535684814 /nfs/dbraw/zinc/68/48/14/535684814.db2.gz AFZBIGSZQWFSNN-UHFFFAOYSA-N 2 2 326.510 3.023 10 0 EGAELP COc1cc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)n1 ZINC000348175896 536576819 /nfs/dbraw/zinc/57/68/19/536576819.db2.gz SVMSKCUIYRNQLD-UHFFFAOYSA-N 2 2 336.439 3.242 10 0 EGAELP CCc1nn(C)cc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121795271 546728986 /nfs/dbraw/zinc/72/89/86/546728986.db2.gz RSNOIULHZBSQBV-HXUWFJFHSA-N 2 2 326.488 3.127 10 0 EGAELP CCc1nn(C)cc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121795271 546728990 /nfs/dbraw/zinc/72/89/90/546728990.db2.gz RSNOIULHZBSQBV-HXUWFJFHSA-N 2 2 326.488 3.127 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000188420119 547148511 /nfs/dbraw/zinc/14/85/11/547148511.db2.gz IVDWTYRPBYWDKQ-ZDUSSCGKSA-N 2 2 325.334 3.288 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879593 548820871 /nfs/dbraw/zinc/82/08/71/548820871.db2.gz UJPJEKVMTOPRGW-GCHJQGSQSA-N 2 2 332.332 3.436 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674879593 548820873 /nfs/dbraw/zinc/82/08/73/548820873.db2.gz UJPJEKVMTOPRGW-GCHJQGSQSA-N 2 2 332.332 3.436 10 0 EGAELP COc1cccc(F)c1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880612 548995934 /nfs/dbraw/zinc/99/59/34/548995934.db2.gz GKZIDCOMVUHMNV-HOCLYGCPSA-N 2 2 336.451 3.128 10 0 EGAELP Cc1cccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000675898422 549000762 /nfs/dbraw/zinc/00/07/62/549000762.db2.gz NVUOWQLMTOGVRX-PZJWPPBQSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000675898422 549000764 /nfs/dbraw/zinc/00/07/64/549000764.db2.gz NVUOWQLMTOGVRX-PZJWPPBQSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)n1 ZINC000675898422 549000768 /nfs/dbraw/zinc/00/07/68/549000768.db2.gz NVUOWQLMTOGVRX-PZJWPPBQSA-N 2 2 339.483 3.020 10 0 EGAELP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)n1 ZINC000675898422 549000771 /nfs/dbraw/zinc/00/07/71/549000771.db2.gz NVUOWQLMTOGVRX-PZJWPPBQSA-N 2 2 339.483 3.020 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000676680147 549128144 /nfs/dbraw/zinc/12/81/44/549128144.db2.gz AHHFJGOGAIQCIU-FQEVSTJZSA-N 2 2 342.458 3.287 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000676680147 549128148 /nfs/dbraw/zinc/12/81/48/549128148.db2.gz AHHFJGOGAIQCIU-FQEVSTJZSA-N 2 2 342.458 3.287 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893044 549175327 /nfs/dbraw/zinc/17/53/27/549175327.db2.gz BHAJCARIKYRKHC-HZPDHXFCSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893044 549175331 /nfs/dbraw/zinc/17/53/31/549175331.db2.gz BHAJCARIKYRKHC-HZPDHXFCSA-N 2 2 344.421 3.071 10 0 EGAELP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccncc4)s3)C2)c[nH+]1 ZINC000678235587 549435331 /nfs/dbraw/zinc/43/53/31/549435331.db2.gz WQQLVMHAICOAIW-OAHLLOKOSA-N 2 2 325.441 3.239 10 0 EGAELP c1cn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)c[nH+]1 ZINC000678235587 549435335 /nfs/dbraw/zinc/43/53/35/549435335.db2.gz WQQLVMHAICOAIW-OAHLLOKOSA-N 2 2 325.441 3.239 10 0 EGAELP Cc1nc([C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cs1 ZINC000678586883 549525132 /nfs/dbraw/zinc/52/51/32/549525132.db2.gz LQQWGBIJYCTOJJ-HIFRSBDPSA-N 2 2 344.484 3.130 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CCC23CCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000682733578 550137804 /nfs/dbraw/zinc/13/78/04/550137804.db2.gz RHBDUYGHKUNYQU-CTNGQTDRSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@]1([NH2+][C@@H]2CCC23CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682733578 550137807 /nfs/dbraw/zinc/13/78/07/550137807.db2.gz RHBDUYGHKUNYQU-CTNGQTDRSA-N 2 2 328.500 3.326 10 0 EGAELP Fc1cccn2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)nc12 ZINC000684410373 550326790 /nfs/dbraw/zinc/32/67/90/550326790.db2.gz SKZUORJHHKJUJK-QGZVFWFLSA-N 2 2 338.430 3.085 10 0 EGAELP Fc1cccn2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000684410373 550326792 /nfs/dbraw/zinc/32/67/92/550326792.db2.gz SKZUORJHHKJUJK-QGZVFWFLSA-N 2 2 338.430 3.085 10 0 EGAELP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393543 576778639 /nfs/dbraw/zinc/77/86/39/576778639.db2.gz YKZOVPHDVRJZSI-INIZCTEOSA-N 2 2 344.422 3.304 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000185059804 1295238686 /nfs/dbraw/zinc/23/86/86/1295238686.db2.gz KWOVQJCKYYYFBT-QWRGUYRKSA-N 2 2 345.256 3.286 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000185059804 1295238691 /nfs/dbraw/zinc/23/86/91/1295238691.db2.gz KWOVQJCKYYYFBT-QWRGUYRKSA-N 2 2 345.256 3.286 10 0 EGAELP O=C(CCC12CC(C1)C[NH2+]2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000870909180 1296136983 /nfs/dbraw/zinc/13/69/83/1296136983.db2.gz BKRIKZRVELKRRY-UHFFFAOYSA-N 2 2 348.450 3.073 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633418 1297536497 /nfs/dbraw/zinc/53/64/97/1297536497.db2.gz UJPHYPFJMYMGDM-SJLPKXTDSA-N 2 2 325.456 3.233 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633418 1297536500 /nfs/dbraw/zinc/53/65/00/1297536500.db2.gz UJPHYPFJMYMGDM-SJLPKXTDSA-N 2 2 325.456 3.233 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633416 1297537030 /nfs/dbraw/zinc/53/70/30/1297537030.db2.gz UJPHYPFJMYMGDM-FUHWJXTLSA-N 2 2 325.456 3.233 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633416 1297537040 /nfs/dbraw/zinc/53/70/40/1297537040.db2.gz UJPHYPFJMYMGDM-FUHWJXTLSA-N 2 2 325.456 3.233 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398084638 1297713447 /nfs/dbraw/zinc/71/34/47/1297713447.db2.gz HTKQUKOFWGHIBA-KXBFYZLASA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398084638 1297713456 /nfs/dbraw/zinc/71/34/56/1297713456.db2.gz HTKQUKOFWGHIBA-KXBFYZLASA-N 2 2 342.439 3.066 10 0 EGAELP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000702639904 1298195621 /nfs/dbraw/zinc/19/56/21/1298195621.db2.gz GGRCMDOOZOSCRG-HXUWFJFHSA-N 2 2 344.886 3.375 10 0 EGAELP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000702639904 1298195626 /nfs/dbraw/zinc/19/56/26/1298195626.db2.gz GGRCMDOOZOSCRG-HXUWFJFHSA-N 2 2 344.886 3.375 10 0 EGAELP Nc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000705888019 1298216762 /nfs/dbraw/zinc/21/67/62/1298216762.db2.gz NTNPSVNTELTTTQ-ROUUACIJSA-N 2 2 341.886 3.486 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000877056146 1299136732 /nfs/dbraw/zinc/13/67/32/1299136732.db2.gz ZQOAXYLLDMCCEA-CXAGYDPISA-N 2 2 349.475 3.464 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000877056146 1299136735 /nfs/dbraw/zinc/13/67/35/1299136735.db2.gz ZQOAXYLLDMCCEA-CXAGYDPISA-N 2 2 349.475 3.464 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345834 1299932923 /nfs/dbraw/zinc/93/29/23/1299932923.db2.gz YAZVMHZDJURCHC-APWZRJJASA-N 2 2 341.455 3.251 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000878491781 1300033440 /nfs/dbraw/zinc/03/34/40/1300033440.db2.gz SRIPGEIWGFQIAI-LMMKCTJWSA-N 2 2 345.531 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000878491781 1300033450 /nfs/dbraw/zinc/03/34/50/1300033450.db2.gz SRIPGEIWGFQIAI-LMMKCTJWSA-N 2 2 345.531 3.475 10 0 EGAELP c1csc(C[NH+]2CCC(CNc3nccn4c[nH+]cc34)CC2)c1 ZINC000892135471 1305262584 /nfs/dbraw/zinc/26/25/84/1305262584.db2.gz DAELTMKDMHDQAE-UHFFFAOYSA-N 2 2 327.457 3.115 10 0 EGAELP CC(C)(C)c1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895111247 1309194579 /nfs/dbraw/zinc/19/45/79/1309194579.db2.gz DAKWOBJMKAUHQF-QAQDUYKDSA-N 2 2 339.487 3.446 10 0 EGAELP Cn1ncc(C2CCC2)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112544 1309196420 /nfs/dbraw/zinc/19/64/20/1309196420.db2.gz ATHNCURSRBCENR-QAQDUYKDSA-N 2 2 339.487 3.359 10 0 EGAELP COC(=O)c1oc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC000895116874 1309197593 /nfs/dbraw/zinc/19/75/93/1309197593.db2.gz VZUMRGWBTUNNEP-SHTZXODSSA-N 2 2 343.427 3.046 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Br)cc1F ZINC000858132299 1328690793 /nfs/dbraw/zinc/69/07/93/1328690793.db2.gz ZFLAIETTZYXVRZ-LBPRGKRZSA-N 2 2 329.257 3.328 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000858132299 1328690797 /nfs/dbraw/zinc/69/07/97/1328690797.db2.gz ZFLAIETTZYXVRZ-LBPRGKRZSA-N 2 2 329.257 3.328 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992890 1328759197 /nfs/dbraw/zinc/75/91/97/1328759197.db2.gz XOYCTPBBBUFCRQ-HRCADAONSA-N 2 2 348.491 3.283 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992890 1328759200 /nfs/dbraw/zinc/75/92/00/1328759200.db2.gz XOYCTPBBBUFCRQ-HRCADAONSA-N 2 2 348.491 3.283 10 0 EGAELP CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000858504397 1328782663 /nfs/dbraw/zinc/78/26/63/1328782663.db2.gz QORHCMIBLSDTKR-WMLDXEAASA-N 2 2 325.412 3.175 10 0 EGAELP C[NH+]1CCC2(CCCN(c3nc4ccccc4n4c[nH+]cc34)C2)CC1 ZINC000858527982 1328788303 /nfs/dbraw/zinc/78/83/03/1328788303.db2.gz NPDBMINFFNNDPJ-UHFFFAOYSA-N 2 2 335.455 3.195 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000922956245 1322661427 /nfs/dbraw/zinc/66/14/27/1322661427.db2.gz RCYSKSFOTBUERK-FBQMEGEOSA-N 2 2 328.500 3.468 10 0 EGAELP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000922956245 1322661432 /nfs/dbraw/zinc/66/14/32/1322661432.db2.gz RCYSKSFOTBUERK-FBQMEGEOSA-N 2 2 328.500 3.468 10 0 EGAELP CCc1onc(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000922983298 1322668567 /nfs/dbraw/zinc/66/85/67/1322668567.db2.gz JBDGQBCIKUSOCN-UHFFFAOYSA-N 2 2 342.487 3.370 10 0 EGAELP OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000923006257 1322672768 /nfs/dbraw/zinc/67/27/68/1322672768.db2.gz HFNSQBJQKZXERY-UWUNEBHHSA-N 2 2 339.464 3.116 10 0 EGAELP CC1=C(C)C[C@@](C)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000931216070 1329072961 /nfs/dbraw/zinc/07/29/61/1329072961.db2.gz BOGDEDWTVUKDPK-NRFANRHFSA-N 2 2 347.547 3.188 10 0 EGAELP C[NH+]1C[C@@]2(C)C[NH+](CCSc3ccc(F)cc3F)C[C@]2(C)C1 ZINC000931318910 1329092496 /nfs/dbraw/zinc/09/24/96/1329092496.db2.gz VNKTZSAJEQAIGF-IRXDYDNUSA-N 2 2 326.456 3.331 10 0 EGAELP C[C@@H]1CC2(CC([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)C2)CO1 ZINC000925181222 1325073498 /nfs/dbraw/zinc/07/34/98/1325073498.db2.gz VLQRHSLBGFCISC-FTSJTYPLSA-N 2 2 325.456 3.251 10 0 EGAELP c1nc2ccccc2n1Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925532868 1325195008 /nfs/dbraw/zinc/19/50/08/1325195008.db2.gz VOSFTBANUGFFPJ-NRFANRHFSA-N 2 2 346.478 3.459 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1OC(F)F ZINC000925782545 1325301049 /nfs/dbraw/zinc/30/10/49/1325301049.db2.gz MCKMNJJEZRGKFQ-ZJUUUORDSA-N 2 2 338.320 3.323 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825635 1325318903 /nfs/dbraw/zinc/31/89/03/1325318903.db2.gz AZWGYGHKYPCETB-UXHICEINSA-N 3 2 326.488 3.144 10 0 EGAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCOC34CCCCC4)[nH+]c2)C1 ZINC000925937647 1325364220 /nfs/dbraw/zinc/36/42/20/1325364220.db2.gz SXFPXVUBCUSLPK-ZWKOTPCHSA-N 2 2 344.503 3.126 10 0 EGAELP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1(Cl)CC1 ZINC000926956402 1327796045 /nfs/dbraw/zinc/79/60/45/1327796045.db2.gz AGBXXOJLTNTKGH-INIZCTEOSA-N 2 2 336.907 3.417 10 0 EGAELP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1(Cl)CC1 ZINC000926956402 1327796052 /nfs/dbraw/zinc/79/60/52/1327796052.db2.gz AGBXXOJLTNTKGH-INIZCTEOSA-N 2 2 336.907 3.417 10 0 EGAELP CCO[C@@H](C[NH2+][C@H]1CCCSc2ccc(OC)cc21)C[NH+](C)C ZINC000926961427 1327799324 /nfs/dbraw/zinc/79/93/24/1327799324.db2.gz OWJNMJFXQFSBTA-RDJZCZTQSA-N 2 2 338.517 3.179 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc(C)c1OCc1ccccn1 ZINC000863651766 1329570779 /nfs/dbraw/zinc/57/07/79/1329570779.db2.gz MENMGCIYVOMTHQ-QFBILLFUSA-N 2 2 325.456 3.117 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000865547893 1329712223 /nfs/dbraw/zinc/71/22/23/1329712223.db2.gz NWHIWNOIDOMQFJ-MRXNPFEDSA-N 2 2 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CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704979 1330143181 /nfs/dbraw/zinc/14/31/81/1330143181.db2.gz YZSFYJJBXROJHQ-FQEVSTJZSA-N 2 2 331.504 3.193 10 0 EGAELP CCc1cccc(C[NH+]2CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C2)c1 ZINC001323981969 1387503389 /nfs/dbraw/zinc/50/33/89/1387503389.db2.gz SXDXKDSUWQBILE-HXUWFJFHSA-N 2 2 345.531 3.012 10 0 EGAELP CC(C)C[C@H](C(=O)NC1(C)CC[NH+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001324318557 1387590308 /nfs/dbraw/zinc/59/03/08/1387590308.db2.gz LWOQEAHXCKGWPX-GOSISDBHSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1(C)CC[NH+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001324318558 1387590388 /nfs/dbraw/zinc/59/03/88/1387590388.db2.gz LWOQEAHXCKGWPX-SFHVURJKSA-N 2 2 346.519 3.241 10 0 EGAELP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197265353 1368774826 /nfs/dbraw/zinc/77/48/26/1368774826.db2.gz QPIKFSQHPAEYRJ-VQTJNVASSA-N 2 2 339.414 3.395 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001325530361 1387998296 /nfs/dbraw/zinc/99/82/96/1387998296.db2.gz JDVXAGTUFWJBQA-XHRFTGCISA-N 2 2 340.471 3.217 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC001326525564 1388230416 /nfs/dbraw/zinc/23/04/16/1388230416.db2.gz PWVTYUPNZOBAGZ-FHWLQOOXSA-N 2 2 346.519 3.145 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223573 1377236086 /nfs/dbraw/zinc/23/60/86/1377236086.db2.gz SMKHSODATQGXQW-FTWHOSCRSA-N 2 2 346.862 3.290 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223573 1377236092 /nfs/dbraw/zinc/23/60/92/1377236092.db2.gz SMKHSODATQGXQW-FTWHOSCRSA-N 2 2 346.862 3.290 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325945 1377273862 /nfs/dbraw/zinc/27/38/62/1377273862.db2.gz VFJAQYMCFKFNBQ-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266325945 1377273864 /nfs/dbraw/zinc/27/38/64/1377273864.db2.gz VFJAQYMCFKFNBQ-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)c1cccc2[nH+]ccn21 ZINC001267170750 1377422264 /nfs/dbraw/zinc/42/22/64/1377422264.db2.gz STSXXWCHMQCEJD-BCFOUKGLSA-N 2 2 346.862 3.061 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl)c1cccc2[nH+]ccn21 ZINC001267170750 1377422269 /nfs/dbraw/zinc/42/22/69/1377422269.db2.gz STSXXWCHMQCEJD-BCFOUKGLSA-N 2 2 346.862 3.061 10 0 EGAELP CC(C)[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1Cl ZINC001267510702 1377449389 /nfs/dbraw/zinc/44/93/89/1377449389.db2.gz ZJFSLFYXSVTJAY-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CC(C)[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1Cl ZINC001267510702 1377449391 /nfs/dbraw/zinc/44/93/91/1377449391.db2.gz ZJFSLFYXSVTJAY-UHFFFAOYSA-N 2 2 348.878 3.023 10 0 EGAELP CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001327480195 1388531918 /nfs/dbraw/zinc/53/19/18/1388531918.db2.gz WHHIXRPXMXENEU-UHFFFAOYSA-N 2 2 334.508 3.139 10 0 EGAELP CCC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283632296 1379068304 /nfs/dbraw/zinc/06/83/04/1379068304.db2.gz OLHVILQWQRNOOH-LFAOLKIESA-N 2 2 328.460 3.359 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001327881315 1388613848 /nfs/dbraw/zinc/61/38/48/1388613848.db2.gz NSJVLUXDGVSCQE-DOTOQJQBSA-N 2 2 348.535 3.189 10 0 EGAELP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328028616 1388648786 /nfs/dbraw/zinc/64/87/86/1388648786.db2.gz GAPNGCWVLQEWQV-KEGWNNHHSA-N 2 2 332.492 3.161 10 0 EGAELP Cc1[nH]c([C@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)[nH+]c1C ZINC001303608331 1383808720 /nfs/dbraw/zinc/80/87/20/1383808720.db2.gz HCKBPJBLNLPMOK-QGZVFWFLSA-N 2 2 326.444 3.065 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001168849408 1384033293 /nfs/dbraw/zinc/03/32/93/1384033293.db2.gz ZVKZXDFBJKYKIT-ROUUACIJSA-N 2 2 331.504 3.272 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001168849408 1384033297 /nfs/dbraw/zinc/03/32/97/1384033297.db2.gz ZVKZXDFBJKYKIT-ROUUACIJSA-N 2 2 331.504 3.272 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001316769038 1384567986 /nfs/dbraw/zinc/56/79/86/1384567986.db2.gz GMASOPCWTMGPBP-ZWKOTPCHSA-N 2 2 334.508 3.240 10 0 EGAELP C[C@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001316775261 1384574272 /nfs/dbraw/zinc/57/42/72/1384574272.db2.gz ZJFNBZWMNWMJBE-JKSUJKDBSA-N 2 2 346.450 3.057 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317190731 1384964644 /nfs/dbraw/zinc/96/46/44/1384964644.db2.gz RGGCEKLXXFYWEN-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317190731 1384964647 /nfs/dbraw/zinc/96/46/47/1384964647.db2.gz RGGCEKLXXFYWEN-KZNAEPCWSA-N 2 2 344.503 3.064 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC3CCC([NH2+]CC[C@H](C)F)CC3)ccn12 ZINC001317217411 1384997505 /nfs/dbraw/zinc/99/75/05/1384997505.db2.gz FSPMRILCMFKXJG-IGEOTXOUSA-N 2 2 346.450 3.021 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001317678433 1385386267 /nfs/dbraw/zinc/38/62/67/1385386267.db2.gz FCQPIGSGFCZHDH-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317687845 1385399274 /nfs/dbraw/zinc/39/92/74/1385399274.db2.gz UMVSTAWRZCATAU-CABCVRRESA-N 2 2 342.487 3.439 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001318066785 1385623154 /nfs/dbraw/zinc/62/31/54/1385623154.db2.gz GHZOXYWCZNVLLN-DLBZAZTESA-N 2 2 340.471 3.013 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001319217097 1386009807 /nfs/dbraw/zinc/00/98/07/1386009807.db2.gz JHKPYPPPDWOJBT-CYBMUJFWSA-N 2 2 331.504 3.399 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319500640 1386148793 /nfs/dbraw/zinc/14/87/93/1386148793.db2.gz BJZBRVUCEYTNJW-QGZVFWFLSA-N 2 2 342.487 3.359 10 0 EGAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001319541880 1386170650 /nfs/dbraw/zinc/17/06/50/1386170650.db2.gz XPTLCFBBBXEBAI-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001319559717 1386178507 /nfs/dbraw/zinc/17/85/07/1386178507.db2.gz HCIPQXNOVPFRCI-OAHLLOKOSA-N 2 2 334.508 3.094 10 0 EGAELP CC[C@@H]([NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001321155404 1386824449 /nfs/dbraw/zinc/82/44/49/1386824449.db2.gz LPUZYVSMKGGHAU-HPFMTEOYSA-N 2 2 348.450 3.361 10 0 EGAELP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698671898 1406321302 /nfs/dbraw/zinc/32/13/02/1406321302.db2.gz GCFRXLZZWSMBLP-CVEARBPZSA-N 2 2 342.487 3.441 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001321760979 1386978399 /nfs/dbraw/zinc/97/83/99/1386978399.db2.gz VSTYZKGOEDSCHK-CVEARBPZSA-N 2 2 342.487 3.036 10 0 EGAELP 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1392700001 /nfs/dbraw/zinc/70/00/01/1392700001.db2.gz LDJKSYKASCKXDU-GOSISDBHSA-N 2 2 348.535 3.478 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001480481819 1392765607 /nfs/dbraw/zinc/76/56/07/1392765607.db2.gz XLNFMDJAHHPENL-SJLPKXTDSA-N 2 2 346.519 3.145 10 0 EGAELP CCC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1cc(C)ccc1C ZINC001481148559 1393134177 /nfs/dbraw/zinc/13/41/77/1393134177.db2.gz NCEIRVRQBGAKBQ-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP CCC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1cc(C)ccc1C ZINC001481148559 1393134178 /nfs/dbraw/zinc/13/41/78/1393134178.db2.gz NCEIRVRQBGAKBQ-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481332359 1393165348 /nfs/dbraw/zinc/16/53/48/1393165348.db2.gz FBZLZUVKTZEOTD-HZPDHXFCSA-N 2 2 342.487 3.211 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001698918110 1406652826 /nfs/dbraw/zinc/65/28/26/1406652826.db2.gz SCXSBXLHDNSYMR-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491252232 1394491911 /nfs/dbraw/zinc/49/19/11/1394491911.db2.gz LEUDSAMJYKWQNK-ZWKOTPCHSA-N 2 2 334.508 3.241 10 0 EGAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001481772786 1394517060 /nfs/dbraw/zinc/51/70/60/1394517060.db2.gz ZZNKLSYYHOAROA-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001481772786 1394517061 /nfs/dbraw/zinc/51/70/61/1394517061.db2.gz ZZNKLSYYHOAROA-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482058830 1394720180 /nfs/dbraw/zinc/72/01/80/1394720180.db2.gz ZIDPACXGDTXTJV-OAHLLOKOSA-N 2 2 328.460 3.193 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001482475680 1395030115 /nfs/dbraw/zinc/03/01/15/1395030115.db2.gz YAHXZTDGTUGFKU-QZTJIDSGSA-N 2 2 348.535 3.189 10 0 EGAELP 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ZINC001692173093 1405821172 /nfs/dbraw/zinc/82/11/72/1405821172.db2.gz FEUXDWIUEVKCRE-SJORKVTESA-N 2 2 334.508 3.086 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001692323041 1405942120 /nfs/dbraw/zinc/94/21/20/1405942120.db2.gz YVAGUFXHUXOUEB-IJVDHGTGSA-N 2 2 346.862 3.290 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732312302 1428524745 /nfs/dbraw/zinc/52/47/45/1428524745.db2.gz VUNNCVPSVDHFQW-PNBJTTCPSA-N 2 2 332.492 3.208 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001732433676 1428578697 /nfs/dbraw/zinc/57/86/97/1428578697.db2.gz SLKDSWCPRQTQRF-KRWDZBQOSA-N 2 2 334.508 3.070 10 0 EGAELP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699395322 1412710060 /nfs/dbraw/zinc/71/00/60/1412710060.db2.gz CEVRICRAETYBLT-CVEARBPZSA-N 2 2 340.471 3.006 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]1C ZINC001699731723 1413143647 /nfs/dbraw/zinc/14/36/47/1413143647.db2.gz FHPMYAZYSBIKQD-DOTOQJQBSA-N 2 2 347.503 3.038 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001699734883 1413146336 /nfs/dbraw/zinc/14/63/36/1413146336.db2.gz BZKMJPODNQFKPX-DLBZAZTESA-N 2 2 342.487 3.353 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001699966657 1413406414 /nfs/dbraw/zinc/40/64/14/1413406414.db2.gz WFVXQJAQCXXDGR-QAPCUYQASA-N 2 2 348.535 3.047 10 0 EGAELP CC(C)CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001700438126 1414006924 /nfs/dbraw/zinc/00/69/24/1414006924.db2.gz WZKYQARWOMIKKN-UHFFFAOYSA-N 2 2 334.508 3.093 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001700754952 1414424999 /nfs/dbraw/zinc/42/49/99/1414424999.db2.gz DBORGOLFFRAPRU-RDJZCZTQSA-N 2 2 348.516 3.169 10 0 EGAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001700793884 1414465899 /nfs/dbraw/zinc/46/58/99/1414465899.db2.gz CDZBEUBKCHXBGN-HNNXBMFYSA-N 2 2 348.535 3.340 10 0 EGAELP C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001700863489 1414513298 /nfs/dbraw/zinc/51/32/98/1414513298.db2.gz ZVIKQRSJODXYJE-IEBWSBKVSA-N 2 2 344.503 3.133 10 0 EGAELP CCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732617899 1428879632 /nfs/dbraw/zinc/87/96/32/1428879632.db2.gz JWQNKBASUBTVHW-GDBMZVCRSA-N 2 2 328.460 3.241 10 0 EGAELP CCN(CC[NH2+]CC1CCCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001732806389 1428984744 /nfs/dbraw/zinc/98/47/44/1428984744.db2.gz DYCACZXZAMMDEG-UHFFFAOYSA-N 2 2 334.508 3.096 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001707147446 1417222542 /nfs/dbraw/zinc/22/25/42/1417222542.db2.gz ZABOYKCKDCVJDD-QFBILLFUSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001707242472 1417261779 /nfs/dbraw/zinc/26/17/79/1417261779.db2.gz DJMGVLVBQAMZTN-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001707244630 1417263400 /nfs/dbraw/zinc/26/34/00/1417263400.db2.gz JHAVQCZRAHJNJE-MRXNPFEDSA-N 2 2 334.508 3.139 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001707245754 1417264094 /nfs/dbraw/zinc/26/40/94/1417264094.db2.gz MNLFBDQIZFNJKP-SFHVURJKSA-N 2 2 348.535 3.150 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001713257373 1417859729 /nfs/dbraw/zinc/85/97/29/1417859729.db2.gz BCCKTVKALHWLFV-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001713257373 1417859732 /nfs/dbraw/zinc/85/97/32/1417859732.db2.gz BCCKTVKALHWLFV-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257481 1417860704 /nfs/dbraw/zinc/86/07/04/1417860704.db2.gz DAVAWRQYYIMSTG-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257481 1417860708 /nfs/dbraw/zinc/86/07/08/1417860708.db2.gz DAVAWRQYYIMSTG-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257481 1417860712 /nfs/dbraw/zinc/86/07/12/1417860712.db2.gz DAVAWRQYYIMSTG-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257481 1417860714 /nfs/dbraw/zinc/86/07/14/1417860714.db2.gz DAVAWRQYYIMSTG-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001713277712 1417900648 /nfs/dbraw/zinc/90/06/48/1417900648.db2.gz LPHJUAOGNJCOFN-SJLPKXTDSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001713277712 1417900650 /nfs/dbraw/zinc/90/06/50/1417900650.db2.gz LPHJUAOGNJCOFN-SJLPKXTDSA-N 2 2 344.503 3.059 10 0 EGAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCCC1CCC1 ZINC001713328737 1417953400 /nfs/dbraw/zinc/95/34/00/1417953400.db2.gz ZHBFFXPGSRCTQP-INIZCTEOSA-N 2 2 340.471 3.161 10 0 EGAELP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713393335 1418007274 /nfs/dbraw/zinc/00/72/74/1418007274.db2.gz LWOHEFKCCGBWRZ-MSOLQXFVSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713393335 1418007277 /nfs/dbraw/zinc/00/72/77/1418007277.db2.gz LWOHEFKCCGBWRZ-MSOLQXFVSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001713539016 1418296203 /nfs/dbraw/zinc/29/62/03/1418296203.db2.gz XHNOZPBZZFBLAQ-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001713539016 1418296206 /nfs/dbraw/zinc/29/62/06/1418296206.db2.gz XHNOZPBZZFBLAQ-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713790089 1418607872 /nfs/dbraw/zinc/60/78/72/1418607872.db2.gz HHTDVFHQYQFULX-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713790089 1418607874 /nfs/dbraw/zinc/60/78/74/1418607874.db2.gz HHTDVFHQYQFULX-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607371 1419366359 /nfs/dbraw/zinc/36/63/59/1419366359.db2.gz MEZJUUHLNWVSAM-WRFKIARRSA-N 2 2 340.471 3.193 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714607371 1419366361 /nfs/dbraw/zinc/36/63/61/1419366361.db2.gz MEZJUUHLNWVSAM-WRFKIARRSA-N 2 2 340.471 3.193 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001714621992 1419389262 /nfs/dbraw/zinc/38/92/62/1419389262.db2.gz PKUFHTCAMFYNLL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001714621992 1419389267 /nfs/dbraw/zinc/38/92/67/1419389267.db2.gz PKUFHTCAMFYNLL-DLBZAZTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714677048 1419469774 /nfs/dbraw/zinc/46/97/74/1419469774.db2.gz ZKEYOXZJPKLUMG-CQSZACIVSA-N 2 2 340.471 3.193 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001714811133 1419521920 /nfs/dbraw/zinc/52/19/20/1419521920.db2.gz RGTZJTYRHBIULY-QGZVFWFLSA-N 2 2 346.519 3.110 10 0 EGAELP CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001715038003 1419773809 /nfs/dbraw/zinc/77/38/09/1419773809.db2.gz JFUDURLQBRAIIL-MSOLQXFVSA-N 2 2 334.508 3.049 10 0 EGAELP CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001715038003 1419773811 /nfs/dbraw/zinc/77/38/11/1419773811.db2.gz JFUDURLQBRAIIL-MSOLQXFVSA-N 2 2 334.508 3.049 10 0 EGAELP CCCCC[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001715109500 1419852403 /nfs/dbraw/zinc/85/24/03/1419852403.db2.gz JFCURWMSVQYIED-FQEVSTJZSA-N 2 2 342.487 3.321 10 0 EGAELP CC(C)CCC[NH2+]C[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001715113456 1419856851 /nfs/dbraw/zinc/85/68/51/1419856851.db2.gz BOIFSUURMBEHKZ-HXUWFJFHSA-N 2 2 342.487 3.259 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC1CCC(C)CC1 ZINC001715237451 1419968103 /nfs/dbraw/zinc/96/81/03/1419968103.db2.gz HBSSIGQZMFGARF-HWOWSKLDSA-N 2 2 342.487 3.345 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001715410193 1420107150 /nfs/dbraw/zinc/10/71/50/1420107150.db2.gz ILZJZXDBVDUPJK-FPTDEYDUSA-N 2 2 346.519 3.110 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001715435744 1420122019 /nfs/dbraw/zinc/12/20/19/1420122019.db2.gz RMQKGVAYNWHZQD-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001715435744 1420122022 /nfs/dbraw/zinc/12/20/22/1420122022.db2.gz RMQKGVAYNWHZQD-LJQANCHMSA-N 2 2 346.519 3.283 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]Cc2ncccc2C)c(C)[nH+]1 ZINC001715664218 1420285111 /nfs/dbraw/zinc/28/51/11/1420285111.db2.gz IIWNAZLNAKBADX-OAHLLOKOSA-N 2 2 340.471 3.008 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]Cc2ncccc2C)c(C)[nH+]1 ZINC001715664217 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PYKAUUXKTFMQMF-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001716498004 1420723161 /nfs/dbraw/zinc/72/31/61/1420723161.db2.gz PYKAUUXKTFMQMF-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001716498002 1420723368 /nfs/dbraw/zinc/72/33/68/1420723368.db2.gz PYKAUUXKTFMQMF-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001716498002 1420723370 /nfs/dbraw/zinc/72/33/70/1420723370.db2.gz PYKAUUXKTFMQMF-QZTJIDSGSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC(C)C)C[C@H]3C)ccn12 ZINC001716760663 1420908032 /nfs/dbraw/zinc/90/80/32/1420908032.db2.gz BEGOVORQNMYSKE-CRAIPNDOSA-N 2 2 342.487 3.272 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716785685 1420921618 /nfs/dbraw/zinc/92/16/18/1420921618.db2.gz NSKGFFIFUCILDX-QFBILLFUSA-N 2 2 346.519 3.139 10 0 EGAELP 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ZINC001725667587 1426350986 /nfs/dbraw/zinc/35/09/86/1426350986.db2.gz YSVWRMXTUILSAH-MOPGFXCFSA-N 2 2 346.519 3.118 10 0 EGAELP C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccsc1)C(C)(C)C)n1cc[nH+]c1 ZINC001725749269 1426427469 /nfs/dbraw/zinc/42/74/69/1426427469.db2.gz DUCZHUARTCACJJ-GDBMZVCRSA-N 2 2 348.516 3.216 10 0 EGAELP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725766000 1426449349 /nfs/dbraw/zinc/44/93/49/1426449349.db2.gz CECIVUYIARUIEC-DLBZAZTESA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)=CC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001725767876 1426451173 /nfs/dbraw/zinc/45/11/73/1426451173.db2.gz SDEJBUPWPTZHFY-UHFFFAOYSA-N 2 2 328.460 3.312 10 0 EGAELP CC(C)=CC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001725767876 1426451175 /nfs/dbraw/zinc/45/11/75/1426451175.db2.gz SDEJBUPWPTZHFY-UHFFFAOYSA-N 2 2 328.460 3.312 10 0 EGAELP CC/C=C\CC[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725831784 1426511214 /nfs/dbraw/zinc/51/12/14/1426511214.db2.gz ICYCUUMKCZFACI-ARJAWSKDSA-N 2 2 338.455 3.053 10 0 EGAELP CC/C=C\CC[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725831784 1426511216 /nfs/dbraw/zinc/51/12/16/1426511216.db2.gz ICYCUUMKCZFACI-ARJAWSKDSA-N 2 2 338.455 3.053 10 0 EGAELP CC/C=C\CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396209 1427351637 /nfs/dbraw/zinc/35/16/37/1427351637.db2.gz MXQKZQCNFCBZDG-JXCVUKRWSA-N 2 2 326.444 3.017 10 0 EGAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001731840644 1428061801 /nfs/dbraw/zinc/06/18/01/1428061801.db2.gz FKLGRRGRYMVUDB-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001731840644 1428061803 /nfs/dbraw/zinc/06/18/03/1428061803.db2.gz FKLGRRGRYMVUDB-IBGZPJMESA-N 2 2 344.503 3.134 10 0 EGAELP CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603548 1429812358 /nfs/dbraw/zinc/81/23/58/1429812358.db2.gz ZCVVWYBGFCCEGO-OALUTQOASA-N 2 2 340.471 3.432 10 0 EGAELP CCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733603548 1429812364 /nfs/dbraw/zinc/81/23/64/1429812364.db2.gz ZCVVWYBGFCCEGO-OALUTQOASA-N 2 2 340.471 3.432 10 0 EGAELP CCCCC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001733835248 1430106699 /nfs/dbraw/zinc/10/66/99/1430106699.db2.gz AFZZLJGAXACDST-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CCCCC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001733835248 1430106701 /nfs/dbraw/zinc/10/67/01/1430106701.db2.gz AFZZLJGAXACDST-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CCCCC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001733835248 1430106702 /nfs/dbraw/zinc/10/67/02/1430106702.db2.gz AFZZLJGAXACDST-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CCCCC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001733835248 1430106703 /nfs/dbraw/zinc/10/67/03/1430106703.db2.gz AFZZLJGAXACDST-UHFFFAOYSA-N 2 2 340.471 3.165 10 0 EGAELP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876172 1437703086 /nfs/dbraw/zinc/70/30/86/1437703086.db2.gz UBECJMRFBKCXDS-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001733876172 1437703088 /nfs/dbraw/zinc/70/30/88/1437703088.db2.gz UBECJMRFBKCXDS-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938459 1437754181 /nfs/dbraw/zinc/75/41/81/1437754181.db2.gz WNBFFVGZSRWBIQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938459 1437754184 /nfs/dbraw/zinc/75/41/84/1437754184.db2.gz WNBFFVGZSRWBIQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733938459 1437754186 /nfs/dbraw/zinc/75/41/86/1437754186.db2.gz WNBFFVGZSRWBIQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733938459 1437754188 /nfs/dbraw/zinc/75/41/88/1437754188.db2.gz WNBFFVGZSRWBIQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC1CCCCC1 ZINC001733981058 1437778485 /nfs/dbraw/zinc/77/84/85/1437778485.db2.gz HAEIAITUCNWPNH-LSDHHAIUSA-N 2 2 328.460 3.011 10 0 EGAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734067139 1437862223 /nfs/dbraw/zinc/86/22/23/1437862223.db2.gz WPBIIPOOEUTPPM-WWDZGPRUSA-N 2 2 348.535 3.172 10 0 EGAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734067139 1437862224 /nfs/dbraw/zinc/86/22/24/1437862224.db2.gz WPBIIPOOEUTPPM-WWDZGPRUSA-N 2 2 348.535 3.172 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001734212094 1437944709 /nfs/dbraw/zinc/94/47/09/1437944709.db2.gz GBUSPOYERPWYHD-ULQDDVLXSA-N 2 2 342.487 3.115 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001734498353 1438133302 /nfs/dbraw/zinc/13/33/02/1438133302.db2.gz YLUAIBWOHPMQOS-RHSMWYFYSA-N 2 2 342.487 3.129 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001734561849 1438159205 /nfs/dbraw/zinc/15/92/05/1438159205.db2.gz RNOFGZKLWJFGTD-QGZVFWFLSA-N 2 2 342.487 3.343 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC001734599810 1438182419 /nfs/dbraw/zinc/18/24/19/1438182419.db2.gz ADAQSSSNMALAJJ-DMKPSLHHSA-N 2 2 346.519 3.138 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC001734599810 1438182421 /nfs/dbraw/zinc/18/24/21/1438182421.db2.gz ADAQSSSNMALAJJ-DMKPSLHHSA-N 2 2 346.519 3.138 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001750931621 1440113243 /nfs/dbraw/zinc/11/32/43/1440113243.db2.gz WCNAVGZONHRQJB-WMZOPIPTSA-N 2 2 348.535 3.256 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001750931621 1440113244 /nfs/dbraw/zinc/11/32/44/1440113244.db2.gz WCNAVGZONHRQJB-WMZOPIPTSA-N 2 2 348.535 3.256 10 0 EGAELP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1OCc1ccccc1 ZINC000368101909 168311412 /nfs/dbraw/zinc/31/14/12/168311412.db2.gz WFUUMQQGCJOSNR-ATZDWAIDSA-N 2 2 325.456 3.241 10 0 EGAELP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1OCc1ccccc1 ZINC000368101909 168311414 /nfs/dbraw/zinc/31/14/14/168311414.db2.gz WFUUMQQGCJOSNR-ATZDWAIDSA-N 2 2 325.456 3.241 10 0 EGAELP Cc1[nH+]cc(CN(CC[NH3+])CCc2ccccc2)n1-c1ccccc1 ZINC000262084043 282150233 /nfs/dbraw/zinc/15/02/33/282150233.db2.gz UCIPTOMUWYZUOR-UHFFFAOYSA-N 2 2 334.467 3.184 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000178287008 232125789 /nfs/dbraw/zinc/12/57/89/232125789.db2.gz VSYYVMJKWAKLPB-MRXNPFEDSA-N 2 2 341.390 3.045 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000178287008 232125797 /nfs/dbraw/zinc/12/57/97/232125797.db2.gz VSYYVMJKWAKLPB-MRXNPFEDSA-N 2 2 341.390 3.045 10 0 EGAELP C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)[N@H+](C)CC1CCOCC1 ZINC000104199662 219360063 /nfs/dbraw/zinc/36/00/63/219360063.db2.gz JIAFYDNPBMPFBA-QMTHXVAHSA-N 2 2 347.322 3.257 10 0 EGAELP C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)[N@@H+](C)CC1CCOCC1 ZINC000104199662 219360065 /nfs/dbraw/zinc/36/00/65/219360065.db2.gz JIAFYDNPBMPFBA-QMTHXVAHSA-N 2 2 347.322 3.257 10 0 EGAELP Cc1[nH]nc2ncc(C[NH2+]C[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000069157718 215365314 /nfs/dbraw/zinc/36/53/14/215365314.db2.gz ZHFHAGJJHHANFK-INIZCTEOSA-N 2 2 341.484 3.255 10 0 EGAELP COCCSCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376400832 168900566 /nfs/dbraw/zinc/90/05/66/168900566.db2.gz NNDUCFUMRRDDBM-MRXNPFEDSA-N 2 2 337.533 3.169 10 0 EGAELP COCCSCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376400832 168900568 /nfs/dbraw/zinc/90/05/68/168900568.db2.gz NNDUCFUMRRDDBM-MRXNPFEDSA-N 2 2 337.533 3.169 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)[nH+]1 ZINC000408462588 169178253 /nfs/dbraw/zinc/17/82/53/169178253.db2.gz DQPBFZLLXKUIMA-MLGOLLRUSA-N 2 2 327.432 3.318 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cccc4nccn43)C1)CCCC2 ZINC000299739465 258010483 /nfs/dbraw/zinc/01/04/83/258010483.db2.gz OUUQGVNPNZLSCT-KRWDZBQOSA-N 2 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cccc4nccn43)C1)CCCC2 ZINC000299739465 258010484 /nfs/dbraw/zinc/01/04/84/258010484.db2.gz OUUQGVNPNZLSCT-KRWDZBQOSA-N 2 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cccc4[nH+]ccn43)C1)CCCC2 ZINC000299739465 258010486 /nfs/dbraw/zinc/01/04/86/258010486.db2.gz OUUQGVNPNZLSCT-KRWDZBQOSA-N 3 2 335.455 3.165 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cccc4[nH+]ccn43)C1)CCCC2 ZINC000299739465 258010487 /nfs/dbraw/zinc/01/04/87/258010487.db2.gz OUUQGVNPNZLSCT-KRWDZBQOSA-N 3 2 335.455 3.165 10 0 EGAELP c1cn(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246882159 141041765 /nfs/dbraw/zinc/04/17/65/141041765.db2.gz QOXISOMZVDXPSQ-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246882159 141041768 /nfs/dbraw/zinc/04/17/68/141041768.db2.gz QOXISOMZVDXPSQ-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246882159 141041771 /nfs/dbraw/zinc/04/17/71/141041771.db2.gz QOXISOMZVDXPSQ-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246882159 141041773 /nfs/dbraw/zinc/04/17/73/141041773.db2.gz QOXISOMZVDXPSQ-LAUBAEHRSA-N 2 2 336.483 3.321 10 0 EGAELP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)(F)F ZINC000346190034 141176953 /nfs/dbraw/zinc/17/69/53/141176953.db2.gz VKJSAMRCFQWLIH-LBPRGKRZSA-N 2 2 344.406 3.002 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCN1CC(F)(F)F ZINC000346190034 141176955 /nfs/dbraw/zinc/17/69/55/141176955.db2.gz VKJSAMRCFQWLIH-LBPRGKRZSA-N 2 2 344.406 3.002 10 0 EGAELP OCCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346207112 141180218 /nfs/dbraw/zinc/18/02/18/141180218.db2.gz MCNFDJLFXZMBID-UHFFFAOYSA-N 2 2 327.453 3.318 10 0 EGAELP OCCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346207112 141180221 /nfs/dbraw/zinc/18/02/21/141180221.db2.gz MCNFDJLFXZMBID-UHFFFAOYSA-N 2 2 327.453 3.318 10 0 EGAELP CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C(C)C ZINC000348447650 141245957 /nfs/dbraw/zinc/24/59/57/141245957.db2.gz WHBNLECHCQMLBY-KBXCAEBGSA-N 2 2 344.459 3.054 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000356819941 141348584 /nfs/dbraw/zinc/34/85/84/141348584.db2.gz FGZPHJBFOLULDM-RDJZCZTQSA-N 2 2 342.487 3.066 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000356819941 141348586 /nfs/dbraw/zinc/34/85/86/141348586.db2.gz FGZPHJBFOLULDM-RDJZCZTQSA-N 2 2 342.487 3.066 10 0 EGAELP C[NH+]1CCC(CNC(=O)c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172751132 144027114 /nfs/dbraw/zinc/02/71/14/144027114.db2.gz BCIOVTPMDMPYJL-UHFFFAOYSA-N 2 2 349.906 3.020 10 0 EGAELP c1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000174741805 144051431 /nfs/dbraw/zinc/05/14/31/144051431.db2.gz XLPNSKWOURFXIZ-UHFFFAOYSA-N 2 2 349.438 3.208 10 0 EGAELP c1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000174741805 144051432 /nfs/dbraw/zinc/05/14/32/144051432.db2.gz XLPNSKWOURFXIZ-UHFFFAOYSA-N 2 2 349.438 3.208 10 0 EGAELP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178318311 144069472 /nfs/dbraw/zinc/06/94/72/144069472.db2.gz SEGWPUHBAGBDBK-CZUORRHYSA-N 2 2 334.489 3.410 10 0 EGAELP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178318311 144069473 /nfs/dbraw/zinc/06/94/73/144069473.db2.gz SEGWPUHBAGBDBK-CZUORRHYSA-N 2 2 334.489 3.410 10 0 EGAELP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186833619 144145109 /nfs/dbraw/zinc/14/51/09/144145109.db2.gz BJXCAGJLZKMAMY-WOJBJXKFSA-N 2 2 331.504 3.229 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000192034472 153238873 /nfs/dbraw/zinc/23/88/73/153238873.db2.gz RJCXQCHJJLJWGG-HZPDHXFCSA-N 2 2 333.476 3.244 10 0 EGAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000192034472 153238876 /nfs/dbraw/zinc/23/88/76/153238876.db2.gz RJCXQCHJJLJWGG-HZPDHXFCSA-N 2 2 333.476 3.244 10 0 EGAELP Cc1nc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000193645955 153299257 /nfs/dbraw/zinc/29/92/57/153299257.db2.gz VJUHJWPWMFYZCL-GASCZTMLSA-N 2 2 331.847 3.297 10 0 EGAELP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000193645955 153299262 /nfs/dbraw/zinc/29/92/62/153299262.db2.gz VJUHJWPWMFYZCL-GASCZTMLSA-N 2 2 331.847 3.297 10 0 EGAELP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000193645955 153299264 /nfs/dbraw/zinc/29/92/64/153299264.db2.gz VJUHJWPWMFYZCL-GASCZTMLSA-N 2 2 331.847 3.297 10 0 EGAELP Cc1nc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000193645955 153299268 /nfs/dbraw/zinc/29/92/68/153299268.db2.gz VJUHJWPWMFYZCL-GASCZTMLSA-N 2 2 331.847 3.297 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]1c1ccccc1 ZINC000340108327 155100280 /nfs/dbraw/zinc/10/02/80/155100280.db2.gz HJKIDYVGRYHUSQ-SFTDATJTSA-N 2 2 332.451 3.407 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]1c1ccccc1 ZINC000340108327 155100283 /nfs/dbraw/zinc/10/02/83/155100283.db2.gz HJKIDYVGRYHUSQ-SFTDATJTSA-N 2 2 332.451 3.407 10 0 EGAELP CO[C@@H](CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476248 156122392 /nfs/dbraw/zinc/12/23/92/156122392.db2.gz CRBVSAHLDKWRHZ-HOTGVXAUSA-N 2 2 330.394 3.208 10 0 EGAELP CO[C@@H](CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476248 156122394 /nfs/dbraw/zinc/12/23/94/156122394.db2.gz CRBVSAHLDKWRHZ-HOTGVXAUSA-N 2 2 330.394 3.208 10 0 EGAELP Cc1ccc(CN(CC[NH+](C)C)Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000349071023 156343026 /nfs/dbraw/zinc/34/30/26/156343026.db2.gz FAIDKNIFGYKQDQ-UHFFFAOYSA-N 2 2 344.484 3.399 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000368694990 157266625 /nfs/dbraw/zinc/26/66/25/157266625.db2.gz QFYYDUGYNBEVHE-QGZVFWFLSA-N 2 2 348.450 3.071 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000368694990 157266629 /nfs/dbraw/zinc/26/66/29/157266629.db2.gz QFYYDUGYNBEVHE-QGZVFWFLSA-N 2 2 348.450 3.071 10 0 EGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644226 162020352 /nfs/dbraw/zinc/02/03/52/162020352.db2.gz CFDSASLERKTXGS-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644226 162020356 /nfs/dbraw/zinc/02/03/56/162020356.db2.gz CFDSASLERKTXGS-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644226 162020360 /nfs/dbraw/zinc/02/03/60/162020360.db2.gz CFDSASLERKTXGS-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000093644226 162020363 /nfs/dbraw/zinc/02/03/63/162020363.db2.gz CFDSASLERKTXGS-GXTWGEPZSA-N 2 2 326.868 3.272 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639731 162021386 /nfs/dbraw/zinc/02/13/86/162021386.db2.gz IZBOLHZBUFDNTI-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639731 162021389 /nfs/dbraw/zinc/02/13/89/162021389.db2.gz IZBOLHZBUFDNTI-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639731 162021392 /nfs/dbraw/zinc/02/13/92/162021392.db2.gz IZBOLHZBUFDNTI-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000093639731 162021394 /nfs/dbraw/zinc/02/13/94/162021394.db2.gz IZBOLHZBUFDNTI-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP COc1cc(C)c(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1OC ZINC000343642518 164001188 /nfs/dbraw/zinc/00/11/88/164001188.db2.gz SURCJVMDRACXIS-UHFFFAOYSA-N 2 2 341.455 3.038 10 0 EGAELP CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346151932 164351045 /nfs/dbraw/zinc/35/10/45/164351045.db2.gz NWJQCPKCLQUWBX-UHFFFAOYSA-N 2 2 347.484 3.488 10 0 EGAELP CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346184506 164358921 /nfs/dbraw/zinc/35/89/21/164358921.db2.gz UJPRXVLMXZWYQR-OAHLLOKOSA-N 2 2 346.500 3.062 10 0 EGAELP CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346184506 164358923 /nfs/dbraw/zinc/35/89/23/164358923.db2.gz UJPRXVLMXZWYQR-OAHLLOKOSA-N 2 2 346.500 3.062 10 0 EGAELP CCc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000354979944 166078134 /nfs/dbraw/zinc/07/81/34/166078134.db2.gz LGPLZUOPHJIEBQ-UHFFFAOYSA-N 2 2 330.863 3.323 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352002160 165187201 /nfs/dbraw/zinc/18/72/01/165187201.db2.gz FKAIEBVTXHNMGY-FQEVSTJZSA-N 2 2 346.478 3.451 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352002160 165187203 /nfs/dbraw/zinc/18/72/03/165187203.db2.gz FKAIEBVTXHNMGY-FQEVSTJZSA-N 2 2 346.478 3.451 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)cc[nH+]1 ZINC000355360995 166174627 /nfs/dbraw/zinc/17/46/27/166174627.db2.gz DDQPAZSLXLZFMN-UHFFFAOYSA-N 2 2 330.501 3.466 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000355378774 166179537 /nfs/dbraw/zinc/17/95/37/166179537.db2.gz ZIWSQVJXRDMDJZ-OAHLLOKOSA-N 2 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000355378774 166179539 /nfs/dbraw/zinc/17/95/39/166179539.db2.gz ZIWSQVJXRDMDJZ-OAHLLOKOSA-N 2 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355378774 166179542 /nfs/dbraw/zinc/17/95/42/166179542.db2.gz ZIWSQVJXRDMDJZ-OAHLLOKOSA-N 3 2 341.484 3.122 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355378774 166179545 /nfs/dbraw/zinc/17/95/45/166179545.db2.gz ZIWSQVJXRDMDJZ-OAHLLOKOSA-N 3 2 341.484 3.122 10 0 EGAELP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000359685731 167208879 /nfs/dbraw/zinc/20/88/79/167208879.db2.gz KXHCEBDPELGPFZ-LJQANCHMSA-N 2 2 336.439 3.435 10 0 EGAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000123250442 222242388 /nfs/dbraw/zinc/24/23/88/222242388.db2.gz SLZRTIBBTRSQGF-JTDSTZFVSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000123250442 222242391 /nfs/dbraw/zinc/24/23/91/222242391.db2.gz SLZRTIBBTRSQGF-JTDSTZFVSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000123250442 222242395 /nfs/dbraw/zinc/24/23/95/222242395.db2.gz SLZRTIBBTRSQGF-JTDSTZFVSA-N 2 2 349.494 3.150 10 0 EGAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000123250442 222242399 /nfs/dbraw/zinc/24/23/99/222242399.db2.gz SLZRTIBBTRSQGF-JTDSTZFVSA-N 2 2 349.494 3.150 10 0 EGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000171647791 227195981 /nfs/dbraw/zinc/19/59/81/227195981.db2.gz FTISKSCGBBKMAJ-CQSZACIVSA-N 2 2 344.846 3.108 10 0 EGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000171647791 227195989 /nfs/dbraw/zinc/19/59/89/227195989.db2.gz FTISKSCGBBKMAJ-CQSZACIVSA-N 2 2 344.846 3.108 10 0 EGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000171647632 227197091 /nfs/dbraw/zinc/19/70/91/227197091.db2.gz YPXCOVRDEXJJST-CQSZACIVSA-N 2 2 344.846 3.108 10 0 EGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000171647632 227197096 /nfs/dbraw/zinc/19/70/96/227197096.db2.gz YPXCOVRDEXJJST-CQSZACIVSA-N 2 2 344.846 3.108 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152972481 264792268 /nfs/dbraw/zinc/79/22/68/264792268.db2.gz JVPLRZNIKDNFEK-CTNGQTDRSA-N 2 2 338.499 3.442 10 0 EGAELP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152972481 264792270 /nfs/dbraw/zinc/79/22/70/264792270.db2.gz JVPLRZNIKDNFEK-CTNGQTDRSA-N 2 2 338.499 3.442 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250268426 266263387 /nfs/dbraw/zinc/26/33/87/266263387.db2.gz KVNWRNIIUHVKPN-DLBZAZTESA-N 2 2 337.305 3.380 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250268426 266263390 /nfs/dbraw/zinc/26/33/90/266263390.db2.gz KVNWRNIIUHVKPN-DLBZAZTESA-N 2 2 337.305 3.380 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269661875 266336060 /nfs/dbraw/zinc/33/60/60/266336060.db2.gz ULPWHKRRDJZLAE-IAGOWNOFSA-N 2 2 343.471 3.152 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[N@@H+]1C1CC1 ZINC000358753891 274393654 /nfs/dbraw/zinc/39/36/54/274393654.db2.gz LYEZLDWWIUYBIF-JXXFODFXSA-N 2 2 336.483 3.465 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[N@H+]1C1CC1 ZINC000358753891 274393655 /nfs/dbraw/zinc/39/36/55/274393655.db2.gz LYEZLDWWIUYBIF-JXXFODFXSA-N 2 2 336.483 3.465 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279729835 275354001 /nfs/dbraw/zinc/35/40/01/275354001.db2.gz NMOMXOMMVICKTM-SFHVURJKSA-N 2 2 337.458 3.226 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279729835 275354003 /nfs/dbraw/zinc/35/40/03/275354003.db2.gz NMOMXOMMVICKTM-SFHVURJKSA-N 2 2 337.458 3.226 10 0 EGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408707 275374372 /nfs/dbraw/zinc/37/43/72/275374372.db2.gz GEJCMHZGFAQSPF-YGRLFVJLSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408707 275374373 /nfs/dbraw/zinc/37/43/73/275374373.db2.gz GEJCMHZGFAQSPF-YGRLFVJLSA-N 2 2 332.245 3.307 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630768 276301305 /nfs/dbraw/zinc/30/13/05/276301305.db2.gz JJQSTGXXXHJGQI-ZIFCJYIRSA-N 2 2 340.471 3.128 10 0 EGAELP CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106630768 276301307 /nfs/dbraw/zinc/30/13/07/276301307.db2.gz JJQSTGXXXHJGQI-ZIFCJYIRSA-N 2 2 340.471 3.128 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000340572685 278172488 /nfs/dbraw/zinc/17/24/88/278172488.db2.gz MJHJREGYMAKMIX-OAHLLOKOSA-N 2 2 339.574 3.072 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000340572685 278172490 /nfs/dbraw/zinc/17/24/90/278172490.db2.gz MJHJREGYMAKMIX-OAHLLOKOSA-N 2 2 339.574 3.072 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000414107928 309061415 /nfs/dbraw/zinc/06/14/15/309061415.db2.gz SUXJLCBRSYQUSL-CVAIRZPRSA-N 2 2 325.456 3.056 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000414107928 309061416 /nfs/dbraw/zinc/06/14/16/309061416.db2.gz SUXJLCBRSYQUSL-CVAIRZPRSA-N 2 2 325.456 3.056 10 0 EGAELP Cc1cc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)sc1Br ZINC000414126682 309062376 /nfs/dbraw/zinc/06/23/76/309062376.db2.gz ORGWWFZFJVDEKM-JTQLQIEISA-N 2 2 328.279 3.446 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000414157105 309063794 /nfs/dbraw/zinc/06/37/94/309063794.db2.gz XLVZKYDIHJJWFH-BXTJHSDWSA-N 2 2 329.488 3.244 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)n1C ZINC000414359588 309075209 /nfs/dbraw/zinc/07/52/09/309075209.db2.gz ORMCRWOXYWOVPI-GFCCVEGCSA-N 2 2 341.242 3.016 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401176 308001987 /nfs/dbraw/zinc/00/19/87/308001987.db2.gz LONHLQTYEODROP-GUYCJALGSA-N 2 2 338.879 3.289 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401176 308001989 /nfs/dbraw/zinc/00/19/89/308001989.db2.gz LONHLQTYEODROP-GUYCJALGSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401176 308001991 /nfs/dbraw/zinc/00/19/91/308001991.db2.gz LONHLQTYEODROP-GUYCJALGSA-N 2 2 338.879 3.289 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000248401176 308001993 /nfs/dbraw/zinc/00/19/93/308001993.db2.gz LONHLQTYEODROP-GUYCJALGSA-N 2 2 338.879 3.289 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248608124 308007153 /nfs/dbraw/zinc/00/71/53/308007153.db2.gz VXGUTBPRMFCFSZ-HAGHYFMRSA-N 2 2 349.563 3.074 10 0 EGAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248608124 308007155 /nfs/dbraw/zinc/00/71/55/308007155.db2.gz VXGUTBPRMFCFSZ-HAGHYFMRSA-N 2 2 349.563 3.074 10 0 EGAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839293 309104816 /nfs/dbraw/zinc/10/48/16/309104816.db2.gz VXYZQUYPNFRHKR-QAPCUYQASA-N 2 2 325.456 3.256 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)c(Br)c2)c1 ZINC000313256594 308764866 /nfs/dbraw/zinc/76/48/66/308764866.db2.gz ZDMWVKFCUCFSDB-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414907476 309108481 /nfs/dbraw/zinc/10/84/81/309108481.db2.gz AUBDRFQKDMTRFR-SKDRFNHKSA-N 2 2 349.219 3.138 10 0 EGAELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000415016706 309114451 /nfs/dbraw/zinc/11/44/51/309114451.db2.gz ONSABCWLNAJICD-ZJUUUORDSA-N 2 2 340.290 3.398 10 0 EGAELP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051755 309116538 /nfs/dbraw/zinc/11/65/38/309116538.db2.gz MLPGXWWQAKYJPF-ZBFHGGJFSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415051755 309116539 /nfs/dbraw/zinc/11/65/39/309116539.db2.gz MLPGXWWQAKYJPF-ZBFHGGJFSA-N 2 2 338.879 3.321 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417362083 309203004 /nfs/dbraw/zinc/20/30/04/309203004.db2.gz ZSVIWSCNNROBTE-NSHDSACASA-N 2 2 329.257 3.203 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000419258542 309262415 /nfs/dbraw/zinc/26/24/15/309262415.db2.gz BROADNSNOXBRBZ-INIZCTEOSA-N 2 2 329.488 3.237 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420368028 309284582 /nfs/dbraw/zinc/28/45/82/309284582.db2.gz KGPPZZRQNUTGAA-FQEVSTJZSA-N 2 2 342.439 3.185 10 0 EGAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420368028 309284583 /nfs/dbraw/zinc/28/45/83/309284583.db2.gz KGPPZZRQNUTGAA-FQEVSTJZSA-N 2 2 342.439 3.185 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](O)C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422705140 309364051 /nfs/dbraw/zinc/36/40/51/309364051.db2.gz QYQCHCZYESQRNT-AQNXPRMDSA-N 2 2 332.488 3.019 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422782887 309368163 /nfs/dbraw/zinc/36/81/63/309368163.db2.gz NPUORUFFEIQFQS-HAGHYFMRSA-N 2 2 344.499 3.426 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2csc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819956 309370095 /nfs/dbraw/zinc/37/00/95/309370095.db2.gz ONRRIBOYZAXHDT-ROUUACIJSA-N 2 2 331.485 3.086 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000423004349 309380356 /nfs/dbraw/zinc/38/03/56/309380356.db2.gz ORNAHJWCFMHWQX-AFMYVXGZSA-N 3 2 326.488 3.348 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423006657 309380671 /nfs/dbraw/zinc/38/06/71/309380671.db2.gz OTZSZWNTZAILEV-VQTJNVASSA-N 2 2 346.515 3.411 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H]2CCO[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423035891 309382232 /nfs/dbraw/zinc/38/22/32/309382232.db2.gz SIUDUAJMICULAL-FIYPYCPBSA-N 2 2 332.488 3.283 10 0 EGAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1F ZINC000423044615 309382851 /nfs/dbraw/zinc/38/28/51/309382851.db2.gz BRLSEFVVOILEFU-RDJZCZTQSA-N 2 2 340.870 3.113 10 0 EGAELP Clc1ccc(CCCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000423105106 309386154 /nfs/dbraw/zinc/38/61/54/309386154.db2.gz NCTHPMCUSALYQN-GOEBONIOSA-N 2 2 328.909 3.081 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2cccc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000423110502 309386492 /nfs/dbraw/zinc/38/64/92/309386492.db2.gz UWGFZNWUFTVRRK-NHCUHLMSSA-N 2 2 339.483 3.414 10 0 EGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423122293 309386929 /nfs/dbraw/zinc/38/69/29/309386929.db2.gz CBKFVKZKQQRTNA-WOSRLPQWSA-N 2 2 326.893 3.136 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H]2COc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423122839 309386952 /nfs/dbraw/zinc/38/69/52/309386952.db2.gz LFOARCAUTWJIES-LRQRDZAKSA-N 2 2 338.451 3.254 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423193363 309389923 /nfs/dbraw/zinc/38/99/23/309389923.db2.gz XGJLOAUPFKZVKX-LJQANCHMSA-N 2 2 341.455 3.073 10 0 EGAELP Cc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CCC2)o1 ZINC000423232788 309391640 /nfs/dbraw/zinc/39/16/40/309391640.db2.gz NHMGNMPHIKZDMJ-LJQANCHMSA-N 2 2 326.444 3.346 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1NC(C)=O ZINC000423249364 309392176 /nfs/dbraw/zinc/39/21/76/309392176.db2.gz SVLPSXWYDGTBKG-DYVFJYSZSA-N 2 2 327.428 3.004 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1Br ZINC000423365607 309397174 /nfs/dbraw/zinc/39/71/74/309397174.db2.gz KOUDLTRMFWPSKY-JGVFFNPUSA-N 2 2 336.071 3.209 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423561105 309406394 /nfs/dbraw/zinc/40/63/94/309406394.db2.gz PSZBEHLTNXYQDK-QAPCUYQASA-N 2 2 332.492 3.353 10 0 EGAELP Cc1[nH+]c2cc(NCc3c[nH+]cn3C(C)C)ccc2n1[C@H](C)CO ZINC000424169341 309431805 /nfs/dbraw/zinc/43/18/05/309431805.db2.gz JPBKLXGKHKWWPP-CYBMUJFWSA-N 2 2 327.432 3.288 10 0 EGAELP CCOCCCn1c2ccccc2[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424727574 309453727 /nfs/dbraw/zinc/45/37/27/309453727.db2.gz WGVMZBOOXSGXSX-UHFFFAOYSA-N 2 2 341.459 3.274 10 0 EGAELP C[N@H+](Cc1cccc2ccoc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000449024544 310030378 /nfs/dbraw/zinc/03/03/78/310030378.db2.gz BRLXEFGPQYYBQC-UHFFFAOYSA-N 2 2 338.455 3.226 10 0 EGAELP C[N@@H+](Cc1cccc2ccoc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000449024544 310030379 /nfs/dbraw/zinc/03/03/79/310030379.db2.gz BRLXEFGPQYYBQC-UHFFFAOYSA-N 2 2 338.455 3.226 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449028120 310030523 /nfs/dbraw/zinc/03/05/23/310030523.db2.gz KFEVMEFRAHFJOM-KSSFIOAISA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449028120 310030524 /nfs/dbraw/zinc/03/05/24/310030524.db2.gz KFEVMEFRAHFJOM-KSSFIOAISA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028120 310030525 /nfs/dbraw/zinc/03/05/25/310030525.db2.gz KFEVMEFRAHFJOM-KSSFIOAISA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028120 310030526 /nfs/dbraw/zinc/03/05/26/310030526.db2.gz KFEVMEFRAHFJOM-KSSFIOAISA-N 2 2 330.451 3.141 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000449351401 310056166 /nfs/dbraw/zinc/05/61/66/310056166.db2.gz PAWBMHNTCONAKA-LJQANCHMSA-N 2 2 348.462 3.210 10 0 EGAELP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394328 310058420 /nfs/dbraw/zinc/05/84/20/310058420.db2.gz NQONTXDYESYMJQ-YOEHRIQHSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394328 310058421 /nfs/dbraw/zinc/05/84/21/310058421.db2.gz NQONTXDYESYMJQ-YOEHRIQHSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393112 310058496 /nfs/dbraw/zinc/05/84/96/310058496.db2.gz AYPFIDZYNDLQHS-GOEBONIOSA-N 2 2 344.421 3.073 10 0 EGAELP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393112 310058497 /nfs/dbraw/zinc/05/84/97/310058497.db2.gz AYPFIDZYNDLQHS-GOEBONIOSA-N 2 2 344.421 3.073 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000449520158 310068871 /nfs/dbraw/zinc/06/88/71/310068871.db2.gz DLGWRXRRQKCCFI-QEEYODRMSA-N 2 2 329.488 3.244 10 0 EGAELP Cc1ccc(CCC[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c[nH+]1 ZINC000449666105 310078993 /nfs/dbraw/zinc/07/89/93/310078993.db2.gz ONPBTZCUFKKBMM-CQSZACIVSA-N 2 2 329.410 3.139 10 0 EGAELP Cc1ccc(CCC[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c[nH+]1 ZINC000449666105 310078994 /nfs/dbraw/zinc/07/89/94/310078994.db2.gz ONPBTZCUFKKBMM-CQSZACIVSA-N 2 2 329.410 3.139 10 0 EGAELP CN(C)c1nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450252881 310111244 /nfs/dbraw/zinc/11/12/44/310111244.db2.gz LBFQEFQJCDRLNI-UHFFFAOYSA-N 2 2 339.487 3.008 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450697180 310137893 /nfs/dbraw/zinc/13/78/93/310137893.db2.gz MOFAYTHPMXBBAN-PBHICJAKSA-N 2 2 342.512 3.416 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450697180 310137894 /nfs/dbraw/zinc/13/78/94/310137894.db2.gz MOFAYTHPMXBBAN-PBHICJAKSA-N 2 2 342.512 3.416 10 0 EGAELP COC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075852 310210434 /nfs/dbraw/zinc/21/04/34/310210434.db2.gz BFKBHESUZUDYLZ-NHCUHLMSSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000452075852 310210435 /nfs/dbraw/zinc/21/04/35/310210435.db2.gz BFKBHESUZUDYLZ-NHCUHLMSSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075852 310210436 /nfs/dbraw/zinc/21/04/36/310210436.db2.gz BFKBHESUZUDYLZ-NHCUHLMSSA-N 2 2 346.515 3.026 10 0 EGAELP COC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000452075852 310210437 /nfs/dbraw/zinc/21/04/37/310210437.db2.gz BFKBHESUZUDYLZ-NHCUHLMSSA-N 2 2 346.515 3.026 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270242 310268265 /nfs/dbraw/zinc/26/82/65/310268265.db2.gz SDNMKILYXCBASD-DYESRHJHSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270242 310268266 /nfs/dbraw/zinc/26/82/66/310268266.db2.gz SDNMKILYXCBASD-DYESRHJHSA-N 2 2 339.483 3.246 10 0 EGAELP COC(=O)c1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000491058284 311162217 /nfs/dbraw/zinc/16/22/17/311162217.db2.gz GDMUMXCZXDEHIO-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP COC(=O)c1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1C ZINC000491058284 311162218 /nfs/dbraw/zinc/16/22/18/311162218.db2.gz GDMUMXCZXDEHIO-KRWDZBQOSA-N 2 2 348.487 3.463 10 0 EGAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064702 311163080 /nfs/dbraw/zinc/16/30/80/311163080.db2.gz ZCWDQVXZLVEKGQ-AQNXPRMDSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064702 311163081 /nfs/dbraw/zinc/16/30/81/311163081.db2.gz ZCWDQVXZLVEKGQ-AQNXPRMDSA-N 2 2 349.563 3.269 10 0 EGAELP Cc1nc2ccc(C[NH2+]CCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2s1 ZINC000494356712 311472231 /nfs/dbraw/zinc/47/22/31/311472231.db2.gz FTSUAPWIJOSZTB-KBPBESRZSA-N 2 2 333.501 3.194 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000516073276 312307449 /nfs/dbraw/zinc/30/74/49/312307449.db2.gz OVQKKVSBQOJZQX-UHFFFAOYSA-N 2 2 342.430 3.105 10 0 EGAELP C[C@H](CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000528726739 313156805 /nfs/dbraw/zinc/15/68/05/313156805.db2.gz LGDHSJAUUMPAQO-LJQANCHMSA-N 2 2 346.515 3.169 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(F)cc1OC ZINC000529569259 313358024 /nfs/dbraw/zinc/35/80/24/313358024.db2.gz MOBVNUGZQWEDRC-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(F)cc1OC ZINC000529569259 313358029 /nfs/dbraw/zinc/35/80/29/313358029.db2.gz MOBVNUGZQWEDRC-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)cc1OC ZINC000529569259 313358032 /nfs/dbraw/zinc/35/80/32/313358032.db2.gz MOBVNUGZQWEDRC-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1OC ZINC000529569259 313358035 /nfs/dbraw/zinc/35/80/35/313358035.db2.gz MOBVNUGZQWEDRC-WMLDXEAASA-N 2 2 336.451 3.149 10 0 EGAELP Cc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000529665489 313380869 /nfs/dbraw/zinc/38/08/69/313380869.db2.gz YUMHOIXZERQHFK-UHFFFAOYSA-N 2 2 339.483 3.230 10 0 EGAELP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216948 313499183 /nfs/dbraw/zinc/49/91/83/313499183.db2.gz QYQBOROPVOCMIJ-OXQOHEQNSA-N 3 2 345.531 3.472 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000536607276 314129055 /nfs/dbraw/zinc/12/90/55/314129055.db2.gz CDZHSXGEGBLIDR-KDOFPFPSSA-N 2 2 344.434 3.242 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000536607276 314129057 /nfs/dbraw/zinc/12/90/57/314129057.db2.gz CDZHSXGEGBLIDR-KDOFPFPSSA-N 2 2 344.434 3.242 10 0 EGAELP COc1cccc([C@H]2[C@@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000537572856 314189510 /nfs/dbraw/zinc/18/95/10/314189510.db2.gz SJSAEYIFLPPAAI-ROUUACIJSA-N 2 2 349.438 3.356 10 0 EGAELP COc1cccc([C@H]2[C@@H](Nc3[nH+]cnc4[nH]ccc43)CC[N@H+]2C2CC2)c1 ZINC000537572856 314189514 /nfs/dbraw/zinc/18/95/14/314189514.db2.gz SJSAEYIFLPPAAI-ROUUACIJSA-N 2 2 349.438 3.356 10 0 EGAELP CCc1cccc(F)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000552129640 315200005 /nfs/dbraw/zinc/20/00/05/315200005.db2.gz BTJKHTZQZUGNFY-JWTNVVGKSA-N 2 2 334.479 3.462 10 0 EGAELP CCc1cccc(F)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000552129640 315200008 /nfs/dbraw/zinc/20/00/08/315200008.db2.gz BTJKHTZQZUGNFY-JWTNVVGKSA-N 2 2 334.479 3.462 10 0 EGAELP CCc1cccc(F)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000552129640 315200010 /nfs/dbraw/zinc/20/00/10/315200010.db2.gz BTJKHTZQZUGNFY-JWTNVVGKSA-N 2 2 334.479 3.462 10 0 EGAELP CCc1cccc(F)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000552129640 315200013 /nfs/dbraw/zinc/20/00/13/315200013.db2.gz BTJKHTZQZUGNFY-JWTNVVGKSA-N 2 2 334.479 3.462 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4ccccc4C3)c2cc1C ZINC000552911454 315237096 /nfs/dbraw/zinc/23/70/96/315237096.db2.gz AWOJISJGRNJHBV-WOJBJXKFSA-N 2 2 349.478 3.161 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000564823738 316212421 /nfs/dbraw/zinc/21/24/21/316212421.db2.gz AKXJFYCVEZGAAI-LIRRHRJNSA-N 2 2 341.430 3.166 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000565363352 316314630 /nfs/dbraw/zinc/31/46/30/316314630.db2.gz QPRBXXWJYZNSMU-IBGZPJMESA-N 2 2 348.450 3.227 10 0 EGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000565363352 316314634 /nfs/dbraw/zinc/31/46/34/316314634.db2.gz QPRBXXWJYZNSMU-IBGZPJMESA-N 2 2 348.450 3.227 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212648 317022919 /nfs/dbraw/zinc/02/29/19/317022919.db2.gz VVPGPJSUZPPILU-AZUAARDMSA-N 3 2 338.499 3.306 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212648 317022921 /nfs/dbraw/zinc/02/29/21/317022921.db2.gz VVPGPJSUZPPILU-AZUAARDMSA-N 3 2 338.499 3.306 10 0 EGAELP c1c2cccnc2oc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000571032046 317141556 /nfs/dbraw/zinc/14/15/56/317141556.db2.gz KEUKOBCXZFPMDB-UHFFFAOYSA-N 2 2 343.471 3.200 10 0 EGAELP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCCC1 ZINC000572203803 317304720 /nfs/dbraw/zinc/30/47/20/317304720.db2.gz SMOMKQMFHWFFHR-OXJNMPFZSA-N 2 2 342.462 3.417 10 0 EGAELP Cc1[nH]c(CNc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)[nH+]c1C ZINC000572663205 317372174 /nfs/dbraw/zinc/37/21/74/317372174.db2.gz HZLIMFDWEZKONI-ZIAGYGMSSA-N 2 2 328.460 3.248 10 0 EGAELP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000171502488 323238286 /nfs/dbraw/zinc/23/82/86/323238286.db2.gz DPEYZYOGFHUTSL-MRXNPFEDSA-N 2 2 334.460 3.154 10 0 EGAELP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000171502488 323238290 /nfs/dbraw/zinc/23/82/90/323238290.db2.gz DPEYZYOGFHUTSL-MRXNPFEDSA-N 2 2 334.460 3.154 10 0 EGAELP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000350597508 324101471 /nfs/dbraw/zinc/10/14/71/324101471.db2.gz BHQNSEAZPZVXGB-GASCZTMLSA-N 2 2 337.427 3.354 10 0 EGAELP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000350597508 324101477 /nfs/dbraw/zinc/10/14/77/324101477.db2.gz BHQNSEAZPZVXGB-GASCZTMLSA-N 2 2 337.427 3.354 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC000580008666 325188338 /nfs/dbraw/zinc/18/83/38/325188338.db2.gz VHCLZCVAMPTSED-NVXWUHKLSA-N 2 2 337.508 3.199 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC000580008666 325188342 /nfs/dbraw/zinc/18/83/42/325188342.db2.gz VHCLZCVAMPTSED-NVXWUHKLSA-N 2 2 337.508 3.199 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1C ZINC000581082584 325328859 /nfs/dbraw/zinc/32/88/59/325328859.db2.gz LBJZVVCJLJZLSH-SJORKVTESA-N 2 2 336.842 3.056 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158161014 455275683 /nfs/dbraw/zinc/27/56/83/455275683.db2.gz FYMIWAUPCLKFKX-KDURUIRLSA-N 2 2 342.491 3.277 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158161014 455275689 /nfs/dbraw/zinc/27/56/89/455275689.db2.gz FYMIWAUPCLKFKX-KDURUIRLSA-N 2 2 342.491 3.277 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158161014 455275692 /nfs/dbraw/zinc/27/56/92/455275692.db2.gz FYMIWAUPCLKFKX-KDURUIRLSA-N 2 2 342.491 3.277 10 0 EGAELP c1n[nH]cc1[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158161014 455275698 /nfs/dbraw/zinc/27/56/98/455275698.db2.gz FYMIWAUPCLKFKX-KDURUIRLSA-N 2 2 342.491 3.277 10 0 EGAELP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190476837 455327343 /nfs/dbraw/zinc/32/73/43/455327343.db2.gz BZEXFFVUJBFAHQ-SFHVURJKSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190476837 455327347 /nfs/dbraw/zinc/32/73/47/455327347.db2.gz BZEXFFVUJBFAHQ-SFHVURJKSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190476837 455327352 /nfs/dbraw/zinc/32/73/52/455327352.db2.gz BZEXFFVUJBFAHQ-SFHVURJKSA-N 2 2 325.456 3.044 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190476837 455327356 /nfs/dbraw/zinc/32/73/56/455327356.db2.gz BZEXFFVUJBFAHQ-SFHVURJKSA-N 2 2 325.456 3.044 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475657 460569715 /nfs/dbraw/zinc/56/97/15/460569715.db2.gz WZCLUAWSLOGNPO-GJZGRUSLSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475657 460569723 /nfs/dbraw/zinc/56/97/23/460569723.db2.gz WZCLUAWSLOGNPO-GJZGRUSLSA-N 2 2 330.394 3.201 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600712929 460574712 /nfs/dbraw/zinc/57/47/12/460574712.db2.gz ZPLNORRGAOZVTH-HIFRSBDPSA-N 2 2 332.444 3.016 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000631835595 460577284 /nfs/dbraw/zinc/57/72/84/460577284.db2.gz VPEUREFCFAPJDC-GOSISDBHSA-N 2 2 325.456 3.364 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000631835595 460577292 /nfs/dbraw/zinc/57/72/92/460577292.db2.gz VPEUREFCFAPJDC-GOSISDBHSA-N 2 2 325.456 3.364 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889670 460589100 /nfs/dbraw/zinc/58/91/00/460589100.db2.gz LEBCCHISJXULNC-ZFWWWQNUSA-N 2 2 328.378 3.202 10 0 EGAELP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889670 460589105 /nfs/dbraw/zinc/58/91/05/460589105.db2.gz LEBCCHISJXULNC-ZFWWWQNUSA-N 2 2 328.378 3.202 10 0 EGAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cccs3)CC2)c1C ZINC000067226879 453912636 /nfs/dbraw/zinc/91/26/36/453912636.db2.gz MSFMZPMNIAZZIB-UHFFFAOYSA-N 2 2 331.485 3.086 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000040672952 453954225 /nfs/dbraw/zinc/95/42/25/453954225.db2.gz SMRUJWXOVCPGCE-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000040672952 453954227 /nfs/dbraw/zinc/95/42/27/453954227.db2.gz SMRUJWXOVCPGCE-RISCZKNCSA-N 2 2 344.240 3.036 10 0 EGAELP Clc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc2c1OCCCO2 ZINC000089884727 454225790 /nfs/dbraw/zinc/22/57/90/454225790.db2.gz OLCXFWVAMVWXAX-CQSZACIVSA-N 2 2 347.846 3.365 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@H](C)C1 ZINC000078332898 454233518 /nfs/dbraw/zinc/23/35/18/454233518.db2.gz QKOJXKCAJBRMBB-PBHICJAKSA-N 2 2 325.460 3.014 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[C@H](C)C1 ZINC000078332898 454233521 /nfs/dbraw/zinc/23/35/21/454233521.db2.gz QKOJXKCAJBRMBB-PBHICJAKSA-N 2 2 325.460 3.014 10 0 EGAELP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(Cl)s3)CC2)C[C@H](C)O1 ZINC000078688189 454298856 /nfs/dbraw/zinc/29/88/56/454298856.db2.gz UMICPTOLQSRGGX-BETUJISGSA-N 2 2 343.924 3.118 10 0 EGAELP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(Cl)s3)CC2)C[C@H](C)O1 ZINC000078688189 454298859 /nfs/dbraw/zinc/29/88/59/454298859.db2.gz UMICPTOLQSRGGX-BETUJISGSA-N 2 2 343.924 3.118 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728350 455436923 /nfs/dbraw/zinc/43/69/23/455436923.db2.gz DGSVDHLZWQVLEM-CQSZACIVSA-N 2 2 349.910 3.385 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728350 455436927 /nfs/dbraw/zinc/43/69/27/455436927.db2.gz DGSVDHLZWQVLEM-CQSZACIVSA-N 2 2 349.910 3.385 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000090916501 454349956 /nfs/dbraw/zinc/34/99/56/454349956.db2.gz XAMRMSZOPLRPDU-YRXWBPOGSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000090916501 454349963 /nfs/dbraw/zinc/34/99/63/454349963.db2.gz XAMRMSZOPLRPDU-YRXWBPOGSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000090916501 454349968 /nfs/dbraw/zinc/34/99/68/454349968.db2.gz XAMRMSZOPLRPDU-YRXWBPOGSA-N 2 2 333.907 3.302 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000090916501 454349972 /nfs/dbraw/zinc/34/99/72/454349972.db2.gz XAMRMSZOPLRPDU-YRXWBPOGSA-N 2 2 333.907 3.302 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623614417 460640951 /nfs/dbraw/zinc/64/09/51/460640951.db2.gz DXOCQWNNHWKCIR-LPHOPBHVSA-N 2 2 329.488 3.400 10 0 EGAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623614417 460640956 /nfs/dbraw/zinc/64/09/56/460640956.db2.gz DXOCQWNNHWKCIR-LPHOPBHVSA-N 2 2 329.488 3.400 10 0 EGAELP CN(C)c1cc[nH+]cc1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121791482 454477292 /nfs/dbraw/zinc/47/72/92/454477292.db2.gz NJNNGFBRXAFIQV-NRFANRHFSA-N 2 2 338.499 3.292 10 0 EGAELP CN(C)c1cc[nH+]cc1CNC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121791482 454477295 /nfs/dbraw/zinc/47/72/95/454477295.db2.gz NJNNGFBRXAFIQV-NRFANRHFSA-N 2 2 338.499 3.292 10 0 EGAELP C[C@H]1C[NH+](Cc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)C[C@H](C)O1 ZINC000606157839 460639762 /nfs/dbraw/zinc/63/97/62/460639762.db2.gz PHESYOPYFZFZNT-KBPBESRZSA-N 2 2 337.427 3.311 10 0 EGAELP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000048749542 454512587 /nfs/dbraw/zinc/51/25/87/454512587.db2.gz WHJOFDVMZFXSDA-UHFFFAOYSA-N 2 2 342.414 3.309 10 0 EGAELP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623615352 460642274 /nfs/dbraw/zinc/64/22/74/460642274.db2.gz ZXRSEYUJJRLBKA-PZJWPPBQSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623615352 460642281 /nfs/dbraw/zinc/64/22/81/460642281.db2.gz ZXRSEYUJJRLBKA-PZJWPPBQSA-N 2 2 344.499 3.351 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000105896559 454666006 /nfs/dbraw/zinc/66/60/06/454666006.db2.gz ZPNWLHGDUWAEAR-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000105896559 454666012 /nfs/dbraw/zinc/66/60/12/454666012.db2.gz ZPNWLHGDUWAEAR-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000105918608 454669404 /nfs/dbraw/zinc/66/94/04/454669404.db2.gz VTBVRXGPQAAHFD-UHFFFAOYSA-N 2 2 326.400 3.123 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000106215120 454685596 /nfs/dbraw/zinc/68/55/96/454685596.db2.gz IBEYMIAJLHXCOY-WMLDXEAASA-N 2 2 344.434 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000106215120 454685597 /nfs/dbraw/zinc/68/55/97/454685597.db2.gz IBEYMIAJLHXCOY-WMLDXEAASA-N 2 2 344.434 3.249 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000153237493 454774046 /nfs/dbraw/zinc/77/40/46/454774046.db2.gz ZOTSPMADYGCSOW-KBPBESRZSA-N 2 2 330.394 3.324 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000163307127 454838051 /nfs/dbraw/zinc/83/80/51/454838051.db2.gz BTBDBLCCHLAHPC-NWDGAFQWSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000163307127 454838055 /nfs/dbraw/zinc/83/80/55/454838055.db2.gz BTBDBLCCHLAHPC-NWDGAFQWSA-N 2 2 347.322 3.272 10 0 EGAELP CCC[NH+](CCC)CCCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112663825 454894698 /nfs/dbraw/zinc/89/46/98/454894698.db2.gz CTFTVEZYDCBEOQ-UHFFFAOYSA-N 2 2 348.535 3.330 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000246434063 455490034 /nfs/dbraw/zinc/49/00/34/455490034.db2.gz OCOFRZZWBRNLDA-JFIYKMOQSA-N 2 2 339.487 3.269 10 0 EGAELP C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178391141 454953683 /nfs/dbraw/zinc/95/36/83/454953683.db2.gz BCJDEXIIAOXAEO-OAHLLOKOSA-N 2 2 339.277 3.347 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287607 454964033 /nfs/dbraw/zinc/96/40/33/454964033.db2.gz WQYKNPMNJPQUNI-GOEBONIOSA-N 2 2 340.920 3.313 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156466038 455121639 /nfs/dbraw/zinc/12/16/39/455121639.db2.gz PUVPWUPXFSQYLU-DWRORGKVSA-N 2 2 340.471 3.032 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000156466038 455121642 /nfs/dbraw/zinc/12/16/42/455121642.db2.gz PUVPWUPXFSQYLU-DWRORGKVSA-N 2 2 340.471 3.032 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421399 455294539 /nfs/dbraw/zinc/29/45/39/455294539.db2.gz HXTAYRCDDFYERX-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421399 455294545 /nfs/dbraw/zinc/29/45/45/455294545.db2.gz HXTAYRCDDFYERX-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421399 455294550 /nfs/dbraw/zinc/29/45/50/455294550.db2.gz HXTAYRCDDFYERX-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245421399 455294554 /nfs/dbraw/zinc/29/45/54/455294554.db2.gz HXTAYRCDDFYERX-ICSRJNTNSA-N 2 2 345.531 3.086 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000190461166 455322824 /nfs/dbraw/zinc/32/28/24/455322824.db2.gz DJPLYLZTGPVVFT-INIZCTEOSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2)C1 ZINC000190461166 455322827 /nfs/dbraw/zinc/32/28/27/455322827.db2.gz DJPLYLZTGPVVFT-INIZCTEOSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000190461166 455322833 /nfs/dbraw/zinc/32/28/33/455322833.db2.gz DJPLYLZTGPVVFT-INIZCTEOSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000190461166 455322837 /nfs/dbraw/zinc/32/28/37/455322837.db2.gz DJPLYLZTGPVVFT-INIZCTEOSA-N 2 2 331.485 3.111 10 0 EGAELP Cc1csc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000190466695 455324558 /nfs/dbraw/zinc/32/45/58/455324558.db2.gz IPLGUNIWLJLUSW-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000190466695 455324561 /nfs/dbraw/zinc/32/45/61/455324561.db2.gz IPLGUNIWLJLUSW-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)n1 ZINC000190466695 455324565 /nfs/dbraw/zinc/32/45/65/455324565.db2.gz IPLGUNIWLJLUSW-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1csc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)n1 ZINC000190466695 455324569 /nfs/dbraw/zinc/32/45/69/455324569.db2.gz IPLGUNIWLJLUSW-CQSZACIVSA-N 2 2 336.530 3.170 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190467738 455325636 /nfs/dbraw/zinc/32/56/36/455325636.db2.gz PJRLUFKGELRJFA-GOSISDBHSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190467738 455325640 /nfs/dbraw/zinc/32/56/40/455325640.db2.gz PJRLUFKGELRJFA-GOSISDBHSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190467738 455325643 /nfs/dbraw/zinc/32/56/43/455325643.db2.gz PJRLUFKGELRJFA-GOSISDBHSA-N 2 2 329.513 3.448 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000190467738 455325648 /nfs/dbraw/zinc/32/56/48/455325648.db2.gz PJRLUFKGELRJFA-GOSISDBHSA-N 2 2 329.513 3.448 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181675571 455371099 /nfs/dbraw/zinc/37/10/99/455371099.db2.gz QDMKGIDUJDICFH-GOEBONIOSA-N 2 2 332.444 3.203 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181675571 455371103 /nfs/dbraw/zinc/37/11/03/455371103.db2.gz QDMKGIDUJDICFH-GOEBONIOSA-N 2 2 332.444 3.203 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000174285830 455377098 /nfs/dbraw/zinc/37/70/98/455377098.db2.gz OUCIGBOKZWQFON-DLBZAZTESA-N 2 2 325.460 3.228 10 0 EGAELP COC(=O)c1occc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000182477321 455521097 /nfs/dbraw/zinc/52/10/97/455521097.db2.gz AYVYFYRJFCKXKJ-CYBMUJFWSA-N 2 2 325.368 3.103 10 0 EGAELP Fc1ccc2oc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000247023643 455545265 /nfs/dbraw/zinc/54/52/65/455545265.db2.gz YANPHYROKPOWDW-GUYCJALGSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000247023643 455545269 /nfs/dbraw/zinc/54/52/69/455545269.db2.gz YANPHYROKPOWDW-GUYCJALGSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000247023643 455545272 /nfs/dbraw/zinc/54/52/72/455545272.db2.gz YANPHYROKPOWDW-GUYCJALGSA-N 2 2 329.419 3.416 10 0 EGAELP Fc1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000247023643 455545277 /nfs/dbraw/zinc/54/52/77/455545277.db2.gz YANPHYROKPOWDW-GUYCJALGSA-N 2 2 329.419 3.416 10 0 EGAELP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000247128489 455564236 /nfs/dbraw/zinc/56/42/36/455564236.db2.gz SEGWPUHBAGBDBK-CJNGLKHVSA-N 2 2 334.489 3.410 10 0 EGAELP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000247128489 455564241 /nfs/dbraw/zinc/56/42/41/455564241.db2.gz SEGWPUHBAGBDBK-CJNGLKHVSA-N 2 2 334.489 3.410 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247165793 455568243 /nfs/dbraw/zinc/56/82/43/455568243.db2.gz YDXZGPQMTSPEDK-PBHICJAKSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247165793 455568244 /nfs/dbraw/zinc/56/82/44/455568244.db2.gz YDXZGPQMTSPEDK-PBHICJAKSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192172427 455568998 /nfs/dbraw/zinc/56/89/98/455568998.db2.gz XQGWAEDYIROMNZ-YOEHRIQHSA-N 2 2 325.412 3.009 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247440147 455600969 /nfs/dbraw/zinc/60/09/69/455600969.db2.gz ITCMSUIJOHNJMV-VQIMIIECSA-N 2 2 329.444 3.244 10 0 EGAELP COc1ccc(OCCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247440147 455600970 /nfs/dbraw/zinc/60/09/70/455600970.db2.gz ITCMSUIJOHNJMV-VQIMIIECSA-N 2 2 329.444 3.244 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247450938 455602291 /nfs/dbraw/zinc/60/22/91/455602291.db2.gz ZKYLQESIEKYBTF-QAPCUYQASA-N 2 2 340.471 3.330 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247450938 455602295 /nfs/dbraw/zinc/60/22/95/455602295.db2.gz ZKYLQESIEKYBTF-QAPCUYQASA-N 2 2 340.471 3.330 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573727 455689111 /nfs/dbraw/zinc/68/91/11/455689111.db2.gz ZBCUEEQQHWYEGS-PXNSSMCTSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573727 455689115 /nfs/dbraw/zinc/68/91/15/455689115.db2.gz ZBCUEEQQHWYEGS-PXNSSMCTSA-N 2 2 338.499 3.148 10 0 EGAELP CC[NH+]1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000268715254 455711806 /nfs/dbraw/zinc/71/18/06/455711806.db2.gz ILRZDUNQNRURFO-HNNXBMFYSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852438 455716068 /nfs/dbraw/zinc/71/60/68/455716068.db2.gz QDUWMXZETSJXSZ-HAFPXEGZSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000268852438 455716072 /nfs/dbraw/zinc/71/60/72/455716072.db2.gz QDUWMXZETSJXSZ-HAFPXEGZSA-N 2 2 336.479 3.145 10 0 EGAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)CC2 ZINC000626857601 460688220 /nfs/dbraw/zinc/68/82/20/460688220.db2.gz XETVTHAJAYJIKW-CYBMUJFWSA-N 2 2 346.862 3.108 10 0 EGAELP Cc1csc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)n1 ZINC000272015339 455821535 /nfs/dbraw/zinc/82/15/35/455821535.db2.gz WRXKIRLZVCOZJZ-UHFFFAOYSA-N 2 2 328.485 3.484 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602012 455911440 /nfs/dbraw/zinc/91/14/40/455911440.db2.gz AMRZWVHWGPGWLA-BMFZPTHFSA-N 2 2 328.460 3.102 10 0 EGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602012 455911443 /nfs/dbraw/zinc/91/14/43/455911443.db2.gz AMRZWVHWGPGWLA-BMFZPTHFSA-N 2 2 328.460 3.102 10 0 EGAELP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582959 460701582 /nfs/dbraw/zinc/70/15/82/460701582.db2.gz KBBDDUPJBABJSM-GJZGRUSLSA-N 2 2 343.475 3.212 10 0 EGAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583517 460701634 /nfs/dbraw/zinc/70/16/34/460701634.db2.gz DVIACERBSWMRTO-HNNXBMFYSA-N 2 2 343.475 3.356 10 0 EGAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583517 460701637 /nfs/dbraw/zinc/70/16/37/460701637.db2.gz DVIACERBSWMRTO-HNNXBMFYSA-N 2 2 343.475 3.356 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261989323 455982558 /nfs/dbraw/zinc/98/25/58/455982558.db2.gz KDNKZIGHVJJPGL-OALUTQOASA-N 2 2 337.458 3.033 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261989323 455982565 /nfs/dbraw/zinc/98/25/65/455982565.db2.gz KDNKZIGHVJJPGL-OALUTQOASA-N 2 2 337.458 3.033 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000188779648 456134932 /nfs/dbraw/zinc/13/49/32/456134932.db2.gz NROFBVHQLUNHEA-LBPRGKRZSA-N 2 2 331.382 3.158 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000301757815 456207703 /nfs/dbraw/zinc/20/77/03/456207703.db2.gz OHTLMZCWXLTSNM-JYJNAYRXSA-N 2 2 339.524 3.094 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000301757815 456207712 /nfs/dbraw/zinc/20/77/12/456207712.db2.gz OHTLMZCWXLTSNM-JYJNAYRXSA-N 2 2 339.524 3.094 10 0 EGAELP CCc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000189182401 456247805 /nfs/dbraw/zinc/24/78/05/456247805.db2.gz ZZVLQZNVQMFOOO-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP CCc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000189182401 456247807 /nfs/dbraw/zinc/24/78/07/456247807.db2.gz ZZVLQZNVQMFOOO-UHFFFAOYSA-N 2 2 326.488 3.042 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000347794529 456370906 /nfs/dbraw/zinc/37/09/06/456370906.db2.gz WOSDUIKWTFDZGK-OAHLLOKOSA-N 2 2 345.468 3.271 10 0 EGAELP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000347794529 456370915 /nfs/dbraw/zinc/37/09/15/456370915.db2.gz WOSDUIKWTFDZGK-OAHLLOKOSA-N 2 2 345.468 3.271 10 0 EGAELP C[N@@H+]1CCC[C@H](CNc2nc[nH+]c(N)c2Cl)[C@@H]1c1cccs1 ZINC000302914016 456436180 /nfs/dbraw/zinc/43/61/80/456436180.db2.gz UXXYIDKNYRLPNQ-ZWNOBZJWSA-N 2 2 337.880 3.269 10 0 EGAELP C[N@H+]1CCC[C@H](CNc2nc[nH+]c(N)c2Cl)[C@@H]1c1cccs1 ZINC000302914016 456436187 /nfs/dbraw/zinc/43/61/87/456436187.db2.gz UXXYIDKNYRLPNQ-ZWNOBZJWSA-N 2 2 337.880 3.269 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000282729797 456607277 /nfs/dbraw/zinc/60/72/77/456607277.db2.gz DJSKPHCRVMXQNX-PBHICJAKSA-N 2 2 341.484 3.428 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000282729797 456607282 /nfs/dbraw/zinc/60/72/82/456607282.db2.gz DJSKPHCRVMXQNX-PBHICJAKSA-N 2 2 341.484 3.428 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282886865 456655643 /nfs/dbraw/zinc/65/56/43/456655643.db2.gz YXVOGBCKWSZRFO-INIZCTEOSA-N 2 2 328.435 3.442 10 0 EGAELP Cc1nc(F)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282886865 456655647 /nfs/dbraw/zinc/65/56/47/456655647.db2.gz YXVOGBCKWSZRFO-INIZCTEOSA-N 2 2 328.435 3.442 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000343566894 456711352 /nfs/dbraw/zinc/71/13/52/456711352.db2.gz LFTLYPNGWZWEPZ-RDJZCZTQSA-N 2 2 341.455 3.312 10 0 EGAELP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000343566894 456711357 /nfs/dbraw/zinc/71/13/57/456711357.db2.gz LFTLYPNGWZWEPZ-RDJZCZTQSA-N 2 2 341.455 3.312 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353797581 456910882 /nfs/dbraw/zinc/91/08/82/456910882.db2.gz RPJXABWIGJPVHU-OAHLLOKOSA-N 2 2 328.485 3.123 10 0 EGAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353797581 456910886 /nfs/dbraw/zinc/91/08/86/456910886.db2.gz RPJXABWIGJPVHU-OAHLLOKOSA-N 2 2 328.485 3.123 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974769 456986219 /nfs/dbraw/zinc/98/62/19/456986219.db2.gz IVMVNLKCIHWXBV-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974769 456986222 /nfs/dbraw/zinc/98/62/22/456986222.db2.gz IVMVNLKCIHWXBV-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974769 456986224 /nfs/dbraw/zinc/98/62/24/456986224.db2.gz IVMVNLKCIHWXBV-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000353974769 456986226 /nfs/dbraw/zinc/98/62/26/456986226.db2.gz IVMVNLKCIHWXBV-HNNXBMFYSA-N 2 2 330.501 3.369 10 0 EGAELP Cc1[nH+]ccn1CC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000346273777 457029089 /nfs/dbraw/zinc/02/90/89/457029089.db2.gz IBCGAAFMQWATCO-UHFFFAOYSA-N 2 2 335.455 3.301 10 0 EGAELP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572985 457051578 /nfs/dbraw/zinc/05/15/78/457051578.db2.gz YPXIQEHTZMNPFP-OXJNMPFZSA-N 2 2 342.462 3.415 10 0 EGAELP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346572985 457051585 /nfs/dbraw/zinc/05/15/85/457051585.db2.gz YPXIQEHTZMNPFP-OXJNMPFZSA-N 2 2 342.462 3.415 10 0 EGAELP O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356900646 457207238 /nfs/dbraw/zinc/20/72/38/457207238.db2.gz OULAPUVELRESOB-ZBFHGGJFSA-N 2 2 336.442 3.324 10 0 EGAELP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000386126484 457430009 /nfs/dbraw/zinc/43/00/09/457430009.db2.gz NFXIOXBGCHCNPI-INIZCTEOSA-N 2 2 326.469 3.017 10 0 EGAELP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000386126484 457430012 /nfs/dbraw/zinc/43/00/12/457430012.db2.gz NFXIOXBGCHCNPI-INIZCTEOSA-N 2 2 326.469 3.017 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700597 457439162 /nfs/dbraw/zinc/43/91/62/457439162.db2.gz SZBINCTUYIEEFZ-XCDJFROHSA-N 3 2 327.516 3.302 10 0 EGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700597 457439169 /nfs/dbraw/zinc/43/91/69/457439169.db2.gz SZBINCTUYIEEFZ-XCDJFROHSA-N 3 2 327.516 3.302 10 0 EGAELP COC(=O)c1cc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc2o1 ZINC000374197037 457517894 /nfs/dbraw/zinc/51/78/94/457517894.db2.gz AJRSJFDQYNUCLQ-UHFFFAOYSA-N 2 2 339.395 3.322 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C2 ZINC000370166065 457570593 /nfs/dbraw/zinc/57/05/93/457570593.db2.gz XZAIPLJDASKCGX-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)CC2 ZINC000370166065 457570599 /nfs/dbraw/zinc/57/05/99/457570599.db2.gz XZAIPLJDASKCGX-OAHLLOKOSA-N 2 2 346.519 3.019 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000356327437 457571789 /nfs/dbraw/zinc/57/17/89/457571789.db2.gz YVNCJQQKFSZEJG-UHFFFAOYSA-N 2 2 349.837 3.247 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738908 457572092 /nfs/dbraw/zinc/57/20/92/457572092.db2.gz VJZZOPUDZTZFFP-LBPRGKRZSA-N 2 2 335.521 3.315 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000361323996 457692819 /nfs/dbraw/zinc/69/28/19/457692819.db2.gz KSIQWZMZBYFLPS-UHFFFAOYSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000361323996 457692823 /nfs/dbraw/zinc/69/28/23/457692823.db2.gz KSIQWZMZBYFLPS-UHFFFAOYSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000361388237 457714808 /nfs/dbraw/zinc/71/48/08/457714808.db2.gz DNBVJFVSBUJWLJ-FQEVSTJZSA-N 2 2 343.471 3.006 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000361388237 457714811 /nfs/dbraw/zinc/71/48/11/457714811.db2.gz DNBVJFVSBUJWLJ-FQEVSTJZSA-N 2 2 343.471 3.006 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000361464199 457739757 /nfs/dbraw/zinc/73/97/57/457739757.db2.gz PPPVRRDVKMQKNI-PXNSSMCTSA-N 2 2 331.504 3.088 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000361464199 457739760 /nfs/dbraw/zinc/73/97/60/457739760.db2.gz PPPVRRDVKMQKNI-PXNSSMCTSA-N 2 2 331.504 3.088 10 0 EGAELP c1cc(-c2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)o2)n[nH]1 ZINC000433320954 457810681 /nfs/dbraw/zinc/81/06/81/457810681.db2.gz WEKKIFSQURTTKM-UHFFFAOYSA-N 2 2 333.395 3.204 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000361868667 457917878 /nfs/dbraw/zinc/91/78/78/457917878.db2.gz OHCBZSIWHBCBRL-OALUTQOASA-N 2 2 327.472 3.410 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000361868667 457917884 /nfs/dbraw/zinc/91/78/84/457917884.db2.gz OHCBZSIWHBCBRL-OALUTQOASA-N 2 2 327.472 3.410 10 0 EGAELP c1csc(-c2noc(CCC[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)c1 ZINC000434977072 458072392 /nfs/dbraw/zinc/07/23/92/458072392.db2.gz OPMBUXYNUGMNHB-UHFFFAOYSA-N 2 2 343.456 3.333 10 0 EGAELP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000445817951 458093815 /nfs/dbraw/zinc/09/38/15/458093815.db2.gz HVFJEYWKABIUSK-HKUYNNGSSA-N 2 2 326.488 3.236 10 0 EGAELP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000445817951 458093820 /nfs/dbraw/zinc/09/38/20/458093820.db2.gz HVFJEYWKABIUSK-HKUYNNGSSA-N 2 2 326.488 3.236 10 0 EGAELP CCN(CC)c1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c[nH+]1 ZINC000358619107 458111806 /nfs/dbraw/zinc/11/18/06/458111806.db2.gz WTMVVMISSXJUIM-UHFFFAOYSA-N 2 2 346.519 3.056 10 0 EGAELP Cc1ccsc1[C@@H](CO)[NH2+]Cc1c[nH+]cn1Cc1ccccc1 ZINC000445996038 458126264 /nfs/dbraw/zinc/12/62/64/458126264.db2.gz NWZQPLKILRNKCX-QGZVFWFLSA-N 2 2 327.453 3.125 10 0 EGAELP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975346 458244403 /nfs/dbraw/zinc/24/44/03/458244403.db2.gz HUEAJWMITWSLDH-WIYYLYMNSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000428975346 458244407 /nfs/dbraw/zinc/24/44/07/458244407.db2.gz HUEAJWMITWSLDH-WIYYLYMNSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975346 458244412 /nfs/dbraw/zinc/24/44/12/458244412.db2.gz HUEAJWMITWSLDH-WIYYLYMNSA-N 2 2 336.483 3.444 10 0 EGAELP Cc1cnc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000428975346 458244415 /nfs/dbraw/zinc/24/44/15/458244415.db2.gz HUEAJWMITWSLDH-WIYYLYMNSA-N 2 2 336.483 3.444 10 0 EGAELP COC1(C[C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000429417832 458331476 /nfs/dbraw/zinc/33/14/76/458331476.db2.gz HPQWBWVRFMBTMS-GOSISDBHSA-N 2 2 338.536 3.206 10 0 EGAELP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000459533320 458402042 /nfs/dbraw/zinc/40/20/42/458402042.db2.gz SWWCLTJHNSKNIL-UHFFFAOYSA-N 3 2 345.453 3.008 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423506760 458445981 /nfs/dbraw/zinc/44/59/81/458445981.db2.gz PJBGEAYFAIHDKY-YWZLYKJASA-N 2 2 335.455 3.180 10 0 EGAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)o2)n[nH]1 ZINC000377102798 458462652 /nfs/dbraw/zinc/46/26/52/458462652.db2.gz KNUKELVDBHFJGK-UHFFFAOYSA-N 2 2 336.439 3.424 10 0 EGAELP CC(C)[NH+]1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373487415 458507273 /nfs/dbraw/zinc/50/72/73/458507273.db2.gz BYWAZWPFCCEXQI-UHFFFAOYSA-N 3 2 347.469 3.254 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C2 ZINC000373535719 458522485 /nfs/dbraw/zinc/52/24/85/458522485.db2.gz SSEVCKXTQJMYQG-OAHLLOKOSA-N 2 2 340.471 3.338 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)CC2 ZINC000373535719 458522490 /nfs/dbraw/zinc/52/24/90/458522490.db2.gz SSEVCKXTQJMYQG-OAHLLOKOSA-N 2 2 340.471 3.338 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304526 458611026 /nfs/dbraw/zinc/61/10/26/458611026.db2.gz QWPYBVJPLFKGRK-KTGXUMABSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424304526 458611028 /nfs/dbraw/zinc/61/10/28/458611028.db2.gz QWPYBVJPLFKGRK-KTGXUMABSA-N 2 2 328.500 3.443 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000546575854 458639525 /nfs/dbraw/zinc/63/95/25/458639525.db2.gz YXWOREIHWRRPFF-GOSISDBHSA-N 2 2 329.488 3.262 10 0 EGAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1 ZINC000546575854 458639531 /nfs/dbraw/zinc/63/95/31/458639531.db2.gz YXWOREIHWRRPFF-GOSISDBHSA-N 2 2 329.488 3.262 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000547313130 458717978 /nfs/dbraw/zinc/71/79/78/458717978.db2.gz AKVKKKAXKSWXQZ-SFHVURJKSA-N 2 2 332.488 3.267 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000547313130 458717982 /nfs/dbraw/zinc/71/79/82/458717982.db2.gz AKVKKKAXKSWXQZ-SFHVURJKSA-N 2 2 332.488 3.267 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530217864 458719340 /nfs/dbraw/zinc/71/93/40/458719340.db2.gz HRVYVMYPNMHBMT-XHDPSFHLSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984971 458853318 /nfs/dbraw/zinc/85/33/18/458853318.db2.gz CMSKCVIPBIINOH-OSAQELSMSA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984971 458853325 /nfs/dbraw/zinc/85/33/25/458853325.db2.gz CMSKCVIPBIINOH-OSAQELSMSA-N 2 2 328.287 3.112 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1OCc1ccncc1)C2 ZINC000576866581 458936910 /nfs/dbraw/zinc/93/69/10/458936910.db2.gz DFZBJIREKWCWQE-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1OCc1ccncc1)CC2 ZINC000576866581 458936914 /nfs/dbraw/zinc/93/69/14/458936914.db2.gz DFZBJIREKWCWQE-KRWDZBQOSA-N 2 2 334.423 3.031 10 0 EGAELP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc21 ZINC000566662787 458977238 /nfs/dbraw/zinc/97/72/38/458977238.db2.gz DSTFCUCHXMRGGV-IBGZPJMESA-N 2 2 347.422 3.069 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000577287808 459011305 /nfs/dbraw/zinc/01/13/05/459011305.db2.gz CBEQJWBQMLPDMC-UHFFFAOYSA-N 2 2 336.386 3.273 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200823 459046557 /nfs/dbraw/zinc/04/65/57/459046557.db2.gz CEQJZAFNBIRDLB-UTKZUKDTSA-N 2 2 335.495 3.289 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000532200823 459046559 /nfs/dbraw/zinc/04/65/59/459046559.db2.gz CEQJZAFNBIRDLB-UTKZUKDTSA-N 2 2 335.495 3.289 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000532467003 459093518 /nfs/dbraw/zinc/09/35/18/459093518.db2.gz OIOHIYAQPXPRIJ-DOMZBBRYSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000532467003 459093522 /nfs/dbraw/zinc/09/35/22/459093522.db2.gz OIOHIYAQPXPRIJ-DOMZBBRYSA-N 2 2 343.393 3.106 10 0 EGAELP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950299 459166497 /nfs/dbraw/zinc/16/64/97/459166497.db2.gz HDDHFXKIPIMQNS-RTBURBONSA-N 2 2 349.563 3.412 10 0 EGAELP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950299 459166500 /nfs/dbraw/zinc/16/65/00/459166500.db2.gz HDDHFXKIPIMQNS-RTBURBONSA-N 2 2 349.563 3.412 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000595014847 459215061 /nfs/dbraw/zinc/21/50/61/459215061.db2.gz UQRNLPBKFDGIHS-MRXNPFEDSA-N 2 2 347.503 3.004 10 0 EGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000480761574 459218363 /nfs/dbraw/zinc/21/83/63/459218363.db2.gz JKXZGKZGJUZITD-UAFMIMERSA-N 2 2 328.500 3.300 10 0 EGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000480761574 459218365 /nfs/dbraw/zinc/21/83/65/459218365.db2.gz JKXZGKZGJUZITD-UAFMIMERSA-N 2 2 328.500 3.300 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559751869 459276388 /nfs/dbraw/zinc/27/63/88/459276388.db2.gz CWSDWXHOPMUIDL-PKOBYXMFSA-N 2 2 336.907 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559751869 459276394 /nfs/dbraw/zinc/27/63/94/459276394.db2.gz CWSDWXHOPMUIDL-PKOBYXMFSA-N 2 2 336.907 3.362 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081392 459308285 /nfs/dbraw/zinc/30/82/85/459308285.db2.gz AXOOKFYAMXKHHU-CVEARBPZSA-N 2 2 349.438 3.095 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081392 459308290 /nfs/dbraw/zinc/30/82/90/459308290.db2.gz AXOOKFYAMXKHHU-CVEARBPZSA-N 2 2 349.438 3.095 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591082073 459310846 /nfs/dbraw/zinc/31/08/46/459310846.db2.gz CAAHBWKHGPXVJJ-MJGOQNOKSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591082073 459310847 /nfs/dbraw/zinc/31/08/47/459310847.db2.gz CAAHBWKHGPXVJJ-MJGOQNOKSA-N 2 2 340.471 3.014 10 0 EGAELP C[NH+](C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000569017705 459383312 /nfs/dbraw/zinc/38/33/12/459383312.db2.gz UZAQASCQTOZSPN-QGZVFWFLSA-N 2 2 346.862 3.072 10 0 EGAELP C[NH+](C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000569017705 459383317 /nfs/dbraw/zinc/38/33/17/459383317.db2.gz UZAQASCQTOZSPN-QGZVFWFLSA-N 2 2 346.862 3.072 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000569845955 459520958 /nfs/dbraw/zinc/52/09/58/459520958.db2.gz VWQPSBPHVGMKBW-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000569845955 459520966 /nfs/dbraw/zinc/52/09/66/459520966.db2.gz VWQPSBPHVGMKBW-LJQANCHMSA-N 2 2 337.467 3.377 10 0 EGAELP CN(CCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1cc[nH+]cc1 ZINC000542785510 459592896 /nfs/dbraw/zinc/59/28/96/459592896.db2.gz ZQVMPDHYBHMSAB-UHFFFAOYSA-N 2 2 349.438 3.311 10 0 EGAELP CCOc1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(F)cc1OC ZINC000527634636 459678601 /nfs/dbraw/zinc/67/86/01/459678601.db2.gz BVCDEFNARRHUHL-UHFFFAOYSA-N 2 2 343.402 3.213 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000563217563 459741876 /nfs/dbraw/zinc/74/18/76/459741876.db2.gz NPRXMMQODWRGEM-HUUCEWRRSA-N 2 2 337.427 3.206 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527806337 459743667 /nfs/dbraw/zinc/74/36/67/459743667.db2.gz JGKBEHKFGVFGIA-GOSISDBHSA-N 2 2 340.471 3.192 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527806337 459743670 /nfs/dbraw/zinc/74/36/70/459743670.db2.gz JGKBEHKFGVFGIA-GOSISDBHSA-N 2 2 340.471 3.192 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC(F)F ZINC000527807967 459744009 /nfs/dbraw/zinc/74/40/09/459744009.db2.gz OKXYQWFQTSTDOS-OAHLLOKOSA-N 2 2 340.414 3.403 10 0 EGAELP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1OC(F)F ZINC000527807967 459744013 /nfs/dbraw/zinc/74/40/13/459744013.db2.gz OKXYQWFQTSTDOS-OAHLLOKOSA-N 2 2 340.414 3.403 10 0 EGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811537 459746889 /nfs/dbraw/zinc/74/68/89/459746889.db2.gz KCMKIMGNRIWTAT-PKOBYXMFSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)C1 ZINC000527811537 459746892 /nfs/dbraw/zinc/74/68/92/459746892.db2.gz KCMKIMGNRIWTAT-PKOBYXMFSA-N 2 2 343.515 3.060 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006879 459794569 /nfs/dbraw/zinc/79/45/69/459794569.db2.gz AHVAMGKHWLVKPB-KBXCAEBGSA-N 2 2 345.487 3.321 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006879 459794571 /nfs/dbraw/zinc/79/45/71/459794571.db2.gz AHVAMGKHWLVKPB-KBXCAEBGSA-N 2 2 345.487 3.321 10 0 EGAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006909 459794688 /nfs/dbraw/zinc/79/46/88/459794688.db2.gz AIHXWHSRXIWJEK-WBVHZDCISA-N 2 2 326.488 3.491 10 0 EGAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006909 459794691 /nfs/dbraw/zinc/79/46/91/459794691.db2.gz AIHXWHSRXIWJEK-WBVHZDCISA-N 2 2 326.488 3.491 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006882 459794963 /nfs/dbraw/zinc/79/49/63/459794963.db2.gz AHVAMGKHWLVKPB-KDOFPFPSSA-N 2 2 345.487 3.321 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006882 459794970 /nfs/dbraw/zinc/79/49/70/459794970.db2.gz AHVAMGKHWLVKPB-KDOFPFPSSA-N 2 2 345.487 3.321 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000545240841 459815052 /nfs/dbraw/zinc/81/50/52/459815052.db2.gz VNZARDNBIDXJLY-KFWWJZLASA-N 2 2 326.444 3.382 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000574807804 459874631 /nfs/dbraw/zinc/87/46/31/459874631.db2.gz AJXZIRPYUSVDAQ-INIZCTEOSA-N 2 2 335.245 3.018 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000575320537 459959845 /nfs/dbraw/zinc/95/98/45/459959845.db2.gz YDFGIFXUIGZMTB-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000575320537 459959851 /nfs/dbraw/zinc/95/98/51/459959851.db2.gz YDFGIFXUIGZMTB-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n(CCc2ccccc2)n1 ZINC000621713335 460019429 /nfs/dbraw/zinc/01/94/29/460019429.db2.gz HDDPCBFBXGOCKY-UHFFFAOYSA-N 2 2 335.455 3.159 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784471 460263973 /nfs/dbraw/zinc/26/39/73/460263973.db2.gz AARQFADXTFWJFI-TZIWHRDSSA-N 2 2 339.483 3.005 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784471 460263979 /nfs/dbraw/zinc/26/39/79/460263979.db2.gz AARQFADXTFWJFI-TZIWHRDSSA-N 2 2 339.483 3.005 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCSCc2ccccc2)CC1 ZINC000599622116 460289912 /nfs/dbraw/zinc/28/99/12/460289912.db2.gz GXCXRJGWHWMYBK-UHFFFAOYSA-N 2 2 348.556 3.497 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000600128675 460394153 /nfs/dbraw/zinc/39/41/53/460394153.db2.gz ADHYQNVEYIJTGH-CXAGYDPISA-N 2 2 344.459 3.088 10 0 EGAELP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000600128675 460394159 /nfs/dbraw/zinc/39/41/59/460394159.db2.gz ADHYQNVEYIJTGH-CXAGYDPISA-N 2 2 344.459 3.088 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1(C)C ZINC000623363296 460511523 /nfs/dbraw/zinc/51/15/23/460511523.db2.gz LSXLMUPWDNWVGA-INIZCTEOSA-N 2 2 338.499 3.323 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1(C)C ZINC000623363296 460511528 /nfs/dbraw/zinc/51/15/28/460511528.db2.gz LSXLMUPWDNWVGA-INIZCTEOSA-N 2 2 338.499 3.323 10 0 EGAELP C[N@H+](CCC[NH3+])Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000629514613 460789888 /nfs/dbraw/zinc/78/98/88/460789888.db2.gz MFZNPMJWUILYAI-UHFFFAOYSA-N 2 2 331.313 3.280 10 0 EGAELP C[N@@H+](CCC[NH3+])Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000629514613 460789896 /nfs/dbraw/zinc/78/98/96/460789896.db2.gz MFZNPMJWUILYAI-UHFFFAOYSA-N 2 2 331.313 3.280 10 0 EGAELP Cc1cccc([C@@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(F)c2)c1 ZINC000629519893 460793103 /nfs/dbraw/zinc/79/31/03/460793103.db2.gz IMTRMVWSDMKLJG-LJQANCHMSA-N 2 2 328.431 3.321 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000629543570 460802698 /nfs/dbraw/zinc/80/26/98/460802698.db2.gz DENGFWGRVFGNBE-CXHZTBPHSA-N 2 2 336.451 3.175 10 0 EGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1([NH+](C)C)CC1 ZINC000624001722 460816957 /nfs/dbraw/zinc/81/69/57/460816957.db2.gz KDOVTJJAVMDNMC-SNVBAGLBSA-N 2 2 335.801 3.369 10 0 EGAELP Cc1[nH+]ccn1CCCN(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624056805 460839152 /nfs/dbraw/zinc/83/91/52/460839152.db2.gz OLONXKGEIGDIQO-UHFFFAOYSA-N 2 2 348.454 3.028 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656456 460850638 /nfs/dbraw/zinc/85/06/38/460850638.db2.gz OVPOFCKRTIJHIQ-YPMHNXCESA-N 2 2 335.439 3.301 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656456 460850640 /nfs/dbraw/zinc/85/06/40/460850640.db2.gz OVPOFCKRTIJHIQ-YPMHNXCESA-N 2 2 335.439 3.301 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188753 460901955 /nfs/dbraw/zinc/90/19/55/460901955.db2.gz AZXWWGSZMBZZKN-KDOFPFPSSA-N 2 2 333.451 3.149 10 0 EGAELP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188753 460901961 /nfs/dbraw/zinc/90/19/61/460901961.db2.gz AZXWWGSZMBZZKN-KDOFPFPSSA-N 2 2 333.451 3.149 10 0 EGAELP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000624189332 460903072 /nfs/dbraw/zinc/90/30/72/460903072.db2.gz FFLOKCPMVHCUEI-MAUKXSAKSA-N 2 2 345.487 3.019 10 0 EGAELP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000624189332 460903079 /nfs/dbraw/zinc/90/30/79/460903079.db2.gz FFLOKCPMVHCUEI-MAUKXSAKSA-N 2 2 345.487 3.019 10 0 EGAELP COCc1cc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)cs1 ZINC000629747832 460905385 /nfs/dbraw/zinc/90/53/85/460905385.db2.gz JGQMFEGWRATSND-UHFFFAOYSA-N 2 2 328.441 3.077 10 0 EGAELP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265204 461153693 /nfs/dbraw/zinc/15/36/93/461153693.db2.gz OBLFROUILOSTNK-IUODEOHRSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC(F)F ZINC000662265204 461153702 /nfs/dbraw/zinc/15/37/02/461153702.db2.gz OBLFROUILOSTNK-IUODEOHRSA-N 2 2 328.378 3.391 10 0 EGAELP [NH3+]C[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)C1CCCCC1 ZINC000662278234 461163587 /nfs/dbraw/zinc/16/35/87/461163587.db2.gz ZJLKPNVALDJLAE-CYBMUJFWSA-N 2 2 346.700 3.495 10 0 EGAELP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662307635 461180902 /nfs/dbraw/zinc/18/09/02/461180902.db2.gz OOAIFPVYYJYVSQ-IZINQKCZSA-N 2 2 335.451 3.423 10 0 EGAELP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662307635 461180907 /nfs/dbraw/zinc/18/09/07/461180907.db2.gz OOAIFPVYYJYVSQ-IZINQKCZSA-N 2 2 335.451 3.423 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cc1 ZINC000662320675 461190735 /nfs/dbraw/zinc/19/07/35/461190735.db2.gz VTOZVFJFISGHOI-SFHVURJKSA-N 2 2 343.471 3.193 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cc1 ZINC000662320675 461190746 /nfs/dbraw/zinc/19/07/46/461190746.db2.gz VTOZVFJFISGHOI-SFHVURJKSA-N 2 2 343.471 3.193 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662363064 461212051 /nfs/dbraw/zinc/21/20/51/461212051.db2.gz ZUEGDIYJCFYVMZ-KSSFIOAISA-N 2 2 335.398 3.425 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662363064 461212059 /nfs/dbraw/zinc/21/20/59/461212059.db2.gz ZUEGDIYJCFYVMZ-KSSFIOAISA-N 2 2 335.398 3.425 10 0 EGAELP CCCC[N@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCc2ncsc2C1 ZINC000668279173 461222876 /nfs/dbraw/zinc/22/28/76/461222876.db2.gz WIFFNLOIXNXXNW-CQSZACIVSA-N 2 2 330.501 3.445 10 0 EGAELP CCCC[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCc2ncsc2C1 ZINC000668279173 461222880 /nfs/dbraw/zinc/22/28/80/461222880.db2.gz WIFFNLOIXNXXNW-CQSZACIVSA-N 2 2 330.501 3.445 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655723846 461393199 /nfs/dbraw/zinc/39/31/99/461393199.db2.gz UPJDTPMAXCGLAW-MRXNPFEDSA-N 2 2 344.528 3.283 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655723846 461393207 /nfs/dbraw/zinc/39/32/07/461393207.db2.gz UPJDTPMAXCGLAW-MRXNPFEDSA-N 2 2 344.528 3.283 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CCO1 ZINC000668784252 461434137 /nfs/dbraw/zinc/43/41/37/461434137.db2.gz DRZXJLMJKSKWRB-LJQANCHMSA-N 2 2 332.488 3.018 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CCO1 ZINC000668784252 461434144 /nfs/dbraw/zinc/43/41/44/461434144.db2.gz DRZXJLMJKSKWRB-LJQANCHMSA-N 2 2 332.488 3.018 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647146872 461522959 /nfs/dbraw/zinc/52/29/59/461522959.db2.gz DPZXGOYNUYEYBI-CQSZACIVSA-N 2 2 325.416 3.039 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172460 461544065 /nfs/dbraw/zinc/54/40/65/461544065.db2.gz XPGLGXMZGABJPF-HKBOAZHASA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172460 461544071 /nfs/dbraw/zinc/54/40/71/461544071.db2.gz XPGLGXMZGABJPF-HKBOAZHASA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172460 461544074 /nfs/dbraw/zinc/54/40/74/461544074.db2.gz XPGLGXMZGABJPF-HKBOAZHASA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172460 461544081 /nfs/dbraw/zinc/54/40/81/461544081.db2.gz XPGLGXMZGABJPF-HKBOAZHASA-N 3 2 339.527 3.400 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2n(n1)CCCC2 ZINC000647284814 461612565 /nfs/dbraw/zinc/61/25/65/461612565.db2.gz JTPTXEDLMUQKGM-AWEZNQCLSA-N 2 2 339.418 3.395 10 0 EGAELP CN(c1nc(N2CCCC(C)(C)C2)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000656188052 461637991 /nfs/dbraw/zinc/63/79/91/461637991.db2.gz AMWYDCWLARQUEM-SJPCQFCGSA-N 2 2 343.519 3.164 10 0 EGAELP CN(c1nc(N2CCCC(C)(C)C2)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656188052 461637996 /nfs/dbraw/zinc/63/79/96/461637996.db2.gz AMWYDCWLARQUEM-SJPCQFCGSA-N 2 2 343.519 3.164 10 0 EGAELP Cc1c(Cl)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1C ZINC000643284576 461665881 /nfs/dbraw/zinc/66/58/81/461665881.db2.gz WETZXLLGOLEYKL-UHFFFAOYSA-N 2 2 338.927 3.470 10 0 EGAELP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OCc1cccs1 ZINC000663499023 461673455 /nfs/dbraw/zinc/67/34/55/461673455.db2.gz VKCUUKFTLRKHJA-UHFFFAOYSA-N 2 2 344.480 3.177 10 0 EGAELP COc1cc2cc[nH+]c(N3CC[C@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000663576796 461709704 /nfs/dbraw/zinc/70/97/04/461709704.db2.gz HFRZJXZXDLGWJQ-INIZCTEOSA-N 2 2 341.455 3.317 10 0 EGAELP COc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479526 461724846 /nfs/dbraw/zinc/72/48/46/461724846.db2.gz JVTJDPPRJUQCIL-ZFWWWQNUSA-N 2 2 331.485 3.269 10 0 EGAELP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479526 461724852 /nfs/dbraw/zinc/72/48/52/461724852.db2.gz JVTJDPPRJUQCIL-ZFWWWQNUSA-N 2 2 331.485 3.269 10 0 EGAELP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479675 461724948 /nfs/dbraw/zinc/72/49/48/461724948.db2.gz PLVSGERSBDJPCH-UKRRQHHQSA-N 2 2 328.378 3.391 10 0 EGAELP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000647479675 461724956 /nfs/dbraw/zinc/72/49/56/461724956.db2.gz PLVSGERSBDJPCH-UKRRQHHQSA-N 2 2 328.378 3.391 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401273 461734605 /nfs/dbraw/zinc/73/46/05/461734605.db2.gz CJEWUDYKUFJKOD-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401273 461734608 /nfs/dbraw/zinc/73/46/08/461734608.db2.gz CJEWUDYKUFJKOD-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401273 461734614 /nfs/dbraw/zinc/73/46/14/461734614.db2.gz CJEWUDYKUFJKOD-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656401273 461734621 /nfs/dbraw/zinc/73/46/21/461734621.db2.gz CJEWUDYKUFJKOD-LEAZDLGRSA-N 2 2 339.508 3.486 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702305 461849357 /nfs/dbraw/zinc/84/93/57/461849357.db2.gz OIYMMBQXJWULSE-IRXDYDNUSA-N 2 2 334.504 3.012 10 0 EGAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702305 461849366 /nfs/dbraw/zinc/84/93/66/461849366.db2.gz OIYMMBQXJWULSE-IRXDYDNUSA-N 2 2 334.504 3.012 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903280 461878848 /nfs/dbraw/zinc/87/88/48/461878848.db2.gz IPMFGSQLHBNKCY-RDTXWAMCSA-N 2 2 346.425 3.115 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903280 461878854 /nfs/dbraw/zinc/87/88/54/461878854.db2.gz IPMFGSQLHBNKCY-RDTXWAMCSA-N 2 2 346.425 3.115 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902742 461879253 /nfs/dbraw/zinc/87/92/53/461879253.db2.gz BPQXYLKPZVVRHK-FUHWJXTLSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902742 461879260 /nfs/dbraw/zinc/87/92/60/461879260.db2.gz BPQXYLKPZVVRHK-FUHWJXTLSA-N 2 2 341.455 3.314 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000656790463 461900590 /nfs/dbraw/zinc/90/05/90/461900590.db2.gz UIBKMMXEHHDZGL-PMACEKPBSA-N 2 2 342.487 3.098 10 0 EGAELP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)c1 ZINC000656791332 461900714 /nfs/dbraw/zinc/90/07/14/461900714.db2.gz YQTLRFAGOVNBRM-IEBWSBKVSA-N 2 2 344.430 3.078 10 0 EGAELP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000656792226 461903315 /nfs/dbraw/zinc/90/33/15/461903315.db2.gz SBFMYWZAFLADJE-MRXNPFEDSA-N 2 2 327.394 3.263 10 0 EGAELP Clc1ccc2[nH+]c(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)cn2c1 ZINC000656794351 461904362 /nfs/dbraw/zinc/90/43/62/461904362.db2.gz ZDQCFOGYMLLUTQ-KRWDZBQOSA-N 2 2 342.830 3.261 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956685 461908564 /nfs/dbraw/zinc/90/85/64/461908564.db2.gz WMOQHIKXCDSUKJ-MJGOQNOKSA-N 2 2 349.544 3.027 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000647956685 461908567 /nfs/dbraw/zinc/90/85/67/461908567.db2.gz WMOQHIKXCDSUKJ-MJGOQNOKSA-N 2 2 349.544 3.027 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011050 461938914 /nfs/dbraw/zinc/93/89/14/461938914.db2.gz BJOSKOLGZWWQFS-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011050 461938922 /nfs/dbraw/zinc/93/89/22/461938922.db2.gz BJOSKOLGZWWQFS-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011050 461938926 /nfs/dbraw/zinc/93/89/26/461938926.db2.gz BJOSKOLGZWWQFS-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000648011050 461938931 /nfs/dbraw/zinc/93/89/31/461938931.db2.gz BJOSKOLGZWWQFS-GOSISDBHSA-N 2 2 326.488 3.344 10 0 EGAELP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000644569389 461990206 /nfs/dbraw/zinc/99/02/06/461990206.db2.gz MYTNPRYHPIEPHB-ZWKOTPCHSA-N 2 2 334.504 3.014 10 0 EGAELP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCC(C)CC1 ZINC000657309998 462035284 /nfs/dbraw/zinc/03/52/84/462035284.db2.gz VKMVHDGMXMNWQX-HXUWFJFHSA-N 2 2 341.503 3.113 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1C1CCC1 ZINC000657336197 462053919 /nfs/dbraw/zinc/05/39/19/462053919.db2.gz YBANMWVUJSSWPP-SFHVURJKSA-N 2 2 339.487 3.005 10 0 EGAELP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nnn1C1CCC1 ZINC000657336197 462053923 /nfs/dbraw/zinc/05/39/23/462053923.db2.gz YBANMWVUJSSWPP-SFHVURJKSA-N 2 2 339.487 3.005 10 0 EGAELP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn2c1CCC2 ZINC000657338781 462057748 /nfs/dbraw/zinc/05/77/48/462057748.db2.gz UMYRDXUELRXXDF-UHFFFAOYSA-N 2 2 338.499 3.495 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000657524801 462166857 /nfs/dbraw/zinc/16/68/57/462166857.db2.gz RSJXLBILXSJZLW-HKUYNNGSSA-N 2 2 332.488 3.207 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000657524801 462166863 /nfs/dbraw/zinc/16/68/63/462166863.db2.gz RSJXLBILXSJZLW-HKUYNNGSSA-N 2 2 332.488 3.207 10 0 EGAELP Cc1ccccc1[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667648065 462190113 /nfs/dbraw/zinc/19/01/13/462190113.db2.gz KQPICNUDZWVUQV-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667648065 462190115 /nfs/dbraw/zinc/19/01/15/462190115.db2.gz KQPICNUDZWVUQV-FQEVSTJZSA-N 2 2 334.423 3.149 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000667667220 462202110 /nfs/dbraw/zinc/20/21/10/462202110.db2.gz HWJCBLWTOYEVQQ-RISCZKNCSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000667667220 462202118 /nfs/dbraw/zinc/20/21/18/462202118.db2.gz HWJCBLWTOYEVQQ-RISCZKNCSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000667667220 462202123 /nfs/dbraw/zinc/20/21/23/462202123.db2.gz HWJCBLWTOYEVQQ-RISCZKNCSA-N 2 2 326.282 3.067 10 0 EGAELP Cc1c(Br)cncc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000667667220 462202129 /nfs/dbraw/zinc/20/21/29/462202129.db2.gz HWJCBLWTOYEVQQ-RISCZKNCSA-N 2 2 326.282 3.067 10 0 EGAELP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676492 462299660 /nfs/dbraw/zinc/29/96/60/462299660.db2.gz BOGNGUAGTQFTAJ-KRWDZBQOSA-N 2 2 327.472 3.368 10 0 EGAELP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676492 462299662 /nfs/dbraw/zinc/29/96/62/462299662.db2.gz BOGNGUAGTQFTAJ-KRWDZBQOSA-N 2 2 327.472 3.368 10 0 EGAELP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C(F)F ZINC000657951842 462327127 /nfs/dbraw/zinc/32/71/27/462327127.db2.gz CPJCTZIWEZPVTI-TZMCWYRMSA-N 2 2 326.435 3.314 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000658002032 462342919 /nfs/dbraw/zinc/34/29/19/462342919.db2.gz FYZNDZVNZGIYQG-QUCCMNQESA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000658002032 462342923 /nfs/dbraw/zinc/34/29/23/462342923.db2.gz FYZNDZVNZGIYQG-QUCCMNQESA-N 2 2 338.536 3.205 10 0 EGAELP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651865688 462359630 /nfs/dbraw/zinc/35/96/30/462359630.db2.gz DMJBXYULTNGZIW-UHFFFAOYSA-N 3 2 331.548 3.261 10 0 EGAELP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651865688 462359635 /nfs/dbraw/zinc/35/96/35/462359635.db2.gz DMJBXYULTNGZIW-UHFFFAOYSA-N 3 2 331.548 3.261 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnn(CC)c2)cc1 ZINC000665255096 462372264 /nfs/dbraw/zinc/37/22/64/462372264.db2.gz IROZVKLNVLJRQY-YSSFQJQWSA-N 2 2 342.487 3.098 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnccc2C)cc1F ZINC000665259317 462373980 /nfs/dbraw/zinc/37/39/80/462373980.db2.gz BGXQDVDKEKWYRB-ALKREAHSSA-N 2 2 343.446 3.334 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277264 462381150 /nfs/dbraw/zinc/38/11/50/462381150.db2.gz XWUWDBWZBWHBRH-CEWLAPEOSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277264 462381156 /nfs/dbraw/zinc/38/11/56/462381156.db2.gz XWUWDBWZBWHBRH-CEWLAPEOSA-N 3 2 341.543 3.409 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccc(F)cc2)cc1 ZINC000665278902 462381491 /nfs/dbraw/zinc/38/14/91/462381491.db2.gz RGYSZUADWIQJCG-JEFDNNSCSA-N 2 2 326.415 3.265 10 0 EGAELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000665278068 462381872 /nfs/dbraw/zinc/38/18/72/462381872.db2.gz UNHVUUBTKFCGIV-VWZCOVNWSA-N 2 2 348.462 3.176 10 0 EGAELP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277439 462382100 /nfs/dbraw/zinc/38/21/00/462382100.db2.gz BJBKBEOFSHIBSZ-JBLLZRQOSA-N 2 2 341.680 3.431 10 0 EGAELP COC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096198 462382411 /nfs/dbraw/zinc/38/24/11/462382411.db2.gz PMMQZZKDXKHVBN-PMACEKPBSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000658096198 462382418 /nfs/dbraw/zinc/38/24/18/462382418.db2.gz PMMQZZKDXKHVBN-PMACEKPBSA-N 2 2 346.515 3.071 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)n1C ZINC000652042373 462415588 /nfs/dbraw/zinc/41/55/88/462415588.db2.gz BQDJWMCPHRQEOZ-UHFFFAOYSA-N 2 2 338.377 3.284 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000658339322 462480817 /nfs/dbraw/zinc/48/08/17/462480817.db2.gz QPLQGDFLRNMHES-IRXDYDNUSA-N 2 2 326.488 3.166 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345310 462484519 /nfs/dbraw/zinc/48/45/19/462484519.db2.gz XXWBKTPIXXPKAW-SJLPKXTDSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccs1 ZINC000658345310 462484523 /nfs/dbraw/zinc/48/45/23/462484523.db2.gz XXWBKTPIXXPKAW-SJLPKXTDSA-N 2 2 329.513 3.215 10 0 EGAELP O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000649372681 462490980 /nfs/dbraw/zinc/49/09/80/462490980.db2.gz GAMKTUKVIFBJGX-GOSISDBHSA-N 2 2 337.423 3.278 10 0 EGAELP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181900816 526352068 /nfs/dbraw/zinc/35/20/68/526352068.db2.gz UGUUTOREYNZJMV-MRXNPFEDSA-N 2 2 333.476 3.327 10 0 EGAELP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181900816 526352074 /nfs/dbraw/zinc/35/20/74/526352074.db2.gz UGUUTOREYNZJMV-MRXNPFEDSA-N 2 2 333.476 3.327 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781221 527830959 /nfs/dbraw/zinc/83/09/59/527830959.db2.gz JYJCIAWYBGWFDV-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781221 527830962 /nfs/dbraw/zinc/83/09/62/527830962.db2.gz JYJCIAWYBGWFDV-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781221 527830966 /nfs/dbraw/zinc/83/09/66/527830966.db2.gz JYJCIAWYBGWFDV-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781221 527830969 /nfs/dbraw/zinc/83/09/69/527830969.db2.gz JYJCIAWYBGWFDV-UZLBHIALSA-N 2 2 339.483 3.440 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894155 528208018 /nfs/dbraw/zinc/20/80/18/528208018.db2.gz FCVFGMHZCRUSGS-JKSUJKDBSA-N 2 2 328.460 3.218 10 0 EGAELP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000130279745 529223939 /nfs/dbraw/zinc/22/39/39/529223939.db2.gz SAFYQNBDWMDMGG-ZIAGYGMSSA-N 2 2 349.504 3.480 10 0 EGAELP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000130279745 529223940 /nfs/dbraw/zinc/22/39/40/529223940.db2.gz SAFYQNBDWMDMGG-ZIAGYGMSSA-N 2 2 349.504 3.480 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464485 534946474 /nfs/dbraw/zinc/94/64/74/534946474.db2.gz QJDMFSTWPABCEC-KXBFYZLASA-N 2 2 328.435 3.027 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464485 534946480 /nfs/dbraw/zinc/94/64/80/534946480.db2.gz QJDMFSTWPABCEC-KXBFYZLASA-N 2 2 328.435 3.027 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464483 534957108 /nfs/dbraw/zinc/95/71/08/534957108.db2.gz QJDMFSTWPABCEC-DNVCBOLYSA-N 2 2 328.435 3.027 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346464483 534957111 /nfs/dbraw/zinc/95/71/11/534957111.db2.gz QJDMFSTWPABCEC-DNVCBOLYSA-N 2 2 328.435 3.027 10 0 EGAELP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000178389884 534970117 /nfs/dbraw/zinc/97/01/17/534970117.db2.gz ZPCGBPLOHNUQSD-KRWDZBQOSA-N 2 2 347.551 3.415 10 0 EGAELP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000178389884 534970123 /nfs/dbraw/zinc/97/01/23/534970123.db2.gz ZPCGBPLOHNUQSD-KRWDZBQOSA-N 2 2 347.551 3.415 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975914 535451878 /nfs/dbraw/zinc/45/18/78/535451878.db2.gz IRFCDWBURJIRQI-NQIIRXRSSA-N 3 2 344.547 3.004 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975914 535451883 /nfs/dbraw/zinc/45/18/83/535451883.db2.gz IRFCDWBURJIRQI-NQIIRXRSSA-N 3 2 344.547 3.004 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095628 546604178 /nfs/dbraw/zinc/60/41/78/546604178.db2.gz AIIKKCHBWRRKSF-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095628 546604182 /nfs/dbraw/zinc/60/41/82/546604182.db2.gz AIIKKCHBWRRKSF-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095628 546604188 /nfs/dbraw/zinc/60/41/88/546604188.db2.gz AIIKKCHBWRRKSF-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095628 546604192 /nfs/dbraw/zinc/60/41/92/546604192.db2.gz AIIKKCHBWRRKSF-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP FC(F)(F)c1cccc([C@]2(F)CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000374630642 547811376 /nfs/dbraw/zinc/81/13/76/547811376.db2.gz YYYWCHLQTBPLNN-HNNXBMFYSA-N 2 2 327.325 3.473 10 0 EGAELP FC(F)(F)c1cccc([C@]2(F)CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000374630642 547811381 /nfs/dbraw/zinc/81/13/81/547811381.db2.gz YYYWCHLQTBPLNN-HNNXBMFYSA-N 2 2 327.325 3.473 10 0 EGAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414929505 547861809 /nfs/dbraw/zinc/86/18/09/547861809.db2.gz NZYSLBMIWZOJNT-XHDPSFHLSA-N 2 2 334.261 3.085 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000672225270 548410601 /nfs/dbraw/zinc/41/06/01/548410601.db2.gz HXEYZDQSYMCWDS-KRWDZBQOSA-N 2 2 348.454 3.206 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000672225270 548410604 /nfs/dbraw/zinc/41/06/04/548410604.db2.gz HXEYZDQSYMCWDS-KRWDZBQOSA-N 2 2 348.454 3.206 10 0 EGAELP C[C@H](CC1CCOCC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917807 549004218 /nfs/dbraw/zinc/00/42/18/549004218.db2.gz FCVCQZHNFVCBLO-VQIMIIECSA-N 2 2 327.472 3.499 10 0 EGAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CC(C)(C)C ZINC000677362236 549258186 /nfs/dbraw/zinc/25/81/86/549258186.db2.gz KSABMLDVRJOLTR-KAKFPZCNSA-N 2 2 349.563 3.218 10 0 EGAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CC(C)(C)C ZINC000677362236 549258188 /nfs/dbraw/zinc/25/81/88/549258188.db2.gz KSABMLDVRJOLTR-KAKFPZCNSA-N 2 2 349.563 3.218 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000679746941 549771101 /nfs/dbraw/zinc/77/11/01/549771101.db2.gz HNJKNTHSQGYQQS-UHFFFAOYSA-N 2 2 341.293 3.422 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000684366860 550320053 /nfs/dbraw/zinc/32/00/53/550320053.db2.gz CFXNUMWSYNGQHK-CTNGQTDRSA-N 2 2 345.531 3.054 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000684411908 550326553 /nfs/dbraw/zinc/32/65/53/550326553.db2.gz BELHOYXBKRGNKR-LMPOIIKSSA-N 2 2 334.426 3.339 10 0 EGAELP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684557932 550342762 /nfs/dbraw/zinc/34/27/62/550342762.db2.gz QNQAJQYZHCSWLC-FNBIGBAISA-N 2 2 330.398 3.174 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2[nH+]1 ZINC000727769875 574689806 /nfs/dbraw/zinc/68/98/06/574689806.db2.gz IHDPUEOTDDJVDG-OAHLLOKOSA-N 2 2 340.431 3.076 10 0 EGAELP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000743366660 576807131 /nfs/dbraw/zinc/80/71/31/576807131.db2.gz ZLLOAZIIAJBWCP-KRWDZBQOSA-N 2 2 344.846 3.105 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000103229228 1292997851 /nfs/dbraw/zinc/99/78/51/1292997851.db2.gz JSSKFRCWYHDYPJ-YLJYHZDGSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000103229228 1292997856 /nfs/dbraw/zinc/99/78/56/1292997856.db2.gz JSSKFRCWYHDYPJ-YLJYHZDGSA-N 2 2 334.479 3.447 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622269 1294351553 /nfs/dbraw/zinc/35/15/53/1294351553.db2.gz HIBFWRQXGZPJEW-APWZRJJASA-N 2 2 328.435 3.063 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622269 1294351562 /nfs/dbraw/zinc/35/15/62/1294351562.db2.gz HIBFWRQXGZPJEW-APWZRJJASA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622269 1294351566 /nfs/dbraw/zinc/35/15/66/1294351566.db2.gz HIBFWRQXGZPJEW-APWZRJJASA-N 2 2 328.435 3.063 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC000164622269 1294351572 /nfs/dbraw/zinc/35/15/72/1294351572.db2.gz HIBFWRQXGZPJEW-APWZRJJASA-N 2 2 328.435 3.063 10 0 EGAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000227005049 1296141836 /nfs/dbraw/zinc/14/18/36/1296141836.db2.gz UQDWAQPOCYBYAP-CJNGLKHVSA-N 2 2 325.294 3.452 10 0 EGAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000227005049 1296141834 /nfs/dbraw/zinc/14/18/34/1296141834.db2.gz UQDWAQPOCYBYAP-CJNGLKHVSA-N 2 2 325.294 3.452 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2cc1C(C)C ZINC000872153831 1296774352 /nfs/dbraw/zinc/77/43/52/1296774352.db2.gz IWKMRASUWAYLQR-HRAATJIYSA-N 2 2 340.467 3.266 10 0 EGAELP Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2cc1C(C)C ZINC000872153831 1296774363 /nfs/dbraw/zinc/77/43/63/1296774363.db2.gz IWKMRASUWAYLQR-HRAATJIYSA-N 2 2 340.467 3.266 10 0 EGAELP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000312105125 1297112576 /nfs/dbraw/zinc/11/25/76/1297112576.db2.gz JSJUTFFUUHMIFX-CYBMUJFWSA-N 2 2 327.266 3.019 10 0 EGAELP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000312105125 1297112590 /nfs/dbraw/zinc/11/25/90/1297112590.db2.gz JSJUTFFUUHMIFX-CYBMUJFWSA-N 2 2 327.266 3.019 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398084635 1297714044 /nfs/dbraw/zinc/71/40/44/1297714044.db2.gz HTKQUKOFWGHIBA-HNAYVOBHSA-N 2 2 342.439 3.066 10 0 EGAELP COC(=O)c1coc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398084635 1297714053 /nfs/dbraw/zinc/71/40/53/1297714053.db2.gz HTKQUKOFWGHIBA-HNAYVOBHSA-N 2 2 342.439 3.066 10 0 EGAELP Nc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705887429 1298216818 /nfs/dbraw/zinc/21/68/18/1298216818.db2.gz NBBZRWRYYBIOGI-ROUUACIJSA-N 2 2 341.886 3.486 10 0 EGAELP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783397 1309069119 /nfs/dbraw/zinc/06/91/19/1309069119.db2.gz SZUBALMNONPXJR-UKRRQHHQSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783397 1309069131 /nfs/dbraw/zinc/06/91/31/1309069131.db2.gz SZUBALMNONPXJR-UKRRQHHQSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783397 1309069142 /nfs/dbraw/zinc/06/91/42/1309069142.db2.gz SZUBALMNONPXJR-UKRRQHHQSA-N 2 2 338.517 3.475 10 0 EGAELP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783397 1309069152 /nfs/dbraw/zinc/06/91/52/1309069152.db2.gz SZUBALMNONPXJR-UKRRQHHQSA-N 2 2 338.517 3.475 10 0 EGAELP CCO[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1SC ZINC000895111150 1309195493 /nfs/dbraw/zinc/19/54/93/1309195493.db2.gz AAFCGPBXSOOTLQ-HBPKQKSZSA-N 2 2 335.517 3.067 10 0 EGAELP COC(=O)c1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895115190 1309196824 /nfs/dbraw/zinc/19/68/24/1309196824.db2.gz MIJBLNJBNNHXEU-SHTZXODSSA-N 2 2 345.468 3.206 10 0 EGAELP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558526 1309399869 /nfs/dbraw/zinc/39/98/69/1309399869.db2.gz XIEAIJBYJKRUGR-MRXNPFEDSA-N 2 2 333.439 3.182 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558526 1309399873 /nfs/dbraw/zinc/39/98/73/1309399873.db2.gz XIEAIJBYJKRUGR-MRXNPFEDSA-N 2 2 333.439 3.182 10 0 EGAELP CC[NH+](CC)Cc1cccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000895768796 1309511376 /nfs/dbraw/zinc/51/13/76/1309511376.db2.gz KOIFKYHESPZRTH-UHFFFAOYSA-N 2 2 342.487 3.085 10 0 EGAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CCF)C2)cc1 ZINC000898489041 1310757266 /nfs/dbraw/zinc/75/72/66/1310757266.db2.gz AIOIUVBVJHCOFD-LJQANCHMSA-N 2 2 349.494 3.082 10 0 EGAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CCF)C2)cc1 ZINC000898489041 1310757272 /nfs/dbraw/zinc/75/72/72/1310757272.db2.gz AIOIUVBVJHCOFD-LJQANCHMSA-N 2 2 349.494 3.082 10 0 EGAELP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898489041 1310757277 /nfs/dbraw/zinc/75/72/77/1310757277.db2.gz AIOIUVBVJHCOFD-LJQANCHMSA-N 2 2 349.494 3.082 10 0 EGAELP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898489041 1310757287 /nfs/dbraw/zinc/75/72/87/1310757287.db2.gz AIOIUVBVJHCOFD-LJQANCHMSA-N 2 2 349.494 3.082 10 0 EGAELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858283332 1328728515 /nfs/dbraw/zinc/72/85/15/1328728515.db2.gz GZIHDDBUDUTUNS-ZFCANOHDSA-N 2 2 331.504 3.123 10 0 EGAELP Cc1[nH]c(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000930518956 1328883904 /nfs/dbraw/zinc/88/39/04/1328883904.db2.gz PNBNPKLTMQLKHS-RDJZCZTQSA-N 2 2 336.842 3.354 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921920424 1322423026 /nfs/dbraw/zinc/42/30/26/1322423026.db2.gz NRSSJOYDDIOQPE-MRXNPFEDSA-N 2 2 339.487 3.318 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn(CCF)c2)c(C)c1 ZINC000921920640 1322423445 /nfs/dbraw/zinc/42/34/45/1322423445.db2.gz RHSUVUHAICCHJM-IBGZPJMESA-N 2 2 341.434 3.197 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c2ccccc12 ZINC000922950738 1322657770 /nfs/dbraw/zinc/65/77/70/1322657770.db2.gz PHDPJWBNHGGZIP-GOSISDBHSA-N 2 2 340.467 3.191 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c2ccccc12 ZINC000922950738 1322657773 /nfs/dbraw/zinc/65/77/73/1322657773.db2.gz PHDPJWBNHGGZIP-GOSISDBHSA-N 2 2 340.467 3.191 10 0 EGAELP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1C ZINC000922954070 1322659622 /nfs/dbraw/zinc/65/96/22/1322659622.db2.gz GJSITJWQAQQURF-LJQANCHMSA-N 2 2 346.515 3.101 10 0 EGAELP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1C ZINC000922954070 1322659624 /nfs/dbraw/zinc/65/96/24/1322659624.db2.gz GJSITJWQAQQURF-LJQANCHMSA-N 2 2 346.515 3.101 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c[nH+]1 ZINC000924626767 1323083293 /nfs/dbraw/zinc/08/32/93/1323083293.db2.gz XOKZZFAOXRZZSK-WOJBJXKFSA-N 2 2 325.456 3.226 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000925051138 1323257492 /nfs/dbraw/zinc/25/74/92/1323257492.db2.gz WHVZPBTUXASQSB-PMACEKPBSA-N 2 2 327.472 3.326 10 0 EGAELP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000925051138 1323257500 /nfs/dbraw/zinc/25/75/00/1323257500.db2.gz WHVZPBTUXASQSB-PMACEKPBSA-N 2 2 327.472 3.326 10 0 EGAELP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925093888 1323278354 /nfs/dbraw/zinc/27/83/54/1323278354.db2.gz MHEZYWHJDABBON-RDTXWAMCSA-N 2 2 349.906 3.203 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCOC2CCCCCC2)CC1 ZINC000860028085 1329130237 /nfs/dbraw/zinc/13/02/37/1329130237.db2.gz LFXLAOIXNIWKEH-UHFFFAOYSA-N 2 2 338.536 3.303 10 0 EGAELP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(COC[C@@H]2CCCO2)c1 ZINC000925715449 1325268381 /nfs/dbraw/zinc/26/83/81/1325268381.db2.gz DJCBZDKAGZKPCT-PMACEKPBSA-N 2 2 344.499 3.147 10 0 EGAELP [NH3+][C@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736035 1325276423 /nfs/dbraw/zinc/27/64/23/1325276423.db2.gz KAFTXLIGFVYKNK-YESZJQIVSA-N 2 2 347.256 3.217 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1nc2ccc(Cl)cc2n1C ZINC000925774854 1325294083 /nfs/dbraw/zinc/29/40/83/1325294083.db2.gz ACRGKQKXJXXRQK-MNOVXSKESA-N 2 2 342.821 3.122 10 0 EGAELP Fc1ccc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccn2)cc1 ZINC000925846033 1325327104 /nfs/dbraw/zinc/32/71/04/1325327104.db2.gz NDOLAYCFPRKBNQ-VAMGGRTRSA-N 2 2 325.431 3.432 10 0 EGAELP CC[C@@H](C[C@](C)(O)CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905974 1325352794 /nfs/dbraw/zinc/35/27/94/1325352794.db2.gz MTDBDTNRIIKHLT-OXJNMPFZSA-N 2 2 348.535 3.354 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324240 1325517291 /nfs/dbraw/zinc/51/72/91/1325517291.db2.gz DEFOSTFQMKVCAQ-HKUYNNGSSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324240 1325517297 /nfs/dbraw/zinc/51/72/97/1325517297.db2.gz DEFOSTFQMKVCAQ-HKUYNNGSSA-N 2 2 338.499 3.392 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000926450917 1325558999 /nfs/dbraw/zinc/55/89/99/1325558999.db2.gz TWLSBKBKPWWABN-FZMZJTMJSA-N 2 2 347.260 3.092 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C2 ZINC000926451007 1325559239 /nfs/dbraw/zinc/55/92/39/1325559239.db2.gz VCMYMCJEIWQIKC-MOPGFXCFSA-N 2 2 332.451 3.106 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)n(C)n1 ZINC000926764024 1327705614 /nfs/dbraw/zinc/70/56/14/1327705614.db2.gz ZPHJWXFDOULRQL-ILZDJORESA-N 2 2 330.520 3.046 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)n(C)n1 ZINC000926764024 1327705620 /nfs/dbraw/zinc/70/56/20/1327705620.db2.gz ZPHJWXFDOULRQL-ILZDJORESA-N 2 2 330.520 3.046 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926947002 1327789260 /nfs/dbraw/zinc/78/92/60/1327789260.db2.gz BPHXBPFBRDJHQP-WMHQRMGPSA-N 2 2 327.394 3.080 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926947002 1327789268 /nfs/dbraw/zinc/78/92/68/1327789268.db2.gz BPHXBPFBRDJHQP-WMHQRMGPSA-N 2 2 327.394 3.080 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000926957158 1327795662 /nfs/dbraw/zinc/79/56/62/1327795662.db2.gz GILDEMSSBATJJQ-VQTJNVASSA-N 2 2 328.500 3.446 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000926957158 1327795668 /nfs/dbraw/zinc/79/56/68/1327795668.db2.gz GILDEMSSBATJJQ-VQTJNVASSA-N 2 2 328.500 3.446 10 0 EGAELP COC1([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)CCC1 ZINC000926961138 1327799393 /nfs/dbraw/zinc/79/93/93/1327799393.db2.gz WLELYHAJUFLNFD-SFHVURJKSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)CCC1 ZINC000926961138 1327799398 /nfs/dbraw/zinc/79/93/98/1327799398.db2.gz WLELYHAJUFLNFD-SFHVURJKSA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927127402 1327880659 /nfs/dbraw/zinc/88/06/59/1327880659.db2.gz HERARWJHPZOMRM-MISYRCLQSA-N 2 2 343.515 3.373 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927127402 1327880670 /nfs/dbraw/zinc/88/06/70/1327880670.db2.gz HERARWJHPZOMRM-MISYRCLQSA-N 2 2 343.515 3.373 10 0 EGAELP C[N@H+](CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC000865405484 1329692282 /nfs/dbraw/zinc/69/22/82/1329692282.db2.gz JBRPDXFTCIQBSG-UHFFFAOYSA-N 2 2 325.412 3.145 10 0 EGAELP C[N@@H+](CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC000865405484 1329692284 /nfs/dbraw/zinc/69/22/84/1329692284.db2.gz JBRPDXFTCIQBSG-UHFFFAOYSA-N 2 2 325.412 3.145 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000865547892 1329712241 /nfs/dbraw/zinc/71/22/41/1329712241.db2.gz NWHIWNOIDOMQFJ-INIZCTEOSA-N 2 2 337.423 3.145 10 0 EGAELP O=c1[nH]ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000865547892 1329712243 /nfs/dbraw/zinc/71/22/43/1329712243.db2.gz NWHIWNOIDOMQFJ-INIZCTEOSA-N 2 2 337.423 3.145 10 0 EGAELP CSc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000866341204 1330098751 /nfs/dbraw/zinc/09/87/51/1330098751.db2.gz XARQAAUXXPUMOC-VQTJNVASSA-N 2 2 342.508 3.154 10 0 EGAELP CSc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000866341204 1330098753 /nfs/dbraw/zinc/09/87/53/1330098753.db2.gz XARQAAUXXPUMOC-VQTJNVASSA-N 2 2 342.508 3.154 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561703 1330126964 /nfs/dbraw/zinc/12/69/64/1330126964.db2.gz JXJJXQIOCNCLGB-ICSRJNTNSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561703 1330126965 /nfs/dbraw/zinc/12/69/65/1330126965.db2.gz JXJJXQIOCNCLGB-ICSRJNTNSA-N 2 2 338.536 3.205 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705183 1330142955 /nfs/dbraw/zinc/14/29/55/1330142955.db2.gz VEAUHZGYSDHYOQ-YWZLYKJASA-N 2 2 347.503 3.109 10 0 EGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705183 1330142956 /nfs/dbraw/zinc/14/29/56/1330142956.db2.gz VEAUHZGYSDHYOQ-YWZLYKJASA-N 2 2 347.503 3.109 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccncc2Br)C1 ZINC000866708696 1330143650 /nfs/dbraw/zinc/14/36/50/1330143650.db2.gz NUIWQXMEMCLBKD-OAHLLOKOSA-N 2 2 326.282 3.041 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccncc2Br)C1 ZINC000866708696 1330143651 /nfs/dbraw/zinc/14/36/51/1330143651.db2.gz NUIWQXMEMCLBKD-OAHLLOKOSA-N 2 2 326.282 3.041 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001323035396 1387271638 /nfs/dbraw/zinc/27/16/38/1387271638.db2.gz KJDDMAFAHFHWHG-HPFMTEOYSA-N 2 2 329.488 3.461 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856947 1387476585 /nfs/dbraw/zinc/47/65/85/1387476585.db2.gz FNTKEKMWOHOAIH-SGSXCFNPSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323856947 1387476590 /nfs/dbraw/zinc/47/65/90/1387476590.db2.gz FNTKEKMWOHOAIH-SGSXCFNPSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856947 1387476592 /nfs/dbraw/zinc/47/65/92/1387476592.db2.gz FNTKEKMWOHOAIH-SGSXCFNPSA-N 2 2 344.503 3.013 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323856947 1387476594 /nfs/dbraw/zinc/47/65/94/1387476594.db2.gz FNTKEKMWOHOAIH-SGSXCFNPSA-N 2 2 344.503 3.013 10 0 EGAELP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001324067531 1387526331 /nfs/dbraw/zinc/52/63/31/1387526331.db2.gz KAXYTXSLSBDBNM-ZBFHGGJFSA-N 2 2 328.460 3.192 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899095 1388072453 /nfs/dbraw/zinc/07/24/53/1388072453.db2.gz KGVCJIPZFAAZAK-NYQZOWANSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001325899095 1388072457 /nfs/dbraw/zinc/07/24/57/1388072457.db2.gz KGVCJIPZFAAZAK-NYQZOWANSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899095 1388072465 /nfs/dbraw/zinc/07/24/65/1388072465.db2.gz KGVCJIPZFAAZAK-NYQZOWANSA-N 2 2 344.503 3.154 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001325899095 1388072469 /nfs/dbraw/zinc/07/24/69/1388072469.db2.gz KGVCJIPZFAAZAK-NYQZOWANSA-N 2 2 344.503 3.154 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116443631 1370913285 /nfs/dbraw/zinc/91/32/85/1370913285.db2.gz DOWULLQILSGXLJ-KRWDZBQOSA-N 2 2 341.455 3.484 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116443631 1370913291 /nfs/dbraw/zinc/91/32/91/1370913291.db2.gz DOWULLQILSGXLJ-KRWDZBQOSA-N 2 2 341.455 3.484 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(C(C)C)c1Cl ZINC001118891708 1371246199 /nfs/dbraw/zinc/24/61/99/1371246199.db2.gz ZVLLCZSTMFCDBG-UHFFFAOYSA-N 2 2 344.806 3.259 10 0 EGAELP CC(C)Oc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001119450269 1371345814 /nfs/dbraw/zinc/34/58/14/1371345814.db2.gz GIDBWSSJHARTJJ-UHFFFAOYSA-N 2 2 332.488 3.207 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCCC(C)C)CC2)c[nH+]1 ZINC001327131253 1388394812 /nfs/dbraw/zinc/39/48/12/1388394812.db2.gz ROSNDAIIHGDYDS-SFHVURJKSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCCC(C)C)CC2)c[nH+]1 ZINC001327131253 1388394819 /nfs/dbraw/zinc/39/48/19/1388394819.db2.gz ROSNDAIIHGDYDS-SFHVURJKSA-N 2 2 348.535 3.334 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469914 1377316015 /nfs/dbraw/zinc/31/60/15/1377316015.db2.gz VWDIAXSMYPVTOR-WIJVFFIESA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469914 1377316019 /nfs/dbraw/zinc/31/60/19/1377316019.db2.gz VWDIAXSMYPVTOR-WIJVFFIESA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469914 1377316028 /nfs/dbraw/zinc/31/60/28/1377316028.db2.gz VWDIAXSMYPVTOR-WIJVFFIESA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469914 1377316033 /nfs/dbraw/zinc/31/60/33/1377316033.db2.gz VWDIAXSMYPVTOR-WIJVFFIESA-N 2 2 346.519 3.115 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266799243 1377382338 /nfs/dbraw/zinc/38/23/38/1377382338.db2.gz UJZMBYIMHCNGAF-KRWDZBQOSA-N 2 2 342.487 3.356 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001268164777 1377490535 /nfs/dbraw/zinc/49/05/35/1377490535.db2.gz CZZQEMZIOQTJCR-SFHVURJKSA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)Cn1cc[nH+]c1 ZINC001278930203 1378292829 /nfs/dbraw/zinc/29/28/29/1378292829.db2.gz YNNUBTGNWKFEOM-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)Cn1cc[nH+]c1 ZINC001278930203 1378292840 /nfs/dbraw/zinc/29/28/40/1378292840.db2.gz YNNUBTGNWKFEOM-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001283680143 1379110125 /nfs/dbraw/zinc/11/01/25/1379110125.db2.gz ZHGQAWCRTIHRKI-LSDHHAIUSA-N 2 2 348.878 3.124 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C[NH2+]CCC(C)C)C3)ccn12 ZINC001284172118 1379561886 /nfs/dbraw/zinc/56/18/86/1379561886.db2.gz CTNACCQBOJZILM-WMZOPIPTSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284597986 1379998767 /nfs/dbraw/zinc/99/87/67/1379998767.db2.gz KTXOKZKPWKRXIW-NUJGCVRESA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284597986 1379998771 /nfs/dbraw/zinc/99/87/71/1379998771.db2.gz KTXOKZKPWKRXIW-NUJGCVRESA-N 2 2 346.519 3.214 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284631061 1380035271 /nfs/dbraw/zinc/03/52/71/1380035271.db2.gz LFCDEEWQIPMXQV-NUJGCVRESA-N 2 2 348.535 3.080 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284967723 1380331898 /nfs/dbraw/zinc/33/18/98/1380331898.db2.gz RUADTZMXANTKTM-SJORKVTESA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284967723 1380331902 /nfs/dbraw/zinc/33/19/02/1380331902.db2.gz RUADTZMXANTKTM-SJORKVTESA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284967723 1380331907 /nfs/dbraw/zinc/33/19/07/1380331907.db2.gz RUADTZMXANTKTM-SJORKVTESA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284967723 1380331908 /nfs/dbraw/zinc/33/19/08/1380331908.db2.gz RUADTZMXANTKTM-SJORKVTESA-N 2 2 346.519 3.019 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)cc(Cl)c1N ZINC001293593304 1382310963 /nfs/dbraw/zinc/31/09/63/1382310963.db2.gz XGZYBJMBGGVQGT-UHFFFAOYSA-N 2 2 345.765 3.203 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001302597302 1383759695 /nfs/dbraw/zinc/75/96/95/1383759695.db2.gz QKMMVAWTRUNFQG-UXHICEINSA-N 2 2 341.499 3.086 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001302597302 1383759700 /nfs/dbraw/zinc/75/97/00/1383759700.db2.gz QKMMVAWTRUNFQG-UXHICEINSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001302597302 1383759702 /nfs/dbraw/zinc/75/97/02/1383759702.db2.gz QKMMVAWTRUNFQG-UXHICEINSA-N 2 2 341.499 3.086 10 0 EGAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001302597302 1383759706 /nfs/dbraw/zinc/75/97/06/1383759706.db2.gz QKMMVAWTRUNFQG-UXHICEINSA-N 2 2 341.499 3.086 10 0 EGAELP CCOC(=O)CCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308009031 1384074693 /nfs/dbraw/zinc/07/46/93/1384074693.db2.gz OVZAXMVVHXGWNP-SFTDATJTSA-N 2 2 344.499 3.174 10 0 EGAELP CC(C)OC(=O)CC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308009963 1384074746 /nfs/dbraw/zinc/07/47/46/1384074746.db2.gz WGLPSMBLRFHTAF-NHCUHLMSSA-N 2 2 344.499 3.172 10 0 EGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308166172 1384104238 /nfs/dbraw/zinc/10/42/38/1384104238.db2.gz HXCGACWIYBNPGP-ZDUSSCGKSA-N 2 2 346.862 3.280 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001316656855 1384507909 /nfs/dbraw/zinc/50/79/09/1384507909.db2.gz GHESHKOQYCHOSF-RBUKOAKNSA-N 2 2 346.519 3.118 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001316742192 1384556047 /nfs/dbraw/zinc/55/60/47/1384556047.db2.gz LNCYLRLIBRCJJU-XPOPZGQISA-N 2 2 349.906 3.011 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C/C=C/Cl ZINC001316742192 1384556048 /nfs/dbraw/zinc/55/60/48/1384556048.db2.gz LNCYLRLIBRCJJU-XPOPZGQISA-N 2 2 349.906 3.011 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316775094 1384574056 /nfs/dbraw/zinc/57/40/56/1384574056.db2.gz WYRBSFXARGUSDS-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316775094 1384574061 /nfs/dbraw/zinc/57/40/61/1384574061.db2.gz WYRBSFXARGUSDS-SJORKVTESA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316775092 1384574440 /nfs/dbraw/zinc/57/44/40/1384574440.db2.gz WYRBSFXARGUSDS-IAGOWNOFSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316775092 1384574443 /nfs/dbraw/zinc/57/44/43/1384574443.db2.gz WYRBSFXARGUSDS-IAGOWNOFSA-N 2 2 334.508 3.139 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001317186993 1384961820 /nfs/dbraw/zinc/96/18/20/1384961820.db2.gz DRUSQPJSQHCIII-QGZVFWFLSA-N 2 2 348.535 3.150 10 0 EGAELP C[C@H](CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001317225275 1385004693 /nfs/dbraw/zinc/00/46/93/1385004693.db2.gz AGYURNRLGFDNHW-FAEJEUNOSA-N 2 2 332.492 3.041 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001317245753 1385019154 /nfs/dbraw/zinc/01/91/54/1385019154.db2.gz DJNOMIHTANMVNR-WMZOPIPTSA-N 2 2 332.492 3.065 10 0 EGAELP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317350983 1385100066 /nfs/dbraw/zinc/10/00/66/1385100066.db2.gz NMXQWLQQQUJUAD-DLBZAZTESA-N 2 2 328.460 3.073 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001317687595 1385399210 /nfs/dbraw/zinc/39/92/10/1385399210.db2.gz UAIAUQVSTOCVEM-INIZCTEOSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001317687595 1385399213 /nfs/dbraw/zinc/39/92/13/1385399213.db2.gz UAIAUQVSTOCVEM-INIZCTEOSA-N 2 2 348.535 3.385 10 0 EGAELP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001318066788 1385622534 /nfs/dbraw/zinc/62/25/34/1385622534.db2.gz GHZOXYWCZNVLLN-SJORKVTESA-N 2 2 340.471 3.013 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1)n1cc[nH+]c1 ZINC001319143158 1385976849 /nfs/dbraw/zinc/97/68/49/1385976849.db2.gz WAZQPMQCVHXBNO-SFHVURJKSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)n1cc[nH+]c1 ZINC001319143158 1385976852 /nfs/dbraw/zinc/97/68/52/1385976852.db2.gz WAZQPMQCVHXBNO-SFHVURJKSA-N 2 2 346.519 3.193 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001319870706 1386348319 /nfs/dbraw/zinc/34/83/19/1386348319.db2.gz UALZUDWAQRCIHX-MJGOQNOKSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320453016 1386613300 /nfs/dbraw/zinc/61/33/00/1386613300.db2.gz DCOGLGWZGVCWFW-KBAYOESNSA-N 2 2 346.519 3.358 10 0 EGAELP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320453016 1386613302 /nfs/dbraw/zinc/61/33/02/1386613302.db2.gz DCOGLGWZGVCWFW-KBAYOESNSA-N 2 2 346.519 3.358 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001321113177 1386812570 /nfs/dbraw/zinc/81/25/70/1386812570.db2.gz WLIKTTAHNYUTPJ-HJWRWDBZSA-N 2 2 346.519 3.159 10 0 EGAELP O=C(NC/C=C\C[NH2+]CCC1=CCCCC1)c1cccc2[nH+]ccn21 ZINC001321155499 1386824104 /nfs/dbraw/zinc/82/41/04/1386824104.db2.gz NTEGSJHCHHMDJD-PLNGDYQASA-N 2 2 338.455 3.100 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001321898455 1387006770 /nfs/dbraw/zinc/00/67/70/1387006770.db2.gz SCVIBTDZVYSHGX-MAUKXSAKSA-N 2 2 342.487 3.172 10 0 EGAELP CC[C@H](C)C[NH+]1CCC(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001698723888 1406371621 /nfs/dbraw/zinc/37/16/21/1406371621.db2.gz BQNYQBNAMQUNBE-INIZCTEOSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001331029657 1389602603 /nfs/dbraw/zinc/60/26/03/1389602603.db2.gz ILUJYDAWEVODMZ-IBGZPJMESA-N 2 2 346.519 3.359 10 0 EGAELP CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001331029657 1389602605 /nfs/dbraw/zinc/60/26/05/1389602605.db2.gz ILUJYDAWEVODMZ-IBGZPJMESA-N 2 2 346.519 3.359 10 0 EGAELP CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332098604 1389981468 /nfs/dbraw/zinc/98/14/68/1389981468.db2.gz DVJHYSYUBSVYGU-CMKODMSKSA-N 2 2 346.519 3.384 10 0 EGAELP CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332098604 1389981471 /nfs/dbraw/zinc/98/14/71/1389981471.db2.gz DVJHYSYUBSVYGU-CMKODMSKSA-N 2 2 346.519 3.384 10 0 EGAELP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001332221566 1390054215 /nfs/dbraw/zinc/05/42/15/1390054215.db2.gz YXQJDKZTBYKPII-OIIZEAPSSA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001332221566 1390054218 /nfs/dbraw/zinc/05/42/18/1390054218.db2.gz YXQJDKZTBYKPII-OIIZEAPSSA-N 2 2 346.519 3.068 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001332394365 1390103994 /nfs/dbraw/zinc/10/39/94/1390103994.db2.gz UIXIABTVJUVGOP-CQSZACIVSA-N 2 2 328.416 3.110 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CCn1cc[nH+]c1 ZINC001332720950 1390167696 /nfs/dbraw/zinc/16/76/96/1390167696.db2.gz ZSKZUMIGOIISQW-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP 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ZINC001479744958 1392360011 /nfs/dbraw/zinc/36/00/11/1392360011.db2.gz HKGSXJVOFVTNMG-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744958 1392360005 /nfs/dbraw/zinc/36/00/05/1392360005.db2.gz HKGSXJVOFVTNMG-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744958 1392360007 /nfs/dbraw/zinc/36/00/07/1392360007.db2.gz HKGSXJVOFVTNMG-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001479744958 1392360015 /nfs/dbraw/zinc/36/00/15/1392360015.db2.gz HKGSXJVOFVTNMG-BRWVUGGUSA-N 2 2 346.519 3.310 10 0 EGAELP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747398 1392364318 /nfs/dbraw/zinc/36/43/18/1392364318.db2.gz YEERTZKHFUCHKS-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747398 1392364320 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UBQKSXKCJDOAOX-LSDHHAIUSA-N 2 2 328.460 3.049 10 0 EGAELP CCCCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001724089454 1424655942 /nfs/dbraw/zinc/65/59/42/1424655942.db2.gz QMWAUNAFQNFSFD-KRWDZBQOSA-N 2 2 342.487 3.403 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724332159 1424825500 /nfs/dbraw/zinc/82/55/00/1424825500.db2.gz HIEICTJAFUULGV-FXAWDEMLSA-N 2 2 348.535 3.489 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001724332159 1424825503 /nfs/dbraw/zinc/82/55/03/1424825503.db2.gz HIEICTJAFUULGV-FXAWDEMLSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001724541517 1424902315 /nfs/dbraw/zinc/90/23/15/1424902315.db2.gz XNNGSPCRMQMOFF-SJLPKXTDSA-N 2 2 329.488 3.413 10 0 EGAELP C[N@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001724741770 1425107736 /nfs/dbraw/zinc/10/77/36/1425107736.db2.gz QRPDYXCMPICKEB-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP C[N@@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001724741770 1425107750 /nfs/dbraw/zinc/10/77/50/1425107750.db2.gz QRPDYXCMPICKEB-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC(C)(C)C ZINC001725003177 1425414925 /nfs/dbraw/zinc/41/49/25/1425414925.db2.gz NXBYSUCPTKYSNH-IRXDYDNUSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC(C)(C)C ZINC001725003177 1425414929 /nfs/dbraw/zinc/41/49/29/1425414929.db2.gz NXBYSUCPTKYSNH-IRXDYDNUSA-N 2 2 334.508 3.069 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199338 1425755807 /nfs/dbraw/zinc/75/58/07/1425755807.db2.gz BERBXPGJLVXVPV-YOEHRIQHSA-N 2 2 348.878 3.124 10 0 EGAELP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001725199338 1425755813 /nfs/dbraw/zinc/75/58/13/1425755813.db2.gz BERBXPGJLVXVPV-YOEHRIQHSA-N 2 2 348.878 3.124 10 0 EGAELP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001725225163 1425794411 /nfs/dbraw/zinc/79/44/11/1425794411.db2.gz YAFTUGWHCQUJJG-IAGOWNOFSA-N 2 2 346.519 3.358 10 0 EGAELP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001725225163 1425794420 /nfs/dbraw/zinc/79/44/20/1425794420.db2.gz YAFTUGWHCQUJJG-IAGOWNOFSA-N 2 2 346.519 3.358 10 0 EGAELP CCCC[C@@H](C[NH2+]C/C=C/Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725234462 1425816580 /nfs/dbraw/zinc/81/65/80/1425816580.db2.gz QABOUVJJRREBCX-GBXSZLQWSA-N 2 2 334.851 3.194 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243630 1425855363 /nfs/dbraw/zinc/85/53/63/1425855363.db2.gz YOWHDXBFSZWMLU-MOPGFXCFSA-N 2 2 349.494 3.010 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243630 1425855365 /nfs/dbraw/zinc/85/53/65/1425855365.db2.gz YOWHDXBFSZWMLU-MOPGFXCFSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCF)c1ccccc1 ZINC001725243630 1425855374 /nfs/dbraw/zinc/85/53/74/1425855374.db2.gz YOWHDXBFSZWMLU-MOPGFXCFSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCF)c1ccccc1 ZINC001725243630 1425855380 /nfs/dbraw/zinc/85/53/80/1425855380.db2.gz YOWHDXBFSZWMLU-MOPGFXCFSA-N 2 2 349.494 3.010 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725590560 1426245681 /nfs/dbraw/zinc/24/56/81/1426245681.db2.gz IGVZCNLDIFMIDN-ZFWWWQNUSA-N 2 2 328.460 3.192 10 0 EGAELP CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001725595398 1426251308 /nfs/dbraw/zinc/25/13/08/1426251308.db2.gz SMVSKIAVDCBTQS-HZPDHXFCSA-N 2 2 328.460 3.107 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683525 1426371077 /nfs/dbraw/zinc/37/10/77/1426371077.db2.gz XGRUQEMCMCEYSM-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001725683525 1426371084 /nfs/dbraw/zinc/37/10/84/1426371084.db2.gz XGRUQEMCMCEYSM-RDJZCZTQSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725767603 1426450439 /nfs/dbraw/zinc/45/04/39/1426450439.db2.gz LUZNWFPICWCWLO-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818887 1426494647 /nfs/dbraw/zinc/49/46/47/1426494647.db2.gz YGKDMBDYRWPQKJ-HKUYNNGSSA-N 2 2 346.519 3.265 10 0 EGAELP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818887 1426494651 /nfs/dbraw/zinc/49/46/51/1426494651.db2.gz YGKDMBDYRWPQKJ-HKUYNNGSSA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731291588 1427233631 /nfs/dbraw/zinc/23/36/31/1427233631.db2.gz ASRJAMINGSFPQZ-SJORKVTESA-N 2 2 340.471 3.273 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)CC1CCC(C)(C)CC1 ZINC001731323355 1427263546 /nfs/dbraw/zinc/26/35/46/1427263546.db2.gz SJNNAXPHOPGIGH-UHFFFAOYSA-N 2 2 348.535 3.007 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)CC1CCC(C)(C)CC1 ZINC001731323355 1427263548 /nfs/dbraw/zinc/26/35/48/1427263548.db2.gz SJNNAXPHOPGIGH-UHFFFAOYSA-N 2 2 348.535 3.007 10 0 EGAELP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001731548276 1427565494 /nfs/dbraw/zinc/56/54/94/1427565494.db2.gz XPFJBQORTDMQNE-QGZVFWFLSA-N 2 2 334.508 3.088 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716727 1427781401 /nfs/dbraw/zinc/78/14/01/1427781401.db2.gz ZGRHVBLOWASKIQ-PKOBYXMFSA-N 2 2 346.519 3.337 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001731716727 1427781409 /nfs/dbraw/zinc/78/14/09/1427781409.db2.gz ZGRHVBLOWASKIQ-PKOBYXMFSA-N 2 2 346.519 3.337 10 0 EGAELP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731959158 1428183724 /nfs/dbraw/zinc/18/37/24/1428183724.db2.gz JBIRMKQZYPMJKW-QGZVFWFLSA-N 2 2 342.487 3.206 10 0 EGAELP CCCCC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733864147 1437692755 /nfs/dbraw/zinc/69/27/55/1437692755.db2.gz CEQTZLCMDOPEOO-UHFFFAOYSA-N 2 2 328.460 3.109 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001733991602 1437786674 /nfs/dbraw/zinc/78/66/74/1437786674.db2.gz FMSQCYRFSDADRN-JKSUJKDBSA-N 2 2 344.503 3.104 10 0 EGAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001734040632 1437828939 /nfs/dbraw/zinc/82/89/39/1437828939.db2.gz KUUJBRKLXOPDSD-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001734040632 1437828941 /nfs/dbraw/zinc/82/89/41/1437828941.db2.gz KUUJBRKLXOPDSD-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001734040632 1437828942 /nfs/dbraw/zinc/82/89/42/1437828942.db2.gz KUUJBRKLXOPDSD-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001734040632 1437828944 /nfs/dbraw/zinc/82/89/44/1437828944.db2.gz KUUJBRKLXOPDSD-DJIMGWMZSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001734061017 1437854829 /nfs/dbraw/zinc/85/48/29/1437854829.db2.gz XZUHXPJHIHVJLD-HUUCEWRRSA-N 2 2 348.878 3.124 10 0 EGAELP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001734061017 1437854830 /nfs/dbraw/zinc/85/48/30/1437854830.db2.gz XZUHXPJHIHVJLD-HUUCEWRRSA-N 2 2 348.878 3.124 10 0 EGAELP CCC[NH2+]CC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCCC1 ZINC001734095342 1437879446 /nfs/dbraw/zinc/87/94/46/1437879446.db2.gz JAXLLSPSLPAJSO-UHFFFAOYSA-N 2 2 342.487 3.004 10 0 EGAELP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001734103765 1437888742 /nfs/dbraw/zinc/88/87/42/1437888742.db2.gz MIFXRKLFEKJFMH-MSOLQXFVSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001734103765 1437888745 /nfs/dbraw/zinc/88/87/45/1437888745.db2.gz MIFXRKLFEKJFMH-MSOLQXFVSA-N 2 2 332.492 3.161 10 0 EGAELP C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001734274454 1438007742 /nfs/dbraw/zinc/00/77/42/1438007742.db2.gz MAZVESFNATXBLK-UHFFFAOYSA-N 2 2 348.535 3.436 10 0 EGAELP C[N@@H+](CCCC(C)(C)C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001734274454 1438007751 /nfs/dbraw/zinc/00/77/51/1438007751.db2.gz MAZVESFNATXBLK-UHFFFAOYSA-N 2 2 348.535 3.436 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001734562282 1438159276 /nfs/dbraw/zinc/15/92/76/1438159276.db2.gz CCNAQVHQBNRXFO-FUHWJXTLSA-N 2 2 348.535 3.002 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191343934 529761313 /nfs/dbraw/zinc/76/13/13/529761313.db2.gz OYDKBUHXTKIGGI-SFHVURJKSA-N 2 2 335.455 3.468 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191343934 529761314 /nfs/dbraw/zinc/76/13/14/529761314.db2.gz OYDKBUHXTKIGGI-SFHVURJKSA-N 2 2 335.455 3.468 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)nc1 ZINC000178281350 232124241 /nfs/dbraw/zinc/12/42/41/232124241.db2.gz DHGBPVZMPUPEEF-SFHVURJKSA-N 2 2 329.488 3.127 10 0 EGAELP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530179224 313491028 /nfs/dbraw/zinc/49/10/28/313491028.db2.gz QZFODCTYRZDUMA-ZDUSSCGKSA-N 2 2 329.669 3.477 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000245577623 299309473 /nfs/dbraw/zinc/30/94/73/299309473.db2.gz FRMVRXQPFXQJKG-OWCBBSPXSA-N 2 2 340.870 3.487 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000245577623 299309478 /nfs/dbraw/zinc/30/94/78/299309478.db2.gz FRMVRXQPFXQJKG-OWCBBSPXSA-N 2 2 340.870 3.487 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000111229459 220117501 /nfs/dbraw/zinc/11/75/01/220117501.db2.gz ANARPWLNIDGKSJ-SFHVURJKSA-N 2 2 329.492 3.458 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000111229459 220117505 /nfs/dbraw/zinc/11/75/05/220117505.db2.gz ANARPWLNIDGKSJ-SFHVURJKSA-N 2 2 329.492 3.458 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377724022 169068816 /nfs/dbraw/zinc/06/88/16/169068816.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 3 2 326.488 3.015 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377724022 169068818 /nfs/dbraw/zinc/06/88/18/169068818.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 3 2 326.488 3.015 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377724022 169068821 /nfs/dbraw/zinc/06/88/21/169068821.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 3 2 326.488 3.015 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377724022 169068823 /nfs/dbraw/zinc/06/88/23/169068823.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 3 2 326.488 3.015 10 0 EGAELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000092812630 218169867 /nfs/dbraw/zinc/16/98/67/218169867.db2.gz QSLIYEVJVGZMMA-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 EGAELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000092812630 218169869 /nfs/dbraw/zinc/16/98/69/218169869.db2.gz QSLIYEVJVGZMMA-OAHLLOKOSA-N 2 2 327.428 3.033 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268834781 252283416 /nfs/dbraw/zinc/28/34/16/252283416.db2.gz GIIOCEGBXQBGFG-PXNSSMCTSA-N 3 2 326.488 3.082 10 0 EGAELP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268834781 252283418 /nfs/dbraw/zinc/28/34/18/252283418.db2.gz GIIOCEGBXQBGFG-PXNSSMCTSA-N 3 2 326.488 3.082 10 0 EGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCO1 ZINC000328628807 258030651 /nfs/dbraw/zinc/03/06/51/258030651.db2.gz HNZMPDICPZDEDQ-VHHHDHQQSA-N 2 2 329.419 3.315 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299739548 258010462 /nfs/dbraw/zinc/01/04/62/258010462.db2.gz PYCFKZLVQXOUGH-HNNXBMFYSA-N 2 2 340.471 3.384 10 0 EGAELP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299739548 258010464 /nfs/dbraw/zinc/01/04/64/258010464.db2.gz PYCFKZLVQXOUGH-HNNXBMFYSA-N 2 2 340.471 3.384 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328655442 258018597 /nfs/dbraw/zinc/01/85/97/258018597.db2.gz YKTUAIYUTMFYCB-QFBILLFUSA-N 2 2 346.544 3.429 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328655442 258018598 /nfs/dbraw/zinc/01/85/98/258018598.db2.gz YKTUAIYUTMFYCB-QFBILLFUSA-N 2 2 346.544 3.429 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328655442 258018599 /nfs/dbraw/zinc/01/85/99/258018599.db2.gz YKTUAIYUTMFYCB-QFBILLFUSA-N 2 2 346.544 3.429 10 0 EGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2cccs2)[C@@H]1c1cnn(C)c1 ZINC000328655442 258018600 /nfs/dbraw/zinc/01/86/00/258018600.db2.gz YKTUAIYUTMFYCB-QFBILLFUSA-N 2 2 346.544 3.429 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccc(F)c3)CCC[NH+]2C)cn1 ZINC000328651974 258020946 /nfs/dbraw/zinc/02/09/46/258020946.db2.gz WFLBIJVCDJKETH-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccc(F)c3)CCC[NH+]2C)cn1 ZINC000328651974 258020947 /nfs/dbraw/zinc/02/09/47/258020947.db2.gz WFLBIJVCDJKETH-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(F)c3)CCC[N@@H+]2C)cn1 ZINC000328651974 258020948 /nfs/dbraw/zinc/02/09/48/258020948.db2.gz WFLBIJVCDJKETH-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(F)c3)CCC[N@H+]2C)cn1 ZINC000328651974 258020949 /nfs/dbraw/zinc/02/09/49/258020949.db2.gz WFLBIJVCDJKETH-QFBILLFUSA-N 2 2 330.451 3.074 10 0 EGAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573752 141015672 /nfs/dbraw/zinc/01/56/72/141015672.db2.gz LLXUQMJWSVETSL-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573752 141015676 /nfs/dbraw/zinc/01/56/76/141015676.db2.gz LLXUQMJWSVETSL-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573752 141015680 /nfs/dbraw/zinc/01/56/80/141015680.db2.gz LLXUQMJWSVETSL-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573752 141015684 /nfs/dbraw/zinc/01/56/84/141015684.db2.gz LLXUQMJWSVETSL-KSSFIOAISA-N 2 2 347.890 3.227 10 0 EGAELP COc1c(C)cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246573708 141015931 /nfs/dbraw/zinc/01/59/31/141015931.db2.gz LLUPODXJSQCLCY-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246573708 141015934 /nfs/dbraw/zinc/01/59/34/141015934.db2.gz LLUPODXJSQCLCY-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246573708 141015936 /nfs/dbraw/zinc/01/59/36/141015936.db2.gz LLUPODXJSQCLCY-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP COc1c(C)cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246573708 141015939 /nfs/dbraw/zinc/01/59/39/141015939.db2.gz LLUPODXJSQCLCY-QFBILLFUSA-N 2 2 329.488 3.156 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863430 141039929 /nfs/dbraw/zinc/03/99/29/141039929.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863430 141039930 /nfs/dbraw/zinc/03/99/30/141039930.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863430 141039931 /nfs/dbraw/zinc/03/99/31/141039931.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 3 2 336.483 3.321 10 0 EGAELP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000246863430 141039932 /nfs/dbraw/zinc/03/99/32/141039932.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 3 2 336.483 3.321 10 0 EGAELP Cn1c(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)nc2ccccc21 ZINC000346199802 141179028 /nfs/dbraw/zinc/17/90/28/141179028.db2.gz GVHCVOCVYDRMNQ-UHFFFAOYSA-N 2 2 337.452 3.453 10 0 EGAELP Cn1c(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)nc2ccccc21 ZINC000346199802 141179029 /nfs/dbraw/zinc/17/90/29/141179029.db2.gz GVHCVOCVYDRMNQ-UHFFFAOYSA-N 2 2 337.452 3.453 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000356288957 141336596 /nfs/dbraw/zinc/33/65/96/141336596.db2.gz VRCQAKRMAHVGIV-UHFFFAOYSA-N 2 2 348.450 3.213 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000356288957 141336597 /nfs/dbraw/zinc/33/65/97/141336597.db2.gz VRCQAKRMAHVGIV-UHFFFAOYSA-N 2 2 348.450 3.213 10 0 EGAELP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000172158933 144016420 /nfs/dbraw/zinc/01/64/20/144016420.db2.gz PRMHUVJSXMQFNQ-INIZCTEOSA-N 2 2 333.439 3.267 10 0 EGAELP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000172158933 144016421 /nfs/dbraw/zinc/01/64/21/144016421.db2.gz PRMHUVJSXMQFNQ-INIZCTEOSA-N 2 2 333.439 3.267 10 0 EGAELP FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184012330 144083793 /nfs/dbraw/zinc/08/37/93/144083793.db2.gz OISXCOOUFUJKSQ-INIZCTEOSA-N 2 2 339.361 3.366 10 0 EGAELP FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184012330 144083795 /nfs/dbraw/zinc/08/37/95/144083795.db2.gz OISXCOOUFUJKSQ-INIZCTEOSA-N 2 2 339.361 3.366 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1F ZINC000192685664 144177761 /nfs/dbraw/zinc/17/77/61/144177761.db2.gz YTRHUSUVBXNOQN-QAPCUYQASA-N 2 2 343.446 3.230 10 0 EGAELP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1F ZINC000192685664 144177762 /nfs/dbraw/zinc/17/77/62/144177762.db2.gz YTRHUSUVBXNOQN-QAPCUYQASA-N 2 2 343.446 3.230 10 0 EGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C=C3CCC(C)(C)CC3)CC2)CC1 ZINC000120178337 152258670 /nfs/dbraw/zinc/25/86/70/152258670.db2.gz OLSXLKKGHFOPTR-UHFFFAOYSA-N 2 2 347.547 3.188 10 0 EGAELP Oc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121567467 152359852 /nfs/dbraw/zinc/35/98/52/152359852.db2.gz GETAJTJPUUFBQT-HXUWFJFHSA-N 2 2 335.407 3.151 10 0 EGAELP Oc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121567467 152359855 /nfs/dbraw/zinc/35/98/55/152359855.db2.gz GETAJTJPUUFBQT-HXUWFJFHSA-N 2 2 335.407 3.151 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192078660 153240038 /nfs/dbraw/zinc/24/00/38/153240038.db2.gz OPMAESJVVZWFJR-FQEVSTJZSA-N 2 2 334.423 3.229 10 0 EGAELP c1coc(-c2ncc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)s2)c1 ZINC000193000690 153272200 /nfs/dbraw/zinc/27/22/00/153272200.db2.gz MRFYAHCRCKMYPG-UHFFFAOYSA-N 2 2 337.408 3.274 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000194156901 153324775 /nfs/dbraw/zinc/32/47/75/153324775.db2.gz FSAGTAGVZOGEEB-VAMGGRTRSA-N 2 2 341.499 3.198 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378547 154320365 /nfs/dbraw/zinc/32/03/65/154320365.db2.gz BVFCCSKJIDMCRY-VQIMIIECSA-N 2 2 334.508 3.006 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378547 154320368 /nfs/dbraw/zinc/32/03/68/154320368.db2.gz BVFCCSKJIDMCRY-VQIMIIECSA-N 2 2 334.508 3.006 10 0 EGAELP CC[N@H+](CCCNC(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000337391088 154328478 /nfs/dbraw/zinc/32/84/78/154328478.db2.gz ZIIFMGTWGIOZFZ-SFHVURJKSA-N 2 2 346.519 3.077 10 0 EGAELP CC[N@@H+](CCCNC(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000337391088 154328480 /nfs/dbraw/zinc/32/84/80/154328480.db2.gz ZIIFMGTWGIOZFZ-SFHVURJKSA-N 2 2 346.519 3.077 10 0 EGAELP CC[NH+](CCCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000337391088 154328482 /nfs/dbraw/zinc/32/84/82/154328482.db2.gz ZIIFMGTWGIOZFZ-SFHVURJKSA-N 2 2 346.519 3.077 10 0 EGAELP CC[NH+](CCCNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000337391088 154328484 /nfs/dbraw/zinc/32/84/84/154328484.db2.gz ZIIFMGTWGIOZFZ-SFHVURJKSA-N 2 2 346.519 3.077 10 0 EGAELP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504534 154386892 /nfs/dbraw/zinc/38/68/92/154386892.db2.gz YBJZBTVWSZPDMW-NVXWUHKLSA-N 2 2 333.476 3.131 10 0 EGAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504534 154386893 /nfs/dbraw/zinc/38/68/93/154386893.db2.gz YBJZBTVWSZPDMW-NVXWUHKLSA-N 2 2 333.476 3.131 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504052 154387161 /nfs/dbraw/zinc/38/71/61/154387161.db2.gz XUARNFBTCUBYSL-DLBZAZTESA-N 2 2 346.519 3.094 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504052 154387165 /nfs/dbraw/zinc/38/71/65/154387165.db2.gz XUARNFBTCUBYSL-DLBZAZTESA-N 2 2 346.519 3.094 10 0 EGAELP CC(C)[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1 ZINC000346946544 156208802 /nfs/dbraw/zinc/20/88/02/156208802.db2.gz NWBMSYQXXXJREN-ICSRJNTNSA-N 2 2 339.487 3.426 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611987 162017838 /nfs/dbraw/zinc/01/78/38/162017838.db2.gz GIEWPCBYDSTZPU-QGZVFWFLSA-N 2 2 344.421 3.144 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611987 162017845 /nfs/dbraw/zinc/01/78/45/162017845.db2.gz GIEWPCBYDSTZPU-QGZVFWFLSA-N 2 2 344.421 3.144 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611987 162017850 /nfs/dbraw/zinc/01/78/50/162017850.db2.gz GIEWPCBYDSTZPU-QGZVFWFLSA-N 2 2 344.421 3.144 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611987 162017856 /nfs/dbraw/zinc/01/78/56/162017856.db2.gz GIEWPCBYDSTZPU-QGZVFWFLSA-N 2 2 344.421 3.144 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nnc2n1CCCC2 ZINC000131036416 162388090 /nfs/dbraw/zinc/38/80/90/162388090.db2.gz DKGCRXNVKALBNA-LSDHHAIUSA-N 2 2 336.443 3.212 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131036218 162388121 /nfs/dbraw/zinc/38/81/21/162388121.db2.gz DKGCRXNVKALBNA-CABCVRRESA-N 2 2 336.443 3.212 10 0 EGAELP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2cnn(C)c2)c1 ZINC000338947708 163399832 /nfs/dbraw/zinc/39/98/32/163399832.db2.gz LDZZRKMJJDZUCQ-UHFFFAOYSA-N 2 2 335.455 3.498 10 0 EGAELP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344149147 164114590 /nfs/dbraw/zinc/11/45/90/164114590.db2.gz SNUMQOWISHMQIV-MRXNPFEDSA-N 2 2 327.453 3.281 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000345697193 164246458 /nfs/dbraw/zinc/24/64/58/164246458.db2.gz QKNQBMHJNOCVOS-IBGZPJMESA-N 2 2 340.471 3.103 10 0 EGAELP Clc1ccccc1-c1nnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000345713629 164250926 /nfs/dbraw/zinc/25/09/26/164250926.db2.gz OOSIGZGRUDHUOT-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1COc2ccccc2O1 ZINC000346170751 164355753 /nfs/dbraw/zinc/35/57/53/164355753.db2.gz JPDNUJJIQWCRPC-HNNXBMFYSA-N 2 2 341.436 3.206 10 0 EGAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1COc2ccccc2O1 ZINC000346170751 164355754 /nfs/dbraw/zinc/35/57/54/164355754.db2.gz JPDNUJJIQWCRPC-HNNXBMFYSA-N 2 2 341.436 3.206 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000355269124 166150952 /nfs/dbraw/zinc/15/09/52/166150952.db2.gz USWGRFJLAGEKPV-YOEHRIQHSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000355269124 166150954 /nfs/dbraw/zinc/15/09/54/166150954.db2.gz USWGRFJLAGEKPV-YOEHRIQHSA-N 2 2 339.468 3.485 10 0 EGAELP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359855742 167250311 /nfs/dbraw/zinc/25/03/11/167250311.db2.gz KJUMNMBIZYSWKI-YLJYHZDGSA-N 2 2 339.483 3.481 10 0 EGAELP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359855742 167250314 /nfs/dbraw/zinc/25/03/14/167250314.db2.gz KJUMNMBIZYSWKI-YLJYHZDGSA-N 2 2 339.483 3.481 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000366923304 168157422 /nfs/dbraw/zinc/15/74/22/168157422.db2.gz RZCNRPXNVPQENL-WBMJQRKESA-N 2 2 338.908 3.308 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366923304 168157425 /nfs/dbraw/zinc/15/74/25/168157425.db2.gz RZCNRPXNVPQENL-WBMJQRKESA-N 2 2 338.908 3.308 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC(F)(F)F ZINC000368090149 168309260 /nfs/dbraw/zinc/30/92/60/168309260.db2.gz PPPCNSDFLVDIKO-NSHDSACASA-N 2 2 343.324 3.137 10 0 EGAELP Fc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC(F)(F)F ZINC000368090149 168309261 /nfs/dbraw/zinc/30/92/61/168309261.db2.gz PPPCNSDFLVDIKO-NSHDSACASA-N 2 2 343.324 3.137 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000123188114 222231792 /nfs/dbraw/zinc/23/17/92/222231792.db2.gz QWVGWNDAFQRXDK-DOTOQJQBSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000123188114 222231795 /nfs/dbraw/zinc/23/17/95/222231795.db2.gz QWVGWNDAFQRXDK-DOTOQJQBSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000177072218 265227196 /nfs/dbraw/zinc/22/71/96/265227196.db2.gz HELJFRVZOUUUFE-YHYVQYDKSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000177072218 265227198 /nfs/dbraw/zinc/22/71/98/265227198.db2.gz HELJFRVZOUUUFE-YHYVQYDKSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000177072218 265227201 /nfs/dbraw/zinc/22/72/01/265227201.db2.gz HELJFRVZOUUUFE-YHYVQYDKSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000177072218 265227203 /nfs/dbraw/zinc/22/72/03/265227203.db2.gz HELJFRVZOUUUFE-YHYVQYDKSA-N 2 2 336.479 3.099 10 0 EGAELP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178750416 265338501 /nfs/dbraw/zinc/33/85/01/265338501.db2.gz XJNLSOSEBHUHAA-MRXNPFEDSA-N 2 2 344.484 3.017 10 0 EGAELP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178750416 265338504 /nfs/dbraw/zinc/33/85/04/265338504.db2.gz XJNLSOSEBHUHAA-MRXNPFEDSA-N 2 2 344.484 3.017 10 0 EGAELP COc1c(O)cccc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275412170 267357611 /nfs/dbraw/zinc/35/76/11/267357611.db2.gz BQZYCXGYQMUGCG-INIZCTEOSA-N 2 2 341.455 3.232 10 0 EGAELP COc1c(O)cccc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275412170 267357612 /nfs/dbraw/zinc/35/76/12/267357612.db2.gz BQZYCXGYQMUGCG-INIZCTEOSA-N 2 2 341.455 3.232 10 0 EGAELP Cc1nc(F)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279171464 275309550 /nfs/dbraw/zinc/30/95/50/275309550.db2.gz BUHFYYWSEJMIKV-UHFFFAOYSA-N 2 2 328.435 3.442 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)cc2)c[nH+]1 ZINC000289020817 276280053 /nfs/dbraw/zinc/28/00/53/276280053.db2.gz NXAJLWZMUOKSEU-UHFFFAOYSA-N 2 2 333.391 3.246 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)cc2)c[nH+]1 ZINC000289020817 276280055 /nfs/dbraw/zinc/28/00/55/276280055.db2.gz NXAJLWZMUOKSEU-UHFFFAOYSA-N 2 2 333.391 3.246 10 0 EGAELP Cn1cc[nH+]c1CN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000289377789 276330059 /nfs/dbraw/zinc/33/00/59/276330059.db2.gz BYMVBWBECWAIPH-UHFFFAOYSA-N 2 2 340.393 3.003 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231281 278305306 /nfs/dbraw/zinc/30/53/06/278305306.db2.gz WXUKXPOXZCBYFF-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231281 278305308 /nfs/dbraw/zinc/30/53/08/278305308.db2.gz WXUKXPOXZCBYFF-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c1 ZINC000414129358 309062476 /nfs/dbraw/zinc/06/24/76/309062476.db2.gz USDCXKDYKPIXBG-OAHLLOKOSA-N 2 2 338.224 3.141 10 0 EGAELP OC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414327529 309073139 /nfs/dbraw/zinc/07/31/39/309073139.db2.gz BIPVCIQOPHOBPX-VQIMIIECSA-N 2 2 336.907 3.445 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414357076 309075053 /nfs/dbraw/zinc/07/50/53/309075053.db2.gz BBTGKDKLPLLRDW-ZVDOUQERSA-N 3 2 338.499 3.458 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414357076 309075054 /nfs/dbraw/zinc/07/50/54/309075054.db2.gz BBTGKDKLPLLRDW-ZVDOUQERSA-N 3 2 338.499 3.458 10 0 EGAELP O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484522 309083741 /nfs/dbraw/zinc/08/37/41/309083741.db2.gz JSRKSHLKKIJGPP-WMZOPIPTSA-N 2 2 325.437 3.242 10 0 EGAELP O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414484522 309083742 /nfs/dbraw/zinc/08/37/42/309083742.db2.gz JSRKSHLKKIJGPP-WMZOPIPTSA-N 2 2 325.437 3.242 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1C ZINC000414838302 309104875 /nfs/dbraw/zinc/10/48/75/309104875.db2.gz VIUHLCLLTPNZPL-QAPCUYQASA-N 2 2 325.456 3.310 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc(Br)c(Cl)s2)c1 ZINC000313257745 308764868 /nfs/dbraw/zinc/76/48/68/308764868.db2.gz VSOCHTJEGATWRC-UHFFFAOYSA-N 2 2 334.670 3.230 10 0 EGAELP C[N@H+]1CC=C(CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413220751 309022176 /nfs/dbraw/zinc/02/21/76/309022176.db2.gz HIAGUVOJWZCGPY-UHFFFAOYSA-N 2 2 332.245 3.093 10 0 EGAELP C[N@@H+]1CC=C(CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413220751 309022177 /nfs/dbraw/zinc/02/21/77/309022177.db2.gz HIAGUVOJWZCGPY-UHFFFAOYSA-N 2 2 332.245 3.093 10 0 EGAELP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414884157 309107099 /nfs/dbraw/zinc/10/70/99/309107099.db2.gz USRXQGHQDLWODW-GHTZIAJQSA-N 3 2 344.547 3.194 10 0 EGAELP CCOc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OCC(F)(F)F ZINC000414921235 309109386 /nfs/dbraw/zinc/10/93/86/309109386.db2.gz DHKSEUNDYOIMKN-TZMCWYRMSA-N 2 2 346.393 3.114 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414921115 309109529 /nfs/dbraw/zinc/10/95/29/309109529.db2.gz DEJLYDIAYBNXPA-JMSVASOKSA-N 2 2 343.393 3.010 10 0 EGAELP C[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc2C[NH2+]1 ZINC000415106265 309120720 /nfs/dbraw/zinc/12/07/20/309120720.db2.gz UINVJEPDXZPQKJ-KRWDZBQOSA-N 2 2 332.451 3.430 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422751375 309366706 /nfs/dbraw/zinc/36/67/06/309366706.db2.gz FWFXMMQYFRNZBZ-WOJBJXKFSA-N 2 2 326.440 3.157 10 0 EGAELP CC[NH+](CC)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795615 309368891 /nfs/dbraw/zinc/36/88/91/309368891.db2.gz HXHVQIJFWPNDIH-QRWLVFNGSA-N 2 2 342.487 3.236 10 0 EGAELP CCN(CC)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795615 309368892 /nfs/dbraw/zinc/36/88/92/309368892.db2.gz HXHVQIJFWPNDIH-QRWLVFNGSA-N 2 2 342.487 3.236 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H](CCO)CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422802521 309369290 /nfs/dbraw/zinc/36/92/90/309369290.db2.gz DMAVRUSCJNYMLC-UXPWSPDFSA-N 2 2 334.504 3.123 10 0 EGAELP C[C@@H]1C[C@@H]1[C@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000422923421 309376322 /nfs/dbraw/zinc/37/63/22/309376322.db2.gz RYETTXDNHCSDCE-QUVDLZNZSA-N 2 2 334.891 3.394 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422964573 309378837 /nfs/dbraw/zinc/37/88/37/309378837.db2.gz IVGQWDAHKMQWMV-YHBQJITHSA-N 2 2 343.471 3.486 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021080 309381311 /nfs/dbraw/zinc/38/13/11/309381311.db2.gz DGWOPURFFYKFPM-VNTMZGSJSA-N 2 2 343.421 3.444 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021080 309381312 /nfs/dbraw/zinc/38/13/12/309381312.db2.gz DGWOPURFFYKFPM-VNTMZGSJSA-N 2 2 343.421 3.444 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2cccc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423110504 309386535 /nfs/dbraw/zinc/38/65/35/309386535.db2.gz UWGFZNWUFTVRRK-SFTDATJTSA-N 2 2 339.483 3.414 10 0 EGAELP CCn1cc[nH+]c1[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423146364 309388366 /nfs/dbraw/zinc/38/83/66/309388366.db2.gz AIRMDFFFUGKCQU-QGTPRVQTSA-N 2 2 328.460 3.056 10 0 EGAELP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000423160445 309388817 /nfs/dbraw/zinc/38/88/17/309388817.db2.gz HGWMMBXLTNJMLS-XGXHKWSGSA-N 2 2 334.891 3.333 10 0 EGAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)ccc1F ZINC000423230428 309391374 /nfs/dbraw/zinc/39/13/74/309391374.db2.gz JGTVMEBPXMFDBV-KRWDZBQOSA-N 2 2 332.398 3.333 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000423236200 309391792 /nfs/dbraw/zinc/39/17/92/309391792.db2.gz RUKNKYZIPKIZBW-CHWSQXEVSA-N 2 2 328.382 3.024 10 0 EGAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423397126 309398628 /nfs/dbraw/zinc/39/86/28/309398628.db2.gz ODXOZOVGWPMGAR-BIGNPOOSSA-N 2 2 327.241 3.163 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495673 309403039 /nfs/dbraw/zinc/40/30/39/309403039.db2.gz CKHKMIZAKXNOLW-UWJYYQICSA-N 3 2 329.532 3.189 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000437990666 309804727 /nfs/dbraw/zinc/80/47/27/309804727.db2.gz FZXUPSHATQSWPA-CTNGQTDRSA-N 2 2 336.483 3.417 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449086151 310036050 /nfs/dbraw/zinc/03/60/50/310036050.db2.gz BAOHKEHNLCOMJX-BVYCBKJFSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449086151 310036051 /nfs/dbraw/zinc/03/60/51/310036051.db2.gz BAOHKEHNLCOMJX-BVYCBKJFSA-N 3 2 341.543 3.298 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000449217655 310045442 /nfs/dbraw/zinc/04/54/42/310045442.db2.gz ATUUKJSUKIHCSB-LJQANCHMSA-N 3 2 329.532 3.158 10 0 EGAELP CC[NH+](CC)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449222970 310045762 /nfs/dbraw/zinc/04/57/62/310045762.db2.gz XKOHSIBHTDHWKK-LJQANCHMSA-N 3 2 331.548 3.404 10 0 EGAELP c1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)OCCCCO2 ZINC000449297486 310051363 /nfs/dbraw/zinc/05/13/63/310051363.db2.gz GPHJBGWEPNHDLS-UHFFFAOYSA-N 2 2 330.472 3.345 10 0 EGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397286 310058672 /nfs/dbraw/zinc/05/86/72/310058672.db2.gz ORRPQVCMHFDULP-OWCLPIDISA-N 2 2 347.528 3.225 10 0 EGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397286 310058673 /nfs/dbraw/zinc/05/86/73/310058673.db2.gz ORRPQVCMHFDULP-OWCLPIDISA-N 2 2 347.528 3.225 10 0 EGAELP COC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000450577485 310131115 /nfs/dbraw/zinc/13/11/15/310131115.db2.gz DVKHSCGORDPXDH-UHFFFAOYSA-N 2 2 333.819 3.229 10 0 EGAELP Cn1cc[nH+]c1N1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488129780 311052674 /nfs/dbraw/zinc/05/26/74/311052674.db2.gz OFVJPVKMOXOAQW-UHFFFAOYSA-N 2 2 339.270 3.092 10 0 EGAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057137 311162222 /nfs/dbraw/zinc/16/22/22/311162222.db2.gz DCNLELUQLCZPDG-UXHICEINSA-N 2 2 349.563 3.366 10 0 EGAELP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057137 311162223 /nfs/dbraw/zinc/16/22/23/311162223.db2.gz DCNLELUQLCZPDG-UXHICEINSA-N 2 2 349.563 3.366 10 0 EGAELP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1 ZINC000513072303 312201189 /nfs/dbraw/zinc/20/11/89/312201189.db2.gz ZWFLMBVZVXDHNS-HXUWFJFHSA-N 2 2 341.499 3.179 10 0 EGAELP C[C@H]1CCCC[C@@H]1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165002 312700998 /nfs/dbraw/zinc/70/09/98/312700998.db2.gz RPTNJDYITZZNMQ-RBUKOAKNSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527846010 312956203 /nfs/dbraw/zinc/95/62/03/312956203.db2.gz DOUJYPYWTVCMCH-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528363453 313073815 /nfs/dbraw/zinc/07/38/15/313073815.db2.gz FBWMDTASYYVXJQ-SFHVURJKSA-N 2 2 334.479 3.262 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528363453 313073818 /nfs/dbraw/zinc/07/38/18/313073818.db2.gz FBWMDTASYYVXJQ-SFHVURJKSA-N 2 2 334.479 3.262 10 0 EGAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990194 314222588 /nfs/dbraw/zinc/22/25/88/314222588.db2.gz GSRQYWCRMBPGHP-LRDDRELGSA-N 2 2 328.378 3.157 10 0 EGAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000537990194 314222589 /nfs/dbraw/zinc/22/25/89/314222589.db2.gz GSRQYWCRMBPGHP-LRDDRELGSA-N 2 2 328.378 3.157 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@H](C)C1 ZINC000539838233 314344190 /nfs/dbraw/zinc/34/41/90/314344190.db2.gz JHZYPOSOOVNTIV-VKJFTORMSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@H](C)C1 ZINC000539838233 314344194 /nfs/dbraw/zinc/34/41/94/314344194.db2.gz JHZYPOSOOVNTIV-VKJFTORMSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@H](C)C1 ZINC000539838233 314344196 /nfs/dbraw/zinc/34/41/96/314344196.db2.gz JHZYPOSOOVNTIV-VKJFTORMSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@H](C)C1 ZINC000539838233 314344199 /nfs/dbraw/zinc/34/41/99/314344199.db2.gz JHZYPOSOOVNTIV-VKJFTORMSA-N 2 2 332.488 3.181 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635802 315029044 /nfs/dbraw/zinc/02/90/44/315029044.db2.gz CHUHJLQJGWFYNW-YJBOKZPZSA-N 2 2 340.471 3.328 10 0 EGAELP Brc1ccc2c(cc[nH+]c2NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000565761729 316366015 /nfs/dbraw/zinc/36/60/15/316366015.db2.gz ACFQVFMBDBKBRW-GFCCVEGCSA-N 2 2 346.272 3.315 10 0 EGAELP Brc1ccc2c(cc[nH+]c2NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000565761729 316366017 /nfs/dbraw/zinc/36/60/17/316366017.db2.gz ACFQVFMBDBKBRW-GFCCVEGCSA-N 2 2 346.272 3.315 10 0 EGAELP C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1[nH]cc[nH+]1 ZINC000568233763 316747167 /nfs/dbraw/zinc/74/71/67/316747167.db2.gz ZTWHKJDVKNLNRE-HIFRSBDPSA-N 2 2 341.459 3.094 10 0 EGAELP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)C[NH+]1CCCCC1 ZINC000572203804 317304706 /nfs/dbraw/zinc/30/47/06/317304706.db2.gz SMOMKQMFHWFFHR-OXQOHEQNSA-N 2 2 342.462 3.417 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351064 /nfs/dbraw/zinc/35/10/64/317351064.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351068 /nfs/dbraw/zinc/35/10/68/317351068.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351071 /nfs/dbraw/zinc/35/10/71/317351071.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 3 2 339.527 3.258 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351074 /nfs/dbraw/zinc/35/10/74/317351074.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 3 2 339.527 3.258 10 0 EGAELP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389946976 324281042 /nfs/dbraw/zinc/28/10/42/324281042.db2.gz QWLGEWNOIAJZBW-HKUYNNGSSA-N 2 2 326.488 3.332 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657287 455219123 /nfs/dbraw/zinc/21/91/23/455219123.db2.gz GYBQCFZABNSLDZ-OXJNMPFZSA-N 2 2 346.434 3.328 10 0 EGAELP CC[C@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057734 455219249 /nfs/dbraw/zinc/21/92/49/455219249.db2.gz VHJRZEFRJFPAIG-OALUTQOASA-N 2 2 332.536 3.496 10 0 EGAELP CC[C@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057734 455219255 /nfs/dbraw/zinc/21/92/55/455219255.db2.gz VHJRZEFRJFPAIG-OALUTQOASA-N 2 2 332.536 3.496 10 0 EGAELP Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180657902 455220707 /nfs/dbraw/zinc/22/07/07/455220707.db2.gz NCVWBXLDNBGFHL-MRXNPFEDSA-N 2 2 334.423 3.470 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663404 455221839 /nfs/dbraw/zinc/22/18/39/455221839.db2.gz SDTKGBQJUPHXEB-ZACQAIPSSA-N 2 2 340.471 3.312 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(Cl)o3)c2cc1C ZINC000605437520 460582695 /nfs/dbraw/zinc/58/26/95/460582695.db2.gz RAVBUKVJRPTGRW-ZDUSSCGKSA-N 2 2 333.819 3.050 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886553 460589518 /nfs/dbraw/zinc/58/95/18/460589518.db2.gz KBAUPDCOFRGLAN-FUHWJXTLSA-N 2 2 329.488 3.131 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886553 460589523 /nfs/dbraw/zinc/58/95/23/460589523.db2.gz KBAUPDCOFRGLAN-FUHWJXTLSA-N 2 2 329.488 3.131 10 0 EGAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1Br ZINC000070143119 454167112 /nfs/dbraw/zinc/16/71/12/454167112.db2.gz MYMZTELZIUUONJ-LLVKDONJSA-N 2 2 337.265 3.099 10 0 EGAELP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130943139 454227134 /nfs/dbraw/zinc/22/71/34/454227134.db2.gz GTNXWZYYLHVYLC-CTNGQTDRSA-N 3 2 341.543 3.471 10 0 EGAELP O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000090771274 454339091 /nfs/dbraw/zinc/33/90/91/454339091.db2.gz QQTQMZJMANKMLB-FQEVSTJZSA-N 2 2 337.467 3.154 10 0 EGAELP Cc1nc(N2CCC[N@H+](Cc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000079057946 454361928 /nfs/dbraw/zinc/36/19/28/454361928.db2.gz DUPFHSJLAVGWMQ-UHFFFAOYSA-N 2 2 336.483 3.376 10 0 EGAELP Cc1nc(N2CCC[N@@H+](Cc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000079057946 454361931 /nfs/dbraw/zinc/36/19/31/454361931.db2.gz DUPFHSJLAVGWMQ-UHFFFAOYSA-N 2 2 336.483 3.376 10 0 EGAELP c1nc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000091482342 454440994 /nfs/dbraw/zinc/44/09/94/454440994.db2.gz ZMUFSZMLAFJROM-GOSISDBHSA-N 2 2 343.519 3.312 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812486 454638608 /nfs/dbraw/zinc/63/86/08/454638608.db2.gz ALTNJLASMJXTGD-HNNXBMFYSA-N 2 2 337.427 3.307 10 0 EGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812486 454638613 /nfs/dbraw/zinc/63/86/13/454638613.db2.gz ALTNJLASMJXTGD-HNNXBMFYSA-N 2 2 337.427 3.307 10 0 EGAELP Cc1nc2[nH]ccc2c(NCc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC000080980048 454664494 /nfs/dbraw/zinc/66/44/94/454664494.db2.gz OKAQQODKWSAXQB-UHFFFAOYSA-N 2 2 339.443 3.209 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000105922661 454668104 /nfs/dbraw/zinc/66/81/04/454668104.db2.gz RDFFRFQSHUOKLO-AWEZNQCLSA-N 2 2 343.456 3.394 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000105922661 454668111 /nfs/dbraw/zinc/66/81/11/454668111.db2.gz RDFFRFQSHUOKLO-AWEZNQCLSA-N 2 2 343.456 3.394 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128572 454681857 /nfs/dbraw/zinc/68/18/57/454681857.db2.gz XCNYEWZVLZZWSD-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128572 454681859 /nfs/dbraw/zinc/68/18/59/454681859.db2.gz XCNYEWZVLZZWSD-UHFFFAOYSA-N 2 2 326.488 3.096 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093148445 454689319 /nfs/dbraw/zinc/68/93/19/454689319.db2.gz UCQWSKQBHPPNNQ-HXUWFJFHSA-N 2 2 346.563 3.136 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148445 454689321 /nfs/dbraw/zinc/68/93/21/454689321.db2.gz UCQWSKQBHPPNNQ-HXUWFJFHSA-N 2 2 346.563 3.136 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000136093377 454719798 /nfs/dbraw/zinc/71/97/98/454719798.db2.gz HCKXPRJOIOQVDG-CJNGLKHVSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000136093377 454719802 /nfs/dbraw/zinc/71/98/02/454719802.db2.gz HCKXPRJOIOQVDG-CJNGLKHVSA-N 2 2 347.846 3.391 10 0 EGAELP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)cc1OC ZINC000136218565 454730018 /nfs/dbraw/zinc/73/00/18/454730018.db2.gz OKBGPGMRJWWLFV-UHFFFAOYSA-N 2 2 329.282 3.279 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000152971386 454748307 /nfs/dbraw/zinc/74/83/07/454748307.db2.gz RKNUBPXHBCQDQW-JTJHWIPRSA-N 2 2 328.500 3.444 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000152971386 454748308 /nfs/dbraw/zinc/74/83/08/454748308.db2.gz RKNUBPXHBCQDQW-JTJHWIPRSA-N 2 2 328.500 3.444 10 0 EGAELP CCCCCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154556368 454907499 /nfs/dbraw/zinc/90/74/99/454907499.db2.gz PWZXWHZRLOQWOC-DFNIBXOVSA-N 2 2 349.563 3.362 10 0 EGAELP CCCCCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154556368 454907501 /nfs/dbraw/zinc/90/75/01/454907501.db2.gz PWZXWHZRLOQWOC-DFNIBXOVSA-N 2 2 349.563 3.362 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000113934937 454938899 /nfs/dbraw/zinc/93/88/99/454938899.db2.gz XBYLSIFIPWYOEW-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCC2)C1 ZINC000113934937 454938904 /nfs/dbraw/zinc/93/89/04/454938904.db2.gz XBYLSIFIPWYOEW-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000113934937 454938907 /nfs/dbraw/zinc/93/89/07/454938907.db2.gz XBYLSIFIPWYOEW-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000113934937 454938912 /nfs/dbraw/zinc/93/89/12/454938912.db2.gz XBYLSIFIPWYOEW-ZWKOTPCHSA-N 2 2 335.536 3.022 10 0 EGAELP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151279054 454962600 /nfs/dbraw/zinc/96/26/00/454962600.db2.gz XLPNUTAXGUSQNO-GDBMZVCRSA-N 2 2 340.895 3.236 10 0 EGAELP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151316467 454968260 /nfs/dbraw/zinc/96/82/60/454968260.db2.gz YBVFSEDYAWBAHC-HIFRSBDPSA-N 2 2 339.549 3.246 10 0 EGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1N(C)C ZINC000151529228 454997620 /nfs/dbraw/zinc/99/76/20/454997620.db2.gz HLJUEOKAPZZZBB-AWEZNQCLSA-N 2 2 339.418 3.323 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CNc4ccccc43)CC2)nc1 ZINC000635023858 460659811 /nfs/dbraw/zinc/65/98/11/460659811.db2.gz STTGDYIMDFOVLL-KRWDZBQOSA-N 2 2 336.483 3.235 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000180127920 455135900 /nfs/dbraw/zinc/13/59/00/455135900.db2.gz DOQWHYANWLJJQZ-GOSISDBHSA-N 2 2 339.418 3.385 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000180127920 455135904 /nfs/dbraw/zinc/13/59/04/455135904.db2.gz DOQWHYANWLJJQZ-GOSISDBHSA-N 2 2 339.418 3.385 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157495850 455199830 /nfs/dbraw/zinc/19/98/30/455199830.db2.gz QIMBYPVOLGSMFG-UHFFFAOYSA-N 2 2 331.504 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157495850 455199835 /nfs/dbraw/zinc/19/98/35/455199835.db2.gz QIMBYPVOLGSMFG-UHFFFAOYSA-N 2 2 331.504 3.166 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442798 455302288 /nfs/dbraw/zinc/30/22/88/455302288.db2.gz WPDKAJFLJCLWIJ-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442798 455302291 /nfs/dbraw/zinc/30/22/91/455302291.db2.gz WPDKAJFLJCLWIJ-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442798 455302296 /nfs/dbraw/zinc/30/22/96/455302296.db2.gz WPDKAJFLJCLWIJ-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442798 455302300 /nfs/dbraw/zinc/30/23/00/455302300.db2.gz WPDKAJFLJCLWIJ-BBRMVZONSA-N 2 2 334.895 3.389 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000245469830 455308969 /nfs/dbraw/zinc/30/89/69/455308969.db2.gz MFPVWHDYNJSBSQ-ZFWWWQNUSA-N 2 2 334.489 3.447 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000245469830 455308974 /nfs/dbraw/zinc/30/89/74/455308974.db2.gz MFPVWHDYNJSBSQ-ZFWWWQNUSA-N 2 2 334.489 3.447 10 0 EGAELP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190461220 455322447 /nfs/dbraw/zinc/32/24/47/455322447.db2.gz XHWKKTMCIUJXEG-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190461220 455322451 /nfs/dbraw/zinc/32/24/51/455322451.db2.gz XHWKKTMCIUJXEG-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190461220 455322455 /nfs/dbraw/zinc/32/24/55/455322455.db2.gz XHWKKTMCIUJXEG-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP COc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190461220 455322459 /nfs/dbraw/zinc/32/24/59/455322459.db2.gz XHWKKTMCIUJXEG-INIZCTEOSA-N 2 2 345.512 3.414 10 0 EGAELP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCC2 ZINC000181479954 455340613 /nfs/dbraw/zinc/34/06/13/455340613.db2.gz VGBTUYULQDYBRF-RBUKOAKNSA-N 2 2 325.456 3.369 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245620600 455342121 /nfs/dbraw/zinc/34/21/21/455342121.db2.gz WPNMIGDDUBVSRW-KSSFIOAISA-N 3 2 339.886 3.156 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245620600 455342124 /nfs/dbraw/zinc/34/21/24/455342124.db2.gz WPNMIGDDUBVSRW-KSSFIOAISA-N 3 2 339.886 3.156 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000174285855 455376785 /nfs/dbraw/zinc/37/67/85/455376785.db2.gz OUCIGBOKZWQFON-IAGOWNOFSA-N 2 2 325.460 3.228 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000182628142 455555346 /nfs/dbraw/zinc/55/53/46/455555346.db2.gz FSAGTAGVZOGEEB-AQNXPRMDSA-N 2 2 341.499 3.198 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247101324 455559679 /nfs/dbraw/zinc/55/96/79/455559679.db2.gz QAVGDYOZBSXUEW-LVCYWYKZSA-N 3 2 329.532 3.278 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000247101324 455559683 /nfs/dbraw/zinc/55/96/83/455559683.db2.gz QAVGDYOZBSXUEW-LVCYWYKZSA-N 3 2 329.532 3.278 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334739 455589496 /nfs/dbraw/zinc/58/94/96/455589496.db2.gz ZCCQMJRYIPLTQM-BLLLJJGKSA-N 2 2 337.533 3.274 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334739 455589498 /nfs/dbraw/zinc/58/94/98/455589498.db2.gz ZCCQMJRYIPLTQM-BLLLJJGKSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334739 455589501 /nfs/dbraw/zinc/58/95/01/455589501.db2.gz ZCCQMJRYIPLTQM-BLLLJJGKSA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000247334739 455589503 /nfs/dbraw/zinc/58/95/03/455589503.db2.gz ZCCQMJRYIPLTQM-BLLLJJGKSA-N 2 2 337.533 3.274 10 0 EGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000247382969 455593902 /nfs/dbraw/zinc/59/39/02/455593902.db2.gz PWFKNGHOTQWCPO-DNVCBOLYSA-N 2 2 339.439 3.332 10 0 EGAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000247382969 455593904 /nfs/dbraw/zinc/59/39/04/455593904.db2.gz PWFKNGHOTQWCPO-DNVCBOLYSA-N 2 2 339.439 3.332 10 0 EGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962259 455617006 /nfs/dbraw/zinc/61/70/06/455617006.db2.gz ILYGGTDYOKWWKO-JSGCOSHPSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962259 455617012 /nfs/dbraw/zinc/61/70/12/455617012.db2.gz ILYGGTDYOKWWKO-JSGCOSHPSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962259 455617014 /nfs/dbraw/zinc/61/70/14/455617014.db2.gz ILYGGTDYOKWWKO-JSGCOSHPSA-N 2 2 326.868 3.359 10 0 EGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000283962259 455617020 /nfs/dbraw/zinc/61/70/20/455617020.db2.gz ILYGGTDYOKWWKO-JSGCOSHPSA-N 2 2 326.868 3.359 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000271548264 455680868 /nfs/dbraw/zinc/68/08/68/455680868.db2.gz UOGSLDPUQODKCA-GQIGUUNPSA-N 2 2 326.488 3.149 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000271548264 455680871 /nfs/dbraw/zinc/68/08/71/455680871.db2.gz UOGSLDPUQODKCA-GQIGUUNPSA-N 2 2 326.488 3.149 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000249399884 455753575 /nfs/dbraw/zinc/75/35/75/455753575.db2.gz UTJKNIKCCOLVML-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000249399884 455753582 /nfs/dbraw/zinc/75/35/82/455753582.db2.gz UTJKNIKCCOLVML-HNAYVOBHSA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540410 460693022 /nfs/dbraw/zinc/69/30/22/460693022.db2.gz NARKVQWHTXTGHK-OXJNMPFZSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606540410 460693023 /nfs/dbraw/zinc/69/30/23/460693023.db2.gz NARKVQWHTXTGHK-OXJNMPFZSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2ccc(F)cc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606540410 460693026 /nfs/dbraw/zinc/69/30/26/460693026.db2.gz NARKVQWHTXTGHK-OXJNMPFZSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541008 460694401 /nfs/dbraw/zinc/69/44/01/460694401.db2.gz WBIKSBYPHNDWFB-QFBILLFUSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606541008 460694408 /nfs/dbraw/zinc/69/44/08/460694408.db2.gz WBIKSBYPHNDWFB-QFBILLFUSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606541008 460694412 /nfs/dbraw/zinc/69/44/12/460694412.db2.gz WBIKSBYPHNDWFB-QFBILLFUSA-N 2 2 342.458 3.238 10 0 EGAELP C[C@H]1c2c(F)cccc2CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606541008 460694419 /nfs/dbraw/zinc/69/44/19/460694419.db2.gz WBIKSBYPHNDWFB-QFBILLFUSA-N 2 2 342.458 3.238 10 0 EGAELP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606581494 460700336 /nfs/dbraw/zinc/70/03/36/460700336.db2.gz FSQFKZRRWSWPOO-UHFFFAOYSA-N 2 2 337.427 3.108 10 0 EGAELP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606581494 460700338 /nfs/dbraw/zinc/70/03/38/460700338.db2.gz FSQFKZRRWSWPOO-UHFFFAOYSA-N 2 2 337.427 3.108 10 0 EGAELP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3[nH+]ccn3c2)c1C ZINC000606583351 460701708 /nfs/dbraw/zinc/70/17/08/460701708.db2.gz YAVZIZPTTPLVNV-UHFFFAOYSA-N 2 2 339.399 3.019 10 0 EGAELP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)CC(C)C ZINC000606583921 460701879 /nfs/dbraw/zinc/70/18/79/460701879.db2.gz SYDVCVUEWKUEON-INIZCTEOSA-N 2 2 331.464 3.212 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202144 455999681 /nfs/dbraw/zinc/99/96/81/455999681.db2.gz RJAJSPOVCVYCMR-NBHGPNQESA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1-n1ccnn1 ZINC000286202144 455999685 /nfs/dbraw/zinc/99/96/85/455999685.db2.gz RJAJSPOVCVYCMR-NBHGPNQESA-N 2 2 347.466 3.363 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000271244764 456189699 /nfs/dbraw/zinc/18/96/99/456189699.db2.gz GTCMUBGVXKOSFN-VNQPRFMTSA-N 2 2 332.473 3.274 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000271244764 456189701 /nfs/dbraw/zinc/18/97/01/456189701.db2.gz GTCMUBGVXKOSFN-VNQPRFMTSA-N 2 2 332.473 3.274 10 0 EGAELP CCc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091066 456285286 /nfs/dbraw/zinc/28/52/86/456285286.db2.gz MCLKSNQAEMFVQR-AEFFLSMTSA-N 2 2 332.398 3.483 10 0 EGAELP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091066 456285294 /nfs/dbraw/zinc/28/52/94/456285294.db2.gz MCLKSNQAEMFVQR-AEFFLSMTSA-N 2 2 332.398 3.483 10 0 EGAELP COc1cc2c(c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c1)O[C@@H](C)C2 ZINC000352852423 456363648 /nfs/dbraw/zinc/36/36/48/456363648.db2.gz GKVHYKGHKUIJGH-ZDUSSCGKSA-N 2 2 327.428 3.121 10 0 EGAELP Nc1[nH+]cnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000302884513 456426308 /nfs/dbraw/zinc/42/63/08/456426308.db2.gz KIMSEEXXIMMXLR-CQSZACIVSA-N 2 2 331.851 3.179 10 0 EGAELP Nc1[nH+]cnc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1Cl ZINC000302884513 456426316 /nfs/dbraw/zinc/42/63/16/456426316.db2.gz KIMSEEXXIMMXLR-CQSZACIVSA-N 2 2 331.851 3.179 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000340602358 456562571 /nfs/dbraw/zinc/56/25/71/456562571.db2.gz ZFKYFFDMGCVLRK-UHFFFAOYSA-N 2 2 333.382 3.314 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCC(C)C ZINC000353235012 456576786 /nfs/dbraw/zinc/57/67/86/456576786.db2.gz APOHOVJXGZBKDV-HNNXBMFYSA-N 2 2 329.444 3.100 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCC(C)C ZINC000353235012 456576794 /nfs/dbraw/zinc/57/67/94/456576794.db2.gz APOHOVJXGZBKDV-HNNXBMFYSA-N 2 2 329.444 3.100 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471304 456644711 /nfs/dbraw/zinc/64/47/11/456644711.db2.gz IEPLYTHRQORUCS-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471304 456644718 /nfs/dbraw/zinc/64/47/18/456644718.db2.gz IEPLYTHRQORUCS-LIRRHRJNSA-N 2 2 341.430 3.118 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207293 456663396 /nfs/dbraw/zinc/66/33/96/456663396.db2.gz OMMAKQJNPPUZIC-MSOLQXFVSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000324207293 456663400 /nfs/dbraw/zinc/66/34/00/456663400.db2.gz OMMAKQJNPPUZIC-MSOLQXFVSA-N 2 2 329.488 3.014 10 0 EGAELP C[N@@H+]1CC[C@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463158 456697564 /nfs/dbraw/zinc/69/75/64/456697564.db2.gz HSPWYDGRIKHUEU-NLDTVIPQSA-N 2 2 328.500 3.365 10 0 EGAELP C[N@H+]1CC[C@H]2OCC[NH+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463158 456697568 /nfs/dbraw/zinc/69/75/68/456697568.db2.gz HSPWYDGRIKHUEU-NLDTVIPQSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@H]2OCC[N@H+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463158 456697570 /nfs/dbraw/zinc/69/75/70/456697570.db2.gz HSPWYDGRIKHUEU-NLDTVIPQSA-N 2 2 328.500 3.365 10 0 EGAELP C[NH+]1CC[C@H]2OCC[N@@H+](CC3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC000348463158 456697574 /nfs/dbraw/zinc/69/75/74/456697574.db2.gz HSPWYDGRIKHUEU-NLDTVIPQSA-N 2 2 328.500 3.365 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H](C)CCSc3ccccc3)CC2)cc[nH+]1 ZINC000353570496 456768825 /nfs/dbraw/zinc/76/88/25/456768825.db2.gz MZORBJOIXIQIKE-INIZCTEOSA-N 2 2 342.512 3.478 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353630793 456815092 /nfs/dbraw/zinc/81/50/92/456815092.db2.gz NUNPEVNTAUVDEY-OCCSQVGLSA-N 2 2 332.245 3.307 10 0 EGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353630793 456815096 /nfs/dbraw/zinc/81/50/96/456815096.db2.gz NUNPEVNTAUVDEY-OCCSQVGLSA-N 2 2 332.245 3.307 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000341274626 456829577 /nfs/dbraw/zinc/82/95/77/456829577.db2.gz RCZSWFNTAJKZJN-YOEHRIQHSA-N 2 2 347.409 3.436 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000341274626 456829583 /nfs/dbraw/zinc/82/95/83/456829583.db2.gz RCZSWFNTAJKZJN-YOEHRIQHSA-N 2 2 347.409 3.436 10 0 EGAELP CC[N@@H+]1CC[C@H]2OCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)[C@H]2C1 ZINC000338731681 456853774 /nfs/dbraw/zinc/85/37/74/456853774.db2.gz AASJPBYTXKXLRI-DLBZAZTESA-N 2 2 332.492 3.023 10 0 EGAELP CC[N@H+]1CC[C@H]2OCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)[C@H]2C1 ZINC000338731681 456853781 /nfs/dbraw/zinc/85/37/81/456853781.db2.gz AASJPBYTXKXLRI-DLBZAZTESA-N 2 2 332.492 3.023 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353747593 456886152 /nfs/dbraw/zinc/88/61/52/456886152.db2.gz OWIZEMZZENZDEB-OXJNMPFZSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353747593 456886157 /nfs/dbraw/zinc/88/61/57/456886157.db2.gz OWIZEMZZENZDEB-OXJNMPFZSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353747593 456886161 /nfs/dbraw/zinc/88/61/61/456886161.db2.gz OWIZEMZZENZDEB-OXJNMPFZSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353747593 456886165 /nfs/dbraw/zinc/88/61/65/456886165.db2.gz OWIZEMZZENZDEB-OXJNMPFZSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353747592 456886326 /nfs/dbraw/zinc/88/63/26/456886326.db2.gz OWIZEMZZENZDEB-JXFKEZNVSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353747592 456886328 /nfs/dbraw/zinc/88/63/28/456886328.db2.gz OWIZEMZZENZDEB-JXFKEZNVSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353747592 456886331 /nfs/dbraw/zinc/88/63/31/456886331.db2.gz OWIZEMZZENZDEB-JXFKEZNVSA-N 2 2 340.515 3.463 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353747592 456886334 /nfs/dbraw/zinc/88/63/34/456886334.db2.gz OWIZEMZZENZDEB-JXFKEZNVSA-N 2 2 340.515 3.463 10 0 EGAELP C[C@@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946021 456974782 /nfs/dbraw/zinc/97/47/82/456974782.db2.gz DHJZWOOJUMIVRD-UXDRXVOSSA-N 2 2 335.536 3.019 10 0 EGAELP C[C@@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946021 456974787 /nfs/dbraw/zinc/97/47/87/456974787.db2.gz DHJZWOOJUMIVRD-UXDRXVOSSA-N 2 2 335.536 3.019 10 0 EGAELP Cc1noc(C2(C)CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346362246 457036354 /nfs/dbraw/zinc/03/63/54/457036354.db2.gz UNHJQAVKEGCXBY-UHFFFAOYSA-N 2 2 343.456 3.179 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)C2 ZINC000356704106 457125726 /nfs/dbraw/zinc/12/57/26/457125726.db2.gz STSUBHAJEWTOHX-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)CC2 ZINC000356704106 457125734 /nfs/dbraw/zinc/12/57/34/457125734.db2.gz STSUBHAJEWTOHX-JKSUJKDBSA-N 2 2 346.519 3.019 10 0 EGAELP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c4ccccc34)c[nH+]2)C[C@H](C)O1 ZINC000346746962 457147916 /nfs/dbraw/zinc/14/79/16/457147916.db2.gz BKUGSKFNGRTIQO-IYBDPMFKSA-N 2 2 348.450 3.277 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360841481 457378543 /nfs/dbraw/zinc/37/85/43/457378543.db2.gz RXWHMTYBNKYSJY-HOCLYGCPSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360841481 457378551 /nfs/dbraw/zinc/37/85/51/457378551.db2.gz RXWHMTYBNKYSJY-HOCLYGCPSA-N 2 2 344.421 3.337 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c[nH+]1 ZINC000363673686 457410167 /nfs/dbraw/zinc/41/01/67/457410167.db2.gz LNBBIANUWQLMSS-UHFFFAOYSA-N 2 2 327.403 3.347 10 0 EGAELP CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000347416897 457415030 /nfs/dbraw/zinc/41/50/30/457415030.db2.gz PKVZTWCPBPKJTR-MRXNPFEDSA-N 2 2 333.457 3.240 10 0 EGAELP CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000347416897 457415033 /nfs/dbraw/zinc/41/50/33/457415033.db2.gz PKVZTWCPBPKJTR-MRXNPFEDSA-N 2 2 333.457 3.240 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000385994028 457429030 /nfs/dbraw/zinc/42/90/30/457429030.db2.gz BITWKSYQGBUNPA-BPQIPLTHSA-N 2 2 338.480 3.015 10 0 EGAELP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000385994028 457429039 /nfs/dbraw/zinc/42/90/39/457429039.db2.gz BITWKSYQGBUNPA-BPQIPLTHSA-N 2 2 338.480 3.015 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000390848714 457447801 /nfs/dbraw/zinc/44/78/01/457447801.db2.gz HMKAKTOLCXOICI-HXUWFJFHSA-N 2 2 334.467 3.344 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000390848714 457447807 /nfs/dbraw/zinc/44/78/07/457447807.db2.gz HMKAKTOLCXOICI-HXUWFJFHSA-N 2 2 334.467 3.344 10 0 EGAELP COc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)ccc1SC ZINC000342745447 457495075 /nfs/dbraw/zinc/49/50/75/457495075.db2.gz NYDAYDGEBMIMHM-UHFFFAOYSA-N 2 2 343.496 3.443 10 0 EGAELP CC(C)[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374213189 457525087 /nfs/dbraw/zinc/52/50/87/457525087.db2.gz STRVGXGPLRVYLL-HXUWFJFHSA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cn1 ZINC000352721339 457559046 /nfs/dbraw/zinc/55/90/46/457559046.db2.gz RZJZBOJJIRKABR-IBGZPJMESA-N 2 2 343.446 3.294 10 0 EGAELP c1cn2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2s1 ZINC000374319611 457583466 /nfs/dbraw/zinc/58/34/66/457583466.db2.gz ABROYATWGMTRIM-CQSZACIVSA-N 2 2 341.484 3.308 10 0 EGAELP c1cn2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2s1 ZINC000374319611 457583470 /nfs/dbraw/zinc/58/34/70/457583470.db2.gz ABROYATWGMTRIM-CQSZACIVSA-N 2 2 341.484 3.308 10 0 EGAELP CC[N@H+](C[C@@H](C)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374667607 457684150 /nfs/dbraw/zinc/68/41/50/457684150.db2.gz YDIZPZTVFOOJFO-MRXNPFEDSA-N 2 2 334.508 3.234 10 0 EGAELP CC[N@@H+](C[C@@H](C)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374667607 457684152 /nfs/dbraw/zinc/68/41/52/457684152.db2.gz YDIZPZTVFOOJFO-MRXNPFEDSA-N 2 2 334.508 3.234 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)Cc1ccnn1C ZINC000361394368 457716096 /nfs/dbraw/zinc/71/60/96/457716096.db2.gz DUYBZWXZMQREKI-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)Cc1ccnn1C ZINC000361394368 457716100 /nfs/dbraw/zinc/71/61/00/457716100.db2.gz DUYBZWXZMQREKI-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000361395342 457717371 /nfs/dbraw/zinc/71/73/71/457717371.db2.gz NMNIEWSOEZUPNA-XMMPIXPASA-N 2 2 347.528 3.358 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000361395342 457717373 /nfs/dbraw/zinc/71/73/73/457717373.db2.gz NMNIEWSOEZUPNA-XMMPIXPASA-N 2 2 347.528 3.358 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000361519203 457767373 /nfs/dbraw/zinc/76/73/73/457767373.db2.gz MVXSXOIDWAUIFF-ZDUSSCGKSA-N 2 2 333.382 3.252 10 0 EGAELP Cc1c[nH+]cc(CCc2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1 ZINC000426403884 457822599 /nfs/dbraw/zinc/82/25/99/457822599.db2.gz XTRHCKQXILXLAI-UHFFFAOYSA-N 2 2 340.402 3.426 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464507 457939798 /nfs/dbraw/zinc/93/97/98/457939798.db2.gz JLDWWSGDOFIEEN-KRWDZBQOSA-N 2 2 349.438 3.431 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464507 457939803 /nfs/dbraw/zinc/93/98/03/457939803.db2.gz JLDWWSGDOFIEEN-KRWDZBQOSA-N 2 2 349.438 3.431 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000368464296 458039643 /nfs/dbraw/zinc/03/96/43/458039643.db2.gz DRFLGDJOGVWHNZ-DUXKGJEZSA-N 2 2 343.515 3.446 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427888785 458047424 /nfs/dbraw/zinc/04/74/24/458047424.db2.gz DXRWHDZSQINWBM-GHTZIAJQSA-N 2 2 345.531 3.278 10 0 EGAELP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427888785 458047432 /nfs/dbraw/zinc/04/74/32/458047432.db2.gz DXRWHDZSQINWBM-GHTZIAJQSA-N 2 2 345.531 3.278 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000428584014 458174534 /nfs/dbraw/zinc/17/45/34/458174534.db2.gz OEIBLNNVFKTIIE-GOSISDBHSA-N 2 2 326.444 3.302 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000428584014 458174542 /nfs/dbraw/zinc/17/45/42/458174542.db2.gz OEIBLNNVFKTIIE-GOSISDBHSA-N 2 2 326.444 3.302 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358741462 458184922 /nfs/dbraw/zinc/18/49/22/458184922.db2.gz DTGXNBOOFRGSPY-CRAIPNDOSA-N 2 2 326.431 3.362 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358741462 458184926 /nfs/dbraw/zinc/18/49/26/458184926.db2.gz DTGXNBOOFRGSPY-CRAIPNDOSA-N 2 2 326.431 3.362 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000429550734 458343463 /nfs/dbraw/zinc/34/34/63/458343463.db2.gz YBILCQZUMRHKJV-HKUYNNGSSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000429550734 458343469 /nfs/dbraw/zinc/34/34/69/458343469.db2.gz YBILCQZUMRHKJV-HKUYNNGSSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000429550740 458344308 /nfs/dbraw/zinc/34/43/08/458344308.db2.gz YBILCQZUMRHKJV-PKOBYXMFSA-N 2 2 347.478 3.046 10 0 EGAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000429550740 458344314 /nfs/dbraw/zinc/34/43/14/458344314.db2.gz YBILCQZUMRHKJV-PKOBYXMFSA-N 2 2 347.478 3.046 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423517540 458449733 /nfs/dbraw/zinc/44/97/33/458449733.db2.gz YYRPDBAHXUKKIU-KUHUBIRLSA-N 2 2 346.496 3.003 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431519946 458584808 /nfs/dbraw/zinc/58/48/08/458584808.db2.gz ABKTWHGSHFVJQE-KRWDZBQOSA-N 2 2 342.487 3.116 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431519946 458584812 /nfs/dbraw/zinc/58/48/12/458584812.db2.gz ABKTWHGSHFVJQE-KRWDZBQOSA-N 2 2 342.487 3.116 10 0 EGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431801672 458626874 /nfs/dbraw/zinc/62/68/74/458626874.db2.gz SMRWLPLFNDXDCW-SJLPKXTDSA-N 2 2 349.544 3.218 10 0 EGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431801672 458626878 /nfs/dbraw/zinc/62/68/78/458626878.db2.gz SMRWLPLFNDXDCW-SJLPKXTDSA-N 2 2 349.544 3.218 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ncc(-c3ccccc3)s2)CCCO1 ZINC000432351694 458721718 /nfs/dbraw/zinc/72/17/18/458721718.db2.gz PQXRUYSUDONAOR-MRXNPFEDSA-N 2 2 345.512 3.401 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ncc(-c3ccccc3)s2)CCCO1 ZINC000432351694 458721726 /nfs/dbraw/zinc/72/17/26/458721726.db2.gz PQXRUYSUDONAOR-MRXNPFEDSA-N 2 2 345.512 3.401 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245471 458728775 /nfs/dbraw/zinc/72/87/75/458728775.db2.gz YNBRAVGTOYOTCO-YOEHRIQHSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1C(F)(F)F ZINC000530245471 458728780 /nfs/dbraw/zinc/72/87/80/458728780.db2.gz YNBRAVGTOYOTCO-YOEHRIQHSA-N 2 2 342.405 3.345 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983910 459012266 /nfs/dbraw/zinc/01/22/66/459012266.db2.gz MEGHLGRYKDJMSX-SJORKVTESA-N 2 2 331.504 3.459 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983910 459012276 /nfs/dbraw/zinc/01/22/76/459012276.db2.gz MEGHLGRYKDJMSX-SJORKVTESA-N 2 2 331.504 3.459 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000532213603 459047792 /nfs/dbraw/zinc/04/77/92/459047792.db2.gz HDOCJTVVWYWITD-VXGBXAGGSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000532213603 459047795 /nfs/dbraw/zinc/04/77/95/459047795.db2.gz HDOCJTVVWYWITD-VXGBXAGGSA-N 2 2 347.322 3.272 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578359728 459187912 /nfs/dbraw/zinc/18/79/12/459187912.db2.gz ZYSZKLXGNZWVNC-HRAATJIYSA-N 2 2 337.467 3.242 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578359728 459187918 /nfs/dbraw/zinc/18/79/18/459187918.db2.gz ZYSZKLXGNZWVNC-HRAATJIYSA-N 2 2 337.467 3.242 10 0 EGAELP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC000521899054 459190362 /nfs/dbraw/zinc/19/03/62/459190362.db2.gz HXKVXIVFIHTKJS-KRWDZBQOSA-N 2 2 345.512 3.291 10 0 EGAELP Cc1nc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC000521899054 459190364 /nfs/dbraw/zinc/19/03/64/459190364.db2.gz HXKVXIVFIHTKJS-KRWDZBQOSA-N 2 2 345.512 3.291 10 0 EGAELP CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000480522302 459202191 /nfs/dbraw/zinc/20/21/91/459202191.db2.gz USZQQVGKIHWGAA-SFHVURJKSA-N 2 2 339.487 3.335 10 0 EGAELP CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000480522302 459202195 /nfs/dbraw/zinc/20/21/95/459202195.db2.gz USZQQVGKIHWGAA-SFHVURJKSA-N 2 2 339.487 3.335 10 0 EGAELP C[C@H](CSCCF)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000595023170 459219309 /nfs/dbraw/zinc/21/93/09/459219309.db2.gz SSVFFQRXSZARCR-HUUCEWRRSA-N 2 2 325.497 3.288 10 0 EGAELP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cn2ccccc2n1 ZINC000559893020 459283747 /nfs/dbraw/zinc/28/37/47/459283747.db2.gz IKFABFCSYDVDRR-KRWDZBQOSA-N 2 2 334.467 3.433 10 0 EGAELP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cn2ccccc2n1 ZINC000559893020 459283749 /nfs/dbraw/zinc/28/37/49/459283749.db2.gz IKFABFCSYDVDRR-KRWDZBQOSA-N 2 2 334.467 3.433 10 0 EGAELP Cc1ccc(C(=O)C2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000568408508 459284783 /nfs/dbraw/zinc/28/47/83/459284783.db2.gz OZJVTWGEBCABJC-UHFFFAOYSA-N 2 2 325.456 3.256 10 0 EGAELP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)[nH]1 ZINC000534348063 459321489 /nfs/dbraw/zinc/32/14/89/459321489.db2.gz KMENZZDLKFMLAC-UHFFFAOYSA-N 2 2 325.441 3.308 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591866751 459457639 /nfs/dbraw/zinc/45/76/39/459457639.db2.gz FBBAGTZUOFCVMO-SJLPKXTDSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591866751 459457642 /nfs/dbraw/zinc/45/76/42/459457642.db2.gz FBBAGTZUOFCVMO-SJLPKXTDSA-N 2 2 326.444 3.164 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000591915398 459482509 /nfs/dbraw/zinc/48/25/09/459482509.db2.gz IBCKYQLKCWWYIM-AWEZNQCLSA-N 2 2 337.370 3.330 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000591915398 459482513 /nfs/dbraw/zinc/48/25/13/459482513.db2.gz IBCKYQLKCWWYIM-AWEZNQCLSA-N 2 2 337.370 3.330 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592530 459672500 /nfs/dbraw/zinc/67/25/00/459672500.db2.gz WSMZRXOVSUUUHE-NVXWUHKLSA-N 2 2 329.513 3.312 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543632462 459678091 /nfs/dbraw/zinc/67/80/91/459678091.db2.gz URQPSFTYUGPIMW-VZSQWMKGSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543632462 459678096 /nfs/dbraw/zinc/67/80/96/459678096.db2.gz URQPSFTYUGPIMW-VZSQWMKGSA-N 2 2 349.469 3.080 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)n2c1 ZINC000584277380 459698848 /nfs/dbraw/zinc/69/88/48/459698848.db2.gz BLUBXXLWCRAUFG-DOTOQJQBSA-N 2 2 343.452 3.067 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527806338 459743591 /nfs/dbraw/zinc/74/35/91/459743591.db2.gz JGKBEHKFGVFGIA-SFHVURJKSA-N 2 2 340.471 3.192 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527806338 459743596 /nfs/dbraw/zinc/74/35/96/459743596.db2.gz JGKBEHKFGVFGIA-SFHVURJKSA-N 2 2 340.471 3.192 10 0 EGAELP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(-n2cncn2)c1 ZINC000527806037 459744113 /nfs/dbraw/zinc/74/41/13/459744113.db2.gz CKMKDLULEWBOJD-KRWDZBQOSA-N 2 2 345.878 3.027 10 0 EGAELP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(-n2cncn2)c1 ZINC000527806037 459744119 /nfs/dbraw/zinc/74/41/19/459744119.db2.gz CKMKDLULEWBOJD-KRWDZBQOSA-N 2 2 345.878 3.027 10 0 EGAELP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810016 459745166 /nfs/dbraw/zinc/74/51/66/459745166.db2.gz TUMACTKJEUDMIC-LJQANCHMSA-N 2 2 332.488 3.208 10 0 EGAELP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810016 459745172 /nfs/dbraw/zinc/74/51/72/459745172.db2.gz TUMACTKJEUDMIC-LJQANCHMSA-N 2 2 332.488 3.208 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810197 459745332 /nfs/dbraw/zinc/74/53/32/459745332.db2.gz VCCXGUIZHDQKRT-YFVAEKQCSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527810197 459745339 /nfs/dbraw/zinc/74/53/39/459745339.db2.gz VCCXGUIZHDQKRT-YFVAEKQCSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527810197 459745347 /nfs/dbraw/zinc/74/53/47/459745347.db2.gz VCCXGUIZHDQKRT-YFVAEKQCSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527810197 459745350 /nfs/dbraw/zinc/74/53/50/459745350.db2.gz VCCXGUIZHDQKRT-YFVAEKQCSA-N 2 2 327.516 3.428 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)C[NH+]1CCCC1 ZINC000527846016 459757210 /nfs/dbraw/zinc/75/72/10/459757210.db2.gz DOUJYPYWTVCMCH-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000574367676 459810140 /nfs/dbraw/zinc/81/01/40/459810140.db2.gz KVMONWHILOCHGQ-GFCCVEGCSA-N 2 2 325.441 3.452 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692260 459953205 /nfs/dbraw/zinc/95/32/05/459953205.db2.gz WTDHVZKNHSOBJH-ZSGPHXLJSA-N 2 2 330.472 3.096 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593692260 459953207 /nfs/dbraw/zinc/95/32/07/459953207.db2.gz WTDHVZKNHSOBJH-ZSGPHXLJSA-N 2 2 330.472 3.096 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000588687865 459968040 /nfs/dbraw/zinc/96/80/40/459968040.db2.gz GRLFGBLMXQFNBK-DNVCBOLYSA-N 2 2 332.875 3.484 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000588687865 459968046 /nfs/dbraw/zinc/96/80/46/459968046.db2.gz GRLFGBLMXQFNBK-DNVCBOLYSA-N 2 2 332.875 3.484 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000625184442 460062937 /nfs/dbraw/zinc/06/29/37/460062937.db2.gz HKYVNGHDCVDMMN-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000625184442 460062942 /nfs/dbraw/zinc/06/29/42/460062942.db2.gz HKYVNGHDCVDMMN-OAHLLOKOSA-N 2 2 329.419 3.398 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@H]1n1cc[nH+]c1 ZINC000625260233 460093889 /nfs/dbraw/zinc/09/38/89/460093889.db2.gz BDFZSGDVEGNLMM-SCLBCKFNSA-N 2 2 340.402 3.269 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C[C@H]1n1cc[nH+]c1 ZINC000625260233 460093895 /nfs/dbraw/zinc/09/38/95/460093895.db2.gz BDFZSGDVEGNLMM-SCLBCKFNSA-N 2 2 340.402 3.269 10 0 EGAELP C[C@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000598965091 460106725 /nfs/dbraw/zinc/10/67/25/460106725.db2.gz VBOFMXRFCRIDPA-CYBMUJFWSA-N 2 2 335.473 3.326 10 0 EGAELP C[NH+](C)C1CC(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000622009553 460159213 /nfs/dbraw/zinc/15/92/13/460159213.db2.gz AGBZOUYBFCWZQF-UHFFFAOYSA-N 2 2 345.830 3.350 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162965 /nfs/dbraw/zinc/16/29/65/460162965.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 2 2 326.431 3.458 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162971 /nfs/dbraw/zinc/16/29/71/460162971.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 2 2 326.431 3.458 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162977 /nfs/dbraw/zinc/16/29/77/460162977.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 2 2 326.431 3.458 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162985 /nfs/dbraw/zinc/16/29/85/460162985.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 2 2 326.431 3.458 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCCC2CCOCC2)CC1 ZINC000626089277 460367742 /nfs/dbraw/zinc/36/77/42/460367742.db2.gz JGQCNUTXPTTWNA-UHFFFAOYSA-N 2 2 338.536 3.160 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC000626089117 460367824 /nfs/dbraw/zinc/36/78/24/460367824.db2.gz BEEWOQINEXYJDS-LJQANCHMSA-N 2 2 338.536 3.159 10 0 EGAELP Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632536584 460770541 /nfs/dbraw/zinc/77/05/41/460770541.db2.gz OJTBGGNDTAFDLA-UHFFFAOYSA-N 2 2 335.411 3.059 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C[NH2+]1 ZINC000629536492 460798809 /nfs/dbraw/zinc/79/88/09/460798809.db2.gz GGJNKUFQVVHFMQ-ZLDLUXBVSA-N 2 2 339.277 3.393 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[NH2+]1 ZINC000629535090 460798899 /nfs/dbraw/zinc/79/88/99/460798899.db2.gz BNZVAHJUTNMLBM-QNDFHXLGSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[NH2+]1 ZINC000629535090 460798904 /nfs/dbraw/zinc/79/89/04/460798904.db2.gz BNZVAHJUTNMLBM-QNDFHXLGSA-N 3 2 327.516 3.017 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000629549488 460804450 /nfs/dbraw/zinc/80/44/50/460804450.db2.gz WVXJHHGTLAQIAP-ZLKJLUDKSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1OCC(F)(F)F)C2 ZINC000629585409 460815422 /nfs/dbraw/zinc/81/54/22/460815422.db2.gz UQQLMDHKPWKPFW-IYBDPMFKSA-N 2 2 328.378 3.059 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1OCC(F)(F)F)C2 ZINC000629585409 460815423 /nfs/dbraw/zinc/81/54/23/460815423.db2.gz UQQLMDHKPWKPFW-IYBDPMFKSA-N 2 2 328.378 3.059 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC000629595332 460820050 /nfs/dbraw/zinc/82/00/50/460820050.db2.gz PYXITECZSPWKDT-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC000629595332 460820056 /nfs/dbraw/zinc/82/00/56/460820056.db2.gz PYXITECZSPWKDT-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Nc1cccc(F)c1 ZINC000629601249 460824055 /nfs/dbraw/zinc/82/40/55/460824055.db2.gz BHSULJFCWSGYTE-SFHVURJKSA-N 2 2 333.451 3.151 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Nc1cccc(F)c1 ZINC000629601249 460824060 /nfs/dbraw/zinc/82/40/60/460824060.db2.gz BHSULJFCWSGYTE-SFHVURJKSA-N 2 2 333.451 3.151 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@]3(C)C[C@H]4C[C@H]4C3)c2cc1C ZINC000629605233 460825480 /nfs/dbraw/zinc/82/54/80/460825480.db2.gz ZKYIYOWKNFCADQ-AXVVYFOYSA-N 2 2 327.472 3.040 10 0 EGAELP C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[NH2+]1 ZINC000629659464 460851920 /nfs/dbraw/zinc/85/19/20/460851920.db2.gz AICLDFTYMMELEX-QFBILLFUSA-N 2 2 347.466 3.164 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629659623 460853132 /nfs/dbraw/zinc/85/31/32/460853132.db2.gz DDWCNUZSAKTAOG-GUYCJALGSA-N 2 2 346.906 3.432 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000629660263 460853171 /nfs/dbraw/zinc/85/31/71/460853171.db2.gz QVZZRFJUXKYDKM-IAQYHMDHSA-N 2 2 338.377 3.326 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000629664531 460855350 /nfs/dbraw/zinc/85/53/50/460855350.db2.gz KMFYRCAPRAKDRA-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000629664531 460855356 /nfs/dbraw/zinc/85/53/56/460855356.db2.gz KMFYRCAPRAKDRA-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@H]3COCC[NH2+]3)c2)c1 ZINC000629733106 460894388 /nfs/dbraw/zinc/89/43/88/460894388.db2.gz ZHEXWSBPTDTQPL-HXUWFJFHSA-N 2 2 337.398 3.398 10 0 EGAELP Cc1cc(C)c(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)c(C)[nH+]1 ZINC000632945529 460899057 /nfs/dbraw/zinc/89/90/57/460899057.db2.gz GMFYEBPQWQMHGQ-KRWDZBQOSA-N 2 2 326.444 3.088 10 0 EGAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189708 460904275 /nfs/dbraw/zinc/90/42/75/460904275.db2.gz YSLJFCURLDGOBP-SJLPKXTDSA-N 2 2 329.488 3.319 10 0 EGAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189708 460904281 /nfs/dbraw/zinc/90/42/81/460904281.db2.gz YSLJFCURLDGOBP-SJLPKXTDSA-N 2 2 329.488 3.319 10 0 EGAELP C[N@H+](C[C@@]1(C)CCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157482 461023219 /nfs/dbraw/zinc/02/32/19/461023219.db2.gz IZKNTUVIOPSKRB-LJQANCHMSA-N 2 2 333.545 3.306 10 0 EGAELP C[N@@H+](C[C@@]1(C)CCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157482 461023226 /nfs/dbraw/zinc/02/32/26/461023226.db2.gz IZKNTUVIOPSKRB-LJQANCHMSA-N 2 2 333.545 3.306 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662264652 461149723 /nfs/dbraw/zinc/14/97/23/461149723.db2.gz RYSPIJBQPMTNDG-HOCLYGCPSA-N 2 2 331.485 3.100 10 0 EGAELP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662264652 461149730 /nfs/dbraw/zinc/14/97/30/461149730.db2.gz RYSPIJBQPMTNDG-HOCLYGCPSA-N 2 2 331.485 3.100 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668169316 461154730 /nfs/dbraw/zinc/15/47/30/461154730.db2.gz NRZKSMHMCXFAQM-UHFFFAOYSA-N 2 2 343.397 3.110 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668169316 461154738 /nfs/dbraw/zinc/15/47/38/461154738.db2.gz NRZKSMHMCXFAQM-UHFFFAOYSA-N 2 2 343.397 3.110 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C2CCC2)cnn1C ZINC000668169790 461154770 /nfs/dbraw/zinc/15/47/70/461154770.db2.gz ZXPAJMMMCNJKSK-UHFFFAOYSA-N 2 2 329.492 3.359 10 0 EGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000668169790 461154779 /nfs/dbraw/zinc/15/47/79/461154779.db2.gz ZXPAJMMMCNJKSK-UHFFFAOYSA-N 2 2 329.492 3.359 10 0 EGAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566490 461179155 /nfs/dbraw/zinc/17/91/55/461179155.db2.gz MCTHDMGRTPJPKQ-OXJNMPFZSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566490 461179165 /nfs/dbraw/zinc/17/91/65/461179165.db2.gz MCTHDMGRTPJPKQ-OXJNMPFZSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000649566490 461179176 /nfs/dbraw/zinc/17/91/76/461179176.db2.gz MCTHDMGRTPJPKQ-OXJNMPFZSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000649566490 461179181 /nfs/dbraw/zinc/17/91/81/461179181.db2.gz MCTHDMGRTPJPKQ-OXJNMPFZSA-N 2 2 329.488 3.318 10 0 EGAELP c1ccc(N2CC[C@@H](C[N@@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637996000 461182151 /nfs/dbraw/zinc/18/21/51/461182151.db2.gz KYXBONGTKJJBJC-PZJWPPBQSA-N 2 2 327.516 3.463 10 0 EGAELP c1ccc(N2CC[C@@H](C[N@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000637996000 461182157 /nfs/dbraw/zinc/18/21/57/461182157.db2.gz KYXBONGTKJJBJC-PZJWPPBQSA-N 2 2 327.516 3.463 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000649569381 461183020 /nfs/dbraw/zinc/18/30/20/461183020.db2.gz JYILNASLWRMOMD-HXUWFJFHSA-N 2 2 325.456 3.358 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000649569381 461183028 /nfs/dbraw/zinc/18/30/28/461183028.db2.gz JYILNASLWRMOMD-HXUWFJFHSA-N 2 2 325.456 3.358 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000649571143 461185121 /nfs/dbraw/zinc/18/51/21/461185121.db2.gz ADSZNGYILLQNPH-UHFFFAOYSA-N 2 2 326.444 3.340 10 0 EGAELP CCOc1cccc(Cl)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326093 461192587 /nfs/dbraw/zinc/19/25/87/461192587.db2.gz NJLMYFFLEQYKHJ-OAHLLOKOSA-N 2 2 340.895 3.281 10 0 EGAELP CCOc1cccc(Cl)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326093 461192591 /nfs/dbraw/zinc/19/25/91/461192591.db2.gz NJLMYFFLEQYKHJ-OAHLLOKOSA-N 2 2 340.895 3.281 10 0 EGAELP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183055 461293192 /nfs/dbraw/zinc/29/31/92/461293192.db2.gz RWUSKPYFRXUUMO-FXAWDEMLSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183055 461293197 /nfs/dbraw/zinc/29/31/97/461293197.db2.gz RWUSKPYFRXUUMO-FXAWDEMLSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183055 461293201 /nfs/dbraw/zinc/29/32/01/461293201.db2.gz RWUSKPYFRXUUMO-FXAWDEMLSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183055 461293206 /nfs/dbraw/zinc/29/32/06/461293206.db2.gz RWUSKPYFRXUUMO-FXAWDEMLSA-N 2 2 328.504 3.132 10 0 EGAELP CC(C)([NH3+])c1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)on1 ZINC000662707313 461353356 /nfs/dbraw/zinc/35/33/56/461353356.db2.gz JITYUTAXSVGAET-UHFFFAOYSA-N 2 2 339.399 3.265 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@@H]1c1cccs1 ZINC000655743427 461409053 /nfs/dbraw/zinc/40/90/53/461409053.db2.gz IFKMTWRTMGUGJS-DNVCBOLYSA-N 2 2 344.528 3.454 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@@H]1c1cccs1 ZINC000655743427 461409062 /nfs/dbraw/zinc/40/90/62/461409062.db2.gz IFKMTWRTMGUGJS-DNVCBOLYSA-N 2 2 344.528 3.454 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)[C@H]21 ZINC000668744354 461412487 /nfs/dbraw/zinc/41/24/87/461412487.db2.gz MKCQRDAIZWXGSJ-PWRODBHTSA-N 2 2 337.442 3.113 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)[C@H]21 ZINC000668744347 461412982 /nfs/dbraw/zinc/41/29/82/461412982.db2.gz MKCQRDAIZWXGSJ-HBMCJLEFSA-N 2 2 337.442 3.113 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655789088 461446685 /nfs/dbraw/zinc/44/66/85/461446685.db2.gz VNBYWLPMSZKEBB-HZPDHXFCSA-N 2 2 334.426 3.341 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c21 ZINC000642116137 461449727 /nfs/dbraw/zinc/44/97/27/461449727.db2.gz PDCSXFARCUPEAQ-NSHDSACASA-N 2 2 336.374 3.357 10 0 EGAELP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@](C)(C(F)F)O1 ZINC000668822755 461453101 /nfs/dbraw/zinc/45/31/01/461453101.db2.gz ZWQBQULMIPWAJM-NHYWBVRUSA-N 2 2 327.400 3.178 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@](C)(C(F)F)O1 ZINC000668822755 461453111 /nfs/dbraw/zinc/45/31/11/461453111.db2.gz ZWQBQULMIPWAJM-NHYWBVRUSA-N 2 2 327.400 3.178 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000663303314 461548687 /nfs/dbraw/zinc/54/86/87/461548687.db2.gz FSFLBEJBCIVCLS-GXTWGEPZSA-N 2 2 326.843 3.383 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000663337972 461565536 /nfs/dbraw/zinc/56/55/36/461565536.db2.gz MYOSPKGVNZCYRN-UHFFFAOYSA-N 2 2 336.361 3.126 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2n(n1)CCCC2 ZINC000647284815 461613227 /nfs/dbraw/zinc/61/32/27/461613227.db2.gz JTPTXEDLMUQKGM-CQSZACIVSA-N 2 2 339.418 3.395 10 0 EGAELP COCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631196286 461635773 /nfs/dbraw/zinc/63/57/73/461635773.db2.gz PYQDKHUTPKLMKW-RDJZCZTQSA-N 2 2 345.512 3.147 10 0 EGAELP COCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631196286 461635782 /nfs/dbraw/zinc/63/57/82/461635782.db2.gz PYQDKHUTPKLMKW-RDJZCZTQSA-N 2 2 345.512 3.147 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647344238 461647998 /nfs/dbraw/zinc/64/79/98/461647998.db2.gz MLIPFTVRBIUUQT-HKBOAZHASA-N 2 2 346.478 3.434 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647344238 461648006 /nfs/dbraw/zinc/64/80/06/461648006.db2.gz MLIPFTVRBIUUQT-HKBOAZHASA-N 2 2 346.478 3.434 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480336 461728217 /nfs/dbraw/zinc/72/82/17/461728217.db2.gz JXOGCWBXDKJJLI-WBMJQRKESA-N 2 2 339.277 3.119 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480336 461728210 /nfs/dbraw/zinc/72/82/10/461728210.db2.gz JXOGCWBXDKJJLI-WBMJQRKESA-N 2 2 339.277 3.119 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481049 461730970 /nfs/dbraw/zinc/73/09/70/461730970.db2.gz YDLDMECSOKKNIX-GOEBONIOSA-N 2 2 338.879 3.321 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647481049 461730977 /nfs/dbraw/zinc/73/09/77/461730977.db2.gz YDLDMECSOKKNIX-GOEBONIOSA-N 2 2 338.879 3.321 10 0 EGAELP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487428 461732441 /nfs/dbraw/zinc/73/24/41/461732441.db2.gz AQMJVMZTLGCCDR-JWTNVVGKSA-N 2 2 344.890 3.300 10 0 EGAELP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487428 461732447 /nfs/dbraw/zinc/73/24/47/461732447.db2.gz AQMJVMZTLGCCDR-JWTNVVGKSA-N 2 2 344.890 3.300 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000653617298 461763742 /nfs/dbraw/zinc/76/37/42/461763742.db2.gz BSJULCVXKKHQLB-UHFFFAOYSA-N 2 2 340.471 3.239 10 0 EGAELP COc1sc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647553824 461764575 /nfs/dbraw/zinc/76/45/75/461764575.db2.gz KIUGIFGQPCPZJP-GFCCVEGCSA-N 2 2 345.306 3.284 10 0 EGAELP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000647553591 461765143 /nfs/dbraw/zinc/76/51/43/461765143.db2.gz DNBGJAQUXQQZDO-GOSISDBHSA-N 2 2 344.890 3.349 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660466850 461797237 /nfs/dbraw/zinc/79/72/37/461797237.db2.gz WGTKNFZAVSAJCI-UHFFFAOYSA-N 2 2 338.480 3.364 10 0 EGAELP OC[C@]1([NH2+][C@H]2CC[C@@H]2C2CCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000669848530 461815048 /nfs/dbraw/zinc/81/50/48/461815048.db2.gz CCGDQKDNYNNWBE-HKBOAZHASA-N 2 2 328.500 3.182 10 0 EGAELP OC[C@]1([NH2+][C@H]2CC[C@@H]2C2CCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669848530 461815051 /nfs/dbraw/zinc/81/50/51/461815051.db2.gz CCGDQKDNYNNWBE-HKBOAZHASA-N 2 2 328.500 3.182 10 0 EGAELP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541804 461843086 /nfs/dbraw/zinc/84/30/86/461843086.db2.gz YJBNGXWKBAUSJU-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000660541804 461843092 /nfs/dbraw/zinc/84/30/92/461843092.db2.gz YJBNGXWKBAUSJU-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000660541804 461843098 /nfs/dbraw/zinc/84/30/98/461843098.db2.gz YJBNGXWKBAUSJU-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000660541804 461843105 /nfs/dbraw/zinc/84/31/05/461843105.db2.gz YJBNGXWKBAUSJU-ZWKOTPCHSA-N 2 2 336.426 3.009 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000656701874 461848254 /nfs/dbraw/zinc/84/82/54/461848254.db2.gz FBJZDSIXNCLOMD-RTBURBONSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000656701874 461848259 /nfs/dbraw/zinc/84/82/59/461848259.db2.gz FBJZDSIXNCLOMD-RTBURBONSA-N 2 2 342.483 3.042 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902001 461876195 /nfs/dbraw/zinc/87/61/95/461876195.db2.gz YNAGRNXZXHRUAW-HZSPNIEDSA-N 2 2 332.473 3.323 10 0 EGAELP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902001 461876205 /nfs/dbraw/zinc/87/62/05/461876205.db2.gz YNAGRNXZXHRUAW-HZSPNIEDSA-N 2 2 332.473 3.323 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901541 461877335 /nfs/dbraw/zinc/87/73/35/461877335.db2.gz QESCVTPTJSYIMS-OIISXLGYSA-N 2 2 326.444 3.262 10 0 EGAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901541 461877340 /nfs/dbraw/zinc/87/73/40/461877340.db2.gz QESCVTPTJSYIMS-OIISXLGYSA-N 2 2 326.444 3.262 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903678 461878181 /nfs/dbraw/zinc/87/81/81/461878181.db2.gz OFGCOXTZFMXYPZ-MAUKXSAKSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903678 461878185 /nfs/dbraw/zinc/87/81/85/461878185.db2.gz OFGCOXTZFMXYPZ-MAUKXSAKSA-N 2 2 342.512 3.273 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCO1 ZINC000653874148 461910850 /nfs/dbraw/zinc/91/08/50/461910850.db2.gz BVVFJQMYNKBUJZ-PCCBWWKXSA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCO1 ZINC000653874148 461910857 /nfs/dbraw/zinc/91/08/57/461910857.db2.gz BVVFJQMYNKBUJZ-PCCBWWKXSA-N 2 2 346.515 3.215 10 0 EGAELP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2coc(C)n2)CC1 ZINC000647970570 461913655 /nfs/dbraw/zinc/91/36/55/461913655.db2.gz YBRQNZPSVVAGLW-CQSZACIVSA-N 2 2 346.450 3.115 10 0 EGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650763596 461941864 /nfs/dbraw/zinc/94/18/64/461941864.db2.gz FDCUYWQMJMHZGW-IUODEOHRSA-N 2 2 328.378 3.051 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nc(C4CCC4)no3)C2)n2c1CCCC2 ZINC000639626740 462025452 /nfs/dbraw/zinc/02/54/52/462025452.db2.gz YMCJSBCQIZJMHP-OAHLLOKOSA-N 2 2 341.459 3.250 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nc(C4CCC4)no3)C2)n2c1CCCC2 ZINC000639626740 462025460 /nfs/dbraw/zinc/02/54/60/462025460.db2.gz YMCJSBCQIZJMHP-OAHLLOKOSA-N 2 2 341.459 3.250 10 0 EGAELP Fc1cncc(Br)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667533628 462129834 /nfs/dbraw/zinc/12/98/34/462129834.db2.gz YONVBQCPWPLTGJ-JTQLQIEISA-N 2 2 339.212 3.086 10 0 EGAELP CCCn1nccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000657453249 462133748 /nfs/dbraw/zinc/13/37/48/462133748.db2.gz UBHLCTZTEQXQBE-UHFFFAOYSA-N 2 2 344.425 3.188 10 0 EGAELP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1OCCc2ccccc21 ZINC000667547674 462136929 /nfs/dbraw/zinc/13/69/29/462136929.db2.gz UMONTCJPUKKKDF-FQEVSTJZSA-N 2 2 334.423 3.013 10 0 EGAELP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1OCCc2ccccc21 ZINC000667547674 462136935 /nfs/dbraw/zinc/13/69/35/462136935.db2.gz UMONTCJPUKKKDF-FQEVSTJZSA-N 2 2 334.423 3.013 10 0 EGAELP Cc1[nH+]cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)n1C ZINC000657506985 462161023 /nfs/dbraw/zinc/16/10/23/462161023.db2.gz YWJUZEWYDYQBLE-UHFFFAOYSA-N 2 2 325.334 3.406 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccsc2)O1 ZINC000667680963 462210249 /nfs/dbraw/zinc/21/02/49/462210249.db2.gz XPZQDJOQDQSDJT-KDOFPFPSSA-N 2 2 340.452 3.291 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](c2ccsc2)O1 ZINC000667680963 462210256 /nfs/dbraw/zinc/21/02/56/462210256.db2.gz XPZQDJOQDQSDJT-KDOFPFPSSA-N 2 2 340.452 3.291 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000657773912 462261678 /nfs/dbraw/zinc/26/16/78/462261678.db2.gz VYHZKOMCNBZSDB-LJQANCHMSA-N 2 2 338.499 3.120 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000657773912 462261681 /nfs/dbraw/zinc/26/16/81/462261681.db2.gz VYHZKOMCNBZSDB-LJQANCHMSA-N 2 2 338.499 3.120 10 0 EGAELP FCC1(CF)CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000657998699 462341163 /nfs/dbraw/zinc/34/11/63/462341163.db2.gz OCPAVPQTENUOAK-UHFFFAOYSA-N 2 2 340.380 3.469 10 0 EGAELP COc1cc2ccc([C@@H](C)[NH2+]CCc3cn(C)c[nH+]3)cc2cc1OC ZINC000658036577 462353585 /nfs/dbraw/zinc/35/35/85/462353585.db2.gz XGQIMYLZZYFCIJ-CQSZACIVSA-N 2 2 339.439 3.484 10 0 EGAELP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256134 462371725 /nfs/dbraw/zinc/37/17/25/462371725.db2.gz PRQSGEYHQDMXOP-CDHQVMDDSA-N 2 2 339.483 3.449 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661704048 462373598 /nfs/dbraw/zinc/37/35/98/462373598.db2.gz NIPOKUGWUCKQAD-XLIONFOSSA-N 2 2 327.472 3.483 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661704048 462373605 /nfs/dbraw/zinc/37/36/05/462373605.db2.gz NIPOKUGWUCKQAD-XLIONFOSSA-N 2 2 327.472 3.483 10 0 EGAELP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1ccncc1 ZINC000665259675 462374416 /nfs/dbraw/zinc/37/44/16/462374416.db2.gz MRKHDXUPASCURN-BHIYHBOVSA-N 2 2 343.446 3.416 10 0 EGAELP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259666 462374749 /nfs/dbraw/zinc/37/47/49/462374749.db2.gz MNGHZMLNQKXQSE-JFIYKMOQSA-N 2 2 338.467 3.075 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661787161 462411117 /nfs/dbraw/zinc/41/11/17/462411117.db2.gz ZGBBRJBDOBSNKE-NQIIRXRSSA-N 2 2 349.482 3.415 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000132879725 529204595 /nfs/dbraw/zinc/20/45/95/529204595.db2.gz WYZNBEWGOXNMKH-UONOGXRCSA-N 2 2 347.488 3.213 10 0 EGAELP CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000132879725 529204597 /nfs/dbraw/zinc/20/45/97/529204597.db2.gz WYZNBEWGOXNMKH-UONOGXRCSA-N 2 2 347.488 3.213 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196197 546840407 /nfs/dbraw/zinc/84/04/07/546840407.db2.gz YBWZMBPCVOBMKN-YOEHRIQHSA-N 2 2 334.826 3.052 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196197 546840409 /nfs/dbraw/zinc/84/04/09/546840409.db2.gz YBWZMBPCVOBMKN-YOEHRIQHSA-N 2 2 334.826 3.052 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000678926121 549596028 /nfs/dbraw/zinc/59/60/28/549596028.db2.gz UKGYDAZTPZVITK-RCCFBDPRSA-N 2 2 327.472 3.497 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000679769758 549774501 /nfs/dbraw/zinc/77/45/01/549774501.db2.gz LBTPKMGQVUSTMT-GOSISDBHSA-N 2 2 326.431 3.362 10 0 EGAELP CCc1nnc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000680056005 549812823 /nfs/dbraw/zinc/81/28/23/549812823.db2.gz CKSRDGXMRTYUGO-UHFFFAOYSA-N 2 2 345.516 3.234 10 0 EGAELP CCc1nnc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000680056005 549812825 /nfs/dbraw/zinc/81/28/25/549812825.db2.gz CKSRDGXMRTYUGO-UHFFFAOYSA-N 2 2 345.516 3.234 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000680580201 549882503 /nfs/dbraw/zinc/88/25/03/549882503.db2.gz STPOAKDGZWRZFQ-UHFFFAOYSA-N 2 2 342.390 3.188 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000683022507 550179249 /nfs/dbraw/zinc/17/92/49/550179249.db2.gz JCHFOAZLTRFULY-UTKZUKDTSA-N 2 2 335.451 3.435 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000683022505 550179382 /nfs/dbraw/zinc/17/93/82/550179382.db2.gz JCHFOAZLTRFULY-DYESRHJHSA-N 2 2 335.451 3.435 10 0 EGAELP c1cn(-c2cc(C[NH2+]Cc3cnc(-c4ccccc4)nc3)ccn2)c[nH+]1 ZINC000731451197 575074719 /nfs/dbraw/zinc/07/47/19/575074719.db2.gz BXYRZTGEWFYAJJ-UHFFFAOYSA-N 2 2 342.406 3.014 10 0 EGAELP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000732204847 575244618 /nfs/dbraw/zinc/24/46/18/575244618.db2.gz TVBZLCRIJSWTGS-INIZCTEOSA-N 2 2 339.361 3.272 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000742424586 576782788 /nfs/dbraw/zinc/78/27/88/576782788.db2.gz MJNRJWXLRNYBAU-KRWDZBQOSA-N 2 2 348.454 3.206 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C(F)(F)F ZINC000872152555 1296769446 /nfs/dbraw/zinc/76/94/46/1296769446.db2.gz SZKDKTMYPBWQHX-WCQYABFASA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C(F)(F)F ZINC000872152555 1296769460 /nfs/dbraw/zinc/76/94/60/1296769460.db2.gz SZKDKTMYPBWQHX-WCQYABFASA-N 2 2 343.780 3.457 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000379760295 1297541219 /nfs/dbraw/zinc/54/12/19/1297541219.db2.gz BAUYXZQKIVJEDH-TZIWHRDSSA-N 2 2 329.532 3.361 10 0 EGAELP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000386862077 1297594003 /nfs/dbraw/zinc/59/40/03/1297594003.db2.gz JQSIHJXWQAKCSU-DENIHFKCSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000386862077 1297594012 /nfs/dbraw/zinc/59/40/12/1297594012.db2.gz JQSIHJXWQAKCSU-DENIHFKCSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@@H](NCC[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862077 1297594017 /nfs/dbraw/zinc/59/40/17/1297594017.db2.gz JQSIHJXWQAKCSU-DENIHFKCSA-N 2 2 337.511 3.371 10 0 EGAELP C[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000386862077 1297594023 /nfs/dbraw/zinc/59/40/23/1297594023.db2.gz JQSIHJXWQAKCSU-DENIHFKCSA-N 2 2 337.511 3.371 10 0 EGAELP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892461689 1305386610 /nfs/dbraw/zinc/38/66/10/1305386610.db2.gz HYZVYEXWZSJQEL-UHFFFAOYSA-N 2 2 328.485 3.301 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2c(F)ccc(O)c2F)c2cccc[nH+]2)CC1 ZINC000895111484 1309194864 /nfs/dbraw/zinc/19/48/64/1309194864.db2.gz GKYIAQJRITWKPY-JOCQHMNTSA-N 2 2 333.382 3.342 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cnc1Br ZINC000929842862 1328717846 /nfs/dbraw/zinc/71/78/46/1328717846.db2.gz DSZFOQVHVFFBIE-HUUCEWRRSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000929842862 1328717849 /nfs/dbraw/zinc/71/78/49/1328717849.db2.gz DSZFOQVHVFFBIE-HUUCEWRRSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842862 1328717852 /nfs/dbraw/zinc/71/78/52/1328717852.db2.gz DSZFOQVHVFFBIE-HUUCEWRRSA-N 2 2 338.293 3.069 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cnc1Br ZINC000929842862 1328717855 /nfs/dbraw/zinc/71/78/55/1328717855.db2.gz DSZFOQVHVFFBIE-HUUCEWRRSA-N 2 2 338.293 3.069 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129494 1328792620 /nfs/dbraw/zinc/79/26/20/1328792620.db2.gz QKLQLIZGCWENBK-KBPBESRZSA-N 2 2 329.366 3.068 10 0 EGAELP C[NH+](C)CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629259 1322575178 /nfs/dbraw/zinc/57/51/78/1322575178.db2.gz VDOKEZAVIGYXMR-APWZRJJASA-N 2 2 325.456 3.230 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000924539356 1323046619 /nfs/dbraw/zinc/04/66/19/1323046619.db2.gz CJPYCIBFVSPVQB-HKUYNNGSSA-N 2 2 332.536 3.294 10 0 EGAELP CC1(C)CC2(CC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)C2)CO1 ZINC000924626428 1323081364 /nfs/dbraw/zinc/08/13/64/1323081364.db2.gz VUQGKWVPWBZQBM-UHFFFAOYSA-N 2 2 325.456 3.369 10 0 EGAELP c1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924652251 1323094091 /nfs/dbraw/zinc/09/40/91/1323094091.db2.gz FGBZOMHFFIZPJP-UXHICEINSA-N 2 2 328.500 3.341 10 0 EGAELP c1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCOCC2)cc1 ZINC000924652251 1323094097 /nfs/dbraw/zinc/09/40/97/1323094097.db2.gz FGBZOMHFFIZPJP-UXHICEINSA-N 2 2 328.500 3.341 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000924805136 1323170491 /nfs/dbraw/zinc/17/04/91/1323170491.db2.gz USKXELABECIGSV-YESZJQIVSA-N 2 2 342.405 3.345 10 0 EGAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000924805136 1323170499 /nfs/dbraw/zinc/17/04/99/1323170499.db2.gz USKXELABECIGSV-YESZJQIVSA-N 2 2 342.405 3.345 10 0 EGAELP COc1cc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1OC(F)F ZINC000931309748 1329090992 /nfs/dbraw/zinc/09/09/92/1329090992.db2.gz SWYNTZGGPUKTFI-HDICACEKSA-N 2 2 340.414 3.070 10 0 EGAELP COc1cc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1OC(F)F ZINC000931309748 1329090994 /nfs/dbraw/zinc/09/09/94/1329090994.db2.gz SWYNTZGGPUKTFI-HDICACEKSA-N 2 2 340.414 3.070 10 0 EGAELP COc1cc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)ccc1OC(F)F ZINC000931309748 1329090997 /nfs/dbraw/zinc/09/09/97/1329090997.db2.gz SWYNTZGGPUKTFI-HDICACEKSA-N 2 2 340.414 3.070 10 0 EGAELP COc1cc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)ccc1OC(F)F ZINC000931309748 1329091002 /nfs/dbraw/zinc/09/10/02/1329091002.db2.gz SWYNTZGGPUKTFI-HDICACEKSA-N 2 2 340.414 3.070 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1-c1ccccn1 ZINC000925444798 1325152740 /nfs/dbraw/zinc/15/27/40/1325152740.db2.gz WWSLAQPVIPFXNO-AEFFLSMTSA-N 2 2 342.512 3.354 10 0 EGAELP c1sc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1-c1ccccn1 ZINC000925444798 1325152744 /nfs/dbraw/zinc/15/27/44/1325152744.db2.gz WWSLAQPVIPFXNO-AEFFLSMTSA-N 2 2 342.512 3.354 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925449520 1325153811 /nfs/dbraw/zinc/15/38/11/1325153811.db2.gz JVDFQBDWXHSSMU-ZWKOTPCHSA-N 2 2 331.460 3.014 10 0 EGAELP COC(=O)Nc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925449520 1325153812 /nfs/dbraw/zinc/15/38/12/1325153812.db2.gz JVDFQBDWXHSSMU-ZWKOTPCHSA-N 2 2 331.460 3.014 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925596547 1325226564 /nfs/dbraw/zinc/22/65/64/1325226564.db2.gz WWGDMURQJBBUCQ-LSTHTHJFSA-N 2 2 331.504 3.258 10 0 EGAELP Fc1ccc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccn2)cc1 ZINC000925846032 1325327143 /nfs/dbraw/zinc/32/71/43/1325327143.db2.gz NDOLAYCFPRKBNQ-HSALFYBXSA-N 2 2 325.431 3.432 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000926112316 1325432157 /nfs/dbraw/zinc/43/21/57/1325432157.db2.gz RVRKKOGUGSUUGY-FUHWJXTLSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000926112316 1325432158 /nfs/dbraw/zinc/43/21/58/1325432158.db2.gz RVRKKOGUGSUUGY-FUHWJXTLSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000926112317 1325432874 /nfs/dbraw/zinc/43/28/74/1325432874.db2.gz RVRKKOGUGSUUGY-SJLPKXTDSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000926112317 1325432877 /nfs/dbraw/zinc/43/28/77/1325432877.db2.gz RVRKKOGUGSUUGY-SJLPKXTDSA-N 2 2 327.472 3.326 10 0 EGAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926329935 1325518091 /nfs/dbraw/zinc/51/80/91/1325518091.db2.gz IFUOAKXKZUFYGF-WXIPNAQESA-N 2 2 334.426 3.052 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+](C)C ZINC000926962812 1327800920 /nfs/dbraw/zinc/80/09/20/1327800920.db2.gz NCIXZPHCFUPXNO-ZYHUDNBSSA-N 2 2 334.291 3.193 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)c1 ZINC000865437949 1329697506 /nfs/dbraw/zinc/69/75/06/1329697506.db2.gz IOHWVFRKBUETHJ-OAHLLOKOSA-N 2 2 330.501 3.281 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)c1 ZINC000865437949 1329697508 /nfs/dbraw/zinc/69/75/08/1329697508.db2.gz IOHWVFRKBUETHJ-OAHLLOKOSA-N 2 2 330.501 3.281 10 0 EGAELP CSc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000866341203 1330098774 /nfs/dbraw/zinc/09/87/74/1330098774.db2.gz XARQAAUXXPUMOC-UXHICEINSA-N 2 2 342.508 3.154 10 0 EGAELP CSc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000866341203 1330098777 /nfs/dbraw/zinc/09/87/77/1330098777.db2.gz XARQAAUXXPUMOC-UXHICEINSA-N 2 2 342.508 3.154 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)c1 ZINC000866702293 1330142507 /nfs/dbraw/zinc/14/25/07/1330142507.db2.gz AHGOSSCYXCEPLA-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)c1 ZINC000866702293 1330142508 /nfs/dbraw/zinc/14/25/08/1330142508.db2.gz AHGOSSCYXCEPLA-IBGZPJMESA-N 2 2 328.460 3.242 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706993 1330143306 /nfs/dbraw/zinc/14/33/06/1330143306.db2.gz RWIAFZYVDRAADB-QFBILLFUSA-N 2 2 349.906 3.142 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000866706993 1330143309 /nfs/dbraw/zinc/14/33/09/1330143309.db2.gz RWIAFZYVDRAADB-QFBILLFUSA-N 2 2 349.906 3.142 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706188 1330143426 /nfs/dbraw/zinc/14/34/26/1330143426.db2.gz GDAURVBPGVYFOS-LJQANCHMSA-N 2 2 332.467 3.392 10 0 EGAELP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706188 1330143429 /nfs/dbraw/zinc/14/34/29/1330143429.db2.gz GDAURVBPGVYFOS-LJQANCHMSA-N 2 2 332.467 3.392 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000866706632 1330143473 /nfs/dbraw/zinc/14/34/73/1330143473.db2.gz PRSSSVIRSVBMSJ-HXUWFJFHSA-N 2 2 326.488 3.128 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000866706632 1330143475 /nfs/dbraw/zinc/14/34/75/1330143475.db2.gz PRSSSVIRSVBMSJ-HXUWFJFHSA-N 2 2 326.488 3.128 10 0 EGAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001323035395 1387271600 /nfs/dbraw/zinc/27/16/00/1387271600.db2.gz KJDDMAFAHFHWHG-DKFQHHCZSA-N 2 2 329.488 3.461 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263048 1387319583 /nfs/dbraw/zinc/31/95/83/1387319583.db2.gz QVJNWPCDVHEDIM-DWTRPJMMSA-N 2 2 326.444 3.113 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323263048 1387319584 /nfs/dbraw/zinc/31/95/84/1387319584.db2.gz QVJNWPCDVHEDIM-DWTRPJMMSA-N 2 2 326.444 3.113 10 0 EGAELP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302481 1387328545 /nfs/dbraw/zinc/32/85/45/1387328545.db2.gz OLFZXSYDMGSPKU-UXHICEINSA-N 2 2 345.531 3.114 10 0 EGAELP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1C)[NH+](CC)CC ZINC001323302481 1387328549 /nfs/dbraw/zinc/32/85/49/1387328549.db2.gz OLFZXSYDMGSPKU-UXHICEINSA-N 2 2 345.531 3.114 10 0 EGAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001324002792 1387506507 /nfs/dbraw/zinc/50/65/07/1387506507.db2.gz AUNMTUIIEHUDGS-AQWUKCDYSA-N 2 2 343.515 3.178 10 0 EGAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001324002792 1387506509 /nfs/dbraw/zinc/50/65/09/1387506509.db2.gz AUNMTUIIEHUDGS-AQWUKCDYSA-N 2 2 343.515 3.178 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324103636 1387543075 /nfs/dbraw/zinc/54/30/75/1387543075.db2.gz PTKMIUZZUVMHCO-FUHWJXTLSA-N 2 2 346.519 3.069 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001482311473 1394883412 /nfs/dbraw/zinc/88/34/12/1394883412.db2.gz ALNYWDITJIJOJC-GFCCVEGCSA-N 2 2 331.382 3.009 10 0 EGAELP CN(CCC[N@H+](C)Cc1ccco1)c1nc2ccccc2n2c[nH+]cc12 ZINC001186381936 1387931706 /nfs/dbraw/zinc/93/17/06/1387931706.db2.gz YVRRTRIIOXORCV-UHFFFAOYSA-N 2 2 349.438 3.434 10 0 EGAELP CN(CCC[N@@H+](C)Cc1ccco1)c1nc2ccccc2n2c[nH+]cc12 ZINC001186381936 1387931710 /nfs/dbraw/zinc/93/17/10/1387931710.db2.gz YVRRTRIIOXORCV-UHFFFAOYSA-N 2 2 349.438 3.434 10 0 EGAELP c1cn(C[C@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)c2ccccc2)c[nH+]1 ZINC001197274783 1368777120 /nfs/dbraw/zinc/77/71/20/1368777120.db2.gz PEKAUAYGLYJRLM-OALUTQOASA-N 2 2 341.455 3.290 10 0 EGAELP c1cn(-c2csc(C[NH2+]CCCn3cnc4ccccc43)c2)c[nH+]1 ZINC001199022023 1369171824 /nfs/dbraw/zinc/17/18/24/1369171824.db2.gz SZIZGVFRMCVWIC-UHFFFAOYSA-N 2 2 337.452 3.463 10 0 EGAELP CCc1cc(N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)nc(C)[nH+]1 ZINC001187533389 1388122141 /nfs/dbraw/zinc/12/21/41/1388122141.db2.gz HIBOFWXAELSNIB-NQIIRXRSSA-N 2 2 336.483 3.306 10 0 EGAELP CCc1cc(N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)nc(C)[nH+]1 ZINC001187533389 1388122143 /nfs/dbraw/zinc/12/21/43/1388122143.db2.gz HIBOFWXAELSNIB-NQIIRXRSSA-N 2 2 336.483 3.306 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)CC1 ZINC001119632067 1371379307 /nfs/dbraw/zinc/37/93/07/1371379307.db2.gz LEYUUZOIFUTDBP-JENIJYKNSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H](CC(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001326380258 1388171156 /nfs/dbraw/zinc/17/11/56/1388171156.db2.gz JHOXRMMPHGNMCY-IEBWSBKVSA-N 2 2 344.503 3.163 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1ccccc1C ZINC001266102698 1377187372 /nfs/dbraw/zinc/18/73/72/1377187372.db2.gz GXNBHUWCTOULHV-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1ccccc1C ZINC001266102698 1377187375 /nfs/dbraw/zinc/18/73/75/1377187375.db2.gz GXNBHUWCTOULHV-QGZVFWFLSA-N 2 2 342.487 3.158 10 0 EGAELP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327491516 1388534505 /nfs/dbraw/zinc/53/45/05/1388534505.db2.gz CUGHIIHTOAWBGR-UHFFFAOYSA-N 2 2 344.503 3.122 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285862 1378215939 /nfs/dbraw/zinc/21/59/39/1378215939.db2.gz RGDWVKJQZSOIQF-PKOBYXMFSA-N 2 2 346.519 3.091 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001277285862 1378215946 /nfs/dbraw/zinc/21/59/46/1378215946.db2.gz RGDWVKJQZSOIQF-PKOBYXMFSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691766 1379120876 /nfs/dbraw/zinc/12/08/76/1379120876.db2.gz NADWSGAPLKRYLC-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001283691766 1379120878 /nfs/dbraw/zinc/12/08/78/1379120878.db2.gz NADWSGAPLKRYLC-HOTGVXAUSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@H](CC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)n1cc[nH+]c1 ZINC001284066143 1379422491 /nfs/dbraw/zinc/42/24/91/1379422491.db2.gz FEYKMKSTXBHYPP-POAQFYNOSA-N 2 2 344.503 3.138 10 0 EGAELP C[C@H](CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)n1cc[nH+]c1 ZINC001284066143 1379422496 /nfs/dbraw/zinc/42/24/96/1379422496.db2.gz FEYKMKSTXBHYPP-POAQFYNOSA-N 2 2 344.503 3.138 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001327881319 1388613976 /nfs/dbraw/zinc/61/39/76/1388613976.db2.gz NSJVLUXDGVSCQE-WBVHZDCISA-N 2 2 348.535 3.189 10 0 EGAELP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001327882243 1388614061 /nfs/dbraw/zinc/61/40/61/1388614061.db2.gz PWFNAYVTACISKN-LBLGZAAXSA-N 2 2 340.471 3.359 10 0 EGAELP CCCCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284610297 1380010227 /nfs/dbraw/zinc/01/02/27/1380010227.db2.gz PKIRJCHAVZDGBN-MRXNPFEDSA-N 2 2 330.476 3.259 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284699406 1380114694 /nfs/dbraw/zinc/11/46/94/1380114694.db2.gz HNSZKJMGYXHFNC-FDICQLOXSA-N 2 2 346.519 3.407 10 0 EGAELP CCCCC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001284781425 1380204570 /nfs/dbraw/zinc/20/45/70/1380204570.db2.gz SCWUERDLHRQIQV-UHFFFAOYSA-N 2 2 340.471 3.255 10 0 EGAELP 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341.455 3.300 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792530 1385486121 /nfs/dbraw/zinc/48/61/21/1385486121.db2.gz MFJYITCKUDZCQD-MRXNPFEDSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792530 1385486122 /nfs/dbraw/zinc/48/61/22/1385486122.db2.gz MFJYITCKUDZCQD-MRXNPFEDSA-N 2 2 342.487 3.212 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485299 1385717589 /nfs/dbraw/zinc/71/75/89/1385717589.db2.gz QGTCUOZNNJYHSQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485299 1385717594 /nfs/dbraw/zinc/71/75/94/1385717594.db2.gz QGTCUOZNNJYHSQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485299 1385717602 /nfs/dbraw/zinc/71/76/02/1385717602.db2.gz QGTCUOZNNJYHSQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485299 1385717606 /nfs/dbraw/zinc/71/76/06/1385717606.db2.gz QGTCUOZNNJYHSQ-WMZOPIPTSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320573496 1386655175 /nfs/dbraw/zinc/65/51/75/1386655175.db2.gz PCDXVMNGPYOKME-JKSUJKDBSA-N 2 2 348.535 3.289 10 0 EGAELP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320573496 1386655180 /nfs/dbraw/zinc/65/51/80/1386655180.db2.gz PCDXVMNGPYOKME-JKSUJKDBSA-N 2 2 348.535 3.289 10 0 EGAELP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001322345071 1387165322 /nfs/dbraw/zinc/16/53/22/1387165322.db2.gz JWCBPBOEOBCVJV-PKOBYXMFSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001322567978 1387206930 /nfs/dbraw/zinc/20/69/30/1387206930.db2.gz BGVCZFOBYMFAMC-OAHLLOKOSA-N 2 2 336.439 3.376 10 0 EGAELP 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ZINC001332201775 1390037696 /nfs/dbraw/zinc/03/76/96/1390037696.db2.gz XFKZAPYOBUGJKM-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332271547 1390072399 /nfs/dbraw/zinc/07/23/99/1390072399.db2.gz KLWBUVIRDNPJEM-QZTJIDSGSA-N 2 2 344.503 3.107 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332271547 1390072404 /nfs/dbraw/zinc/07/24/04/1390072404.db2.gz KLWBUVIRDNPJEM-QZTJIDSGSA-N 2 2 344.503 3.107 10 0 EGAELP C[C@@H](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)n1cc[nH+]c1 ZINC001332861424 1390203966 /nfs/dbraw/zinc/20/39/66/1390203966.db2.gz RWCNWZNLMJXICM-HOTGVXAUSA-N 2 2 336.524 3.391 10 0 EGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H]2CC[C@@H](C(F)(F)F)O2)[nH+]1 ZINC001333138122 1390254538 /nfs/dbraw/zinc/25/45/38/1390254538.db2.gz LDRIGRKIVGPZCN-ZNMIVQPWSA-N 2 2 343.393 3.376 10 0 EGAELP CC(C)=CC[N@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001333354000 1390288201 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348.535 3.441 10 0 EGAELP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480078882 1392568711 /nfs/dbraw/zinc/56/87/11/1392568711.db2.gz OAELTBAMLREVJZ-RTBURBONSA-N 2 2 348.535 3.441 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480290252 1392661846 /nfs/dbraw/zinc/66/18/46/1392661846.db2.gz NIBRJLTZBOXIIH-RDTXWAMCSA-N 2 2 331.504 3.495 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001480307658 1392669794 /nfs/dbraw/zinc/66/97/94/1392669794.db2.gz VDNJMXDOAMHAGV-SFHVURJKSA-N 2 2 348.535 3.318 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)CC(C)C)ccn12 ZINC001698867153 1406582244 /nfs/dbraw/zinc/58/22/44/1406582244.db2.gz KASZGZMKBHPCKI-WMLDXEAASA-N 2 2 348.466 3.125 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)c(C)[nH+]1 ZINC001480825473 1392963916 /nfs/dbraw/zinc/96/39/16/1392963916.db2.gz AOIHNVSJXPHTCI-QGZVFWFLSA-N 2 2 335.467 3.341 10 0 EGAELP 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ZINC001482024650 1394683215 /nfs/dbraw/zinc/68/32/15/1394683215.db2.gz ZJWSXHHOXTYJJP-ULQDDVLXSA-N 2 2 348.535 3.432 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001482024650 1394683220 /nfs/dbraw/zinc/68/32/20/1394683220.db2.gz ZJWSXHHOXTYJJP-ULQDDVLXSA-N 2 2 348.535 3.432 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001482298868 1394875426 /nfs/dbraw/zinc/87/54/26/1394875426.db2.gz JWJHPYJOAHMTFK-KRWDZBQOSA-N 2 2 346.519 3.254 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484132448 1395271757 /nfs/dbraw/zinc/27/17/57/1395271757.db2.gz RVGMWAUKTABJKY-DKFQHHCZSA-N 2 2 335.536 3.045 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484132448 1395271761 /nfs/dbraw/zinc/27/17/61/1395271761.db2.gz RVGMWAUKTABJKY-DKFQHHCZSA-N 2 2 335.536 3.045 10 0 EGAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001485221490 1395716456 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RGFJPJWCMDOWQU-YMQRJHMESA-N 2 2 329.488 3.413 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001493241041 1396338646 /nfs/dbraw/zinc/33/86/46/1396338646.db2.gz QMJSDKVWIUATHO-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001493241041 1396338647 /nfs/dbraw/zinc/33/86/47/1396338647.db2.gz QMJSDKVWIUATHO-HKUYNNGSSA-N 2 2 346.519 3.243 10 0 EGAELP CC1CC(C[N@H+](CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001689994977 1404245202 /nfs/dbraw/zinc/24/52/02/1404245202.db2.gz PZCQLWMEIURGEF-UHFFFAOYSA-N 2 2 340.471 3.193 10 0 EGAELP CC1CC(C[N@@H+](CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001689994977 1404245205 /nfs/dbraw/zinc/24/52/05/1404245205.db2.gz PZCQLWMEIURGEF-UHFFFAOYSA-N 2 2 340.471 3.193 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690023413 1404262555 /nfs/dbraw/zinc/26/25/55/1404262555.db2.gz QOKDMJXQFUZRCX-AATRIKPKSA-N 2 2 332.492 3.012 10 0 EGAELP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690023413 1404262556 /nfs/dbraw/zinc/26/25/56/1404262556.db2.gz QOKDMJXQFUZRCX-AATRIKPKSA-N 2 2 332.492 3.012 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094539 1404295891 /nfs/dbraw/zinc/29/58/91/1404295891.db2.gz JCGORWBFSGYPJS-QZTJIDSGSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094539 1404295893 /nfs/dbraw/zinc/29/58/93/1404295893.db2.gz JCGORWBFSGYPJS-QZTJIDSGSA-N 2 2 346.519 3.097 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690215615 1404424365 /nfs/dbraw/zinc/42/43/65/1404424365.db2.gz WQQSFBVBSBQVMB-BORUEMGLSA-N 2 2 344.503 3.109 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690215615 1404424370 /nfs/dbraw/zinc/42/43/70/1404424370.db2.gz WQQSFBVBSBQVMB-BORUEMGLSA-N 2 2 344.503 3.109 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001725493809 1426171187 /nfs/dbraw/zinc/17/11/87/1426171187.db2.gz FVOPHGAJPRTZJG-MJGOQNOKSA-N 2 2 348.535 3.487 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001691637206 1405373111 /nfs/dbraw/zinc/37/31/11/1405373111.db2.gz VOZACFNDJKOGLT-RTLBZRNLSA-N 2 2 346.519 3.380 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)n1cc[nH+]c1 ZINC001691743079 1405464732 /nfs/dbraw/zinc/46/47/32/1405464732.db2.gz VBZKYPXIPKPRIT-MYZTUTKLSA-N 2 2 346.519 3.145 10 0 EGAELP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691827863 1405543143 /nfs/dbraw/zinc/54/31/43/1405543143.db2.gz RHUPKKNUSFPCFB-SJORKVTESA-N 2 2 342.487 3.355 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001691921677 1405651944 /nfs/dbraw/zinc/65/19/44/1405651944.db2.gz MGQGGZRONZEKGQ-ZWKOTPCHSA-N 2 2 346.519 3.187 10 0 EGAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001692275783 1405908914 /nfs/dbraw/zinc/90/89/14/1405908914.db2.gz OBYDEVNGGPDCJU-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001692275783 1405908915 /nfs/dbraw/zinc/90/89/15/1405908915.db2.gz OBYDEVNGGPDCJU-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001731998152 1428207464 /nfs/dbraw/zinc/20/74/64/1428207464.db2.gz AHGRPNNGFFRLSJ-MSOLQXFVSA-N 2 2 348.535 3.487 10 0 EGAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCCC(C)C ZINC001698596858 1406221768 /nfs/dbraw/zinc/22/17/68/1406221768.db2.gz NTPRYMCATCYLBI-QGZVFWFLSA-N 2 2 330.476 3.177 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732050745 1428290221 /nfs/dbraw/zinc/29/02/21/1428290221.db2.gz JKIWYEGEFSOQIY-MRXNPFEDSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732050745 1428290224 /nfs/dbraw/zinc/29/02/24/1428290224.db2.gz JKIWYEGEFSOQIY-MRXNPFEDSA-N 2 2 342.487 3.441 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732171490 1428415228 /nfs/dbraw/zinc/41/52/28/1428415228.db2.gz GWDORLWZISPQCD-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732171490 1428415229 /nfs/dbraw/zinc/41/52/29/1428415229.db2.gz GWDORLWZISPQCD-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732171490 1428415232 /nfs/dbraw/zinc/41/52/32/1428415232.db2.gz GWDORLWZISPQCD-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732171490 1428415233 /nfs/dbraw/zinc/41/52/33/1428415233.db2.gz GWDORLWZISPQCD-VQIMIIECSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732171488 1428415410 /nfs/dbraw/zinc/41/54/10/1428415410.db2.gz GWDORLWZISPQCD-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732171488 1428415412 /nfs/dbraw/zinc/41/54/12/1428415412.db2.gz GWDORLWZISPQCD-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732171488 1428415415 /nfs/dbraw/zinc/41/54/15/1428415415.db2.gz GWDORLWZISPQCD-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732171488 1428415417 /nfs/dbraw/zinc/41/54/17/1428415417.db2.gz GWDORLWZISPQCD-LPHOPBHVSA-N 2 2 346.519 3.091 10 0 EGAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC(C)(C)C ZINC001732204744 1428454301 /nfs/dbraw/zinc/45/43/01/1428454301.db2.gz FVADPFZNMOOXQK-HNNXBMFYSA-N 2 2 330.476 3.487 10 0 EGAELP CC1(C)CC(C[NH2+]CC2(NC(=O)CCCn3cc[nH+]c3)CCCC2)C1 ZINC001732236887 1428482816 /nfs/dbraw/zinc/48/28/16/1428482816.db2.gz GPKOVAYQDSYBKE-UHFFFAOYSA-N 2 2 346.519 3.118 10 0 EGAELP CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732287938 1428515232 /nfs/dbraw/zinc/51/52/32/1428515232.db2.gz YOYNIHVXWQIMSE-KRWDZBQOSA-N 2 2 348.535 3.342 10 0 EGAELP CC/C=C\CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001732323905 1428532866 /nfs/dbraw/zinc/53/28/66/1428532866.db2.gz YQZKSZHMTUYJRE-GRFNRIFCSA-N 2 2 344.503 3.088 10 0 EGAELP CC/C=C\CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001732323905 1428532868 /nfs/dbraw/zinc/53/28/68/1428532868.db2.gz YQZKSZHMTUYJRE-GRFNRIFCSA-N 2 2 344.503 3.088 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001699119234 1412519508 /nfs/dbraw/zinc/51/95/08/1412519508.db2.gz LMXGASKRPCZPCP-MAUKXSAKSA-N 2 2 347.503 3.064 10 0 EGAELP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440658 1412768572 /nfs/dbraw/zinc/76/85/72/1412768572.db2.gz GMTFYIPYBVHVQI-MRXNPFEDSA-N 2 2 348.535 3.025 10 0 EGAELP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440658 1412768574 /nfs/dbraw/zinc/76/85/74/1412768574.db2.gz GMTFYIPYBVHVQI-MRXNPFEDSA-N 2 2 348.535 3.025 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)C1C[NH+](CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001699715240 1413127972 /nfs/dbraw/zinc/12/79/72/1413127972.db2.gz YZNDBRXLQNLSGV-LJQANCHMSA-N 2 2 346.519 3.193 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001699771329 1413178655 /nfs/dbraw/zinc/17/86/55/1413178655.db2.gz WQFXGBCNIDJJSE-GVDBMIGSSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001699771329 1413178661 /nfs/dbraw/zinc/17/86/61/1413178661.db2.gz WQFXGBCNIDJJSE-GVDBMIGSSA-N 2 2 346.519 3.166 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001700071701 1413485852 /nfs/dbraw/zinc/48/58/52/1413485852.db2.gz JVAWCAZINXRQOJ-GOSISDBHSA-N 2 2 331.504 3.495 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001700104804 1413523506 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3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CC(C)(C)C1 ZINC001700531276 1414198504 /nfs/dbraw/zinc/19/85/04/1414198504.db2.gz KYLUIQQDLNCRCH-QGZVFWFLSA-N 2 2 346.519 3.058 10 0 EGAELP CCCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001700892939 1414551609 /nfs/dbraw/zinc/55/16/09/1414551609.db2.gz WTOBGPDUNUKPTG-FUHWJXTLSA-N 2 2 342.487 3.321 10 0 EGAELP Cc1ccc(C)c(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001732869951 1429019679 /nfs/dbraw/zinc/01/96/79/1429019679.db2.gz VDAAEUWOWDUNIL-ARJAWSKDSA-N 2 2 348.450 3.256 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707049393 1417160983 /nfs/dbraw/zinc/16/09/83/1417160983.db2.gz XNFRVKARBSBWNO-LJQANCHMSA-N 2 2 340.471 3.209 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707049393 1417160986 /nfs/dbraw/zinc/16/09/86/1417160986.db2.gz XNFRVKARBSBWNO-LJQANCHMSA-N 2 2 340.471 3.209 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001707115788 1417207303 /nfs/dbraw/zinc/20/73/03/1417207303.db2.gz JFRLKMAZFFRYTL-NZSAHSFTSA-N 2 2 346.519 3.289 10 0 EGAELP C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CC[NH2+]CC1CC1 ZINC001707140813 1417219566 /nfs/dbraw/zinc/21/95/66/1417219566.db2.gz ZBVOTKRZRYVJSP-IFXJQAMLSA-N 2 2 340.471 3.193 10 0 EGAELP CCC(CC)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001707144825 1417221487 /nfs/dbraw/zinc/22/14/87/1417221487.db2.gz VCSKWDXKPCXWMW-BEFAXECRSA-N 2 2 348.535 3.304 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCCC(C)C)[C@@H]3C)ccn12 ZINC001707249744 1417266410 /nfs/dbraw/zinc/26/64/10/1417266410.db2.gz OIBDOMHUVUWKTQ-AEFFLSMTSA-N 2 2 342.487 3.272 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCCC(C)C)[C@@H]3C)ccn12 ZINC001707249744 1417266411 /nfs/dbraw/zinc/26/64/11/1417266411.db2.gz OIBDOMHUVUWKTQ-AEFFLSMTSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001707432539 1417336704 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ZINC001713751846 1418554055 /nfs/dbraw/zinc/55/40/55/1418554055.db2.gz DVHZVLDHNBDFRC-GOSISDBHSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713751846 1418554061 /nfs/dbraw/zinc/55/40/61/1418554061.db2.gz DVHZVLDHNBDFRC-GOSISDBHSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713751846 1418554065 /nfs/dbraw/zinc/55/40/65/1418554065.db2.gz DVHZVLDHNBDFRC-GOSISDBHSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713751846 1418554070 /nfs/dbraw/zinc/55/40/70/1418554070.db2.gz DVHZVLDHNBDFRC-GOSISDBHSA-N 2 2 344.503 3.013 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001713775001 1418591190 /nfs/dbraw/zinc/59/11/90/1418591190.db2.gz ANCPBFXQCJAAOH-UHFFFAOYSA-N 2 2 346.519 3.202 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001713775001 1418591193 /nfs/dbraw/zinc/59/11/93/1418591193.db2.gz ANCPBFXQCJAAOH-UHFFFAOYSA-N 2 2 346.519 3.202 10 0 EGAELP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714271380 1419052423 /nfs/dbraw/zinc/05/24/23/1419052423.db2.gz NBKQXYHLDOVDOJ-MRXNPFEDSA-N 2 2 346.450 3.143 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001714621995 1419389389 /nfs/dbraw/zinc/38/93/89/1419389389.db2.gz PKUFHTCAMFYNLL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C)n1cc[nH+]c1 ZINC001714621995 1419389391 /nfs/dbraw/zinc/38/93/91/1419389391.db2.gz PKUFHTCAMFYNLL-SJORKVTESA-N 2 2 334.508 3.241 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CCCF)c2ccccc2)c(C)[nH+]1 ZINC001714838577 1419551211 /nfs/dbraw/zinc/55/12/11/1419551211.db2.gz OXHAXSADRHKADF-SFHVURJKSA-N 2 2 343.446 3.427 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001714910815 1419657184 /nfs/dbraw/zinc/65/71/84/1419657184.db2.gz PHBYRDOHKVKRFA-QZTJIDSGSA-N 2 2 348.535 3.441 10 0 EGAELP 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ZINC001715497997 1420179699 /nfs/dbraw/zinc/17/96/99/1420179699.db2.gz KASDRTPBLSPVHH-KRWDZBQOSA-N 2 2 348.535 3.195 10 0 EGAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)s1 ZINC001715666658 1420286315 /nfs/dbraw/zinc/28/63/15/1420286315.db2.gz PUIFDGIOKXNNFP-LBPRGKRZSA-N 2 2 346.500 3.070 10 0 EGAELP C[C@H](CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001715879971 1420380644 /nfs/dbraw/zinc/38/06/44/1420380644.db2.gz VUJGIQZCBOJHAK-RCAFFNEUSA-N 2 2 344.503 3.067 10 0 EGAELP C[C@H](CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001715879969 1420380752 /nfs/dbraw/zinc/38/07/52/1420380752.db2.gz VUJGIQZCBOJHAK-BAHPRDJBSA-N 2 2 344.503 3.067 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001716402197 1420635564 /nfs/dbraw/zinc/63/55/64/1420635564.db2.gz SCVIBTDZVYSHGX-CRAIPNDOSA-N 2 2 342.487 3.172 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716711746 1420864708 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LSUUPMASADKQGW-XFXZXTDPSA-N 2 2 349.563 3.339 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039177 1421093853 /nfs/dbraw/zinc/09/38/53/1421093853.db2.gz VYQCWNAISYICNB-ZWKOTPCHSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001717039177 1421093856 /nfs/dbraw/zinc/09/38/56/1421093856.db2.gz VYQCWNAISYICNB-ZWKOTPCHSA-N 2 2 346.519 3.165 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCC1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717415236 1421346555 /nfs/dbraw/zinc/34/65/55/1421346555.db2.gz JBNAGOONLASAGF-KGLIPLIRSA-N 2 2 328.460 3.240 10 0 EGAELP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001717640958 1421546282 /nfs/dbraw/zinc/54/62/82/1421546282.db2.gz QAJDMOBFLQNVLB-PUVHCXQDSA-N 2 2 340.471 3.097 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CC(C)C)C(C)C)ccn12 ZINC001717719917 1421588205 /nfs/dbraw/zinc/58/82/05/1421588205.db2.gz SGNIDCOKAVVVQD-QGZVFWFLSA-N 2 2 330.476 3.033 10 0 EGAELP COCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001733343910 1429526415 /nfs/dbraw/zinc/52/64/15/1429526415.db2.gz BIHBZSUZVIGXNU-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC/C=C/CC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733359456 1429542170 /nfs/dbraw/zinc/54/21/70/1429542170.db2.gz GCROPDCUFXFXMP-SNAWJCMRSA-N 2 2 340.471 3.275 10 0 EGAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733432540 1429639647 /nfs/dbraw/zinc/63/96/47/1429639647.db2.gz QJMMLBPEYKZVKW-IBGZPJMESA-N 2 2 328.460 3.051 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001723918500 1424603808 /nfs/dbraw/zinc/60/38/08/1424603808.db2.gz BVWNEJUVDMVONZ-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001723918500 1424603812 /nfs/dbraw/zinc/60/38/12/1424603812.db2.gz BVWNEJUVDMVONZ-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP CC(C)=CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001724301486 1424784741 /nfs/dbraw/zinc/78/47/41/1424784741.db2.gz RIVQPHGAAHQIHM-KRWDZBQOSA-N 2 2 332.492 3.019 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724332163 1424827164 /nfs/dbraw/zinc/82/71/64/1424827164.db2.gz HIEICTJAFUULGV-XLIONFOSSA-N 2 2 348.535 3.489 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724332163 1424827166 /nfs/dbraw/zinc/82/71/66/1424827166.db2.gz HIEICTJAFUULGV-XLIONFOSSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001724541516 1424902282 /nfs/dbraw/zinc/90/22/82/1424902282.db2.gz XNNGSPCRMQMOFF-FUHWJXTLSA-N 2 2 329.488 3.413 10 0 EGAELP C[C@@H](CC(=O)NCC1([NH2+]CCC2CCCCC2)CCC1)n1cc[nH+]c1 ZINC001724795970 1425163509 /nfs/dbraw/zinc/16/35/09/1425163509.db2.gz JMZSRQDXNLDOMY-KRWDZBQOSA-N 2 2 346.519 3.433 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001724845498 1425195829 /nfs/dbraw/zinc/19/58/29/1425195829.db2.gz DBZSZWWUMQDXCB-HKUYNNGSSA-N 2 2 340.471 3.005 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001724845498 1425195830 /nfs/dbraw/zinc/19/58/30/1425195830.db2.gz DBZSZWWUMQDXCB-HKUYNNGSSA-N 2 2 340.471 3.005 10 0 EGAELP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001724884344 1425266465 /nfs/dbraw/zinc/26/64/65/1425266465.db2.gz MNMJSZDPIFKWRF-CLTKARDFSA-N 2 2 346.862 3.290 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724901951 1425297613 /nfs/dbraw/zinc/29/76/13/1425297613.db2.gz ZRBDOJCCSHVPJI-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724901951 1425297616 /nfs/dbraw/zinc/29/76/16/1425297616.db2.gz ZRBDOJCCSHVPJI-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001724970648 1425369600 /nfs/dbraw/zinc/36/96/00/1425369600.db2.gz MYQSHAUSDFFGGY-KINGKOSLSA-N 2 2 346.519 3.161 10 0 EGAELP 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C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC(C)(C)C ZINC001725003176 1425414737 /nfs/dbraw/zinc/41/47/37/1425414737.db2.gz NXBYSUCPTKYSNH-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC(C)(C)C ZINC001725003176 1425414742 /nfs/dbraw/zinc/41/47/42/1425414742.db2.gz NXBYSUCPTKYSNH-IAGOWNOFSA-N 2 2 334.508 3.069 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001725173626 1425686140 /nfs/dbraw/zinc/68/61/40/1425686140.db2.gz IOAULPQIIGVWDR-NXYGQSRBSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC2CCC(C)CC2)c[nH+]1 ZINC001725173626 1425686143 /nfs/dbraw/zinc/68/61/43/1425686143.db2.gz IOAULPQIIGVWDR-NXYGQSRBSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175467 1425691284 /nfs/dbraw/zinc/69/12/84/1425691284.db2.gz ZYPAFDBWCIZKFC-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCn2cc[nH+]c2)c1 ZINC001725175467 1425691287 /nfs/dbraw/zinc/69/12/87/1425691287.db2.gz ZYPAFDBWCIZKFC-ZWKOTPCHSA-N 2 2 342.487 3.088 10 0 EGAELP CC1(C)C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001725293575 1425941098 /nfs/dbraw/zinc/94/10/98/1425941098.db2.gz KNJRAISSFOPFHX-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001725293575 1425941100 /nfs/dbraw/zinc/94/11/00/1425941100.db2.gz KNJRAISSFOPFHX-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001725681591 1426369672 /nfs/dbraw/zinc/36/96/72/1426369672.db2.gz LASYXYWVKFJOKA-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CCCC[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818151 1426494202 /nfs/dbraw/zinc/49/42/02/1426494202.db2.gz UHZBVYBBQIAQPP-GOSISDBHSA-N 2 2 332.492 3.019 10 0 EGAELP CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725818151 1426494203 /nfs/dbraw/zinc/49/42/03/1426494203.db2.gz UHZBVYBBQIAQPP-GOSISDBHSA-N 2 2 332.492 3.019 10 0 EGAELP CC1(C)CC(C[NH2+][C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001731396164 1427351722 /nfs/dbraw/zinc/35/17/22/1427351722.db2.gz MIYFAZPBXCOREL-SFHVURJKSA-N 2 2 340.471 3.097 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731499993 1427479270 /nfs/dbraw/zinc/47/92/70/1427479270.db2.gz HUHOGLDSAHNFCE-QGZVFWFLSA-N 2 2 342.487 3.356 10 0 EGAELP CCCCCC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731499993 1427479272 /nfs/dbraw/zinc/47/92/72/1427479272.db2.gz HUHOGLDSAHNFCE-QGZVFWFLSA-N 2 2 342.487 3.356 10 0 EGAELP C[C@H](CC(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001731624053 1427674129 /nfs/dbraw/zinc/67/41/29/1427674129.db2.gz RNLANEUHVOOVEU-JKSUJKDBSA-N 2 2 334.508 3.145 10 0 EGAELP Cc1cccn2cc(CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001733991600 1437786467 /nfs/dbraw/zinc/78/64/67/1437786467.db2.gz FMSQCYRFSDADRN-HOTGVXAUSA-N 2 2 344.503 3.104 10 0 EGAELP 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ZINC001750945887 1440118334 /nfs/dbraw/zinc/11/83/34/1440118334.db2.gz WXECCGHKFTWOKZ-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750945887 1440118335 /nfs/dbraw/zinc/11/83/35/1440118335.db2.gz WXECCGHKFTWOKZ-SFHVURJKSA-N 2 2 348.535 3.460 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442137 168356365 /nfs/dbraw/zinc/35/63/65/168356365.db2.gz KVCISLWJMIRBLV-OXQOHEQNSA-N 2 2 336.483 3.007 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442137 168356367 /nfs/dbraw/zinc/35/63/67/168356367.db2.gz KVCISLWJMIRBLV-OXQOHEQNSA-N 2 2 336.483 3.007 10 0 EGAELP COc1ccc(Br)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746489 213381274 /nfs/dbraw/zinc/38/12/74/213381274.db2.gz IUOSVFSYZMWZDW-YIONKMFJSA-N 2 2 339.277 3.173 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746489 213381278 /nfs/dbraw/zinc/38/12/78/213381278.db2.gz IUOSVFSYZMWZDW-YIONKMFJSA-N 2 2 339.277 3.173 10 0 EGAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2C[C@@H]2C)cc1Br ZINC000104423588 219386071 /nfs/dbraw/zinc/38/60/71/219386071.db2.gz HLGZBZNYSHGULD-JKOKRWQUSA-N 2 2 327.266 3.045 10 0 EGAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2C[C@@H]2C)cc1Br ZINC000104423588 219386073 /nfs/dbraw/zinc/38/60/73/219386073.db2.gz HLGZBZNYSHGULD-JKOKRWQUSA-N 2 2 327.266 3.045 10 0 EGAELP Cc1cccc(CCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000181097274 234085835 /nfs/dbraw/zinc/08/58/35/234085835.db2.gz VMWMIRPVVNPWMD-UHFFFAOYSA-N 2 2 340.515 3.221 10 0 EGAELP Cc1cccc(CCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000181097274 234085839 /nfs/dbraw/zinc/08/58/39/234085839.db2.gz VMWMIRPVVNPWMD-UHFFFAOYSA-N 2 2 340.515 3.221 10 0 EGAELP Clc1ccc(-c2nc3c([nH]2)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000216495216 241197684 /nfs/dbraw/zinc/19/76/84/241197684.db2.gz NMTAXCOGUSNQEP-CYBMUJFWSA-N 2 2 330.863 3.088 10 0 EGAELP Clc1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000216495216 241197687 /nfs/dbraw/zinc/19/76/87/241197687.db2.gz NMTAXCOGUSNQEP-CYBMUJFWSA-N 2 2 330.863 3.088 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000230126372 242235899 /nfs/dbraw/zinc/23/58/99/242235899.db2.gz XUQQMILYKITQNI-UZLBHIALSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000230126372 242235903 /nfs/dbraw/zinc/23/59/03/242235903.db2.gz XUQQMILYKITQNI-UZLBHIALSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000230126372 242235906 /nfs/dbraw/zinc/23/59/06/242235906.db2.gz XUQQMILYKITQNI-UZLBHIALSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000230126372 242235909 /nfs/dbraw/zinc/23/59/09/242235909.db2.gz XUQQMILYKITQNI-UZLBHIALSA-N 2 2 326.488 3.071 10 0 EGAELP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000378408001 169116174 /nfs/dbraw/zinc/11/61/74/169116174.db2.gz ZDAFGLVLXHRJGL-OALUTQOASA-N 2 2 331.504 3.229 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[N@@H+]1C ZINC000091675602 218045183 /nfs/dbraw/zinc/04/51/83/218045183.db2.gz HSGBTSMWCCYMDF-XYPHTWIQSA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[N@H+]1C ZINC000091675602 218045186 /nfs/dbraw/zinc/04/51/86/218045186.db2.gz HSGBTSMWCCYMDF-XYPHTWIQSA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[NH+]1C ZINC000091675602 218045189 /nfs/dbraw/zinc/04/51/89/218045189.db2.gz HSGBTSMWCCYMDF-XYPHTWIQSA-N 2 2 335.879 3.248 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[NH+]1C ZINC000091675602 218045192 /nfs/dbraw/zinc/04/51/92/218045192.db2.gz HSGBTSMWCCYMDF-XYPHTWIQSA-N 2 2 335.879 3.248 10 0 EGAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626236 258032788 /nfs/dbraw/zinc/03/27/88/258032788.db2.gz DXGNDGVSFPROKG-PBEJRMEISA-N 2 2 339.483 3.304 10 0 EGAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626236 258032790 /nfs/dbraw/zinc/03/27/90/258032790.db2.gz DXGNDGVSFPROKG-PBEJRMEISA-N 2 2 339.483 3.304 10 0 EGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000181198566 533461947 /nfs/dbraw/zinc/46/19/47/533461947.db2.gz MPWQAZCSGAXYBD-CYBMUJFWSA-N 2 2 339.468 3.453 10 0 EGAELP C[C@@H](CNc1[nH+]cccc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC000354566189 141307322 /nfs/dbraw/zinc/30/73/22/141307322.db2.gz CSNNFEJFXZSMNN-KRWDZBQOSA-N 2 2 341.455 3.041 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000354567674 141307590 /nfs/dbraw/zinc/30/75/90/141307590.db2.gz DYGSHCDPMNZADE-QGZVFWFLSA-N 2 2 334.423 3.388 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354597012 141312638 /nfs/dbraw/zinc/31/26/38/141312638.db2.gz GRUZYUYZNVWFRQ-FQEVSTJZSA-N 2 2 332.488 3.220 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354597012 141312639 /nfs/dbraw/zinc/31/26/39/141312639.db2.gz GRUZYUYZNVWFRQ-FQEVSTJZSA-N 2 2 332.488 3.220 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000344864264 144233357 /nfs/dbraw/zinc/23/33/57/144233357.db2.gz MHNCBGYKWVXPAA-FVQBIDKESA-N 2 2 330.394 3.064 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000344864264 144233358 /nfs/dbraw/zinc/23/33/58/144233358.db2.gz MHNCBGYKWVXPAA-FVQBIDKESA-N 2 2 330.394 3.064 10 0 EGAELP CCn1c2cc(F)ccc2[nH+]c1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000361640259 144341234 /nfs/dbraw/zinc/34/12/34/144341234.db2.gz OYYKAUCGFYZQAQ-UHFFFAOYSA-N 2 2 341.415 3.477 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000119922531 152238761 /nfs/dbraw/zinc/23/87/61/152238761.db2.gz BWAVUKGFLGSVGU-SCTDSRPQSA-N 2 2 332.488 3.298 10 0 EGAELP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000119922531 152238762 /nfs/dbraw/zinc/23/87/62/152238762.db2.gz BWAVUKGFLGSVGU-SCTDSRPQSA-N 2 2 332.488 3.298 10 0 EGAELP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000156940145 152689513 /nfs/dbraw/zinc/68/95/13/152689513.db2.gz DMZVWERDWNGXFL-INIZCTEOSA-N 2 2 325.456 3.405 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000188795825 153034885 /nfs/dbraw/zinc/03/48/85/153034885.db2.gz YUPDASWMJPCECQ-BXWFABGCSA-N 2 2 325.456 3.261 10 0 EGAELP COc1cnccc1[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000188795825 153034888 /nfs/dbraw/zinc/03/48/88/153034888.db2.gz YUPDASWMJPCECQ-BXWFABGCSA-N 2 2 325.456 3.261 10 0 EGAELP Fc1ccccc1-c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000188965167 153043399 /nfs/dbraw/zinc/04/33/99/153043399.db2.gz CGSGSIYFDZGYQS-UHFFFAOYSA-N 2 2 344.434 3.184 10 0 EGAELP CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191981923 153234557 /nfs/dbraw/zinc/23/45/57/153234557.db2.gz PPNZVWVQFYNBGW-SFHVURJKSA-N 2 2 340.471 3.061 10 0 EGAELP CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191981923 153234564 /nfs/dbraw/zinc/23/45/64/153234564.db2.gz PPNZVWVQFYNBGW-SFHVURJKSA-N 2 2 340.471 3.061 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192872750 153264399 /nfs/dbraw/zinc/26/43/99/153264399.db2.gz CTZOEIVTEDXJRQ-BRIRTLKKSA-N 3 2 327.516 3.427 10 0 EGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192872750 153264401 /nfs/dbraw/zinc/26/44/01/153264401.db2.gz CTZOEIVTEDXJRQ-BRIRTLKKSA-N 3 2 327.516 3.427 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658216 153299315 /nfs/dbraw/zinc/29/93/15/153299315.db2.gz DKHJXHMSPLUWSA-VQHPVUNQSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658216 153299317 /nfs/dbraw/zinc/29/93/17/153299317.db2.gz DKHJXHMSPLUWSA-VQHPVUNQSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658216 153299321 /nfs/dbraw/zinc/29/93/21/153299321.db2.gz DKHJXHMSPLUWSA-VQHPVUNQSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658216 153299325 /nfs/dbraw/zinc/29/93/25/153299325.db2.gz DKHJXHMSPLUWSA-VQHPVUNQSA-N 2 2 329.488 3.021 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)c[nH+]1 ZINC000337408314 154338880 /nfs/dbraw/zinc/33/88/80/154338880.db2.gz VGJJAAHWEUMMSF-IBGZPJMESA-N 2 2 325.456 3.370 10 0 EGAELP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000132152725 162423375 /nfs/dbraw/zinc/42/33/75/162423375.db2.gz JRMQAWDEBNCWMD-CYBMUJFWSA-N 2 2 335.883 3.159 10 0 EGAELP COC(=O)CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCCC1 ZINC000338335157 163214346 /nfs/dbraw/zinc/21/43/46/163214346.db2.gz VLBFKIKODWAJKW-UHFFFAOYSA-N 2 2 327.428 3.146 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355895818 166340566 /nfs/dbraw/zinc/34/05/66/166340566.db2.gz LDNZIJOSISYVON-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355895818 166340571 /nfs/dbraw/zinc/34/05/71/166340571.db2.gz LDNZIJOSISYVON-LJQANCHMSA-N 2 2 346.519 3.166 10 0 EGAELP Fc1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)ccc1-n1cc[nH+]c1 ZINC000366004456 168070852 /nfs/dbraw/zinc/07/08/52/168070852.db2.gz ADQWJIVIEHSZLS-UHFFFAOYSA-N 2 2 337.358 3.284 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1NC(C)=O ZINC000366892187 168152974 /nfs/dbraw/zinc/15/29/74/168152974.db2.gz YZNIMEOCVOOFIH-NNGSBXSVSA-N 2 2 345.487 3.321 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000122878726 222176158 /nfs/dbraw/zinc/17/61/58/222176158.db2.gz DJTUGKWMVCYPCX-GOSISDBHSA-N 2 2 339.487 3.278 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000122878726 222176161 /nfs/dbraw/zinc/17/61/61/222176161.db2.gz DJTUGKWMVCYPCX-GOSISDBHSA-N 2 2 339.487 3.278 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@@H+]1C ZINC000123929349 222352902 /nfs/dbraw/zinc/35/29/02/222352902.db2.gz XRBUSNXWSUYIAL-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000123929349 222352906 /nfs/dbraw/zinc/35/29/06/222352906.db2.gz XRBUSNXWSUYIAL-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929349 222352911 /nfs/dbraw/zinc/35/29/11/222352911.db2.gz XRBUSNXWSUYIAL-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC[NH+]1C ZINC000123929349 222352914 /nfs/dbraw/zinc/35/29/14/222352914.db2.gz XRBUSNXWSUYIAL-XJKSGUPXSA-N 2 2 348.878 3.347 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970609 222359629 /nfs/dbraw/zinc/35/96/29/222359629.db2.gz BFGFWSCEYMAPSH-CABCVRRESA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970609 222359631 /nfs/dbraw/zinc/35/96/31/222359631.db2.gz BFGFWSCEYMAPSH-CABCVRRESA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970609 222359633 /nfs/dbraw/zinc/35/96/33/222359633.db2.gz BFGFWSCEYMAPSH-CABCVRRESA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123970609 222359636 /nfs/dbraw/zinc/35/96/36/222359636.db2.gz BFGFWSCEYMAPSH-CABCVRRESA-N 2 2 337.895 3.310 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000171649269 227196619 /nfs/dbraw/zinc/19/66/19/227196619.db2.gz ZBVYNYHDCJFWDW-QGZVFWFLSA-N 2 2 335.455 3.280 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000171649269 227196627 /nfs/dbraw/zinc/19/66/27/227196627.db2.gz ZBVYNYHDCJFWDW-QGZVFWFLSA-N 2 2 335.455 3.280 10 0 EGAELP c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1C1CC1 ZINC000278847225 275280457 /nfs/dbraw/zinc/28/04/57/275280457.db2.gz JWCIRFTVWBQQRW-UHFFFAOYSA-N 2 2 326.444 3.464 10 0 EGAELP Brc1ccc2[nH]c([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042463 275370100 /nfs/dbraw/zinc/37/01/00/275370100.db2.gz HFQGTGOSLBGORA-OAHLLOKOSA-N 2 2 349.276 3.214 10 0 EGAELP Brc1ccc2[nH]c([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042463 275370103 /nfs/dbraw/zinc/37/01/03/275370103.db2.gz HFQGTGOSLBGORA-OAHLLOKOSA-N 2 2 349.276 3.214 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354954122 276060825 /nfs/dbraw/zinc/06/08/25/276060825.db2.gz SIMFJIMHKTWYSG-SJLPKXTDSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354954122 276060827 /nfs/dbraw/zinc/06/08/27/276060827.db2.gz SIMFJIMHKTWYSG-SJLPKXTDSA-N 2 2 340.471 3.026 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229289 /nfs/dbraw/zinc/22/92/89/276229289.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 3 2 335.561 3.451 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229290 /nfs/dbraw/zinc/22/92/90/276229290.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229292 /nfs/dbraw/zinc/22/92/92/276229292.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229295 /nfs/dbraw/zinc/22/92/95/276229295.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 3 2 335.561 3.451 10 0 EGAELP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000289199083 276303451 /nfs/dbraw/zinc/30/34/51/276303451.db2.gz JMWZNIRQFQZQRQ-MRXNPFEDSA-N 2 2 338.386 3.192 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353463418 277173020 /nfs/dbraw/zinc/17/30/20/277173020.db2.gz RMCNZSDPOLYGHS-ANULTFPQSA-N 2 2 327.516 3.113 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353463418 277173021 /nfs/dbraw/zinc/17/30/21/277173021.db2.gz RMCNZSDPOLYGHS-ANULTFPQSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353463418 277173022 /nfs/dbraw/zinc/17/30/22/277173022.db2.gz RMCNZSDPOLYGHS-ANULTFPQSA-N 2 2 327.516 3.113 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353463418 277173023 /nfs/dbraw/zinc/17/30/23/277173023.db2.gz RMCNZSDPOLYGHS-ANULTFPQSA-N 2 2 327.516 3.113 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000346547747 278168076 /nfs/dbraw/zinc/16/80/76/278168076.db2.gz BDSOAVSEKXRDBD-OIISXLGYSA-N 2 2 344.421 3.190 10 0 EGAELP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000346547747 278168078 /nfs/dbraw/zinc/16/80/78/278168078.db2.gz BDSOAVSEKXRDBD-OIISXLGYSA-N 2 2 344.421 3.190 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000376596095 295018496 /nfs/dbraw/zinc/01/84/96/295018496.db2.gz TWKPBNIFYOBEAY-ODIFPOPNSA-N 2 2 348.487 3.380 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000128769629 307605313 /nfs/dbraw/zinc/60/53/13/307605313.db2.gz RVLUSDCGFBWRDA-UHFFFAOYSA-N 2 2 336.439 3.435 10 0 EGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000414120109 309062218 /nfs/dbraw/zinc/06/22/18/309062218.db2.gz AOZGYCNYTGGSIJ-OAHLLOKOSA-N 2 2 325.334 3.138 10 0 EGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853986 308264475 /nfs/dbraw/zinc/26/44/75/308264475.db2.gz BJZOPGWFPQEVSZ-XJKSGUPXSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000294853986 308264477 /nfs/dbraw/zinc/26/44/77/308264477.db2.gz BJZOPGWFPQEVSZ-XJKSGUPXSA-N 2 2 347.846 3.406 10 0 EGAELP C[C@H]1CC[N@H+](Cc2cnc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000294904783 308269973 /nfs/dbraw/zinc/26/99/73/308269973.db2.gz HPZZOWGLILNEHA-CMPLNLGQSA-N 2 2 341.278 3.185 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000295727303 308354333 /nfs/dbraw/zinc/35/43/33/308354333.db2.gz NWZSJQBPQFVJMY-RBUKOAKNSA-N 2 2 330.497 3.029 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000295727303 308354335 /nfs/dbraw/zinc/35/43/35/308354335.db2.gz NWZSJQBPQFVJMY-RBUKOAKNSA-N 2 2 330.497 3.029 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295854214 308367557 /nfs/dbraw/zinc/36/75/57/308367557.db2.gz BDZDQVCTWNVSOK-XUVXKRRUSA-N 2 2 338.499 3.293 10 0 EGAELP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295854214 308367558 /nfs/dbraw/zinc/36/75/58/308367558.db2.gz BDZDQVCTWNVSOK-XUVXKRRUSA-N 2 2 338.499 3.293 10 0 EGAELP Cc1cc(C)n2c(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cnc2n1 ZINC000414839095 309104733 /nfs/dbraw/zinc/10/47/33/309104733.db2.gz FSLZSGMLQZBFGA-IBGZPJMESA-N 2 2 337.471 3.259 10 0 EGAELP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)c1OC ZINC000352855075 308885970 /nfs/dbraw/zinc/88/59/70/308885970.db2.gz WKCHKBWRXWQSFU-UHFFFAOYSA-N 2 2 335.835 3.460 10 0 EGAELP CCOc1c(Cl)cccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414862696 309106094 /nfs/dbraw/zinc/10/60/94/309106094.db2.gz WFFCBXPLYVKUMZ-UHFFFAOYSA-N 2 2 333.863 3.403 10 0 EGAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000415022079 309114848 /nfs/dbraw/zinc/11/48/48/309114848.db2.gz VCPDXTHWLSITAG-CHWSQXEVSA-N 2 2 331.847 3.418 10 0 EGAELP CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000419298326 309263644 /nfs/dbraw/zinc/26/36/44/309263644.db2.gz GCTOHIYAPIDBJC-IBGZPJMESA-N 2 2 336.439 3.034 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000421351480 309319724 /nfs/dbraw/zinc/31/97/24/309319724.db2.gz ZPXWHKHAXPUWLO-WMLDXEAASA-N 2 2 346.906 3.382 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421351480 309319725 /nfs/dbraw/zinc/31/97/25/309319725.db2.gz ZPXWHKHAXPUWLO-WMLDXEAASA-N 2 2 346.906 3.382 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422734160 309365620 /nfs/dbraw/zinc/36/56/20/309365620.db2.gz SCHQVDGTGDUTMY-WOJBJXKFSA-N 2 2 328.431 3.460 10 0 EGAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422815573 309370011 /nfs/dbraw/zinc/37/00/11/309370011.db2.gz BYQHSWVJZINLRT-GUYCJALGSA-N 2 2 328.847 3.036 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2csc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819957 309370126 /nfs/dbraw/zinc/37/01/26/309370126.db2.gz ONRRIBOYZAXHDT-ZWKOTPCHSA-N 2 2 331.485 3.086 10 0 EGAELP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423096612 309385726 /nfs/dbraw/zinc/38/57/26/309385726.db2.gz PPLPBOYGELPJAH-SAGYGOJTSA-N 2 2 338.854 3.024 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423104125 309386074 /nfs/dbraw/zinc/38/60/74/309386074.db2.gz GRCMPVQGWOQAJV-LSDHHAIUSA-N 2 2 328.378 3.420 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]1 ZINC000423105789 309386169 /nfs/dbraw/zinc/38/61/69/309386169.db2.gz CKZXTPYXYAWSIT-HONMWMINSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423143424 309388159 /nfs/dbraw/zinc/38/81/59/309388159.db2.gz DAYRLGIXLMHZIQ-PMACEKPBSA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCc2ncccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423157793 309388621 /nfs/dbraw/zinc/38/86/21/309388621.db2.gz VVCXMEADSPWQFG-SFTDATJTSA-N 2 2 339.483 3.414 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCc2ccc(C)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161277 309388853 /nfs/dbraw/zinc/38/88/53/309388853.db2.gz IOXHWGNYCQZBFX-VQTJNVASSA-N 2 2 325.456 3.024 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423189605 309389687 /nfs/dbraw/zinc/38/96/87/309389687.db2.gz MXKSVRZZMBQPIL-JSGCOSHPSA-N 2 2 325.250 3.004 10 0 EGAELP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnn(C2CCCC2)c1 ZINC000423187864 309389712 /nfs/dbraw/zinc/38/97/12/309389712.db2.gz NEKBFFZLXIKILD-MRXNPFEDSA-N 2 2 327.476 3.224 10 0 EGAELP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423193143 309389843 /nfs/dbraw/zinc/38/98/43/309389843.db2.gz WQUOLVSLWAWCPC-HNNXBMFYSA-N 2 2 335.373 3.256 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423230977 309391502 /nfs/dbraw/zinc/39/15/02/309391502.db2.gz AGWUTZZXZWWCGU-JKSUJKDBSA-N 2 2 342.439 3.432 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1NC(C)=O ZINC000423249365 309392242 /nfs/dbraw/zinc/39/22/42/309392242.db2.gz SVLPSXWYDGTBKG-GUYCJALGSA-N 2 2 327.428 3.004 10 0 EGAELP COc1cccc([C@H](C)[NH+]2CCN(Cc3c[nH+]cn3C(C)C)CC2)c1 ZINC000425326919 309473572 /nfs/dbraw/zinc/47/35/72/309473572.db2.gz OWORKQSPCPBMIY-KRWDZBQOSA-N 2 2 342.487 3.351 10 0 EGAELP Cn1c(CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[nH+]c2ccccc21 ZINC000433303302 309685381 /nfs/dbraw/zinc/68/53/81/309685381.db2.gz HWLUSQQGASWJSV-UHFFFAOYSA-N 2 2 335.411 3.279 10 0 EGAELP COc1cc(C)[nH+]c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000435035279 309724472 /nfs/dbraw/zinc/72/44/72/309724472.db2.gz PYYKHPXKRXMIOC-GOSISDBHSA-N 2 2 327.428 3.396 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033443 310031339 /nfs/dbraw/zinc/03/13/39/310031339.db2.gz ZVUYFKGYDDJUNN-UZLBHIALSA-N 2 2 342.487 3.043 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033443 310031340 /nfs/dbraw/zinc/03/13/40/310031340.db2.gz ZVUYFKGYDDJUNN-UZLBHIALSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033443 310031341 /nfs/dbraw/zinc/03/13/41/310031341.db2.gz ZVUYFKGYDDJUNN-UZLBHIALSA-N 2 2 342.487 3.043 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000449033443 310031342 /nfs/dbraw/zinc/03/13/42/310031342.db2.gz ZVUYFKGYDDJUNN-UZLBHIALSA-N 2 2 342.487 3.043 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000449187618 310043178 /nfs/dbraw/zinc/04/31/78/310043178.db2.gz KZZYUYNELNQHSX-OXQOHEQNSA-N 2 2 338.499 3.472 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000449187618 310043179 /nfs/dbraw/zinc/04/31/79/310043179.db2.gz KZZYUYNELNQHSX-OXQOHEQNSA-N 2 2 338.499 3.472 10 0 EGAELP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000449234800 310046456 /nfs/dbraw/zinc/04/64/56/310046456.db2.gz RGPCILQAJNXREW-KZNAEPCWSA-N 2 2 346.519 3.106 10 0 EGAELP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000449257351 310047967 /nfs/dbraw/zinc/04/79/67/310047967.db2.gz IKLWWFFYUQPNHN-LLVKDONJSA-N 2 2 346.406 3.389 10 0 EGAELP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397598 310058666 /nfs/dbraw/zinc/05/86/66/310058666.db2.gz QWKTXJNSARSWEV-PBHICJAKSA-N 2 2 344.421 3.245 10 0 EGAELP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)F)cc1 ZINC000449397598 310058667 /nfs/dbraw/zinc/05/86/67/310058667.db2.gz QWKTXJNSARSWEV-PBHICJAKSA-N 2 2 344.421 3.245 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000449489054 310066219 /nfs/dbraw/zinc/06/62/19/310066219.db2.gz NWHTYXIPPQSYCK-IEBWSBKVSA-N 2 2 334.479 3.253 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449489054 310066220 /nfs/dbraw/zinc/06/62/20/310066220.db2.gz NWHTYXIPPQSYCK-IEBWSBKVSA-N 2 2 334.479 3.253 10 0 EGAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000449520155 310068977 /nfs/dbraw/zinc/06/89/77/310068977.db2.gz DLGWRXRRQKCCFI-BXTJHSDWSA-N 2 2 329.488 3.244 10 0 EGAELP Fc1ccc(-c2cn3c([nH+]2)CC[C@@H]([NH2+]Cc2cncs2)C3)c(F)c1 ZINC000449549440 310070691 /nfs/dbraw/zinc/07/06/91/310070691.db2.gz XYQAXMSRGNYQDG-GFCCVEGCSA-N 2 2 346.406 3.389 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206866 310264000 /nfs/dbraw/zinc/26/40/00/310264000.db2.gz VMENPIQXETWZKQ-PXNSSMCTSA-N 2 2 346.515 3.071 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206866 310264001 /nfs/dbraw/zinc/26/40/01/310264001.db2.gz VMENPIQXETWZKQ-PXNSSMCTSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)(F)F ZINC000453259770 310267488 /nfs/dbraw/zinc/26/74/88/310267488.db2.gz IMBSMXLBFDROOC-KGLIPLIRSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452063 312117444 /nfs/dbraw/zinc/11/74/44/312117444.db2.gz KERHHAPKEWRWOI-KDXIVRHGSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509452063 312117446 /nfs/dbraw/zinc/11/74/46/312117446.db2.gz KERHHAPKEWRWOI-KDXIVRHGSA-N 2 2 336.479 3.422 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659620 312122259 /nfs/dbraw/zinc/12/22/59/312122259.db2.gz VGPHMLIFMXJEJN-OAHLLOKOSA-N 2 2 338.398 3.172 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659620 312122261 /nfs/dbraw/zinc/12/22/61/312122261.db2.gz VGPHMLIFMXJEJN-OAHLLOKOSA-N 2 2 338.398 3.172 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659620 312122263 /nfs/dbraw/zinc/12/22/63/312122263.db2.gz VGPHMLIFMXJEJN-OAHLLOKOSA-N 2 2 338.398 3.172 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000509659620 312122266 /nfs/dbraw/zinc/12/22/66/312122266.db2.gz VGPHMLIFMXJEJN-OAHLLOKOSA-N 2 2 338.398 3.172 10 0 EGAELP CC(C)O[C@@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000528727931 313157309 /nfs/dbraw/zinc/15/73/09/313157309.db2.gz XLZSBYGFECTDGM-FQEVSTJZSA-N 2 2 346.515 3.339 10 0 EGAELP COc1ccc(CN2CC[C@H]2C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000529646120 313377860 /nfs/dbraw/zinc/37/78/60/313377860.db2.gz ZRBMDKNFTQZWTL-FQEVSTJZSA-N 2 2 339.483 3.195 10 0 EGAELP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179081 313491200 /nfs/dbraw/zinc/49/12/00/313491200.db2.gz SQWWZWMLKHZFNS-FQEVSTJZSA-N 2 2 332.451 3.400 10 0 EGAELP c1cc(-c2ccccc2)sc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000530214940 313498060 /nfs/dbraw/zinc/49/80/60/313498060.db2.gz ZBORYQYVAJUSCG-HKUYNNGSSA-N 2 2 328.481 3.272 10 0 EGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000533347483 313897869 /nfs/dbraw/zinc/89/78/69/313897869.db2.gz VRHHTDXCVRAAKR-UHFFFAOYSA-N 2 2 327.472 3.375 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000535512438 314050148 /nfs/dbraw/zinc/05/01/48/314050148.db2.gz RDYDFBCBZXYRDF-UHFFFAOYSA-N 2 2 349.837 3.384 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000539066107 314293854 /nfs/dbraw/zinc/29/38/54/314293854.db2.gz XBLYXEUJTNPBIY-XPKDYRNWSA-N 2 2 325.294 3.310 10 0 EGAELP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000539066107 314293857 /nfs/dbraw/zinc/29/38/57/314293857.db2.gz XBLYXEUJTNPBIY-XPKDYRNWSA-N 2 2 325.294 3.310 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000553010542 315241935 /nfs/dbraw/zinc/24/19/35/315241935.db2.gz NMUUGURCIXQUFO-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000553010542 315241937 /nfs/dbraw/zinc/24/19/37/315241937.db2.gz NMUUGURCIXQUFO-HNNXBMFYSA-N 2 2 338.455 3.167 10 0 EGAELP Fc1ccc2c(cc[nH+]c2N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000563425075 316019711 /nfs/dbraw/zinc/01/97/11/316019711.db2.gz VMLLJJXEJVLBSF-KRWDZBQOSA-N 2 2 329.419 3.065 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@]2(CCSC2)C1 ZINC000564215397 316125193 /nfs/dbraw/zinc/12/51/93/316125193.db2.gz YOTGDJGYFWOHQY-HXUWFJFHSA-N 2 2 348.556 3.353 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@]2(CCSC2)C1 ZINC000564215397 316125196 /nfs/dbraw/zinc/12/51/96/316125196.db2.gz YOTGDJGYFWOHQY-HXUWFJFHSA-N 2 2 348.556 3.353 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000564215397 316125200 /nfs/dbraw/zinc/12/52/00/316125200.db2.gz YOTGDJGYFWOHQY-HXUWFJFHSA-N 2 2 348.556 3.353 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000564215397 316125202 /nfs/dbraw/zinc/12/52/02/316125202.db2.gz YOTGDJGYFWOHQY-HXUWFJFHSA-N 2 2 348.556 3.353 10 0 EGAELP Cc1[nH+]c2ccccn2c1CNc1cc[nH+]c(C)c1Br ZINC000564886777 316226373 /nfs/dbraw/zinc/22/63/73/316226373.db2.gz XTTRKVXKEDQKCZ-UHFFFAOYSA-N 2 2 331.217 3.143 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987026 316241929 /nfs/dbraw/zinc/24/19/29/316241929.db2.gz MFIGXZAJIXPDBX-IFXJQAMLSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)ccc1F ZINC000564987026 316241933 /nfs/dbraw/zinc/24/19/33/316241933.db2.gz MFIGXZAJIXPDBX-IFXJQAMLSA-N 2 2 344.434 3.321 10 0 EGAELP Cc1[nH]c(CNc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[nH+]c1C ZINC000572663204 317371648 /nfs/dbraw/zinc/37/16/48/317371648.db2.gz HZLIMFDWEZKONI-OKILXGFUSA-N 2 2 328.460 3.248 10 0 EGAELP Cc1[nH]c(CNc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[nH+]c1C ZINC000572663204 317371649 /nfs/dbraw/zinc/37/16/49/317371649.db2.gz HZLIMFDWEZKONI-OKILXGFUSA-N 2 2 328.460 3.248 10 0 EGAELP COc1ccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645379 323245168 /nfs/dbraw/zinc/24/51/68/323245168.db2.gz FDKWENVCGQZDPL-KRWDZBQOSA-N 2 2 341.455 3.293 10 0 EGAELP COc1ccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645379 323245169 /nfs/dbraw/zinc/24/51/69/323245169.db2.gz FDKWENVCGQZDPL-KRWDZBQOSA-N 2 2 341.455 3.293 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000389282296 324278845 /nfs/dbraw/zinc/27/88/45/324278845.db2.gz UXBNPBBXUZPNPT-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000389282296 324278849 /nfs/dbraw/zinc/27/88/49/324278849.db2.gz UXBNPBBXUZPNPT-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000580081956 325201326 /nfs/dbraw/zinc/20/13/26/325201326.db2.gz JVVGVKVUVCXKJH-UHFFFAOYSA-N 2 2 332.488 3.208 10 0 EGAELP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000580223172 325221294 /nfs/dbraw/zinc/22/12/94/325221294.db2.gz AWNTYCYHUOYMAV-NHCUHLMSSA-N 2 2 340.467 3.499 10 0 EGAELP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000580223172 325221295 /nfs/dbraw/zinc/22/12/95/325221295.db2.gz AWNTYCYHUOYMAV-NHCUHLMSSA-N 2 2 340.467 3.499 10 0 EGAELP CC(C)CC[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000580424185 325248808 /nfs/dbraw/zinc/24/88/08/325248808.db2.gz XFPBNUQJPPSWST-GPANFISMSA-N 2 2 336.442 3.178 10 0 EGAELP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580430687 325249464 /nfs/dbraw/zinc/24/94/64/325249464.db2.gz QLDVRNFABNZAAL-MRXNPFEDSA-N 2 2 328.485 3.133 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581549148 325371031 /nfs/dbraw/zinc/37/10/31/325371031.db2.gz YGNVLELEYJWZIX-OXQOHEQNSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581549148 325371032 /nfs/dbraw/zinc/37/10/32/325371032.db2.gz YGNVLELEYJWZIX-OXQOHEQNSA-N 2 2 329.488 3.213 10 0 EGAELP CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183150466 455239343 /nfs/dbraw/zinc/23/93/43/455239343.db2.gz IDEOTVNHZAUMMZ-ZDUSSCGKSA-N 2 2 337.427 3.090 10 0 EGAELP C[N@H+](Cc1ccc(Br)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530222191 458721973 /nfs/dbraw/zinc/72/19/73/458721973.db2.gz QVXJNTRXAJWIBW-FOSCPWQOSA-N 2 2 345.231 3.442 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530222191 458721977 /nfs/dbraw/zinc/72/19/77/458721977.db2.gz QVXJNTRXAJWIBW-FOSCPWQOSA-N 2 2 345.231 3.442 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(I)cc1 ZINC000600707624 460574909 /nfs/dbraw/zinc/57/49/09/460574909.db2.gz CRASEEMLHBVUGA-GYSYKLTISA-N 2 2 344.240 3.082 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245697059 455357992 /nfs/dbraw/zinc/35/79/92/455357992.db2.gz BEUCQMQKZMQLNU-JXFKEZNVSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245697059 455357997 /nfs/dbraw/zinc/35/79/97/455357997.db2.gz BEUCQMQKZMQLNU-JXFKEZNVSA-N 2 2 335.455 3.460 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515581 460591904 /nfs/dbraw/zinc/59/19/04/460591904.db2.gz HHKLGJIBLPNAIN-MOPGFXCFSA-N 2 2 339.483 3.052 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515581 460591907 /nfs/dbraw/zinc/59/19/07/460591907.db2.gz HHKLGJIBLPNAIN-MOPGFXCFSA-N 2 2 339.483 3.052 10 0 EGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245707508 455362010 /nfs/dbraw/zinc/36/20/10/455362010.db2.gz BZJVBPSSQFAOIJ-HOCLYGCPSA-N 2 2 333.505 3.269 10 0 EGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245707508 455362012 /nfs/dbraw/zinc/36/20/12/455362012.db2.gz BZJVBPSSQFAOIJ-HOCLYGCPSA-N 2 2 333.505 3.269 10 0 EGAELP Cc1ncc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)n1-c1ccccc1 ZINC000084290537 453982279 /nfs/dbraw/zinc/98/22/79/453982279.db2.gz BUTZQJCXNVWKEG-UHFFFAOYSA-N 2 2 344.422 3.051 10 0 EGAELP COc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C(C)C)nn1C ZINC000069414955 454102751 /nfs/dbraw/zinc/10/27/51/454102751.db2.gz VGZJWIYKCIMZOW-UHFFFAOYSA-N 2 2 339.443 3.028 10 0 EGAELP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000069653347 454128701 /nfs/dbraw/zinc/12/87/01/454128701.db2.gz BOYLEZJSPNNWRB-UHFFFAOYSA-N 2 2 345.443 3.089 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000246083273 455423511 /nfs/dbraw/zinc/42/35/11/455423511.db2.gz IBUWRFUGJDDGSL-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000246083273 455423515 /nfs/dbraw/zinc/42/35/15/455423515.db2.gz IBUWRFUGJDDGSL-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000246083273 455423519 /nfs/dbraw/zinc/42/35/19/455423519.db2.gz IBUWRFUGJDDGSL-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000246083273 455423521 /nfs/dbraw/zinc/42/35/21/455423521.db2.gz IBUWRFUGJDDGSL-HNAYVOBHSA-N 2 2 330.472 3.153 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305278 454292739 /nfs/dbraw/zinc/29/27/39/454292739.db2.gz VCPMEKQIIVTWCQ-HOTGVXAUSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305278 454292742 /nfs/dbraw/zinc/29/27/42/454292742.db2.gz VCPMEKQIIVTWCQ-HOTGVXAUSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305278 454292748 /nfs/dbraw/zinc/29/27/48/454292748.db2.gz VCPMEKQIIVTWCQ-HOTGVXAUSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305278 454292752 /nfs/dbraw/zinc/29/27/52/454292752.db2.gz VCPMEKQIIVTWCQ-HOTGVXAUSA-N 2 2 327.472 3.321 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCSCc3ccccc3)CC2)CCO1 ZINC000090519061 454314897 /nfs/dbraw/zinc/31/48/97/454314897.db2.gz WVPKWUXMCPGJHE-SFHVURJKSA-N 2 2 348.556 3.495 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](CCCSCc3ccccc3)CC2)CCO1 ZINC000090519061 454314902 /nfs/dbraw/zinc/31/49/02/454314902.db2.gz WVPKWUXMCPGJHE-SFHVURJKSA-N 2 2 348.556 3.495 10 0 EGAELP Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc(-c2ccncc2)[nH+]1 ZINC000132636266 454353525 /nfs/dbraw/zinc/35/35/25/454353525.db2.gz CMNDDTKPPBBHNS-MRXNPFEDSA-N 2 2 348.454 3.040 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623615429 460642564 /nfs/dbraw/zinc/64/25/64/460642564.db2.gz CROJGJHTFYAHTO-KLZNWCGWSA-N 2 2 340.389 3.137 10 0 EGAELP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623615429 460642565 /nfs/dbraw/zinc/64/25/65/460642565.db2.gz CROJGJHTFYAHTO-KLZNWCGWSA-N 2 2 340.389 3.137 10 0 EGAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618779 460643541 /nfs/dbraw/zinc/64/35/41/460643541.db2.gz DOZFNCIAWKCUPW-AABGKKOBSA-N 2 2 343.515 3.032 10 0 EGAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618779 460643546 /nfs/dbraw/zinc/64/35/46/460643546.db2.gz DOZFNCIAWKCUPW-AABGKKOBSA-N 2 2 343.515 3.032 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000105922513 454668705 /nfs/dbraw/zinc/66/87/05/454668705.db2.gz VDAZPYYEYXUBDL-MRXNPFEDSA-N 2 2 328.460 3.303 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000105922513 454668711 /nfs/dbraw/zinc/66/87/11/454668711.db2.gz VDAZPYYEYXUBDL-MRXNPFEDSA-N 2 2 328.460 3.303 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1 ZINC000106215700 454685410 /nfs/dbraw/zinc/68/54/10/454685410.db2.gz WBMOYFHRKPZKCW-ROUUACIJSA-N 2 2 348.535 3.413 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1 ZINC000106215700 454685415 /nfs/dbraw/zinc/68/54/15/454685415.db2.gz WBMOYFHRKPZKCW-ROUUACIJSA-N 2 2 348.535 3.413 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000106215124 454685439 /nfs/dbraw/zinc/68/54/39/454685439.db2.gz IBEYMIAJLHXCOY-YOEHRIQHSA-N 2 2 344.434 3.249 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000106215124 454685442 /nfs/dbraw/zinc/68/54/42/454685442.db2.gz IBEYMIAJLHXCOY-YOEHRIQHSA-N 2 2 344.434 3.249 10 0 EGAELP CCCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147831 454689105 /nfs/dbraw/zinc/68/91/05/454689105.db2.gz JACLPZIPTZWKCJ-HXUWFJFHSA-N 2 2 345.531 3.077 10 0 EGAELP CCCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000093147831 454689108 /nfs/dbraw/zinc/68/91/08/454689108.db2.gz JACLPZIPTZWKCJ-HXUWFJFHSA-N 2 2 345.531 3.077 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000139870813 454812795 /nfs/dbraw/zinc/81/27/95/454812795.db2.gz YOAVSXSLUOODMR-IBGZPJMESA-N 2 2 347.466 3.118 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000139870813 454812800 /nfs/dbraw/zinc/81/28/00/454812800.db2.gz YOAVSXSLUOODMR-IBGZPJMESA-N 2 2 347.466 3.118 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CC1 ZINC000110431770 454846694 /nfs/dbraw/zinc/84/66/94/454846694.db2.gz SPYSYUAGEVYFNR-OAQYLSRUSA-N 2 2 342.458 3.283 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CC1 ZINC000110431770 454846696 /nfs/dbraw/zinc/84/66/96/454846696.db2.gz SPYSYUAGEVYFNR-OAQYLSRUSA-N 2 2 342.458 3.283 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000110431770 454846701 /nfs/dbraw/zinc/84/67/01/454846701.db2.gz SPYSYUAGEVYFNR-OAQYLSRUSA-N 2 2 342.458 3.283 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000110431770 454846703 /nfs/dbraw/zinc/84/67/03/454846703.db2.gz SPYSYUAGEVYFNR-OAQYLSRUSA-N 2 2 342.458 3.283 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000126626201 454906499 /nfs/dbraw/zinc/90/64/99/454906499.db2.gz SJEXVULRRPFDKN-KURKYZTESA-N 2 2 346.515 3.432 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154552344 454906899 /nfs/dbraw/zinc/90/68/99/454906899.db2.gz DYEWRLMEDKXOAV-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154552344 454906900 /nfs/dbraw/zinc/90/69/00/454906900.db2.gz DYEWRLMEDKXOAV-RISCZKNCSA-N 2 2 329.257 3.203 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000151115355 454939758 /nfs/dbraw/zinc/93/97/58/454939758.db2.gz ZAJNTWKWTJXCIW-HNNXBMFYSA-N 2 2 345.418 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000151115355 454939762 /nfs/dbraw/zinc/93/97/62/454939762.db2.gz ZAJNTWKWTJXCIW-HNNXBMFYSA-N 2 2 345.418 3.208 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000178322690 454948837 /nfs/dbraw/zinc/94/88/37/454948837.db2.gz YWXUAAJIQUHATN-HNNXBMFYSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000178322690 454948840 /nfs/dbraw/zinc/94/88/40/454948840.db2.gz YWXUAAJIQUHATN-HNNXBMFYSA-N 2 2 346.862 3.256 10 0 EGAELP CCc1ccc(CN2CC[NH+](CCCn3cc[nH+]c3C)CC2)s1 ZINC000127369010 454957729 /nfs/dbraw/zinc/95/77/29/454957729.db2.gz LDEJCGNVRFOZGA-UHFFFAOYSA-N 2 2 332.517 3.023 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178649900 454966340 /nfs/dbraw/zinc/96/63/40/454966340.db2.gz GXHOGYLAJMXJKT-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178649900 454966346 /nfs/dbraw/zinc/96/63/46/454966346.db2.gz GXHOGYLAJMXJKT-DZGCQCFKSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000151343143 454972388 /nfs/dbraw/zinc/97/23/88/454972388.db2.gz CYALQWZEDSLJHA-HIFRSBDPSA-N 2 2 346.393 3.083 10 0 EGAELP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151482184 454990942 /nfs/dbraw/zinc/99/09/42/454990942.db2.gz GPQXBRYWVYAZST-AWEZNQCLSA-N 2 2 335.411 3.077 10 0 EGAELP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000115613614 455022577 /nfs/dbraw/zinc/02/25/77/455022577.db2.gz NYTWJGFVSLIEJS-QGZVFWFLSA-N 2 2 346.446 3.331 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129784728 455126080 /nfs/dbraw/zinc/12/60/80/455126080.db2.gz YWOGHQHDXGSBHV-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000129784728 455126083 /nfs/dbraw/zinc/12/60/83/455126083.db2.gz YWOGHQHDXGSBHV-NVXWUHKLSA-N 2 2 337.427 3.325 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129851683 455130188 /nfs/dbraw/zinc/13/01/88/455130188.db2.gz HEESNEORVWWPMF-OCCSQVGLSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129851683 455130193 /nfs/dbraw/zinc/13/01/93/455130193.db2.gz HEESNEORVWWPMF-OCCSQVGLSA-N 2 2 329.429 3.078 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440704 455300097 /nfs/dbraw/zinc/30/00/97/455300097.db2.gz UTNNSVHTOJNDPO-PKOBYXMFSA-N 2 2 331.504 3.090 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440704 455300101 /nfs/dbraw/zinc/30/01/01/455300101.db2.gz UTNNSVHTOJNDPO-PKOBYXMFSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440704 455300104 /nfs/dbraw/zinc/30/01/04/455300104.db2.gz UTNNSVHTOJNDPO-PKOBYXMFSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440704 455300107 /nfs/dbraw/zinc/30/01/07/455300107.db2.gz UTNNSVHTOJNDPO-PKOBYXMFSA-N 2 2 331.504 3.090 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442010 455300188 /nfs/dbraw/zinc/30/01/88/455300188.db2.gz VWPQTSZMZGRLJS-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442010 455300191 /nfs/dbraw/zinc/30/01/91/455300191.db2.gz VWPQTSZMZGRLJS-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442010 455300194 /nfs/dbraw/zinc/30/01/94/455300194.db2.gz VWPQTSZMZGRLJS-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245442010 455300196 /nfs/dbraw/zinc/30/01/96/455300196.db2.gz VWPQTSZMZGRLJS-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000190418624 455312114 /nfs/dbraw/zinc/31/21/14/455312114.db2.gz MVAYVSJXZGVLBC-MJGOQNOKSA-N 2 2 331.504 3.087 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181675533 455370731 /nfs/dbraw/zinc/37/07/31/455370731.db2.gz QDMKGIDUJDICFH-HOCLYGCPSA-N 2 2 332.444 3.203 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181675533 455370739 /nfs/dbraw/zinc/37/07/39/455370739.db2.gz QDMKGIDUJDICFH-HOCLYGCPSA-N 2 2 332.444 3.203 10 0 EGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000191628957 455505552 /nfs/dbraw/zinc/50/55/52/455505552.db2.gz JAMWDISMAURZTA-LLVKDONJSA-N 2 2 327.266 3.203 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247218665 455574580 /nfs/dbraw/zinc/57/45/80/455574580.db2.gz RBGAJAQLYDRGKF-HNAYVOBHSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247218665 455574583 /nfs/dbraw/zinc/57/45/83/455574583.db2.gz RBGAJAQLYDRGKF-HNAYVOBHSA-N 2 2 332.488 3.450 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247218665 455574592 /nfs/dbraw/zinc/57/45/92/455574592.db2.gz RBGAJAQLYDRGKF-HNAYVOBHSA-N 2 2 332.488 3.450 10 0 EGAELP Cc1noc(C2CCC([NH2+][C@@H](Cc3ccccc3)C[NH+](C)C)CC2)n1 ZINC000292346680 455636519 /nfs/dbraw/zinc/63/65/19/455636519.db2.gz XZUKBLHADZPNFV-ACBHZAAOSA-N 2 2 342.487 3.167 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000247886183 455651975 /nfs/dbraw/zinc/65/19/75/455651975.db2.gz DAUMQVJKAGWXEJ-XOKHGSTOSA-N 2 2 342.405 3.155 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000247886183 455651980 /nfs/dbraw/zinc/65/19/80/455651980.db2.gz DAUMQVJKAGWXEJ-XOKHGSTOSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000247886183 455651985 /nfs/dbraw/zinc/65/19/85/455651985.db2.gz DAUMQVJKAGWXEJ-XOKHGSTOSA-N 2 2 342.405 3.155 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000247886183 455651986 /nfs/dbraw/zinc/65/19/86/455651986.db2.gz DAUMQVJKAGWXEJ-XOKHGSTOSA-N 2 2 342.405 3.155 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001325 455669279 /nfs/dbraw/zinc/66/92/79/455669279.db2.gz KLBWETPKKCXPFV-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001325 455669284 /nfs/dbraw/zinc/66/92/84/455669284.db2.gz KLBWETPKKCXPFV-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248001325 455669289 /nfs/dbraw/zinc/66/92/89/455669289.db2.gz KLBWETPKKCXPFV-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248001325 455669294 /nfs/dbraw/zinc/66/92/94/455669294.db2.gz KLBWETPKKCXPFV-HKUYNNGSSA-N 2 2 329.488 3.165 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573731 455689239 /nfs/dbraw/zinc/68/92/39/455689239.db2.gz ZBCUEEQQHWYEGS-YLJYHZDGSA-N 2 2 338.499 3.148 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)n1 ZINC000271573731 455689241 /nfs/dbraw/zinc/68/92/41/455689241.db2.gz ZBCUEEQQHWYEGS-YLJYHZDGSA-N 2 2 338.499 3.148 10 0 EGAELP CCn1nccc1CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000284548493 455703767 /nfs/dbraw/zinc/70/37/67/455703767.db2.gz XQGGJJMGITZLJL-GOSISDBHSA-N 2 2 337.471 3.268 10 0 EGAELP CCn1nccc1CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000284548493 455703775 /nfs/dbraw/zinc/70/37/75/455703775.db2.gz XQGGJJMGITZLJL-GOSISDBHSA-N 2 2 337.471 3.268 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000271766587 455752847 /nfs/dbraw/zinc/75/28/47/455752847.db2.gz DHRGVNFHJJYYSK-CQSZACIVSA-N 2 2 338.879 3.408 10 0 EGAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606581854 460700627 /nfs/dbraw/zinc/70/06/27/460700627.db2.gz SVTNRWYIEMXQPG-GOSISDBHSA-N 2 2 349.438 3.293 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858902 456158114 /nfs/dbraw/zinc/15/81/14/456158114.db2.gz RMMNOFXKMKMBDL-HKUYNNGSSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858902 456158120 /nfs/dbraw/zinc/15/81/20/456158120.db2.gz RMMNOFXKMKMBDL-HKUYNNGSSA-N 2 2 341.503 3.046 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236949987 456207532 /nfs/dbraw/zinc/20/75/32/456207532.db2.gz UFNDASLVUCNAFY-HZPDHXFCSA-N 2 2 326.444 3.416 10 0 EGAELP CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000333524318 456228241 /nfs/dbraw/zinc/22/82/41/456228241.db2.gz WXKAUTCNRPKKHT-CQSZACIVSA-N 2 2 342.491 3.015 10 0 EGAELP CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000333524318 456228247 /nfs/dbraw/zinc/22/82/47/456228247.db2.gz WXKAUTCNRPKKHT-CQSZACIVSA-N 2 2 342.491 3.015 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237110823 456234654 /nfs/dbraw/zinc/23/46/54/456234654.db2.gz ZKDAOPKUILPWTN-FQEVSTJZSA-N 2 2 338.451 3.227 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237110823 456234656 /nfs/dbraw/zinc/23/46/56/456234656.db2.gz ZKDAOPKUILPWTN-FQEVSTJZSA-N 2 2 338.451 3.227 10 0 EGAELP C[NH+](C)[C@H](CNc1nc(N2Cc3ccccc3C2)cc[nH+]1)c1ccco1 ZINC000623797148 460720627 /nfs/dbraw/zinc/72/06/27/460720627.db2.gz CISNWQGNJPGFJY-QGZVFWFLSA-N 2 2 349.438 3.305 10 0 EGAELP CCc1cc(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)nc(C)[nH+]1 ZINC000302128354 456293882 /nfs/dbraw/zinc/29/38/82/456293882.db2.gz GEIAYZHIDVJCKP-UHFFFAOYSA-N 2 2 340.471 3.220 10 0 EGAELP CCc1cc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)nc(C)[nH+]1 ZINC000302128354 456293891 /nfs/dbraw/zinc/29/38/91/456293891.db2.gz GEIAYZHIDVJCKP-UHFFFAOYSA-N 2 2 340.471 3.220 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933150 456366392 /nfs/dbraw/zinc/36/63/92/456366392.db2.gz BBQRAMCHIYSHCW-FUHWJXTLSA-N 2 2 341.503 3.033 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000281933150 456366398 /nfs/dbraw/zinc/36/63/98/456366398.db2.gz BBQRAMCHIYSHCW-FUHWJXTLSA-N 2 2 341.503 3.033 10 0 EGAELP Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000353104552 456492507 /nfs/dbraw/zinc/49/25/07/456492507.db2.gz FUJNPAGDYQSCFZ-HNNXBMFYSA-N 2 2 325.437 3.336 10 0 EGAELP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373946 456666087 /nfs/dbraw/zinc/66/60/87/456666087.db2.gz LKGVJPSUJPJYRB-QAPCUYQASA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)cc1 ZINC000324373946 456666094 /nfs/dbraw/zinc/66/60/94/456666094.db2.gz LKGVJPSUJPJYRB-QAPCUYQASA-N 2 2 329.419 3.445 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324585064 456668939 /nfs/dbraw/zinc/66/89/39/456668939.db2.gz BXDRUAFUSKEEPV-WMZOPIPTSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324585064 456668945 /nfs/dbraw/zinc/66/89/45/456668945.db2.gz BXDRUAFUSKEEPV-WMZOPIPTSA-N 2 2 329.488 3.213 10 0 EGAELP Cc1noc([C@H]2CN(c3c(C)c(C)[nH+]c4ccccc43)CC[N@H+]2C)n1 ZINC000328991270 456808411 /nfs/dbraw/zinc/80/84/11/456808411.db2.gz SIUGYTJWAJYKBI-QGZVFWFLSA-N 2 2 337.427 3.036 10 0 EGAELP Cc1noc([C@H]2CN(c3c(C)c(C)[nH+]c4ccccc43)CC[N@@H+]2C)n1 ZINC000328991270 456808414 /nfs/dbraw/zinc/80/84/14/456808414.db2.gz SIUGYTJWAJYKBI-QGZVFWFLSA-N 2 2 337.427 3.036 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128158 456863069 /nfs/dbraw/zinc/86/30/69/456863069.db2.gz KZOUZPOKSFQMAP-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128158 456863073 /nfs/dbraw/zinc/86/30/73/456863073.db2.gz KZOUZPOKSFQMAP-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128158 456863078 /nfs/dbraw/zinc/86/30/78/456863078.db2.gz KZOUZPOKSFQMAP-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cncc(OCc4ccccc4)c3)C2)C1 ZINC000292128158 456863083 /nfs/dbraw/zinc/86/30/83/456863083.db2.gz KZOUZPOKSFQMAP-NRFANRHFSA-N 2 2 337.467 3.188 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162858 456873152 /nfs/dbraw/zinc/87/31/52/456873152.db2.gz OTBOECCCGUPZNX-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162858 456873157 /nfs/dbraw/zinc/87/31/57/456873157.db2.gz OTBOECCCGUPZNX-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162858 456873162 /nfs/dbraw/zinc/87/31/62/456873162.db2.gz OTBOECCCGUPZNX-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292162858 456873166 /nfs/dbraw/zinc/87/31/66/456873166.db2.gz OTBOECCCGUPZNX-IERDGZPVSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162853 456873198 /nfs/dbraw/zinc/87/31/98/456873198.db2.gz OTBOECCCGUPZNX-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162853 456873203 /nfs/dbraw/zinc/87/32/03/456873203.db2.gz OTBOECCCGUPZNX-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162853 456873211 /nfs/dbraw/zinc/87/32/11/456873211.db2.gz OTBOECCCGUPZNX-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292162853 456873216 /nfs/dbraw/zinc/87/32/16/456873216.db2.gz OTBOECCCGUPZNX-HRAATJIYSA-N 2 2 337.467 3.194 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338962851 456878765 /nfs/dbraw/zinc/87/87/65/456878765.db2.gz HIJRJSXEMRYCOH-UHFFFAOYSA-N 2 2 338.386 3.109 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOc2cccc(F)c2C1 ZINC000338962851 456878775 /nfs/dbraw/zinc/87/87/75/456878775.db2.gz HIJRJSXEMRYCOH-UHFFFAOYSA-N 2 2 338.386 3.109 10 0 EGAELP C[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)C[NH+]1CCOCC1 ZINC000341703319 456907258 /nfs/dbraw/zinc/90/72/58/456907258.db2.gz YUIFXNFPKGFIQI-PBHICJAKSA-N 2 2 338.879 3.112 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356052 456951437 /nfs/dbraw/zinc/95/14/37/456951437.db2.gz VHIVALNOETVCSB-PXKYIRMRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356052 456951442 /nfs/dbraw/zinc/95/14/42/456951442.db2.gz VHIVALNOETVCSB-PXKYIRMRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349356052 456951444 /nfs/dbraw/zinc/95/14/44/456951444.db2.gz VHIVALNOETVCSB-PXKYIRMRSA-N 2 2 343.515 3.146 10 0 EGAELP C[C@H]1C[C@@H]1c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349356052 456951449 /nfs/dbraw/zinc/95/14/49/456951449.db2.gz VHIVALNOETVCSB-PXKYIRMRSA-N 2 2 343.515 3.146 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476250 456980361 /nfs/dbraw/zinc/98/03/61/456980361.db2.gz CRBVSAHLDKWRHZ-JKSUJKDBSA-N 2 2 330.394 3.208 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476250 456980362 /nfs/dbraw/zinc/98/03/62/456980362.db2.gz CRBVSAHLDKWRHZ-JKSUJKDBSA-N 2 2 330.394 3.208 10 0 EGAELP Clc1cnn([C@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000356530418 457039280 /nfs/dbraw/zinc/03/92/80/457039280.db2.gz RVMXGIKMHRLUQY-ZDUSSCGKSA-N 2 2 333.848 3.231 10 0 EGAELP Clc1cnn([C@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000356530418 457039285 /nfs/dbraw/zinc/03/92/85/457039285.db2.gz RVMXGIKMHRLUQY-ZDUSSCGKSA-N 2 2 333.848 3.231 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000354105747 457066421 /nfs/dbraw/zinc/06/64/21/457066421.db2.gz DQESRDKDUCRCTF-HXUWFJFHSA-N 2 2 338.499 3.095 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000354105747 457066426 /nfs/dbraw/zinc/06/64/26/457066426.db2.gz DQESRDKDUCRCTF-HXUWFJFHSA-N 2 2 338.499 3.095 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433737 457115725 /nfs/dbraw/zinc/11/57/25/457115725.db2.gz YTYNRZZXQUFLDK-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433737 457115731 /nfs/dbraw/zinc/11/57/31/457115731.db2.gz YTYNRZZXQUFLDK-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433737 457115737 /nfs/dbraw/zinc/11/57/37/457115737.db2.gz YTYNRZZXQUFLDK-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)C1 ZINC000339433737 457115742 /nfs/dbraw/zinc/11/57/42/457115742.db2.gz YTYNRZZXQUFLDK-IBGZPJMESA-N 2 2 329.419 3.398 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360020340 457207926 /nfs/dbraw/zinc/20/79/26/457207926.db2.gz LJMXNQUAWRUOSV-HZPDHXFCSA-N 2 2 340.471 3.163 10 0 EGAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000360020340 457207935 /nfs/dbraw/zinc/20/79/35/457207935.db2.gz LJMXNQUAWRUOSV-HZPDHXFCSA-N 2 2 340.471 3.163 10 0 EGAELP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000369749877 457381645 /nfs/dbraw/zinc/38/16/45/457381645.db2.gz KFKKQQFEYTVVTM-KRWDZBQOSA-N 2 2 338.386 3.192 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c[nH+]1 ZINC000361058422 457553588 /nfs/dbraw/zinc/55/35/88/457553588.db2.gz PQGULCSYNRVVDW-UHFFFAOYSA-N 2 2 341.455 3.347 10 0 EGAELP CC[N@H+](CCC(C)(C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370167263 457572136 /nfs/dbraw/zinc/57/21/36/457572136.db2.gz LZXVJBZACXEMQE-UHFFFAOYSA-N 2 2 348.535 3.360 10 0 EGAELP CC[N@@H+](CCC(C)(C)O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370167263 457572143 /nfs/dbraw/zinc/57/21/43/457572143.db2.gz LZXVJBZACXEMQE-UHFFFAOYSA-N 2 2 348.535 3.360 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](CC(N)=O)C(C)(C)C ZINC000361323931 457692703 /nfs/dbraw/zinc/69/27/03/457692703.db2.gz JWTKIRPVUMQCCC-UHFFFAOYSA-N 2 2 330.476 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](CC(N)=O)C(C)(C)C ZINC000361323931 457692708 /nfs/dbraw/zinc/69/27/08/457692708.db2.gz JWTKIRPVUMQCCC-UHFFFAOYSA-N 2 2 330.476 3.101 10 0 EGAELP COC(=O)[C@@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000361395741 457717346 /nfs/dbraw/zinc/71/73/46/457717346.db2.gz PWUPYCAVCLGHHQ-DOTOQJQBSA-N 2 2 343.471 3.398 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000361395741 457717347 /nfs/dbraw/zinc/71/73/47/457717347.db2.gz PWUPYCAVCLGHHQ-DOTOQJQBSA-N 2 2 343.471 3.398 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H](C)C1 ZINC000358311332 457926374 /nfs/dbraw/zinc/92/63/74/457926374.db2.gz YTULHUUUEPLSKX-PXNSSMCTSA-N 2 2 348.535 3.225 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H](C)C1 ZINC000358311332 457926377 /nfs/dbraw/zinc/92/63/77/457926377.db2.gz YTULHUUUEPLSKX-PXNSSMCTSA-N 2 2 348.535 3.225 10 0 EGAELP Clc1cccc(-c2nnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)c1 ZINC000434981000 458073881 /nfs/dbraw/zinc/07/38/81/458073881.db2.gz CKCYBXYJPBYDIW-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002200 458252549 /nfs/dbraw/zinc/25/25/49/458252549.db2.gz JHCWFOOOFQDOTL-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002200 458252551 /nfs/dbraw/zinc/25/25/51/458252551.db2.gz JHCWFOOOFQDOTL-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429002200 458252554 /nfs/dbraw/zinc/25/25/54/458252554.db2.gz JHCWFOOOFQDOTL-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429002200 458252556 /nfs/dbraw/zinc/25/25/56/458252556.db2.gz JHCWFOOOFQDOTL-UGSOOPFHSA-N 2 2 346.862 3.479 10 0 EGAELP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000369536171 458254316 /nfs/dbraw/zinc/25/43/16/458254316.db2.gz FFRBZPDRDRLGAG-UHFFFAOYSA-N 2 2 340.414 3.403 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000459377538 458351105 /nfs/dbraw/zinc/35/11/05/458351105.db2.gz XZWBHUXWABNOFK-AWEZNQCLSA-N 2 2 340.254 3.423 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000459377538 458351110 /nfs/dbraw/zinc/35/11/10/458351110.db2.gz XZWBHUXWABNOFK-AWEZNQCLSA-N 2 2 340.254 3.423 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438732 458370765 /nfs/dbraw/zinc/37/07/65/458370765.db2.gz JMALLBLCZWGZBI-FSSWDIPSSA-N 2 2 335.495 3.296 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438732 458370768 /nfs/dbraw/zinc/37/07/68/458370768.db2.gz JMALLBLCZWGZBI-FSSWDIPSSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438732 458370771 /nfs/dbraw/zinc/37/07/71/458370771.db2.gz JMALLBLCZWGZBI-FSSWDIPSSA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000459438732 458370774 /nfs/dbraw/zinc/37/07/74/458370774.db2.gz JMALLBLCZWGZBI-FSSWDIPSSA-N 2 2 335.495 3.296 10 0 EGAELP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000373210534 458431158 /nfs/dbraw/zinc/43/11/58/458431158.db2.gz HDVRKPSGVSPOMY-QGZVFWFLSA-N 2 2 338.879 3.254 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803667 458534150 /nfs/dbraw/zinc/53/41/50/458534150.db2.gz YVHJDSQHVJYHQZ-GXSJLCMTSA-N 2 2 325.334 3.358 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000377803667 458534152 /nfs/dbraw/zinc/53/41/52/458534152.db2.gz YVHJDSQHVJYHQZ-GXSJLCMTSA-N 2 2 325.334 3.358 10 0 EGAELP FC1(F)Oc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2O1 ZINC000424129106 458565348 /nfs/dbraw/zinc/56/53/48/458565348.db2.gz GAZDFQDIJMTGSY-UHFFFAOYSA-N 2 2 347.365 3.162 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H](C)C1 ZINC000424330677 458618168 /nfs/dbraw/zinc/61/81/68/458618168.db2.gz UNFQOFLZTYUJPL-FFGOWVMKSA-N 2 2 334.479 3.350 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H](C)C1 ZINC000424330677 458618175 /nfs/dbraw/zinc/61/81/75/458618175.db2.gz UNFQOFLZTYUJPL-FFGOWVMKSA-N 2 2 334.479 3.350 10 0 EGAELP Cc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000439115828 458656475 /nfs/dbraw/zinc/65/64/75/458656475.db2.gz FDEGSJFGWUASJD-OXQOHEQNSA-N 2 2 347.466 3.372 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000471219923 458685382 /nfs/dbraw/zinc/68/53/82/458685382.db2.gz UNVSXOVTASZIAW-ROUUACIJSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000471219923 458685387 /nfs/dbraw/zinc/68/53/87/458685387.db2.gz UNVSXOVTASZIAW-ROUUACIJSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000471219923 458685392 /nfs/dbraw/zinc/68/53/92/458685392.db2.gz UNVSXOVTASZIAW-ROUUACIJSA-N 2 2 325.541 3.077 10 0 EGAELP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000471219923 458685399 /nfs/dbraw/zinc/68/53/99/458685399.db2.gz UNVSXOVTASZIAW-ROUUACIJSA-N 2 2 325.541 3.077 10 0 EGAELP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217483 458720454 /nfs/dbraw/zinc/72/04/54/458720454.db2.gz TVMJBKUECOKYGA-UXHICEINSA-N 2 2 337.467 3.248 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236139 458726511 /nfs/dbraw/zinc/72/65/11/458726511.db2.gz LAZSZRZRXNASCG-MOPGFXCFSA-N 2 2 336.907 3.240 10 0 EGAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236139 458726516 /nfs/dbraw/zinc/72/65/16/458726516.db2.gz LAZSZRZRXNASCG-MOPGFXCFSA-N 2 2 336.907 3.240 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236142 458726655 /nfs/dbraw/zinc/72/66/55/458726655.db2.gz LAZSZRZRXNASCG-RTBURBONSA-N 2 2 336.907 3.240 10 0 EGAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Cc1cccc(Cl)c1 ZINC000530236142 458726660 /nfs/dbraw/zinc/72/66/60/458726660.db2.gz LAZSZRZRXNASCG-RTBURBONSA-N 2 2 336.907 3.240 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000494926072 458766176 /nfs/dbraw/zinc/76/61/76/458766176.db2.gz WCQIEVHBKZZSSF-SVFBPWRDSA-N 2 2 329.532 3.219 10 0 EGAELP c1nn(-c2ccccc2)c2nc[nH+]c(NC3CC([NH+]4CCCCC4)C3)c12 ZINC000530430656 458766712 /nfs/dbraw/zinc/76/67/12/458766712.db2.gz LRMLEESXPRDYEB-UHFFFAOYSA-N 2 2 348.454 3.244 10 0 EGAELP COc1cccc2c(N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000440641379 458837053 /nfs/dbraw/zinc/83/70/53/458837053.db2.gz ABCZZYHZVFTTSY-FUHWJXTLSA-N 2 2 343.496 3.259 10 0 EGAELP Cc1cc(NCC2([NH+](C)C)CCCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000519037541 458910954 /nfs/dbraw/zinc/91/09/54/458910954.db2.gz GUHJLKNVBQUBBQ-UHFFFAOYSA-N 2 2 339.487 3.335 10 0 EGAELP COc1ccc([C@H](C)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000467544368 458978544 /nfs/dbraw/zinc/97/85/44/458978544.db2.gz UWOMLVAEHZSLKB-QGZVFWFLSA-N 2 2 325.456 3.324 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946335 459004870 /nfs/dbraw/zinc/00/48/70/459004870.db2.gz YVPZJIXPVWMNNQ-VGOFRKELSA-N 3 2 337.511 3.455 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000531946335 459004879 /nfs/dbraw/zinc/00/48/79/459004879.db2.gz YVPZJIXPVWMNNQ-VGOFRKELSA-N 3 2 337.511 3.455 10 0 EGAELP COc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000531967772 459009392 /nfs/dbraw/zinc/00/93/92/459009392.db2.gz KZKJDAUADWOOBP-SJLPKXTDSA-N 2 2 346.515 3.445 10 0 EGAELP COc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000531967772 459009399 /nfs/dbraw/zinc/00/93/99/459009399.db2.gz KZKJDAUADWOOBP-SJLPKXTDSA-N 2 2 346.515 3.445 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970022 459009685 /nfs/dbraw/zinc/00/96/85/459009685.db2.gz YIYMURNPVGATAL-SIKLNZKXSA-N 3 2 343.559 3.261 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970022 459009692 /nfs/dbraw/zinc/00/96/92/459009692.db2.gz YIYMURNPVGATAL-SIKLNZKXSA-N 3 2 343.559 3.261 10 0 EGAELP COc1ccc(C2(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000531967773 459010044 /nfs/dbraw/zinc/01/00/44/459010044.db2.gz KZKJDAUADWOOBP-WMZOPIPTSA-N 2 2 346.515 3.445 10 0 EGAELP COc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000531967773 459010050 /nfs/dbraw/zinc/01/00/50/459010050.db2.gz KZKJDAUADWOOBP-WMZOPIPTSA-N 2 2 346.515 3.445 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983909 459011756 /nfs/dbraw/zinc/01/17/56/459011756.db2.gz MEGHLGRYKDJMSX-IRXDYDNUSA-N 2 2 331.504 3.459 10 0 EGAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983909 459011761 /nfs/dbraw/zinc/01/17/61/459011761.db2.gz MEGHLGRYKDJMSX-IRXDYDNUSA-N 2 2 331.504 3.459 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514668 459104191 /nfs/dbraw/zinc/10/41/91/459104191.db2.gz MTLAZMIZKIKUSG-KXBFYZLASA-N 3 2 335.923 3.092 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514668 459104195 /nfs/dbraw/zinc/10/41/95/459104195.db2.gz MTLAZMIZKIKUSG-KXBFYZLASA-N 3 2 335.923 3.092 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594929633 459180243 /nfs/dbraw/zinc/18/02/43/459180243.db2.gz LJNBBXJAVGGSGX-UHFFFAOYSA-N 2 2 327.428 3.074 10 0 EGAELP C[C@@H](CSCCF)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000595015824 459217187 /nfs/dbraw/zinc/21/71/87/459217187.db2.gz HNBWMDSAPXCHTO-AWEZNQCLSA-N 2 2 328.472 3.471 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591866749 459458254 /nfs/dbraw/zinc/45/82/54/459458254.db2.gz FBBAGTZUOFCVMO-AEFFLSMTSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591866749 459458260 /nfs/dbraw/zinc/45/82/60/459458260.db2.gz FBBAGTZUOFCVMO-AEFFLSMTSA-N 2 2 326.444 3.164 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000583363879 459526467 /nfs/dbraw/zinc/52/64/67/459526467.db2.gz FFCGDSPPSWBKNZ-TYCQWZJGSA-N 2 2 342.458 3.154 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000583363879 459526471 /nfs/dbraw/zinc/52/64/71/459526471.db2.gz FFCGDSPPSWBKNZ-TYCQWZJGSA-N 2 2 342.458 3.154 10 0 EGAELP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000572842619 459584307 /nfs/dbraw/zinc/58/43/07/459584307.db2.gz NZOKPNNWDLZYMF-HNAYVOBHSA-N 2 2 326.444 3.182 10 0 EGAELP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000572842619 459584310 /nfs/dbraw/zinc/58/43/10/459584310.db2.gz NZOKPNNWDLZYMF-HNAYVOBHSA-N 2 2 326.444 3.182 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000527617636 459671341 /nfs/dbraw/zinc/67/13/41/459671341.db2.gz BZIMVEQYPUVUPN-UHFFFAOYSA-N 2 2 339.468 3.406 10 0 EGAELP CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000527617636 459671348 /nfs/dbraw/zinc/67/13/48/459671348.db2.gz BZIMVEQYPUVUPN-UHFFFAOYSA-N 2 2 339.468 3.406 10 0 EGAELP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-n2cncn2)c1 ZINC000527806040 459742719 /nfs/dbraw/zinc/74/27/19/459742719.db2.gz CKMKDLULEWBOJD-QGZVFWFLSA-N 2 2 345.878 3.027 10 0 EGAELP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-n2cncn2)c1 ZINC000527806040 459742723 /nfs/dbraw/zinc/74/27/23/459742723.db2.gz CKMKDLULEWBOJD-QGZVFWFLSA-N 2 2 345.878 3.027 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809930 459745290 /nfs/dbraw/zinc/74/52/90/459745290.db2.gz UKVSDCMPBRYAJC-MMOPVJDHSA-N 2 2 349.478 3.238 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003451 459793610 /nfs/dbraw/zinc/79/36/10/459793610.db2.gz SJSJNQUEBJLKAF-HNAYVOBHSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003451 459793612 /nfs/dbraw/zinc/79/36/12/459793612.db2.gz SJSJNQUEBJLKAF-HNAYVOBHSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006942 459794425 /nfs/dbraw/zinc/79/44/25/459794425.db2.gz ALINZTRHEOHUEV-JXFKEZNVSA-N 2 2 341.499 3.481 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000528006942 459794429 /nfs/dbraw/zinc/79/44/29/459794429.db2.gz ALINZTRHEOHUEV-JXFKEZNVSA-N 2 2 341.499 3.481 10 0 EGAELP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000574650472 459849284 /nfs/dbraw/zinc/84/92/84/459849284.db2.gz AOHSJXSTENTDRM-UHFFFAOYSA-N 2 2 326.488 3.355 10 0 EGAELP C[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593692265 459953355 /nfs/dbraw/zinc/95/33/55/459953355.db2.gz WYDHCBWUBQSNAU-MSOLQXFVSA-N 2 2 330.472 3.241 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588688660 459968838 /nfs/dbraw/zinc/96/88/38/459968838.db2.gz UCXJBGFPVAZBJV-YLJYHZDGSA-N 2 2 342.483 3.229 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588688660 459968840 /nfs/dbraw/zinc/96/88/40/459968840.db2.gz UCXJBGFPVAZBJV-YLJYHZDGSA-N 2 2 342.483 3.229 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCSC2CCCCC2)CC1 ZINC000599623081 460290001 /nfs/dbraw/zinc/29/00/01/460290001.db2.gz QEYAJTQBWMBEMD-UHFFFAOYSA-N 2 2 326.550 3.239 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCSc2ccccc2)CC1 ZINC000626088323 460366292 /nfs/dbraw/zinc/36/62/92/460366292.db2.gz UGBMGJHTCLNWJV-UHFFFAOYSA-N 2 2 334.529 3.356 10 0 EGAELP Fc1cc(Br)c2c(c1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000626132587 460389438 /nfs/dbraw/zinc/38/94/38/460389438.db2.gz PSLBAODELFGBME-UHFFFAOYSA-N 2 2 338.224 3.233 10 0 EGAELP Fc1cc(Br)c2c(c1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000626132587 460389450 /nfs/dbraw/zinc/38/94/50/460389450.db2.gz PSLBAODELFGBME-UHFFFAOYSA-N 2 2 338.224 3.233 10 0 EGAELP CCC1([NH+](C)C)CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000631491831 460408325 /nfs/dbraw/zinc/40/83/25/460408325.db2.gz FGBRPEFZGLYUSS-UHFFFAOYSA-N 2 2 341.297 3.167 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000628476015 460430825 /nfs/dbraw/zinc/43/08/25/460430825.db2.gz VXXSXNSSEXERHO-WMZOPIPTSA-N 2 2 332.488 3.480 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1(C)C ZINC000623415328 460535971 /nfs/dbraw/zinc/53/59/71/460535971.db2.gz HQERVMREGXQRCG-KRWDZBQOSA-N 3 2 339.593 3.201 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@H]2CCCCO2)CCOCC1)c1ccccc1 ZINC000623898087 460767480 /nfs/dbraw/zinc/76/74/80/460767480.db2.gz ZDKSAFREETXKPQ-CMKODMSKSA-N 2 2 346.515 3.434 10 0 EGAELP Fc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000629516739 460791326 /nfs/dbraw/zinc/79/13/26/460791326.db2.gz ONRFHDOVJPMXEB-KDOFPFPSSA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000629516739 460791330 /nfs/dbraw/zinc/79/13/30/460791330.db2.gz ONRFHDOVJPMXEB-KDOFPFPSSA-N 2 2 329.419 3.445 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000629526352 460796128 /nfs/dbraw/zinc/79/61/28/460796128.db2.gz RAZDUTOIKKRZSZ-SOUVJXGZSA-N 2 2 339.277 3.393 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Nc1cccc(F)c1 ZINC000629601248 460824354 /nfs/dbraw/zinc/82/43/54/460824354.db2.gz BHSULJFCWSGYTE-GOSISDBHSA-N 2 2 333.451 3.151 10 0 EGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Nc1cccc(F)c1 ZINC000629601248 460824359 /nfs/dbraw/zinc/82/43/59/460824359.db2.gz BHSULJFCWSGYTE-GOSISDBHSA-N 2 2 333.451 3.151 10 0 EGAELP C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624051449 460836122 /nfs/dbraw/zinc/83/61/22/460836122.db2.gz CXBPRDZFDSNKNB-GFCCVEGCSA-N 2 2 349.360 3.475 10 0 EGAELP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668600 460857484 /nfs/dbraw/zinc/85/74/84/460857484.db2.gz YIJRHDWRZHRZEG-BGYRXZFFSA-N 2 2 342.462 3.060 10 0 EGAELP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668600 460857489 /nfs/dbraw/zinc/85/74/89/460857489.db2.gz YIJRHDWRZHRZEG-BGYRXZFFSA-N 2 2 342.462 3.060 10 0 EGAELP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755581 460900508 /nfs/dbraw/zinc/90/05/08/460900508.db2.gz VBSQHHYCZMFEPE-VXKWHMMOSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755581 460900512 /nfs/dbraw/zinc/90/05/12/460900512.db2.gz VBSQHHYCZMFEPE-VXKWHMMOSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607755581 460900515 /nfs/dbraw/zinc/90/05/15/460900515.db2.gz VBSQHHYCZMFEPE-VXKWHMMOSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607755581 460900517 /nfs/dbraw/zinc/90/05/17/460900517.db2.gz VBSQHHYCZMFEPE-VXKWHMMOSA-N 2 2 340.511 3.432 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000608072936 460977777 /nfs/dbraw/zinc/97/77/77/460977777.db2.gz MRLLUVRLSJGKRK-GOSISDBHSA-N 2 2 331.423 3.141 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)[nH+]1 ZINC000659014514 461138989 /nfs/dbraw/zinc/13/89/89/461138989.db2.gz PXKOXZQHJMGAAL-KRWDZBQOSA-N 2 2 330.476 3.250 10 0 EGAELP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256942 461143665 /nfs/dbraw/zinc/14/36/65/461143665.db2.gz KNTPPDZWXZKQKI-WOJBJXKFSA-N 2 2 328.431 3.225 10 0 EGAELP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000662256942 461143674 /nfs/dbraw/zinc/14/36/74/461143674.db2.gz KNTPPDZWXZKQKI-WOJBJXKFSA-N 2 2 328.431 3.225 10 0 EGAELP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668176039 461160957 /nfs/dbraw/zinc/16/09/57/461160957.db2.gz HFLBGLVCMVESCP-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668176039 461160962 /nfs/dbraw/zinc/16/09/62/461160962.db2.gz HFLBGLVCMVESCP-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000662307932 461180941 /nfs/dbraw/zinc/18/09/41/461180941.db2.gz LPUGIFPVULGEOB-UHFFFAOYSA-N 2 2 344.462 3.462 10 0 EGAELP [NH3+]CC12CC(C1)C[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000662307932 461180950 /nfs/dbraw/zinc/18/09/50/461180950.db2.gz LPUGIFPVULGEOB-UHFFFAOYSA-N 2 2 344.462 3.462 10 0 EGAELP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183056 461293393 /nfs/dbraw/zinc/29/33/93/461293393.db2.gz RWUSKPYFRXUUMO-PXNSSMCTSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183056 461293397 /nfs/dbraw/zinc/29/33/97/461293397.db2.gz RWUSKPYFRXUUMO-PXNSSMCTSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183056 461293404 /nfs/dbraw/zinc/29/34/04/461293404.db2.gz RWUSKPYFRXUUMO-PXNSSMCTSA-N 2 2 328.504 3.132 10 0 EGAELP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(CC2CCC2)n1 ZINC000638183056 461293407 /nfs/dbraw/zinc/29/34/07/461293407.db2.gz RWUSKPYFRXUUMO-PXNSSMCTSA-N 2 2 328.504 3.132 10 0 EGAELP CSc1cc(Br)ccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539834 461320255 /nfs/dbraw/zinc/32/02/55/461320255.db2.gz NRUWGJILLBLGDV-UHFFFAOYSA-N 2 2 329.307 3.164 10 0 EGAELP CSc1cc(Br)ccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539834 461320263 /nfs/dbraw/zinc/32/02/63/461320263.db2.gz NRUWGJILLBLGDV-UHFFFAOYSA-N 2 2 329.307 3.164 10 0 EGAELP c1coc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655698355 461369713 /nfs/dbraw/zinc/36/97/13/461369713.db2.gz VFAJSEKLCAYOGX-AZUAARDMSA-N 2 2 326.440 3.212 10 0 EGAELP COc1cncc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000631064604 461516734 /nfs/dbraw/zinc/51/67/34/461516734.db2.gz LZZKHHZSYCSZDA-QFBILLFUSA-N 2 2 325.456 3.324 10 0 EGAELP COc1cncc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000631064604 461516740 /nfs/dbraw/zinc/51/67/40/461516740.db2.gz LZZKHHZSYCSZDA-QFBILLFUSA-N 2 2 325.456 3.324 10 0 EGAELP CC(C)[N@H+](C)CC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631067851 461518557 /nfs/dbraw/zinc/51/85/57/461518557.db2.gz UBCFXXUOGJGLIV-UHFFFAOYSA-N 2 2 327.476 3.392 10 0 EGAELP CC(C)[N@@H+](C)CC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631067851 461518569 /nfs/dbraw/zinc/51/85/69/461518569.db2.gz UBCFXXUOGJGLIV-UHFFFAOYSA-N 2 2 327.476 3.392 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248886 461589940 /nfs/dbraw/zinc/58/99/40/461589940.db2.gz MDKMSQNONPQHBW-MOPGFXCFSA-N 2 2 348.494 3.491 10 0 EGAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248886 461589954 /nfs/dbraw/zinc/58/99/54/461589954.db2.gz MDKMSQNONPQHBW-MOPGFXCFSA-N 2 2 348.494 3.491 10 0 EGAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149148 461624942 /nfs/dbraw/zinc/62/49/42/461624942.db2.gz WYTMJVGVGOCYOR-IRXDYDNUSA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656149148 461624952 /nfs/dbraw/zinc/62/49/52/461624952.db2.gz WYTMJVGVGOCYOR-IRXDYDNUSA-N 2 2 343.519 3.024 10 0 EGAELP C[N@@H+]1CCC[C@@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@H]21 ZINC000656147364 461625081 /nfs/dbraw/zinc/62/50/81/461625081.db2.gz OEELVZBUTUIPFJ-IAGOWNOFSA-N 2 2 343.519 3.024 10 0 EGAELP C[N@H+]1CCC[C@@H]2CN(c3nc(N4CCCC(C)(C)C4)cc[nH+]3)CC[C@H]21 ZINC000656147364 461625087 /nfs/dbraw/zinc/62/50/87/461625087.db2.gz OEELVZBUTUIPFJ-IAGOWNOFSA-N 2 2 343.519 3.024 10 0 EGAELP COCc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631197145 461637467 /nfs/dbraw/zinc/63/74/67/461637467.db2.gz XTKHLSQZURSQTK-DOTOQJQBSA-N 2 2 345.512 3.147 10 0 EGAELP COCc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631197145 461637472 /nfs/dbraw/zinc/63/74/72/461637472.db2.gz XTKHLSQZURSQTK-DOTOQJQBSA-N 2 2 345.512 3.147 10 0 EGAELP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3cccnc3)C2)cc1 ZINC000656401361 461734937 /nfs/dbraw/zinc/73/49/37/461734937.db2.gz DBRAJWNOXYZZJH-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3cccnc3)C2)cc1 ZINC000656401361 461734942 /nfs/dbraw/zinc/73/49/42/461734942.db2.gz DBRAJWNOXYZZJH-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](Cc3cccnc3)C2)cc1 ZINC000656401361 461734952 /nfs/dbraw/zinc/73/49/52/461734952.db2.gz DBRAJWNOXYZZJH-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](Cc3cccnc3)C2)cc1 ZINC000656401361 461734956 /nfs/dbraw/zinc/73/49/56/461734956.db2.gz DBRAJWNOXYZZJH-CMOCDZPBSA-N 2 2 333.479 3.424 10 0 EGAELP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647498916 461739595 /nfs/dbraw/zinc/73/95/95/461739595.db2.gz UDDRUHNVTSBHCV-BXUZGUMPSA-N 2 2 327.266 3.017 10 0 EGAELP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647498916 461739603 /nfs/dbraw/zinc/73/96/03/461739603.db2.gz UDDRUHNVTSBHCV-BXUZGUMPSA-N 2 2 327.266 3.017 10 0 EGAELP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647554016 461764236 /nfs/dbraw/zinc/76/42/36/461764236.db2.gz PAAMFXRFBLSQJH-CQSZACIVSA-N 2 2 327.241 3.353 10 0 EGAELP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475001 461801490 /nfs/dbraw/zinc/80/14/90/461801490.db2.gz PELBOKPRSYEFAQ-MRXNPFEDSA-N 2 2 338.442 3.084 10 0 EGAELP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475001 461801493 /nfs/dbraw/zinc/80/14/93/461801493.db2.gz PELBOKPRSYEFAQ-MRXNPFEDSA-N 2 2 338.442 3.084 10 0 EGAELP C[N@H+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542501 461843141 /nfs/dbraw/zinc/84/31/41/461843141.db2.gz RYZBSXPSTLMWKK-PBWFPOADSA-N 2 2 328.378 3.484 10 0 EGAELP C[N@@H+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542501 461843145 /nfs/dbraw/zinc/84/31/45/461843145.db2.gz RYZBSXPSTLMWKK-PBWFPOADSA-N 2 2 328.378 3.484 10 0 EGAELP C[NH+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542501 461843146 /nfs/dbraw/zinc/84/31/46/461843146.db2.gz RYZBSXPSTLMWKK-PBWFPOADSA-N 2 2 328.378 3.484 10 0 EGAELP C[NH+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542501 461843150 /nfs/dbraw/zinc/84/31/50/461843150.db2.gz RYZBSXPSTLMWKK-PBWFPOADSA-N 2 2 328.378 3.484 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000656701816 461847119 /nfs/dbraw/zinc/84/71/19/461847119.db2.gz CTQRRYDMHMIGPR-QZTJIDSGSA-N 2 2 342.483 3.042 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000656701816 461847125 /nfs/dbraw/zinc/84/71/25/461847125.db2.gz CTQRRYDMHMIGPR-QZTJIDSGSA-N 2 2 342.483 3.042 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@]3(C)CC3(F)F)c2cc1C ZINC000656714534 461855372 /nfs/dbraw/zinc/85/53/72/461855372.db2.gz IVLFDQRUNGKIKM-WMLDXEAASA-N 2 2 337.414 3.039 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902741 461878216 /nfs/dbraw/zinc/87/82/16/461878216.db2.gz BPQXYLKPZVVRHK-AEFFLSMTSA-N 2 2 341.455 3.314 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000647902741 461878220 /nfs/dbraw/zinc/87/82/20/461878220.db2.gz BPQXYLKPZVVRHK-AEFFLSMTSA-N 2 2 341.455 3.314 10 0 EGAELP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789269 461900066 /nfs/dbraw/zinc/90/00/66/461900066.db2.gz VJVRQICLNWCIGI-FGZHOGPDSA-N 2 2 346.478 3.167 10 0 EGAELP CN1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000657418690 462110530 /nfs/dbraw/zinc/11/05/30/462110530.db2.gz RDWVUEGHWZQQIS-SJLPKXTDSA-N 2 2 330.863 3.018 10 0 EGAELP C[NH+]1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000657642087 462214444 /nfs/dbraw/zinc/21/44/44/462214444.db2.gz SUBWRMGQEFVSPO-OAHLLOKOSA-N 2 2 341.318 3.421 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000648890066 462319525 /nfs/dbraw/zinc/31/95/25/462319525.db2.gz BTDXEYNYTBOUFU-HOTGVXAUSA-N 2 2 343.475 3.367 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053497 462358424 /nfs/dbraw/zinc/35/84/24/462358424.db2.gz BJSZOWCNVKCAAU-SJLPKXTDSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053497 462358431 /nfs/dbraw/zinc/35/84/31/462358431.db2.gz BJSZOWCNVKCAAU-SJLPKXTDSA-N 3 2 333.520 3.150 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000658053434 462358591 /nfs/dbraw/zinc/35/85/91/462358591.db2.gz AQWBRAURHUGXMS-NVXWUHKLSA-N 2 2 331.504 3.483 10 0 EGAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000658053434 462358598 /nfs/dbraw/zinc/35/85/98/462358598.db2.gz AQWBRAURHUGXMS-NVXWUHKLSA-N 2 2 331.504 3.483 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057636 462361254 /nfs/dbraw/zinc/36/12/54/462361254.db2.gz PMFFAFLQCLIGQB-UKRRQHHQSA-N 2 2 329.488 3.440 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658057636 462361261 /nfs/dbraw/zinc/36/12/61/462361261.db2.gz PMFFAFLQCLIGQB-UKRRQHHQSA-N 2 2 329.488 3.440 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000665255697 462371603 /nfs/dbraw/zinc/37/16/03/462371603.db2.gz ZODDOXDEBQSZBT-FDPIWHGQSA-N 2 2 340.471 3.023 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000654828362 462394166 /nfs/dbraw/zinc/39/41/66/462394166.db2.gz AMAMQRPWMQEVDC-KRWDZBQOSA-N 2 2 348.878 3.112 10 0 EGAELP Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668105370 462422919 /nfs/dbraw/zinc/42/29/19/462422919.db2.gz XHEMLHLNEFBGAG-INIZCTEOSA-N 2 2 339.487 3.210 10 0 EGAELP Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000668105370 462422924 /nfs/dbraw/zinc/42/29/24/462422924.db2.gz XHEMLHLNEFBGAG-INIZCTEOSA-N 2 2 339.487 3.210 10 0 EGAELP c1ccc(O[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000658192130 462424053 /nfs/dbraw/zinc/42/40/53/462424053.db2.gz XJSCNCSYHHIAGN-XUTJKUGGSA-N 2 2 337.467 3.246 10 0 EGAELP C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+]1CCOCC1 ZINC000652153220 462453839 /nfs/dbraw/zinc/45/38/39/462453839.db2.gz DHJNLYHZTPGXJW-FXAWDEMLSA-N 2 2 331.504 3.261 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203384 462470949 /nfs/dbraw/zinc/47/09/49/462470949.db2.gz JZUXIZCBUQJCCY-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652203384 462470954 /nfs/dbraw/zinc/47/09/54/462470954.db2.gz JZUXIZCBUQJCCY-UXHICEINSA-N 2 2 331.504 3.139 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@H+](CCc1cc(Cl)ccc1Cl)CCO2 ZINC000646105649 462518855 /nfs/dbraw/zinc/51/88/55/462518855.db2.gz AYHSPBTZVLODDN-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cc(Cl)ccc1Cl)CCO2 ZINC000646105649 462518858 /nfs/dbraw/zinc/51/88/58/462518858.db2.gz AYHSPBTZVLODDN-UHFFFAOYSA-N 2 2 343.298 3.333 10 0 EGAELP CCc1cc(NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(C)[nH+]1 ZINC000624527204 469967886 /nfs/dbraw/zinc/96/78/86/469967886.db2.gz MQJJWSAZBNPTQV-QGZVFWFLSA-N 2 2 326.444 3.042 10 0 EGAELP CCc1cc(NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(C)[nH+]1 ZINC000624527204 469967889 /nfs/dbraw/zinc/96/78/89/469967889.db2.gz MQJJWSAZBNPTQV-QGZVFWFLSA-N 2 2 326.444 3.042 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000178324818 534781696 /nfs/dbraw/zinc/78/16/96/534781696.db2.gz NPIAPIIUWICMEN-HNNXBMFYSA-N 2 2 335.249 3.014 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cn1 ZINC000178324818 534781703 /nfs/dbraw/zinc/78/17/03/534781703.db2.gz NPIAPIIUWICMEN-HNNXBMFYSA-N 2 2 335.249 3.014 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780844 527834511 /nfs/dbraw/zinc/83/45/11/527834511.db2.gz CZALYQBCNHFRBP-DOMZBBRYSA-N 2 2 326.282 3.006 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780844 527834514 /nfs/dbraw/zinc/83/45/14/527834514.db2.gz CZALYQBCNHFRBP-DOMZBBRYSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780844 527834522 /nfs/dbraw/zinc/83/45/22/527834522.db2.gz CZALYQBCNHFRBP-DOMZBBRYSA-N 2 2 326.282 3.006 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cn2)[C@H](C)C1 ZINC000174780844 527834526 /nfs/dbraw/zinc/83/45/26/527834526.db2.gz CZALYQBCNHFRBP-DOMZBBRYSA-N 2 2 326.282 3.006 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178322904 529155711 /nfs/dbraw/zinc/15/57/11/529155711.db2.gz RJFUNGZBMWWDAR-GOSISDBHSA-N 2 2 340.471 3.165 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178322904 529155714 /nfs/dbraw/zinc/15/57/14/529155714.db2.gz RJFUNGZBMWWDAR-GOSISDBHSA-N 2 2 340.471 3.165 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246674148 535714776 /nfs/dbraw/zinc/71/47/76/535714776.db2.gz AVYBDIFAFWSKJJ-HNNXBMFYSA-N 2 2 339.439 3.004 10 0 EGAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246674148 535714781 /nfs/dbraw/zinc/71/47/81/535714781.db2.gz AVYBDIFAFWSKJJ-HNNXBMFYSA-N 2 2 339.439 3.004 10 0 EGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246513115 535950763 /nfs/dbraw/zinc/95/07/63/535950763.db2.gz IKJWDMWFYVWEDP-FXAWDEMLSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246513115 535950770 /nfs/dbraw/zinc/95/07/70/535950770.db2.gz IKJWDMWFYVWEDP-FXAWDEMLSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246513115 535950775 /nfs/dbraw/zinc/95/07/75/535950775.db2.gz IKJWDMWFYVWEDP-FXAWDEMLSA-N 2 2 341.499 3.136 10 0 EGAELP CCc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246513115 535950779 /nfs/dbraw/zinc/95/07/79/535950779.db2.gz IKJWDMWFYVWEDP-FXAWDEMLSA-N 2 2 341.499 3.136 10 0 EGAELP COc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000192439261 536947986 /nfs/dbraw/zinc/94/79/86/536947986.db2.gz SIPJZMILWFBUMC-SFHVURJKSA-N 2 2 337.467 3.206 10 0 EGAELP C[NH+](C)C1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000182676944 547083398 /nfs/dbraw/zinc/08/33/98/547083398.db2.gz JAOIRLGLSPSVMZ-UHFFFAOYSA-N 2 2 338.879 3.070 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC(C)C ZINC000188399666 547147571 /nfs/dbraw/zinc/14/75/71/547147571.db2.gz UBUKEYYFMKNBJN-QGZVFWFLSA-N 2 2 329.444 3.344 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1OC(C)C ZINC000188399666 547147574 /nfs/dbraw/zinc/14/75/74/547147574.db2.gz UBUKEYYFMKNBJN-QGZVFWFLSA-N 2 2 329.444 3.344 10 0 EGAELP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245598570 547266449 /nfs/dbraw/zinc/26/64/49/547266449.db2.gz OCCVBSDQDNAMLE-KEYYUXOJSA-N 2 2 326.843 3.241 10 0 EGAELP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245598570 547266450 /nfs/dbraw/zinc/26/64/50/547266450.db2.gz OCCVBSDQDNAMLE-KEYYUXOJSA-N 2 2 326.843 3.241 10 0 EGAELP Cc1cc(Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)nc(C)[nH+]1 ZINC000436438513 547904227 /nfs/dbraw/zinc/90/42/27/547904227.db2.gz IILKLWKPMRBREO-GJZGRUSLSA-N 2 2 326.444 3.446 10 0 EGAELP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881175 548996856 /nfs/dbraw/zinc/99/68/56/548996856.db2.gz KGKRMYIZIWYYOL-QAPCUYQASA-N 2 2 348.535 3.241 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000679997929 549803836 /nfs/dbraw/zinc/80/38/36/549803836.db2.gz NHKQINGUCDCVKX-IBGZPJMESA-N 3 2 326.488 3.166 10 0 EGAELP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997929 549803839 /nfs/dbraw/zinc/80/38/39/549803839.db2.gz NHKQINGUCDCVKX-IBGZPJMESA-N 2 2 326.488 3.166 10 0 EGAELP c1cn(-c2csc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)c2)c[nH+]1 ZINC000680328489 549849803 /nfs/dbraw/zinc/84/98/03/549849803.db2.gz HAWGRSGMOWJMLH-UHFFFAOYSA-N 2 2 335.436 3.410 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379509 550322016 /nfs/dbraw/zinc/32/20/16/550322016.db2.gz STTHDHYUNOZFKJ-MSOLQXFVSA-N 2 2 338.536 3.347 10 0 EGAELP CO[C@H]1CCC[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000684379509 550322019 /nfs/dbraw/zinc/32/20/19/550322019.db2.gz STTHDHYUNOZFKJ-MSOLQXFVSA-N 2 2 338.536 3.347 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738335480 576315174 /nfs/dbraw/zinc/31/51/74/576315174.db2.gz QOSZFDWGGTUZNO-MOPGFXCFSA-N 2 2 337.552 3.412 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738335480 576315176 /nfs/dbraw/zinc/31/51/76/576315176.db2.gz QOSZFDWGGTUZNO-MOPGFXCFSA-N 2 2 337.552 3.412 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC(C)C ZINC000067693892 1292168978 /nfs/dbraw/zinc/16/89/78/1292168978.db2.gz HJKSKPHDLPCFGR-QZTJIDSGSA-N 2 2 332.488 3.446 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC(C)C ZINC000067693892 1292168981 /nfs/dbraw/zinc/16/89/81/1292168981.db2.gz HJKSKPHDLPCFGR-QZTJIDSGSA-N 2 2 332.488 3.446 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000245874294 1296327695 /nfs/dbraw/zinc/32/76/95/1296327695.db2.gz XLGMFLFKKYVKLX-FXAWDEMLSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000245874294 1296327708 /nfs/dbraw/zinc/32/77/08/1296327708.db2.gz XLGMFLFKKYVKLX-FXAWDEMLSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000245874300 1296328511 /nfs/dbraw/zinc/32/85/11/1296328511.db2.gz XLGMFLFKKYVKLX-PXNSSMCTSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000245874300 1296328527 /nfs/dbraw/zinc/32/85/27/1296328527.db2.gz XLGMFLFKKYVKLX-PXNSSMCTSA-N 2 2 334.479 3.447 10 0 EGAELP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CCCOC1 ZINC000872056239 1296703691 /nfs/dbraw/zinc/70/36/91/1296703691.db2.gz PHXVSFRSJYLWAC-VQIMIIECSA-N 2 2 346.519 3.229 10 0 EGAELP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000872089162 1296727616 /nfs/dbraw/zinc/72/76/16/1296727616.db2.gz UDZIGHUMPVSJAE-NHCUHLMSSA-N 2 2 328.500 3.167 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151855 1296769723 /nfs/dbraw/zinc/76/97/23/1296769723.db2.gz YFRTUUSIOKUQOV-PWSUYJOCSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151855 1296769731 /nfs/dbraw/zinc/76/97/31/1296769731.db2.gz YFRTUUSIOKUQOV-PWSUYJOCSA-N 2 2 342.283 3.154 10 0 EGAELP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000381156248 1297552082 /nfs/dbraw/zinc/55/20/82/1297552082.db2.gz OBTCVWIFIQULTH-HXUWFJFHSA-N 2 2 342.483 3.058 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000878491782 1300033057 /nfs/dbraw/zinc/03/30/57/1300033057.db2.gz SRIPGEIWGFQIAI-ZHALLVOQSA-N 2 2 345.531 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000878491782 1300033068 /nfs/dbraw/zinc/03/30/68/1300033068.db2.gz SRIPGEIWGFQIAI-ZHALLVOQSA-N 2 2 345.531 3.475 10 0 EGAELP COc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052208 1306192596 /nfs/dbraw/zinc/19/25/96/1306192596.db2.gz BICRWZANULAYOB-KRWDZBQOSA-N 2 2 332.488 3.320 10 0 EGAELP COc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052208 1306192600 /nfs/dbraw/zinc/19/26/00/1306192600.db2.gz BICRWZANULAYOB-KRWDZBQOSA-N 2 2 332.488 3.320 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000894312977 1306338204 /nfs/dbraw/zinc/33/82/04/1306338204.db2.gz PGEHBDPNIMQWDJ-SMDDNHRTSA-N 2 2 344.377 3.064 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000894312977 1306338212 /nfs/dbraw/zinc/33/82/12/1306338212.db2.gz PGEHBDPNIMQWDJ-SMDDNHRTSA-N 2 2 344.377 3.064 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2ccc3c(c2)OCCO3)c2cccc[nH+]2)CC1 ZINC000895111448 1309195357 /nfs/dbraw/zinc/19/53/57/1309195357.db2.gz PGUIAVBJJVBIDY-QAQDUYKDSA-N 2 2 339.439 3.129 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000895112884 1309196187 /nfs/dbraw/zinc/19/61/87/1309196187.db2.gz TZWZLYVDMOBJPV-TUVASFSCSA-N 2 2 343.393 3.268 10 0 EGAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250526 1310245665 /nfs/dbraw/zinc/24/56/65/1310245665.db2.gz JQBPHMFJZRCDFS-GVDBMIGSSA-N 2 2 349.906 3.074 10 0 EGAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250526 1310245669 /nfs/dbraw/zinc/24/56/69/1310245669.db2.gz JQBPHMFJZRCDFS-GVDBMIGSSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250526 1310245677 /nfs/dbraw/zinc/24/56/77/1310245677.db2.gz JQBPHMFJZRCDFS-GVDBMIGSSA-N 2 2 349.906 3.074 10 0 EGAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000897250526 1310245683 /nfs/dbraw/zinc/24/56/83/1310245683.db2.gz JQBPHMFJZRCDFS-GVDBMIGSSA-N 2 2 349.906 3.074 10 0 EGAELP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)c(Br)cc1F ZINC000858086719 1328678454 /nfs/dbraw/zinc/67/84/54/1328678454.db2.gz MRNCWJDREAYNHS-UHFFFAOYSA-N 2 2 326.213 3.273 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2c3c(nn2C)CCC3)c(C)c1 ZINC000921919845 1322423292 /nfs/dbraw/zinc/42/32/92/1322423292.db2.gz CEVWGELNPGZYBP-HXUWFJFHSA-N 2 2 349.482 3.253 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000922967092 1322665221 /nfs/dbraw/zinc/66/52/21/1322665221.db2.gz DLFSDSAYXOFKAK-OAHLLOKOSA-N 2 2 334.426 3.485 10 0 EGAELP Cc1[nH]c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931185284 1329068030 /nfs/dbraw/zinc/06/80/30/1329068030.db2.gz LFPDAAPHUNMOAN-HNNXBMFYSA-N 2 2 334.464 3.048 10 0 EGAELP Brc1cnc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000924730236 1323137035 /nfs/dbraw/zinc/13/70/35/1323137035.db2.gz DCRXLEAVRPCADY-HNNXBMFYSA-N 2 2 349.276 3.488 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925084791 1323273077 /nfs/dbraw/zinc/27/30/77/1323273077.db2.gz XJVGQBDWSXRPQG-XUVXKRRUSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925084791 1323273086 /nfs/dbraw/zinc/27/30/86/1323273086.db2.gz XJVGQBDWSXRPQG-XUVXKRRUSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925089125 1323276473 /nfs/dbraw/zinc/27/64/73/1323276473.db2.gz NKCPKBKIOKHUDS-XUVXKRRUSA-N 2 2 332.488 3.114 10 0 EGAELP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925089125 1323276481 /nfs/dbraw/zinc/27/64/81/1323276481.db2.gz NKCPKBKIOKHUDS-XUVXKRRUSA-N 2 2 332.488 3.114 10 0 EGAELP O=C(Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1)c1ccco1 ZINC000925494448 1325176886 /nfs/dbraw/zinc/17/68/86/1325176886.db2.gz UMORBIDQRPSVLB-GOSISDBHSA-N 2 2 339.439 3.296 10 0 EGAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925561676 1325211113 /nfs/dbraw/zinc/21/11/13/1325211113.db2.gz RWSDWCISKWJJKK-KZNAEPCWSA-N 2 2 349.906 3.080 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000925590910 1325223949 /nfs/dbraw/zinc/22/39/49/1325223949.db2.gz LUZFGKRLFXFMAW-IIBYNOLFSA-N 2 2 343.515 3.402 10 0 EGAELP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC(C)C ZINC000925644172 1325244851 /nfs/dbraw/zinc/24/48/51/1325244851.db2.gz YTAJKGAMXVUAQT-MOPGFXCFSA-N 2 2 332.488 3.426 10 0 EGAELP c1ccc(N2CCC([NH2+]CCCCCC3CC[NH2+]CC3)CC2)[nH+]c1 ZINC000925818356 1325316579 /nfs/dbraw/zinc/31/65/79/1325316579.db2.gz VFFBANCLYZFRRI-UHFFFAOYSA-N 3 2 330.520 3.200 10 0 EGAELP CC[C@H](C[C@](C)(O)CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905975 1325352842 /nfs/dbraw/zinc/35/28/42/1325352842.db2.gz MTDBDTNRIIKHLT-OXQOHEQNSA-N 2 2 348.535 3.354 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225931 1325481437 /nfs/dbraw/zinc/48/14/37/1325481437.db2.gz ZMEGVCDSSURJQP-UZLBHIALSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225931 1325481444 /nfs/dbraw/zinc/48/14/44/1325481444.db2.gz ZMEGVCDSSURJQP-UZLBHIALSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286624 1325505069 /nfs/dbraw/zinc/50/50/69/1325505069.db2.gz IQOSNMMHUPSEAR-PBHICJAKSA-N 2 2 337.895 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CCCO1 ZINC000926286624 1325505077 /nfs/dbraw/zinc/50/50/77/1325505077.db2.gz IQOSNMMHUPSEAR-PBHICJAKSA-N 2 2 337.895 3.203 10 0 EGAELP CCO[C@H](C[NH2+][C@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000926957403 1327796588 /nfs/dbraw/zinc/79/65/88/1327796588.db2.gz BEJSVAPQYQWWEC-PWSUYJOCSA-N 2 2 347.322 3.054 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000926963513 1327800146 /nfs/dbraw/zinc/80/01/46/1327800146.db2.gz UTQBRMFPSJVJBG-CMPLNLGQSA-N 2 2 335.311 3.128 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+](C)C ZINC000926962810 1327800819 /nfs/dbraw/zinc/80/08/19/1327800819.db2.gz NCIXZPHCFUPXNO-JQWIXIFHSA-N 2 2 334.291 3.193 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703307 1330142237 /nfs/dbraw/zinc/14/22/37/1330142237.db2.gz KUEDQWQBPWOXPY-HXUWFJFHSA-N 2 2 332.488 3.485 10 0 EGAELP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703307 1330142239 /nfs/dbraw/zinc/14/22/39/1330142239.db2.gz KUEDQWQBPWOXPY-HXUWFJFHSA-N 2 2 332.488 3.485 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705908 1330143067 /nfs/dbraw/zinc/14/30/67/1330143067.db2.gz JGXKCVAPPNQGGG-QRWLVFNGSA-N 2 2 342.487 3.418 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705908 1330143070 /nfs/dbraw/zinc/14/30/70/1330143070.db2.gz JGXKCVAPPNQGGG-QRWLVFNGSA-N 2 2 342.487 3.418 10 0 EGAELP CC/C=C(\F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866958840 1330160935 /nfs/dbraw/zinc/16/09/35/1330160935.db2.gz WHNRMWMBGUPUMV-OLEITNIESA-N 2 2 339.499 3.045 10 0 EGAELP CC/C=C(\F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866958840 1330160936 /nfs/dbraw/zinc/16/09/36/1330160936.db2.gz WHNRMWMBGUPUMV-OLEITNIESA-N 2 2 339.499 3.045 10 0 EGAELP CCOc1ccccc1OCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001196684092 1368661559 /nfs/dbraw/zinc/66/15/59/1368661559.db2.gz KRXPDJODKNVGGY-UHFFFAOYSA-N 2 2 332.488 3.414 10 0 EGAELP CC[C@@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001326489659 1388214441 /nfs/dbraw/zinc/21/44/41/1388214441.db2.gz CIWUJHZJQJWQRN-OAHLLOKOSA-N 2 2 342.487 3.055 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001326489659 1388214445 /nfs/dbraw/zinc/21/44/45/1388214445.db2.gz CIWUJHZJQJWQRN-OAHLLOKOSA-N 2 2 342.487 3.055 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001326555484 1388238400 /nfs/dbraw/zinc/23/84/00/1388238400.db2.gz SXJXACPFEOUCOE-IYARVYRRSA-N 2 2 346.519 3.106 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156507 1388410919 /nfs/dbraw/zinc/41/09/19/1388410919.db2.gz MAZBWNOXEGHBRL-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001327156507 1388410924 /nfs/dbraw/zinc/41/09/24/1388410924.db2.gz MAZBWNOXEGHBRL-IRXDYDNUSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)n1cc[nH+]c1 ZINC001136405266 1377389808 /nfs/dbraw/zinc/38/98/08/1377389808.db2.gz OUEFTENCHYSGFH-KZNAEPCWSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001272273112 1377664563 /nfs/dbraw/zinc/66/45/63/1377664563.db2.gz XHFZEOPLDADTCQ-RDJZCZTQSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001272273112 1377664567 /nfs/dbraw/zinc/66/45/67/1377664567.db2.gz XHFZEOPLDADTCQ-RDJZCZTQSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001278272859 1378265737 /nfs/dbraw/zinc/26/57/37/1378265737.db2.gz FOBLXMABTBLQTK-GOEBONIOSA-N 2 2 328.460 3.192 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281839638 1378455253 /nfs/dbraw/zinc/45/52/53/1378455253.db2.gz AXSAZFWDSLAJAU-QGZVFWFLSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281839638 1378455256 /nfs/dbraw/zinc/45/52/56/1378455256.db2.gz AXSAZFWDSLAJAU-QGZVFWFLSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281839638 1378455260 /nfs/dbraw/zinc/45/52/60/1378455260.db2.gz AXSAZFWDSLAJAU-QGZVFWFLSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281839638 1378455262 /nfs/dbraw/zinc/45/52/62/1378455262.db2.gz AXSAZFWDSLAJAU-QGZVFWFLSA-N 2 2 346.519 3.115 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677973 1378548888 /nfs/dbraw/zinc/54/88/88/1378548888.db2.gz LJSGZCOGJPBALN-WMZOPIPTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677973 1378548891 /nfs/dbraw/zinc/54/88/91/1378548891.db2.gz LJSGZCOGJPBALN-WMZOPIPTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001282677973 1378548894 /nfs/dbraw/zinc/54/88/94/1378548894.db2.gz LJSGZCOGJPBALN-WMZOPIPTSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001282677973 1378548897 /nfs/dbraw/zinc/54/88/97/1378548897.db2.gz LJSGZCOGJPBALN-WMZOPIPTSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCCCCC1 ZINC001283463402 1378961191 /nfs/dbraw/zinc/96/11/91/1378961191.db2.gz QZMJGZGAIJOHQA-QGZVFWFLSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284967719 1380332234 /nfs/dbraw/zinc/33/22/34/1380332234.db2.gz RUADTZMXANTKTM-IAGOWNOFSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284967719 1380332237 /nfs/dbraw/zinc/33/22/37/1380332237.db2.gz RUADTZMXANTKTM-IAGOWNOFSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284967719 1380332242 /nfs/dbraw/zinc/33/22/42/1380332242.db2.gz RUADTZMXANTKTM-IAGOWNOFSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284967719 1380332246 /nfs/dbraw/zinc/33/22/46/1380332246.db2.gz RUADTZMXANTKTM-IAGOWNOFSA-N 2 2 346.519 3.019 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC001308167920 1384104686 /nfs/dbraw/zinc/10/46/86/1384104686.db2.gz YJZQQHCDTHCNKN-UHFFFAOYSA-N 2 2 346.862 3.282 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001329033558 1388939597 /nfs/dbraw/zinc/93/95/97/1388939597.db2.gz IEUYVPQSJBXSPF-HUUCEWRRSA-N 2 2 330.476 3.175 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001329071992 1388955261 /nfs/dbraw/zinc/95/52/61/1388955261.db2.gz XNHZZQNRLDFKSS-IAGOWNOFSA-N 2 2 348.535 3.380 10 0 EGAELP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317354020 1385101652 /nfs/dbraw/zinc/10/16/52/1385101652.db2.gz BCQWQKOHDAJMGR-MSOLQXFVSA-N 2 2 347.503 3.086 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317526456 1385247340 /nfs/dbraw/zinc/24/73/40/1385247340.db2.gz KDABMWHFZWDPDB-DWTRPJMMSA-N 2 2 340.471 3.361 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317526456 1385247345 /nfs/dbraw/zinc/24/73/45/1385247345.db2.gz KDABMWHFZWDPDB-DWTRPJMMSA-N 2 2 340.471 3.361 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001317844763 1385529935 /nfs/dbraw/zinc/52/99/35/1385529935.db2.gz DCQWKJVRHGTINL-SFHVURJKSA-N 2 2 331.504 3.447 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001317844763 1385529940 /nfs/dbraw/zinc/52/99/40/1385529940.db2.gz DCQWKJVRHGTINL-SFHVURJKSA-N 2 2 331.504 3.447 10 0 EGAELP CCCCCC[N@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317883370 1385562443 /nfs/dbraw/zinc/56/24/43/1385562443.db2.gz ANJIVVBMOXSRCY-UHFFFAOYSA-N 2 2 334.508 3.011 10 0 EGAELP CCCCCC[N@@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317883370 1385562446 /nfs/dbraw/zinc/56/24/46/1385562446.db2.gz ANJIVVBMOXSRCY-UHFFFAOYSA-N 2 2 334.508 3.011 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317936533 1385576974 /nfs/dbraw/zinc/57/69/74/1385576974.db2.gz WDBDUTLASSZCQU-QDLOVBKTSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317936533 1385576976 /nfs/dbraw/zinc/57/69/76/1385576976.db2.gz WDBDUTLASSZCQU-QDLOVBKTSA-N 2 2 326.444 3.113 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485298 1385717840 /nfs/dbraw/zinc/71/78/40/1385717840.db2.gz QGTCUOZNNJYHSQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485298 1385717844 /nfs/dbraw/zinc/71/78/44/1385717844.db2.gz QGTCUOZNNJYHSQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485298 1385717847 /nfs/dbraw/zinc/71/78/47/1385717847.db2.gz QGTCUOZNNJYHSQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485298 1385717851 /nfs/dbraw/zinc/71/78/51/1385717851.db2.gz QGTCUOZNNJYHSQ-SJLPKXTDSA-N 2 2 348.535 3.337 10 0 EGAELP C[C@H](CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1)n1cc[nH+]c1 ZINC001318655597 1385820261 /nfs/dbraw/zinc/82/02/61/1385820261.db2.gz GGHLSDBITHMKLY-MRXNPFEDSA-N 2 2 334.508 3.289 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319135622 1385971662 /nfs/dbraw/zinc/97/16/62/1385971662.db2.gz WMUILEVHYDGHDX-QGZVFWFLSA-N 2 2 334.508 3.070 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001319475889 1386137517 /nfs/dbraw/zinc/13/75/17/1386137517.db2.gz MIEHBOBPELMSQM-IAGOWNOFSA-N 2 2 336.524 3.343 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320148202 1386535742 /nfs/dbraw/zinc/53/57/42/1386535742.db2.gz AVXNEANOAJGJEC-PKOBYXMFSA-N 2 2 340.471 3.161 10 0 EGAELP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001321921164 1387011112 /nfs/dbraw/zinc/01/11/12/1387011112.db2.gz VIKIIWWEQUNNDF-HQWZXOHUSA-N 2 2 348.450 3.146 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001698690796 1406336313 /nfs/dbraw/zinc/33/63/13/1406336313.db2.gz LRUMVWFJSUSQGF-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001322511359 1387198153 /nfs/dbraw/zinc/19/81/53/1387198153.db2.gz FOCBRZWIWXXFOD-INIZCTEOSA-N 2 2 344.503 3.377 10 0 EGAELP COc1cccc2c1[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC2 ZINC001330362481 1389398891 /nfs/dbraw/zinc/39/88/91/1389398891.db2.gz NNYMJNCSJSNJMP-HNNXBMFYSA-N 2 2 348.406 3.253 10 0 EGAELP CC(C)(C)[C@@H](C[NH2+]CCCCCF)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332825019 1390195077 /nfs/dbraw/zinc/19/50/77/1390195077.db2.gz KZOFECZNOAVWBD-QGZVFWFLSA-N 2 2 348.466 3.437 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC001334388946 1390530293 /nfs/dbraw/zinc/53/02/93/1390530293.db2.gz FVYVEHLARHNRQJ-XLIONFOSSA-N 2 2 329.488 3.056 10 0 EGAELP CC(C)(COC(=O)c1cccc(C[NH+]2CCCC2)c1)n1cc[nH+]c1 ZINC001349020397 1391296924 /nfs/dbraw/zinc/29/69/24/1391296924.db2.gz GXERJHOMHSRWJP-UHFFFAOYSA-N 2 2 327.428 3.071 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001698830254 1406523423 /nfs/dbraw/zinc/52/34/23/1406523423.db2.gz CNHZIWPDUZZQAF-KRWDZBQOSA-N 2 2 348.535 3.334 10 0 EGAELP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001698849957 1406551797 /nfs/dbraw/zinc/55/17/97/1406551797.db2.gz ACVIZRVDJUHSCF-SJORKVTESA-N 2 2 342.487 3.033 10 0 EGAELP Cc1cc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001479799929 1392398651 /nfs/dbraw/zinc/39/86/51/1392398651.db2.gz OKXMUQMDEJMKLH-AWEZNQCLSA-N 2 2 348.516 3.151 10 0 EGAELP Cc1cc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001479799929 1392398656 /nfs/dbraw/zinc/39/86/56/1392398656.db2.gz OKXMUQMDEJMKLH-AWEZNQCLSA-N 2 2 348.516 3.151 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479830833 1392417279 /nfs/dbraw/zinc/41/72/79/1392417279.db2.gz FGBBTJGAWFAIEM-WMZOPIPTSA-N 2 2 346.519 3.282 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189624 1392619074 /nfs/dbraw/zinc/61/90/74/1392619074.db2.gz PYQBDHCDKDMAFA-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480189624 1392619075 /nfs/dbraw/zinc/61/90/75/1392619075.db2.gz PYQBDHCDKDMAFA-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481093384 1393117885 /nfs/dbraw/zinc/11/78/85/1393117885.db2.gz XMNKIWBZEOPUHH-LAQIPUCWSA-N 2 2 340.471 3.051 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481093384 1393117886 /nfs/dbraw/zinc/11/78/86/1393117886.db2.gz XMNKIWBZEOPUHH-LAQIPUCWSA-N 2 2 340.471 3.051 10 0 EGAELP CCCC[NH2+][C@H](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001481333954 1393165881 /nfs/dbraw/zinc/16/58/81/1393165881.db2.gz LCESNWVGVLCWJZ-MRXNPFEDSA-N 2 2 342.487 3.273 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001698917428 1406652030 /nfs/dbraw/zinc/65/20/30/1406652030.db2.gz OFENFPPBQBLRMV-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001698917428 1406652037 /nfs/dbraw/zinc/65/20/37/1406652037.db2.gz OFENFPPBQBLRMV-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)CC(C[N@@H+]2CCCC[C@H]2CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001491237048 1394489272 /nfs/dbraw/zinc/48/92/72/1394489272.db2.gz DVRJEDWYTDQUAI-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC1(C)CC(C[N@H+]2CCCC[C@H]2CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001491237048 1394489275 /nfs/dbraw/zinc/48/92/75/1394489275.db2.gz DVRJEDWYTDQUAI-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1C[NH2+]CCCCCF ZINC001491254804 1394493493 /nfs/dbraw/zinc/49/34/93/1394493493.db2.gz ZHYYTSYGXCSJDT-MRXNPFEDSA-N 2 2 346.450 3.058 10 0 EGAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CC1CC(C)(C)C1 ZINC001481812894 1394542012 /nfs/dbraw/zinc/54/20/12/1394542012.db2.gz VLEFEHWDHFLHHR-KRWDZBQOSA-N 2 2 342.487 3.177 10 0 EGAELP CC(C)CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001481961527 1394622721 /nfs/dbraw/zinc/62/27/21/1394622721.db2.gz NJKNESGYJKESOQ-VQIMIIECSA-N 2 2 334.508 3.043 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001482423720 1394985473 /nfs/dbraw/zinc/98/54/73/1394985473.db2.gz MFASZJYJJFXWMR-WMZOPIPTSA-N 2 2 347.503 3.040 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001483916025 1395143442 /nfs/dbraw/zinc/14/34/42/1395143442.db2.gz KMHKKPAXMFAPRK-IAGOWNOFSA-N 2 2 348.535 3.148 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214238 1395709662 /nfs/dbraw/zinc/70/96/62/1395709662.db2.gz DQDIFJUHRCPRMG-CABCVRRESA-N 2 2 334.508 3.104 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486085738 1396176316 /nfs/dbraw/zinc/17/63/16/1396176316.db2.gz WARDLBIVFAOBBD-WIJLQKJISA-N 2 2 326.444 3.112 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001491875449 1396298999 /nfs/dbraw/zinc/29/89/99/1396298999.db2.gz AKRBKHQHCQATDA-MSOLQXFVSA-N 2 2 347.503 3.086 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](CCCC(C)C)C3)ccn12 ZINC001494826027 1396497176 /nfs/dbraw/zinc/49/71/76/1396497176.db2.gz BSWXXPPINMQSFW-GOSISDBHSA-N 2 2 342.487 3.225 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@H+](CCCC(C)C)C3)ccn12 ZINC001494826027 1396497180 /nfs/dbraw/zinc/49/71/80/1396497180.db2.gz BSWXXPPINMQSFW-GOSISDBHSA-N 2 2 342.487 3.225 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001689362532 1403697905 /nfs/dbraw/zinc/69/79/05/1403697905.db2.gz AOYRXOQVMJEMAU-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001689362532 1403697911 /nfs/dbraw/zinc/69/79/11/1403697911.db2.gz AOYRXOQVMJEMAU-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001689362532 1403697915 /nfs/dbraw/zinc/69/79/15/1403697915.db2.gz AOYRXOQVMJEMAU-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001689362532 1403697923 /nfs/dbraw/zinc/69/79/23/1403697923.db2.gz AOYRXOQVMJEMAU-KRWDZBQOSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001689362533 1403698033 /nfs/dbraw/zinc/69/80/33/1403698033.db2.gz AOYRXOQVMJEMAU-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001689362533 1403698037 /nfs/dbraw/zinc/69/80/37/1403698037.db2.gz AOYRXOQVMJEMAU-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001689362533 1403698046 /nfs/dbraw/zinc/69/80/46/1403698046.db2.gz AOYRXOQVMJEMAU-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001689362533 1403698051 /nfs/dbraw/zinc/69/80/51/1403698051.db2.gz AOYRXOQVMJEMAU-QGZVFWFLSA-N 2 2 348.535 3.385 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(C)C ZINC001689903487 1404197089 /nfs/dbraw/zinc/19/70/89/1404197089.db2.gz WIZPVSXXHQGGIC-SJLPKXTDSA-N 2 2 347.503 3.038 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCCC(F)(F)F ZINC001690590763 1404642771 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BWXLDUYFMRKATJ-IRXDYDNUSA-N 2 2 335.467 3.197 10 0 EGAELP CC[C@H](F)C[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872014 1419603161 /nfs/dbraw/zinc/60/31/61/1419603161.db2.gz BWXLDUYFMRKATJ-IRXDYDNUSA-N 2 2 335.467 3.197 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001714910816 1419657117 /nfs/dbraw/zinc/65/71/17/1419657117.db2.gz PHBYRDOHKVKRFA-ROUUACIJSA-N 2 2 348.535 3.441 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001714910816 1419657121 /nfs/dbraw/zinc/65/71/21/1419657121.db2.gz PHBYRDOHKVKRFA-ROUUACIJSA-N 2 2 348.535 3.441 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C)ccn12 ZINC001715229704 1419962065 /nfs/dbraw/zinc/96/20/65/1419962065.db2.gz NQORNVWNPVIENK-AWEZNQCLSA-N 2 2 330.476 3.034 10 0 EGAELP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715389323 1420086179 /nfs/dbraw/zinc/08/61/79/1420086179.db2.gz YRVFFHJCTMJAGC-WMLDXEAASA-N 2 2 348.878 3.124 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCC1CCCC1)C1CCCCC1 ZINC001715409075 1420106207 /nfs/dbraw/zinc/10/62/07/1420106207.db2.gz ZNBLCGPDHOVSAI-LJQANCHMSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001715448782 1420132592 /nfs/dbraw/zinc/13/25/92/1420132592.db2.gz WOTHHGATYHWSAM-MSOLQXFVSA-N 2 2 348.535 3.006 10 0 EGAELP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001715493221 1420174852 /nfs/dbraw/zinc/17/48/52/1420174852.db2.gz JVLHZNDUCCNGFC-PBHICJAKSA-N 2 2 330.476 3.033 10 0 EGAELP C[C@@H](CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001715879972 1420381036 /nfs/dbraw/zinc/38/10/36/1420381036.db2.gz VUJGIQZCBOJHAK-YATRRXNKSA-N 2 2 344.503 3.067 10 0 EGAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC001715880550 1420381102 /nfs/dbraw/zinc/38/11/02/1420381102.db2.gz WHNMHBMQCQCAOJ-YIEVGGLXSA-N 2 2 348.450 3.129 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001715985433 1420443852 /nfs/dbraw/zinc/44/38/52/1420443852.db2.gz LYUOBMDAWFJXSG-DZGCQCFKSA-N 2 2 339.430 3.150 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001716030178 1420488277 /nfs/dbraw/zinc/48/82/77/1420488277.db2.gz DRMFIVILFHGLRB-UKRRQHHQSA-N 2 2 348.878 3.043 10 0 EGAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001716030178 1420488279 /nfs/dbraw/zinc/48/82/79/1420488279.db2.gz DRMFIVILFHGLRB-UKRRQHHQSA-N 2 2 348.878 3.043 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483693 1420702328 /nfs/dbraw/zinc/70/23/28/1420702328.db2.gz LPRUJTVNPYKQBJ-IDTUSYRASA-N 2 2 328.460 3.359 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483693 1420702330 /nfs/dbraw/zinc/70/23/30/1420702330.db2.gz LPRUJTVNPYKQBJ-IDTUSYRASA-N 2 2 328.460 3.359 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716711776 1420864754 /nfs/dbraw/zinc/86/47/54/1420864754.db2.gz IMUFJPQSRKHYJI-QRVBRYPASA-N 2 2 346.519 3.336 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716711776 1420864757 /nfs/dbraw/zinc/86/47/57/1420864757.db2.gz IMUFJPQSRKHYJI-QRVBRYPASA-N 2 2 346.519 3.336 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001716825422 1420951844 /nfs/dbraw/zinc/95/18/44/1420951844.db2.gz YEIDVSQFTVOOBJ-IBGZPJMESA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001716985418 1421061571 /nfs/dbraw/zinc/06/15/71/1421061571.db2.gz ZSFNUJVPSUAIRH-WBVHZDCISA-N 2 2 342.487 3.297 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)ccn12 ZINC001717206670 1421177082 /nfs/dbraw/zinc/17/70/82/1421177082.db2.gz OKYAQOVXSCOPAG-UHFFFAOYSA-N 2 2 344.503 3.473 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)ccn12 ZINC001717206670 1421177084 /nfs/dbraw/zinc/17/70/84/1421177084.db2.gz OKYAQOVXSCOPAG-UHFFFAOYSA-N 2 2 344.503 3.473 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001717248704 1421220146 /nfs/dbraw/zinc/22/01/46/1421220146.db2.gz GFNXWNCQRBTTGJ-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001717248704 1421220147 /nfs/dbraw/zinc/22/01/47/1421220147.db2.gz GFNXWNCQRBTTGJ-FQEVSTJZSA-N 2 2 346.519 3.168 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CCCCCF)[C@@H](C)C2)c(C)[nH+]1 ZINC001717283515 1421234122 /nfs/dbraw/zinc/23/41/22/1421234122.db2.gz LDQWMVJCQDYEDW-YOEHRIQHSA-N 2 2 335.467 3.197 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379083 1421323151 /nfs/dbraw/zinc/32/31/51/1421323151.db2.gz QBYAOEFDUIRZRM-QZTJIDSGSA-N 2 2 346.519 3.011 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001717379083 1421323153 /nfs/dbraw/zinc/32/31/53/1421323153.db2.gz QBYAOEFDUIRZRM-QZTJIDSGSA-N 2 2 346.519 3.011 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001717417558 1421348145 /nfs/dbraw/zinc/34/81/45/1421348145.db2.gz YMLIFIWFJWKFDE-ZIAGYGMSSA-N 2 2 330.476 3.486 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001717478176 1421412310 /nfs/dbraw/zinc/41/23/10/1421412310.db2.gz NALFDDCQUQVVGG-CQSZACIVSA-N 2 2 340.471 3.193 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001717478176 1421412312 /nfs/dbraw/zinc/41/23/12/1421412312.db2.gz NALFDDCQUQVVGG-CQSZACIVSA-N 2 2 340.471 3.193 10 0 EGAELP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582177 1421508567 /nfs/dbraw/zinc/50/85/67/1421508567.db2.gz DBEGJWOCKNCQLW-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582177 1421508568 /nfs/dbraw/zinc/50/85/68/1421508568.db2.gz DBEGJWOCKNCQLW-IAGOWNOFSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CCC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717703836 1421577677 /nfs/dbraw/zinc/57/76/77/1421577677.db2.gz NHWRJZVOMKHSDI-KRWDZBQOSA-N 2 2 334.508 3.193 10 0 EGAELP CC(C)CCC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717703836 1421577679 /nfs/dbraw/zinc/57/76/79/1421577679.db2.gz NHWRJZVOMKHSDI-KRWDZBQOSA-N 2 2 334.508 3.193 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717838744 1421652183 /nfs/dbraw/zinc/65/21/83/1421652183.db2.gz XDKRGZHXMOBOSJ-DYIICSRESA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001717838744 1421652184 /nfs/dbraw/zinc/65/21/84/1421652184.db2.gz XDKRGZHXMOBOSJ-DYIICSRESA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717838744 1421652185 /nfs/dbraw/zinc/65/21/85/1421652185.db2.gz XDKRGZHXMOBOSJ-DYIICSRESA-N 2 2 344.503 3.202 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001717838744 1421652186 /nfs/dbraw/zinc/65/21/86/1421652186.db2.gz XDKRGZHXMOBOSJ-DYIICSRESA-N 2 2 344.503 3.202 10 0 EGAELP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001717878366 1421683871 /nfs/dbraw/zinc/68/38/71/1421683871.db2.gz WQIZLIKHDXVDLM-WMZOPIPTSA-N 2 2 340.471 3.161 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001733379465 1429563638 /nfs/dbraw/zinc/56/36/38/1429563638.db2.gz GDFOHFWFWHIXJK-CRAIPNDOSA-N 2 2 348.535 3.237 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733432807 1429640303 /nfs/dbraw/zinc/64/03/03/1429640303.db2.gz TXIQJWLBYDWHKX-AZUAARDMSA-N 2 2 348.535 3.345 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001722941063 1424267697 /nfs/dbraw/zinc/26/76/97/1424267697.db2.gz TYTNMKJUXXVKGY-FUHWJXTLSA-N 2 2 346.519 3.043 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001722941063 1424267700 /nfs/dbraw/zinc/26/77/00/1424267700.db2.gz TYTNMKJUXXVKGY-FUHWJXTLSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944426 1424270753 /nfs/dbraw/zinc/27/07/53/1424270753.db2.gz VRIPSVQTUMOQON-DOTOQJQBSA-N 2 2 342.487 3.487 10 0 EGAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001723827997 1424578861 /nfs/dbraw/zinc/57/88/61/1424578861.db2.gz WBTKMRLUPLRNLK-AQWUKCDYSA-N 2 2 343.515 3.178 10 0 EGAELP O=C(N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001724089807 1424656645 /nfs/dbraw/zinc/65/66/45/1424656645.db2.gz SQUHDTDSZDGJGQ-GALSZHCDSA-N 2 2 346.862 3.194 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001724098743 1424662537 /nfs/dbraw/zinc/66/25/37/1424662537.db2.gz QKLPXSUSFJQXRH-QGZVFWFLSA-N 2 2 348.535 3.054 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001724728219 1425080134 /nfs/dbraw/zinc/08/01/34/1425080134.db2.gz KSRTUCUWCDTPCC-SJORKVTESA-N 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ZAVPSZDMBUCTRY-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328656152 258018016 /nfs/dbraw/zinc/01/80/16/258018016.db2.gz ZAVPSZDMBUCTRY-ICSRJNTNSA-N 2 2 335.455 3.083 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000246875578 141040384 /nfs/dbraw/zinc/04/03/84/141040384.db2.gz FRHDWVFBRHTIBZ-LAUBAEHRSA-N 2 2 349.478 3.358 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000246875578 141040385 /nfs/dbraw/zinc/04/03/85/141040385.db2.gz FRHDWVFBRHTIBZ-LAUBAEHRSA-N 2 2 349.478 3.358 10 0 EGAELP C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347941843 141222161 /nfs/dbraw/zinc/22/21/61/141222161.db2.gz AKOVUXXSDIWSNF-GJZGRUSLSA-N 2 2 348.560 3.484 10 0 EGAELP C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347941843 141222162 /nfs/dbraw/zinc/22/21/62/141222162.db2.gz AKOVUXXSDIWSNF-GJZGRUSLSA-N 2 2 348.560 3.484 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)cc2)c[nH+]1 ZINC000361653476 144344014 /nfs/dbraw/zinc/34/40/14/144344014.db2.gz IHDJBSPUSNUCFJ-NRFANRHFSA-N 2 2 349.434 3.152 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)cc2)c[nH+]1 ZINC000361653476 144344016 /nfs/dbraw/zinc/34/40/16/144344016.db2.gz IHDJBSPUSNUCFJ-NRFANRHFSA-N 2 2 349.434 3.152 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)ccc2n1 ZINC000189751592 153094856 /nfs/dbraw/zinc/09/48/56/153094856.db2.gz ZWYFECIQDNPTQP-QGZVFWFLSA-N 2 2 339.483 3.228 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)ccc2n1 ZINC000189751592 153094860 /nfs/dbraw/zinc/09/48/60/153094860.db2.gz ZWYFECIQDNPTQP-QGZVFWFLSA-N 2 2 339.483 3.228 10 0 EGAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCCCOc3ccccc3)CC2)CCO1 ZINC000189751274 153095427 /nfs/dbraw/zinc/09/54/27/153095427.db2.gz YFHZYHYFHBPIJZ-IBGZPJMESA-N 2 2 346.515 3.421 10 0 EGAELP C[C@H]1C[N@H+](C2CC[NH+](CCCCCOc3ccccc3)CC2)CCO1 ZINC000189751274 153095431 /nfs/dbraw/zinc/09/54/31/153095431.db2.gz YFHZYHYFHBPIJZ-IBGZPJMESA-N 2 2 346.515 3.421 10 0 EGAELP CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000191898993 153230117 /nfs/dbraw/zinc/23/01/17/153230117.db2.gz VMZLUTVGFAYGKL-UHFFFAOYSA-N 2 2 348.450 3.172 10 0 EGAELP CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000191898993 153230121 /nfs/dbraw/zinc/23/01/21/153230121.db2.gz VMZLUTVGFAYGKL-UHFFFAOYSA-N 2 2 348.450 3.172 10 0 EGAELP CCO[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000193428382 153291889 /nfs/dbraw/zinc/29/18/89/153291889.db2.gz LRUFLYVDTUNJIS-NRFANRHFSA-N 2 2 339.483 3.413 10 0 EGAELP Cc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nn1C ZINC000337398109 154333168 /nfs/dbraw/zinc/33/31/68/154333168.db2.gz CFHKUXNCOIJVDO-LRVUVFPRSA-N 2 2 344.425 3.184 10 0 EGAELP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416976 154343102 /nfs/dbraw/zinc/34/31/02/154343102.db2.gz ZWEJJSQXYQUNSB-IXDOHACOSA-N 2 2 334.508 3.148 10 0 EGAELP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416976 154343104 /nfs/dbraw/zinc/34/31/04/154343104.db2.gz ZWEJJSQXYQUNSB-IXDOHACOSA-N 2 2 334.508 3.148 10 0 EGAELP CCC[N@H+](Cc1n[nH]cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365619086 157194376 /nfs/dbraw/zinc/19/43/76/157194376.db2.gz QPKGAZQPKVTXRN-UHFFFAOYSA-N 2 2 342.491 3.006 10 0 EGAELP CCC[N@@H+](Cc1n[nH]cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365619086 157194380 /nfs/dbraw/zinc/19/43/80/157194380.db2.gz QPKGAZQPKVTXRN-UHFFFAOYSA-N 2 2 342.491 3.006 10 0 EGAELP CCC[N@H+](Cc1[nH]ncc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365619086 157194384 /nfs/dbraw/zinc/19/43/84/157194384.db2.gz QPKGAZQPKVTXRN-UHFFFAOYSA-N 2 2 342.491 3.006 10 0 EGAELP CCC[N@@H+](Cc1[nH]ncc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365619086 157194390 /nfs/dbraw/zinc/19/43/90/157194390.db2.gz QPKGAZQPKVTXRN-UHFFFAOYSA-N 2 2 342.491 3.006 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000372424655 157327896 /nfs/dbraw/zinc/32/78/96/157327896.db2.gz GXTSPSCNUGZYAC-QGZVFWFLSA-N 2 2 336.443 3.204 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000372431301 157329618 /nfs/dbraw/zinc/32/96/18/157329618.db2.gz LLZCKCUWJWGJQT-WMLDXEAASA-N 2 2 348.535 3.121 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000372431301 157329621 /nfs/dbraw/zinc/32/96/21/157329621.db2.gz LLZCKCUWJWGJQT-WMLDXEAASA-N 2 2 348.535 3.121 10 0 EGAELP Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112077775 162162916 /nfs/dbraw/zinc/16/29/16/162162916.db2.gz HUDICXCSBRKRPF-MRXNPFEDSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000112077775 162162918 /nfs/dbraw/zinc/16/29/18/162162918.db2.gz HUDICXCSBRKRPF-MRXNPFEDSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000130573248 162372422 /nfs/dbraw/zinc/37/24/22/162372422.db2.gz BRKZZHNMXNHHSK-INIZCTEOSA-N 2 2 325.460 3.237 10 0 EGAELP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000130573248 162372425 /nfs/dbraw/zinc/37/24/25/162372425.db2.gz BRKZZHNMXNHHSK-INIZCTEOSA-N 2 2 325.460 3.237 10 0 EGAELP Brc1ccc(C[C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000130753918 162377700 /nfs/dbraw/zinc/37/77/00/162377700.db2.gz FMPTXNPBFWVTSO-INIZCTEOSA-N 2 2 334.261 3.353 10 0 EGAELP Brc1ccc(C[C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000130753918 162377703 /nfs/dbraw/zinc/37/77/03/162377703.db2.gz FMPTXNPBFWVTSO-INIZCTEOSA-N 2 2 334.261 3.353 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248557340 163013348 /nfs/dbraw/zinc/01/33/48/163013348.db2.gz LKLQAEIURMKZSY-RHSMWYFYSA-N 2 2 337.826 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248557340 163013351 /nfs/dbraw/zinc/01/33/51/163013351.db2.gz LKLQAEIURMKZSY-RHSMWYFYSA-N 2 2 337.826 3.182 10 0 EGAELP Cc1cc(-c2nnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)c(C)o1 ZINC000336879063 163086108 /nfs/dbraw/zinc/08/61/08/163086108.db2.gz LBIDXKOQTKOTLI-UHFFFAOYSA-N 2 2 327.388 3.049 10 0 EGAELP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345696236 164245574 /nfs/dbraw/zinc/24/55/74/164245574.db2.gz OWELOEUMWRPNJW-CYBMUJFWSA-N 2 2 344.484 3.338 10 0 EGAELP c1cc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)o2)n[nH]1 ZINC000355339722 166169657 /nfs/dbraw/zinc/16/96/57/166169657.db2.gz VAAUPXJXISYBEW-QZTJIDSGSA-N 2 2 348.450 3.234 10 0 EGAELP O=[S@@](CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798245 166313349 /nfs/dbraw/zinc/31/33/49/166313349.db2.gz OWFFDYAQQCFPDH-CYFREDJKSA-N 2 2 348.556 3.382 10 0 EGAELP O=[S@@](CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798245 166313352 /nfs/dbraw/zinc/31/33/52/166313352.db2.gz OWFFDYAQQCFPDH-CYFREDJKSA-N 2 2 348.556 3.382 10 0 EGAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2OC)CC1 ZINC000359218145 167098627 /nfs/dbraw/zinc/09/86/27/167098627.db2.gz CTUJBZLBDKLZKE-UHFFFAOYSA-N 2 2 341.293 3.374 10 0 EGAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2OC)CC1 ZINC000359218145 167098628 /nfs/dbraw/zinc/09/86/28/167098628.db2.gz CTUJBZLBDKLZKE-UHFFFAOYSA-N 2 2 341.293 3.374 10 0 EGAELP c1cn(-c2ccc(C[NH2+]CC[C@@H]3COc4ccccc4O3)cc2)c[nH+]1 ZINC000360272481 167286888 /nfs/dbraw/zinc/28/68/88/167286888.db2.gz CQPDHHRICICSSS-GOSISDBHSA-N 2 2 335.407 3.192 10 0 EGAELP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731283 168040145 /nfs/dbraw/zinc/04/01/45/168040145.db2.gz CCGPNDHPMLDRAH-LWYYNNOASA-N 2 2 336.483 3.052 10 0 EGAELP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000365731283 168040147 /nfs/dbraw/zinc/04/01/47/168040147.db2.gz CCGPNDHPMLDRAH-LWYYNNOASA-N 2 2 336.483 3.052 10 0 EGAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)o2)n[nH]1 ZINC000366031564 168073803 /nfs/dbraw/zinc/07/38/03/168073803.db2.gz WSVGWWHUOVUWQB-UHFFFAOYSA-N 2 2 328.460 3.414 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC000368087628 168308816 /nfs/dbraw/zinc/30/88/16/168308816.db2.gz BPSLJPFBIRWIHQ-INIZCTEOSA-N 2 2 343.434 3.396 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000368087628 168308817 /nfs/dbraw/zinc/30/88/17/168308817.db2.gz BPSLJPFBIRWIHQ-INIZCTEOSA-N 2 2 343.434 3.396 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000122830726 222167198 /nfs/dbraw/zinc/16/71/98/222167198.db2.gz PXCLTJGQVFEPJP-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000122830726 222167201 /nfs/dbraw/zinc/16/72/01/222167201.db2.gz PXCLTJGQVFEPJP-MRXNPFEDSA-N 2 2 329.444 3.300 10 0 EGAELP COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)co2)cc1 ZINC000123744662 222326390 /nfs/dbraw/zinc/32/63/90/222326390.db2.gz UYZDWMFNQREOKA-RHSMWYFYSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)co2)cc1 ZINC000123744662 222326393 /nfs/dbraw/zinc/32/63/93/222326393.db2.gz UYZDWMFNQREOKA-RHSMWYFYSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)co2)cc1 ZINC000123744662 222326397 /nfs/dbraw/zinc/32/63/97/222326397.db2.gz UYZDWMFNQREOKA-RHSMWYFYSA-N 2 2 329.444 3.265 10 0 EGAELP COc1ccc(-c2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000123744662 222326401 /nfs/dbraw/zinc/32/64/01/222326401.db2.gz UYZDWMFNQREOKA-RHSMWYFYSA-N 2 2 329.444 3.265 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n(-c2ccccc2)n1 ZINC000279127994 275306253 /nfs/dbraw/zinc/30/62/53/275306253.db2.gz MIDZMCRTOMYAGT-UHFFFAOYSA-N 2 2 347.466 3.022 10 0 EGAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n(-c2ccccc2)n1 ZINC000279195558 275311664 /nfs/dbraw/zinc/31/16/64/275311664.db2.gz UHZBXEGCVLNISL-UHFFFAOYSA-N 2 2 347.466 3.022 10 0 EGAELP Cc1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000281941873 275590335 /nfs/dbraw/zinc/59/03/35/275590335.db2.gz CCUWOMMMBUOYPQ-HNNXBMFYSA-N 2 2 339.443 3.334 10 0 EGAELP CC(C)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000374831364 275642166 /nfs/dbraw/zinc/64/21/66/275642166.db2.gz YKTLGBLBGKXLAW-RTBURBONSA-N 2 2 348.441 3.365 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109756070 278307950 /nfs/dbraw/zinc/30/79/50/278307950.db2.gz CMRJRPRKFBFAFZ-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109756070 278307951 /nfs/dbraw/zinc/30/79/51/278307951.db2.gz CMRJRPRKFBFAFZ-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973462 279267213 /nfs/dbraw/zinc/26/72/13/279267213.db2.gz PVCFWKGKODHJQH-KZNAEPCWSA-N 2 2 349.906 3.076 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973462 279267217 /nfs/dbraw/zinc/26/72/17/279267217.db2.gz PVCFWKGKODHJQH-KZNAEPCWSA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973462 279267221 /nfs/dbraw/zinc/26/72/21/279267221.db2.gz PVCFWKGKODHJQH-KZNAEPCWSA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340973462 279267223 /nfs/dbraw/zinc/26/72/23/279267223.db2.gz PVCFWKGKODHJQH-KZNAEPCWSA-N 2 2 349.906 3.076 10 0 EGAELP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074173986 307391417 /nfs/dbraw/zinc/39/14/17/307391417.db2.gz ZCOBELSDEBZVRT-INIZCTEOSA-N 2 2 340.471 3.170 10 0 EGAELP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000126399397 307569034 /nfs/dbraw/zinc/56/90/34/307569034.db2.gz ZOTHWTHDDCWDQX-MSOLQXFVSA-N 2 2 331.504 3.480 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162653 309064145 /nfs/dbraw/zinc/06/41/45/309064145.db2.gz DOLRJEQAFMVVNI-LAUBAEHRSA-N 3 2 334.467 3.335 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162653 309064146 /nfs/dbraw/zinc/06/41/46/309064146.db2.gz DOLRJEQAFMVVNI-LAUBAEHRSA-N 3 2 334.467 3.335 10 0 EGAELP OC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414327526 309073099 /nfs/dbraw/zinc/07/30/99/309073099.db2.gz BIPVCIQOPHOBPX-QFBILLFUSA-N 2 2 336.907 3.445 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394902 309077378 /nfs/dbraw/zinc/07/73/78/309077378.db2.gz JBTGEPNBHWPBQQ-QRWLVFNGSA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394902 309077379 /nfs/dbraw/zinc/07/73/79/309077379.db2.gz JBTGEPNBHWPBQQ-QRWLVFNGSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394902 309077380 /nfs/dbraw/zinc/07/73/80/309077380.db2.gz JBTGEPNBHWPBQQ-QRWLVFNGSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414394902 309077381 /nfs/dbraw/zinc/07/73/81/309077381.db2.gz JBTGEPNBHWPBQQ-QRWLVFNGSA-N 2 2 344.478 3.482 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000249443419 308023975 /nfs/dbraw/zinc/02/39/75/308023975.db2.gz MPNDJTJGTDSLGC-ZACQAIPSSA-N 2 2 333.476 3.248 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000249443419 308023976 /nfs/dbraw/zinc/02/39/76/308023976.db2.gz MPNDJTJGTDSLGC-ZACQAIPSSA-N 2 2 333.476 3.248 10 0 EGAELP FC(F)Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000294679218 308245184 /nfs/dbraw/zinc/24/51/84/308245184.db2.gz MVEXXWPPTGBBPW-HNNXBMFYSA-N 2 2 349.429 3.061 10 0 EGAELP FC(F)Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000294679218 308245185 /nfs/dbraw/zinc/24/51/85/308245185.db2.gz MVEXXWPPTGBBPW-HNNXBMFYSA-N 2 2 349.429 3.061 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000413063869 309014122 /nfs/dbraw/zinc/01/41/22/309014122.db2.gz RTAHQURDBQEFEZ-HUUCEWRRSA-N 2 2 346.272 3.458 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000413063869 309014123 /nfs/dbraw/zinc/01/41/23/309014123.db2.gz RTAHQURDBQEFEZ-HUUCEWRRSA-N 2 2 346.272 3.458 10 0 EGAELP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OCc1cccs1 ZINC000414931229 309109881 /nfs/dbraw/zinc/10/98/81/309109881.db2.gz PTRVSDULPQIJAR-PBHICJAKSA-N 2 2 346.496 3.423 10 0 EGAELP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000415012694 309114202 /nfs/dbraw/zinc/11/42/02/309114202.db2.gz JOLVGJGSBTVBCX-LSDHHAIUSA-N 2 2 344.455 3.108 10 0 EGAELP Clc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053756 309116685 /nfs/dbraw/zinc/11/66/85/309116685.db2.gz PBQDDQUWIAQVFC-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415053756 309116686 /nfs/dbraw/zinc/11/66/86/309116686.db2.gz PBQDDQUWIAQVFC-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059450 309117412 /nfs/dbraw/zinc/11/74/12/309117412.db2.gz WXEDHEWDOXWGTB-RHSMWYFYSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059450 309117413 /nfs/dbraw/zinc/11/74/13/309117413.db2.gz WXEDHEWDOXWGTB-RHSMWYFYSA-N 2 2 336.863 3.091 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374839 309284991 /nfs/dbraw/zinc/28/49/91/309284991.db2.gz NXYIAWIHTNEWPD-HRAATJIYSA-N 2 2 343.515 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374839 309284992 /nfs/dbraw/zinc/28/49/92/309284992.db2.gz NXYIAWIHTNEWPD-HRAATJIYSA-N 2 2 343.515 3.214 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420392756 309286157 /nfs/dbraw/zinc/28/61/57/309286157.db2.gz ZXUDIYAZGUWHQP-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420392756 309286158 /nfs/dbraw/zinc/28/61/58/309286158.db2.gz ZXUDIYAZGUWHQP-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP FC(F)(F)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923226 309301436 /nfs/dbraw/zinc/30/14/36/309301436.db2.gz PURJJXKRNHJBFK-QGZVFWFLSA-N 2 2 342.405 3.293 10 0 EGAELP FC(F)(F)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923226 309301437 /nfs/dbraw/zinc/30/14/37/309301437.db2.gz PURJJXKRNHJBFK-QGZVFWFLSA-N 2 2 342.405 3.293 10 0 EGAELP Cc1c(Cl)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1C ZINC000421321165 309318370 /nfs/dbraw/zinc/31/83/70/309318370.db2.gz QWVNBEAECXROPH-UHFFFAOYSA-N 2 2 338.927 3.470 10 0 EGAELP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000422637366 309363092 /nfs/dbraw/zinc/36/30/92/309363092.db2.gz OKOUBNNIMOFEDZ-UHFFFAOYSA-N 2 2 347.547 3.308 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000422751304 309366469 /nfs/dbraw/zinc/36/64/69/309366469.db2.gz BFZGHCQNHIKACG-SWHYSGLUSA-N 2 2 325.250 3.003 10 0 EGAELP Clc1ccc(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422824852 309370323 /nfs/dbraw/zinc/37/03/23/309370323.db2.gz ORPROYJDYHXYEQ-SJORKVTESA-N 2 2 343.298 3.283 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCc2nccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422914221 309375950 /nfs/dbraw/zinc/37/59/50/309375950.db2.gz SFSVHGDPODSSNH-SJLPKXTDSA-N 2 2 331.485 3.167 10 0 EGAELP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422934602 309376803 /nfs/dbraw/zinc/37/68/03/309376803.db2.gz CREWVIMAXYEKHV-ZIAGYGMSSA-N 2 2 326.444 3.330 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422937414 309377117 /nfs/dbraw/zinc/37/71/17/309377117.db2.gz CJJFIDMWHOEKJU-SNVBAGLBSA-N 2 2 336.233 3.116 10 0 EGAELP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423196518 309390142 /nfs/dbraw/zinc/39/01/42/309390142.db2.gz ZXCNCBVOAJALJZ-LULLPPNCSA-N 2 2 334.891 3.333 10 0 EGAELP COc1ccc(Cl)cc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423223997 309391230 /nfs/dbraw/zinc/39/12/30/309391230.db2.gz BFUYYUODEJJHLN-ZDUSSCGKSA-N 2 2 346.862 3.326 10 0 EGAELP CSc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423234078 309391514 /nfs/dbraw/zinc/39/15/14/309391514.db2.gz PBGVZSKZNPVKEO-AWEZNQCLSA-N 2 2 328.485 3.386 10 0 EGAELP FC(F)(F)C1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423234464 309391795 /nfs/dbraw/zinc/39/17/95/309391795.db2.gz PKSWMWYZJMFRIA-UHFFFAOYSA-N 2 2 328.382 3.024 10 0 EGAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1NC(C)=O ZINC000423249363 309392141 /nfs/dbraw/zinc/39/21/41/309392141.db2.gz SVLPSXWYDGTBKG-CXAGYDPISA-N 2 2 327.428 3.004 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000424143001 309430720 /nfs/dbraw/zinc/43/07/20/309430720.db2.gz JGKVQKICLADOOL-MRXNPFEDSA-N 2 2 332.835 3.013 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC4CCC3CC4)c2cc1C ZINC000433064708 309677380 /nfs/dbraw/zinc/67/73/80/309677380.db2.gz CBWGYTKVNBHKPQ-HIEASXQVSA-N 2 2 327.472 3.182 10 0 EGAELP Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC000449065155 310034159 /nfs/dbraw/zinc/03/41/59/310034159.db2.gz YCVZDWJYPKNBMC-UHFFFAOYSA-N 2 2 328.431 3.256 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449185104 310043094 /nfs/dbraw/zinc/04/30/94/310043094.db2.gz GAFIDINVDOGXFI-FZQKWOKYSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449185104 310043095 /nfs/dbraw/zinc/04/30/95/310043095.db2.gz GAFIDINVDOGXFI-FZQKWOKYSA-N 2 2 327.241 3.115 10 0 EGAELP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000449234801 310046739 /nfs/dbraw/zinc/04/67/39/310046739.db2.gz RGPCILQAJNXREW-SQNIBIBYSA-N 2 2 346.519 3.106 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000449247578 310047446 /nfs/dbraw/zinc/04/74/46/310047446.db2.gz GQCVXJKKOAUSGG-UZLBHIALSA-N 2 2 344.524 3.467 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391843 310058218 /nfs/dbraw/zinc/05/82/18/310058218.db2.gz IMYYRUWOPUOSJX-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391843 310058219 /nfs/dbraw/zinc/05/82/19/310058219.db2.gz IMYYRUWOPUOSJX-ZIAGYGMSSA-N 2 2 330.925 3.159 10 0 EGAELP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000449394184 310058387 /nfs/dbraw/zinc/05/83/87/310058387.db2.gz PVULKWXKSOCTTM-KRWDZBQOSA-N 2 2 327.453 3.281 10 0 EGAELP Cc1nc(C[NH2+]C2CC[NH+](C(C)C)CC2)sc1Br ZINC000449401636 310059078 /nfs/dbraw/zinc/05/90/78/310059078.db2.gz NNTOMLFOKHCDEB-UHFFFAOYSA-N 2 2 332.311 3.176 10 0 EGAELP CCCc1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000449614404 310075418 /nfs/dbraw/zinc/07/54/18/310075418.db2.gz VLTXACJSVHLAAN-UHFFFAOYSA-N 2 2 327.472 3.424 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)ccc2[nH+]1 ZINC000449840149 310090114 /nfs/dbraw/zinc/09/01/14/310090114.db2.gz PACCPNDAKFEXLW-KRWDZBQOSA-N 2 2 326.444 3.378 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)ccc2[nH+]1 ZINC000449840149 310090115 /nfs/dbraw/zinc/09/01/15/310090115.db2.gz PACCPNDAKFEXLW-KRWDZBQOSA-N 2 2 326.444 3.378 10 0 EGAELP C[N@H+](C[C@H](O)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452113373 310212973 /nfs/dbraw/zinc/21/29/73/310212973.db2.gz HNKKGBLXTRRIOU-INIZCTEOSA-N 2 2 336.442 3.276 10 0 EGAELP C[N@@H+](C[C@H](O)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452113373 310212974 /nfs/dbraw/zinc/21/29/74/310212974.db2.gz HNKKGBLXTRRIOU-INIZCTEOSA-N 2 2 336.442 3.276 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)CCOCC1 ZINC000453091789 310257283 /nfs/dbraw/zinc/25/72/83/310257283.db2.gz SMYDWZVMWWRPAE-MSOLQXFVSA-N 2 2 326.525 3.061 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258594 310267461 /nfs/dbraw/zinc/26/74/61/310267461.db2.gz HWZVFBPDRXIRTN-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)(F)F)cc1 ZINC000453258594 310267462 /nfs/dbraw/zinc/26/74/62/310267462.db2.gz HWZVFBPDRXIRTN-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000453273247 310268480 /nfs/dbraw/zinc/26/84/80/310268480.db2.gz VNGJIDWYDOTMMO-HUUCEWRRSA-N 2 2 342.430 3.094 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccsc2S1 ZINC000453275292 310268551 /nfs/dbraw/zinc/26/85/51/310268551.db2.gz WVULGYGDVWKKGG-GZBFAFLISA-N 2 2 326.531 3.110 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccsc2S1 ZINC000453275292 310268552 /nfs/dbraw/zinc/26/85/52/310268552.db2.gz WVULGYGDVWKKGG-GZBFAFLISA-N 2 2 326.531 3.110 10 0 EGAELP CCn1ccnc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000453307533 310270236 /nfs/dbraw/zinc/27/02/36/310270236.db2.gz CXMNOJUJQNPRJM-KRWDZBQOSA-N 2 2 326.488 3.088 10 0 EGAELP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c(C)c1 ZINC000490145307 311134120 /nfs/dbraw/zinc/13/41/20/311134120.db2.gz SSGOJKSRGFUPIR-IRLDBZIGSA-N 2 2 338.495 3.439 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058999 311162459 /nfs/dbraw/zinc/16/24/59/311162459.db2.gz QGGFBNGFWWCFJD-RBUKOAKNSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058999 311162460 /nfs/dbraw/zinc/16/24/60/311162460.db2.gz QGGFBNGFWWCFJD-RBUKOAKNSA-N 2 2 337.552 3.269 10 0 EGAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059151 311162718 /nfs/dbraw/zinc/16/27/18/311162718.db2.gz IDHSBZGJHYIKCH-VAMGGRTRSA-N 2 2 349.563 3.079 10 0 EGAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000491059151 311162719 /nfs/dbraw/zinc/16/27/19/311162719.db2.gz IDHSBZGJHYIKCH-VAMGGRTRSA-N 2 2 349.563 3.079 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657188 312122513 /nfs/dbraw/zinc/12/25/13/312122513.db2.gz IVTTWHNGRZLFOJ-RBUKOAKNSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000509657188 312122515 /nfs/dbraw/zinc/12/25/15/312122515.db2.gz IVTTWHNGRZLFOJ-RBUKOAKNSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509657188 312122516 /nfs/dbraw/zinc/12/25/16/312122516.db2.gz IVTTWHNGRZLFOJ-RBUKOAKNSA-N 2 2 332.488 3.028 10 0 EGAELP COC(=O)[C@@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509657188 312122518 /nfs/dbraw/zinc/12/25/18/312122518.db2.gz IVTTWHNGRZLFOJ-RBUKOAKNSA-N 2 2 332.488 3.028 10 0 EGAELP COc1nc2ccccc2cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000526999863 312815262 /nfs/dbraw/zinc/81/52/62/312815262.db2.gz WLZJMEWONXRZIL-UHFFFAOYSA-N 2 2 325.456 3.350 10 0 EGAELP CC[N@H+](Cc1nnc(C2CC2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000528813134 313180258 /nfs/dbraw/zinc/18/02/58/313180258.db2.gz NOWFMBVNRBOBOH-UHFFFAOYSA-N 2 2 330.501 3.499 10 0 EGAELP CC[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000528813134 313180261 /nfs/dbraw/zinc/18/02/61/313180261.db2.gz NOWFMBVNRBOBOH-UHFFFAOYSA-N 2 2 330.501 3.499 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150311 314365417 /nfs/dbraw/zinc/36/54/17/314365417.db2.gz IFVYNPGGULPSKQ-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540150311 314365419 /nfs/dbraw/zinc/36/54/19/314365419.db2.gz IFVYNPGGULPSKQ-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@]2(CCSC2)C1 ZINC000564215381 316125242 /nfs/dbraw/zinc/12/52/42/316125242.db2.gz YOTGDJGYFWOHQY-FQEVSTJZSA-N 2 2 348.556 3.353 10 0 EGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@]2(CCSC2)C1 ZINC000564215381 316125247 /nfs/dbraw/zinc/12/52/47/316125247.db2.gz YOTGDJGYFWOHQY-FQEVSTJZSA-N 2 2 348.556 3.353 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000564215381 316125249 /nfs/dbraw/zinc/12/52/49/316125249.db2.gz YOTGDJGYFWOHQY-FQEVSTJZSA-N 2 2 348.556 3.353 10 0 EGAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000564215381 316125254 /nfs/dbraw/zinc/12/52/54/316125254.db2.gz YOTGDJGYFWOHQY-FQEVSTJZSA-N 2 2 348.556 3.353 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000565363353 316314594 /nfs/dbraw/zinc/31/45/94/316314594.db2.gz QPRBXXWJYZNSMU-LJQANCHMSA-N 2 2 348.450 3.227 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000565363353 316314597 /nfs/dbraw/zinc/31/45/97/316314597.db2.gz QPRBXXWJYZNSMU-LJQANCHMSA-N 2 2 348.450 3.227 10 0 EGAELP c1cn(CCCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c[nH+]1 ZINC000568051087 316716027 /nfs/dbraw/zinc/71/60/27/316716027.db2.gz WRISMSCRPVHYOF-UHFFFAOYSA-N 3 2 338.499 3.221 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165492 317300579 /nfs/dbraw/zinc/30/05/79/317300579.db2.gz VHKGCPNSSUHDOV-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165492 317300582 /nfs/dbraw/zinc/30/05/82/317300582.db2.gz VHKGCPNSSUHDOV-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165492 317300585 /nfs/dbraw/zinc/30/05/85/317300585.db2.gz VHKGCPNSSUHDOV-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165492 317300588 /nfs/dbraw/zinc/30/05/88/317300588.db2.gz VHKGCPNSSUHDOV-MRXNPFEDSA-N 2 2 330.501 3.109 10 0 EGAELP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179432496 323387688 /nfs/dbraw/zinc/38/76/88/323387688.db2.gz YQXBBRWMBLWTQK-LJQANCHMSA-N 2 2 347.466 3.260 10 0 EGAELP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179432496 323387691 /nfs/dbraw/zinc/38/76/91/323387691.db2.gz YQXBBRWMBLWTQK-LJQANCHMSA-N 2 2 347.466 3.260 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000389813084 324280091 /nfs/dbraw/zinc/28/00/91/324280091.db2.gz HENMFSUMLZHSET-OXJNMPFZSA-N 2 2 338.451 3.083 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000389813084 324280094 /nfs/dbraw/zinc/28/00/94/324280094.db2.gz HENMFSUMLZHSET-OXJNMPFZSA-N 2 2 338.451 3.083 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000583563582 325534373 /nfs/dbraw/zinc/53/43/73/325534373.db2.gz JUEKYGKOYUPJCN-CQSZACIVSA-N 2 2 336.439 3.071 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1CCCCC1 ZINC000180672710 455223253 /nfs/dbraw/zinc/22/32/53/455223253.db2.gz YTEKKYDGJCZEIK-JKSUJKDBSA-N 2 2 340.471 3.360 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000264664391 455258485 /nfs/dbraw/zinc/25/84/85/455258485.db2.gz RTKIFYGESRUPIB-HNNXBMFYSA-N 2 2 343.475 3.276 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000264664391 455258490 /nfs/dbraw/zinc/25/84/90/455258490.db2.gz RTKIFYGESRUPIB-HNNXBMFYSA-N 2 2 343.475 3.276 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440703 455300679 /nfs/dbraw/zinc/30/06/79/455300679.db2.gz UTNNSVHTOJNDPO-HKUYNNGSSA-N 2 2 331.504 3.090 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440703 455300684 /nfs/dbraw/zinc/30/06/84/455300684.db2.gz UTNNSVHTOJNDPO-HKUYNNGSSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440703 455300687 /nfs/dbraw/zinc/30/06/87/455300687.db2.gz UTNNSVHTOJNDPO-HKUYNNGSSA-N 2 2 331.504 3.090 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245440703 455300690 /nfs/dbraw/zinc/30/06/90/455300690.db2.gz UTNNSVHTOJNDPO-HKUYNNGSSA-N 2 2 331.504 3.090 10 0 EGAELP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000631833497 460575800 /nfs/dbraw/zinc/57/58/00/460575800.db2.gz BLTXYVBXWPPDFR-IBGZPJMESA-N 2 2 325.456 3.364 10 0 EGAELP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000631833497 460575803 /nfs/dbraw/zinc/57/58/03/460575803.db2.gz BLTXYVBXWPPDFR-IBGZPJMESA-N 2 2 325.456 3.364 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1cccs1 ZINC000631886267 460589258 /nfs/dbraw/zinc/58/92/58/460589258.db2.gz GNIOAJQPDCTMKJ-RVKKMQEKSA-N 2 2 349.544 3.025 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1cccs1 ZINC000631886267 460589262 /nfs/dbraw/zinc/58/92/62/460589262.db2.gz GNIOAJQPDCTMKJ-RVKKMQEKSA-N 2 2 349.544 3.025 10 0 EGAELP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886414 460589356 /nfs/dbraw/zinc/58/93/56/460589356.db2.gz JRCRXQUAISHNFU-SWLSCSKDSA-N 2 2 339.277 3.032 10 0 EGAELP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886414 460589359 /nfs/dbraw/zinc/58/93/59/460589359.db2.gz JRCRXQUAISHNFU-SWLSCSKDSA-N 2 2 339.277 3.032 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1(C)C ZINC000623534547 460599548 /nfs/dbraw/zinc/59/95/48/460599548.db2.gz UCCVECIVVSZCMF-CQSZACIVSA-N 3 2 332.879 3.488 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1(C)C ZINC000623534547 460599554 /nfs/dbraw/zinc/59/95/54/460599554.db2.gz UCCVECIVVSZCMF-CQSZACIVSA-N 3 2 332.879 3.488 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1(C)C ZINC000623534547 460599562 /nfs/dbraw/zinc/59/95/62/460599562.db2.gz UCCVECIVVSZCMF-CQSZACIVSA-N 2 2 332.879 3.488 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1(C)C ZINC000623534547 460599568 /nfs/dbraw/zinc/59/95/68/460599568.db2.gz UCCVECIVVSZCMF-CQSZACIVSA-N 2 2 332.879 3.488 10 0 EGAELP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000612399147 460618715 /nfs/dbraw/zinc/61/87/15/460618715.db2.gz SVIHXBHPOPFUQP-UHFFFAOYSA-N 2 2 339.420 3.236 10 0 EGAELP COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000612399147 460618726 /nfs/dbraw/zinc/61/87/26/460618726.db2.gz SVIHXBHPOPFUQP-UHFFFAOYSA-N 2 2 339.420 3.236 10 0 EGAELP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)OCCCO1 ZINC000190674491 455364682 /nfs/dbraw/zinc/36/46/82/455364682.db2.gz DLPSIOPFAHVNST-UHFFFAOYSA-N 2 2 338.879 3.047 10 0 EGAELP CCn1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791379 455380237 /nfs/dbraw/zinc/38/02/37/455380237.db2.gz WDFDOGSSYYBKQI-FXAWDEMLSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791379 455380243 /nfs/dbraw/zinc/38/02/43/455380243.db2.gz WDFDOGSSYYBKQI-FXAWDEMLSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791379 455380247 /nfs/dbraw/zinc/38/02/47/455380247.db2.gz WDFDOGSSYYBKQI-FXAWDEMLSA-N 2 2 326.488 3.388 10 0 EGAELP CCn1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000245791379 455380251 /nfs/dbraw/zinc/38/02/51/455380251.db2.gz WDFDOGSSYYBKQI-FXAWDEMLSA-N 2 2 326.488 3.388 10 0 EGAELP C[N@@H+]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C2(CCCCC2)C1 ZINC000081598695 453893758 /nfs/dbraw/zinc/89/37/58/453893758.db2.gz CASSEDMFLAKYCC-UHFFFAOYSA-N 2 2 338.499 3.382 10 0 EGAELP C[N@H+]1CCN(Cc2[nH+]ccn2Cc2ccccc2)C2(CCCCC2)C1 ZINC000081598695 453893762 /nfs/dbraw/zinc/89/37/62/453893762.db2.gz CASSEDMFLAKYCC-UHFFFAOYSA-N 2 2 338.499 3.382 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043676961 454072730 /nfs/dbraw/zinc/07/27/30/454072730.db2.gz BKYVEAREQZXXTO-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043676961 454072731 /nfs/dbraw/zinc/07/27/31/454072731.db2.gz BKYVEAREQZXXTO-YPMHNXCESA-N 2 2 329.307 3.475 10 0 EGAELP COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC000077353809 454095920 /nfs/dbraw/zinc/09/59/20/454095920.db2.gz GXPFXJSTFKKQDM-MRXNPFEDSA-N 2 2 342.487 3.412 10 0 EGAELP COc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC000077353809 454095922 /nfs/dbraw/zinc/09/59/22/454095922.db2.gz GXPFXJSTFKKQDM-MRXNPFEDSA-N 2 2 342.487 3.412 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000069705992 454135451 /nfs/dbraw/zinc/13/54/51/454135451.db2.gz BNGMMZHJTADOKZ-RBUKOAKNSA-N 2 2 340.471 3.048 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000069705992 454135456 /nfs/dbraw/zinc/13/54/56/454135456.db2.gz BNGMMZHJTADOKZ-RBUKOAKNSA-N 2 2 340.471 3.048 10 0 EGAELP COC(=O)c1sccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000119703449 454214068 /nfs/dbraw/zinc/21/40/68/454214068.db2.gz NECRWFZYROZABJ-AWEZNQCLSA-N 2 2 345.468 3.172 10 0 EGAELP COC(=O)c1sccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000119703449 454214071 /nfs/dbraw/zinc/21/40/71/454214071.db2.gz NECRWFZYROZABJ-AWEZNQCLSA-N 2 2 345.468 3.172 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000131446650 454254665 /nfs/dbraw/zinc/25/46/65/454254665.db2.gz JADXLPLFAGIZGK-CQSZACIVSA-N 2 2 335.883 3.303 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080960427 454656821 /nfs/dbraw/zinc/65/68/21/454656821.db2.gz DOWDWRUPTMBSNQ-OAHLLOKOSA-N 2 2 338.411 3.453 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080960427 454656823 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ZINC000247388428 455594061 /nfs/dbraw/zinc/59/40/61/455594061.db2.gz WTZNPIIOWAYAAE-IAGOWNOFSA-N 2 2 333.863 3.469 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944370 455658338 /nfs/dbraw/zinc/65/83/38/455658338.db2.gz DILYSCCDZNZVTE-HKUYNNGSSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944370 455658342 /nfs/dbraw/zinc/65/83/42/455658342.db2.gz DILYSCCDZNZVTE-HKUYNNGSSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247944370 455658346 /nfs/dbraw/zinc/65/83/46/455658346.db2.gz DILYSCCDZNZVTE-HKUYNNGSSA-N 2 2 343.515 3.473 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247944370 455658351 /nfs/dbraw/zinc/65/83/51/455658351.db2.gz DILYSCCDZNZVTE-HKUYNNGSSA-N 2 2 343.515 3.473 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000185943763 455658479 /nfs/dbraw/zinc/65/84/79/455658479.db2.gz MPNDJTJGTDSLGC-ULQDDVLXSA-N 2 2 333.476 3.248 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000185943763 455658485 /nfs/dbraw/zinc/65/84/85/455658485.db2.gz MPNDJTJGTDSLGC-ULQDDVLXSA-N 2 2 333.476 3.248 10 0 EGAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249862941 455778936 /nfs/dbraw/zinc/77/89/36/455778936.db2.gz GTSJZEPUCWXKAR-IRXDYDNUSA-N 2 2 338.455 3.151 10 0 EGAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249862941 455778939 /nfs/dbraw/zinc/77/89/39/455778939.db2.gz GTSJZEPUCWXKAR-IRXDYDNUSA-N 2 2 338.455 3.151 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252696156 455829102 /nfs/dbraw/zinc/82/91/02/455829102.db2.gz MYPXKOLKLMRJMX-HOJAQTOUSA-N 2 2 333.520 3.069 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000252696156 455829108 /nfs/dbraw/zinc/82/91/08/455829108.db2.gz MYPXKOLKLMRJMX-HOJAQTOUSA-N 2 2 333.520 3.069 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000253351280 455833222 /nfs/dbraw/zinc/83/32/22/455833222.db2.gz IYZOHWNCSARSJI-KSSFIOAISA-N 2 2 331.485 3.324 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000253351280 455833225 /nfs/dbraw/zinc/83/32/25/455833225.db2.gz IYZOHWNCSARSJI-KSSFIOAISA-N 2 2 331.485 3.324 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000261682002 455927057 /nfs/dbraw/zinc/92/70/57/455927057.db2.gz IEQGNXDKAOUZPL-YIONKMFJSA-N 2 2 335.879 3.110 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000261682002 455927062 /nfs/dbraw/zinc/92/70/62/455927062.db2.gz IEQGNXDKAOUZPL-YIONKMFJSA-N 2 2 335.879 3.110 10 0 EGAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582960 460701516 /nfs/dbraw/zinc/70/15/16/460701516.db2.gz KBBDDUPJBABJSM-HUUCEWRRSA-N 2 2 343.475 3.212 10 0 EGAELP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261716052 455933838 /nfs/dbraw/zinc/93/38/38/455933838.db2.gz KVRKZZKXLLUGMQ-HXUWFJFHSA-N 2 2 348.450 3.027 10 0 EGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000296434127 455937498 /nfs/dbraw/zinc/93/74/98/455937498.db2.gz YPECXJBXKSRZHY-UHFFFAOYSA-N 2 2 341.455 3.189 10 0 EGAELP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261954742 455977255 /nfs/dbraw/zinc/97/72/55/455977255.db2.gz NTKZYUKWLQPNHS-FOSCPWQOSA-N 2 2 342.270 3.147 10 0 EGAELP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261954742 455977261 /nfs/dbraw/zinc/97/72/61/455977261.db2.gz NTKZYUKWLQPNHS-FOSCPWQOSA-N 2 2 342.270 3.147 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271209572 456175314 /nfs/dbraw/zinc/17/53/14/456175314.db2.gz UQHIRJBZXRRADM-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP CCc1nnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174875 456201412 /nfs/dbraw/zinc/20/14/12/456201412.db2.gz PKAOBSBATSBUAB-HOCLYGCPSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000273174875 456201416 /nfs/dbraw/zinc/20/14/16/456201416.db2.gz PKAOBSBATSBUAB-HOCLYGCPSA-N 2 2 330.501 3.101 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCc1ccccc1 ZINC000237242898 456252758 /nfs/dbraw/zinc/25/27/58/456252758.db2.gz DEEKGOKJZJKFFZ-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCc1ccccc1 ZINC000237242898 456252761 /nfs/dbraw/zinc/25/27/61/456252761.db2.gz DEEKGOKJZJKFFZ-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP COc1ccc2oc(C[NH2+][C@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cc2c1 ZINC000275498245 456275865 /nfs/dbraw/zinc/27/58/65/456275865.db2.gz JMJKRAGJQOFCJT-IFXJQAMLSA-N 2 2 341.411 3.185 10 0 EGAELP CCC1(CC)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[S@]1=O ZINC000347759739 456354679 /nfs/dbraw/zinc/35/46/79/456354679.db2.gz VJYKOUMSWXXILS-JOCHJYFZSA-N 2 2 337.514 3.057 10 0 EGAELP CCC1(CC)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[S@]1=O ZINC000347759739 456354685 /nfs/dbraw/zinc/35/46/85/456354685.db2.gz VJYKOUMSWXXILS-JOCHJYFZSA-N 2 2 337.514 3.057 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000276476313 456493660 /nfs/dbraw/zinc/49/36/60/456493660.db2.gz ZNOZGEWENBYOPD-MJGOQNOKSA-N 2 2 349.438 3.210 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275371 456589821 /nfs/dbraw/zinc/58/98/21/456589821.db2.gz LIVCLORMMSVFHJ-WBVHZDCISA-N 2 2 340.471 3.461 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275371 456589826 /nfs/dbraw/zinc/58/98/26/456589826.db2.gz LIVCLORMMSVFHJ-WBVHZDCISA-N 2 2 340.471 3.461 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275371 456589830 /nfs/dbraw/zinc/58/98/30/456589830.db2.gz LIVCLORMMSVFHJ-WBVHZDCISA-N 2 2 340.471 3.461 10 0 EGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275371 456589836 /nfs/dbraw/zinc/58/98/36/456589836.db2.gz LIVCLORMMSVFHJ-WBVHZDCISA-N 2 2 340.471 3.461 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Br)c3cccnc23)c1 ZINC000313252424 456597120 /nfs/dbraw/zinc/59/71/20/456597120.db2.gz LJDLNFCZLQPRQQ-UHFFFAOYSA-N 2 2 345.244 3.063 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000343431693 456617344 /nfs/dbraw/zinc/61/73/44/456617344.db2.gz RJDNWTBMCZVHHL-JXFKEZNVSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000343431693 456617349 /nfs/dbraw/zinc/61/73/49/456617349.db2.gz RJDNWTBMCZVHHL-JXFKEZNVSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174451 456662170 /nfs/dbraw/zinc/66/21/70/456662170.db2.gz GDYZPSOWJMGQQX-DLBZAZTESA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174451 456662174 /nfs/dbraw/zinc/66/21/74/456662174.db2.gz GDYZPSOWJMGQQX-DLBZAZTESA-N 2 2 326.444 3.009 10 0 EGAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328622915 456722524 /nfs/dbraw/zinc/72/25/24/456722524.db2.gz BPMQILDVCGUYCC-QGZVFWFLSA-N 2 2 325.460 3.009 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000340926054 456765969 /nfs/dbraw/zinc/76/59/69/456765969.db2.gz VWWCEBMPBDNEHT-UHFFFAOYSA-N 2 2 346.338 3.459 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300422972 456783677 /nfs/dbraw/zinc/78/36/77/456783677.db2.gz WCCBKKOFCYTDSO-CJNGLKHVSA-N 2 2 325.294 3.454 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300422972 456783683 /nfs/dbraw/zinc/78/36/83/456783683.db2.gz WCCBKKOFCYTDSO-CJNGLKHVSA-N 2 2 325.294 3.454 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292153812 456870347 /nfs/dbraw/zinc/87/03/47/456870347.db2.gz NVBKANLGHLCBGC-UZLBHIALSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292153812 456870352 /nfs/dbraw/zinc/87/03/52/456870352.db2.gz NVBKANLGHLCBGC-UZLBHIALSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292153812 456870359 /nfs/dbraw/zinc/87/03/59/456870359.db2.gz NVBKANLGHLCBGC-UZLBHIALSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292153812 456870362 /nfs/dbraw/zinc/87/03/62/456870362.db2.gz NVBKANLGHLCBGC-UZLBHIALSA-N 2 2 329.488 3.165 10 0 EGAELP CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348829817 456873992 /nfs/dbraw/zinc/87/39/92/456873992.db2.gz AEXGXNCAGAFWML-UHFFFAOYSA-N 2 2 346.500 3.158 10 0 EGAELP CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348829817 456873995 /nfs/dbraw/zinc/87/39/95/456873995.db2.gz AEXGXNCAGAFWML-UHFFFAOYSA-N 2 2 346.500 3.158 10 0 EGAELP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000339077522 456929428 /nfs/dbraw/zinc/92/94/28/456929428.db2.gz RQGSNAHAFAQCFO-HNNXBMFYSA-N 2 2 349.906 3.030 10 0 EGAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000339077522 456929429 /nfs/dbraw/zinc/92/94/29/456929429.db2.gz RQGSNAHAFAQCFO-HNNXBMFYSA-N 2 2 349.906 3.030 10 0 EGAELP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000339077523 456929770 /nfs/dbraw/zinc/92/97/70/456929770.db2.gz RQGSNAHAFAQCFO-OAHLLOKOSA-N 2 2 349.906 3.030 10 0 EGAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)C1CC1 ZINC000339077523 456929776 /nfs/dbraw/zinc/92/97/76/456929776.db2.gz RQGSNAHAFAQCFO-OAHLLOKOSA-N 2 2 349.906 3.030 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)OC(C)C ZINC000349352808 456950632 /nfs/dbraw/zinc/95/06/32/456950632.db2.gz IBPQIWSBUFCNFH-QSFXBCCZSA-N 2 2 332.488 3.234 10 0 EGAELP COc1ccccc1[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)OC(C)C ZINC000349352808 456950634 /nfs/dbraw/zinc/95/06/34/456950634.db2.gz IBPQIWSBUFCNFH-QSFXBCCZSA-N 2 2 332.488 3.234 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000346291725 457028932 /nfs/dbraw/zinc/02/89/32/457028932.db2.gz HGGZBPRJVUDCMN-HNNXBMFYSA-N 2 2 334.423 3.359 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000346291725 457028935 /nfs/dbraw/zinc/02/89/35/457028935.db2.gz HGGZBPRJVUDCMN-HNNXBMFYSA-N 2 2 334.423 3.359 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226871 457143900 /nfs/dbraw/zinc/14/39/00/457143900.db2.gz XSHMQISLDMNCNQ-GOEBONIOSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226871 457143908 /nfs/dbraw/zinc/14/39/08/457143908.db2.gz XSHMQISLDMNCNQ-GOEBONIOSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354226871 457143914 /nfs/dbraw/zinc/14/39/14/457143914.db2.gz XSHMQISLDMNCNQ-GOEBONIOSA-N 2 2 332.467 3.500 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354226871 457143920 /nfs/dbraw/zinc/14/39/20/457143920.db2.gz XSHMQISLDMNCNQ-GOEBONIOSA-N 2 2 332.467 3.500 10 0 EGAELP COc1ccccc1N1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000354398200 457199673 /nfs/dbraw/zinc/19/96/73/457199673.db2.gz FVPZQEVYWKYUKX-SFHVURJKSA-N 2 2 325.456 3.200 10 0 EGAELP Cc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728399 457200118 /nfs/dbraw/zinc/20/01/18/457200118.db2.gz INJYMOUETNDEDL-HLLBOEOZSA-N 2 2 339.487 3.047 10 0 EGAELP Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728399 457200127 /nfs/dbraw/zinc/20/01/27/457200127.db2.gz INJYMOUETNDEDL-HLLBOEOZSA-N 2 2 339.487 3.047 10 0 EGAELP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021058 457506821 /nfs/dbraw/zinc/50/68/21/457506821.db2.gz PIKSQTKDJITBAV-OAHLLOKOSA-N 2 2 333.476 3.131 10 0 EGAELP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021058 457506826 /nfs/dbraw/zinc/50/68/26/457506826.db2.gz PIKSQTKDJITBAV-OAHLLOKOSA-N 2 2 333.476 3.131 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037711 457532012 /nfs/dbraw/zinc/53/20/12/457532012.db2.gz NPCUKKLJAVNFCC-PKOBYXMFSA-N 2 2 332.488 3.218 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000361037711 457532016 /nfs/dbraw/zinc/53/20/16/457532016.db2.gz NPCUKKLJAVNFCC-PKOBYXMFSA-N 2 2 332.488 3.218 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000374253035 457546209 /nfs/dbraw/zinc/54/62/09/457546209.db2.gz CVPFMXVNBKPEPD-USXIJHARSA-N 2 2 337.533 3.025 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000374253035 457546216 /nfs/dbraw/zinc/54/62/16/457546216.db2.gz CVPFMXVNBKPEPD-USXIJHARSA-N 2 2 337.533 3.025 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000361285543 457679159 /nfs/dbraw/zinc/67/91/59/457679159.db2.gz DIMXPJZYALGOCU-NVXWUHKLSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000361285543 457679161 /nfs/dbraw/zinc/67/91/61/457679161.db2.gz DIMXPJZYALGOCU-NVXWUHKLSA-N 2 2 342.487 3.101 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000361319568 457691244 /nfs/dbraw/zinc/69/12/44/457691244.db2.gz WHKBONYFYGFGQO-JOWJHRDDSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000361319568 457691246 /nfs/dbraw/zinc/69/12/46/457691246.db2.gz WHKBONYFYGFGQO-JOWJHRDDSA-N 2 2 347.528 3.356 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361348132 457701634 /nfs/dbraw/zinc/70/16/34/457701634.db2.gz HQFOHWANGJLOKF-CYBMUJFWSA-N 2 2 338.377 3.289 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000361348132 457701638 /nfs/dbraw/zinc/70/16/38/457701638.db2.gz HQFOHWANGJLOKF-CYBMUJFWSA-N 2 2 338.377 3.289 10 0 EGAELP COC[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000361378790 457711889 /nfs/dbraw/zinc/71/18/89/457711889.db2.gz SKUKNQWOVWYHRQ-ICSRJNTNSA-N 2 2 345.487 3.299 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077698 457753147 /nfs/dbraw/zinc/75/31/47/457753147.db2.gz SNBLOKMSKGSSNU-HKUYNNGSSA-N 2 2 328.500 3.039 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077698 457753152 /nfs/dbraw/zinc/75/31/52/457753152.db2.gz SNBLOKMSKGSSNU-HKUYNNGSSA-N 2 2 328.500 3.039 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000358122521 457799695 /nfs/dbraw/zinc/79/96/95/457799695.db2.gz UQQIKXHFVPDOBP-UHFFFAOYSA-N 2 2 330.863 3.472 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000358122521 457799705 /nfs/dbraw/zinc/79/97/05/457799705.db2.gz UQQIKXHFVPDOBP-UHFFFAOYSA-N 2 2 330.863 3.472 10 0 EGAELP c1cn(CCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c[nH+]1 ZINC000426503407 457844192 /nfs/dbraw/zinc/84/41/92/457844192.db2.gz DIDJCAPGMDEGLS-KSZLIROESA-N 2 2 349.438 3.202 10 0 EGAELP c1cn(CCc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c[nH+]1 ZINC000426503407 457844202 /nfs/dbraw/zinc/84/42/02/457844202.db2.gz DIDJCAPGMDEGLS-KSZLIROESA-N 2 2 349.438 3.202 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549934 457848900 /nfs/dbraw/zinc/84/89/00/457848900.db2.gz DVSBGZFEZOFNDK-IIBYNOLFSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549934 457848909 /nfs/dbraw/zinc/84/89/09/457848909.db2.gz DVSBGZFEZOFNDK-IIBYNOLFSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366549934 457848917 /nfs/dbraw/zinc/84/89/17/457848917.db2.gz DVSBGZFEZOFNDK-IIBYNOLFSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366549934 457848922 /nfs/dbraw/zinc/84/89/22/457848922.db2.gz DVSBGZFEZOFNDK-IIBYNOLFSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549933 457849727 /nfs/dbraw/zinc/84/97/27/457849727.db2.gz DVSBGZFEZOFNDK-IERDGZPVSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549933 457849731 /nfs/dbraw/zinc/84/97/31/457849731.db2.gz DVSBGZFEZOFNDK-IERDGZPVSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366549933 457849740 /nfs/dbraw/zinc/84/97/40/457849740.db2.gz DVSBGZFEZOFNDK-IERDGZPVSA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366549933 457849741 /nfs/dbraw/zinc/84/97/41/457849741.db2.gz DVSBGZFEZOFNDK-IERDGZPVSA-N 2 2 343.515 3.166 10 0 EGAELP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)c[nH+]1 ZINC000371321128 457864994 /nfs/dbraw/zinc/86/49/94/457864994.db2.gz ODAXPAHWHUXKTB-GOSISDBHSA-N 2 2 344.503 3.240 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000371346873 457877676 /nfs/dbraw/zinc/87/76/76/457877676.db2.gz AQZQZDWDSKBMIK-JXFKEZNVSA-N 2 2 336.483 3.149 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@H+]1Cc1ccccc1 ZINC000371346873 457877682 /nfs/dbraw/zinc/87/76/82/457877682.db2.gz AQZQZDWDSKBMIK-JXFKEZNVSA-N 2 2 336.483 3.149 10 0 EGAELP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427893846 458047989 /nfs/dbraw/zinc/04/79/89/458047989.db2.gz JRIVOBHLWCQPEA-WFASDCNBSA-N 2 2 336.361 3.279 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445821761 458095766 /nfs/dbraw/zinc/09/57/66/458095766.db2.gz ZNWLJZYSEBCCNI-HXUWFJFHSA-N 2 2 338.499 3.095 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445821761 458095772 /nfs/dbraw/zinc/09/57/72/458095772.db2.gz ZNWLJZYSEBCCNI-HXUWFJFHSA-N 2 2 338.499 3.095 10 0 EGAELP CCc1cnc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000358654474 458132777 /nfs/dbraw/zinc/13/27/77/458132777.db2.gz UNFDAIAYXSVBTR-UHFFFAOYSA-N 2 2 335.439 3.254 10 0 EGAELP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016956 458256879 /nfs/dbraw/zinc/25/68/79/458256879.db2.gz DREPESNDZLGSAV-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016956 458256884 /nfs/dbraw/zinc/25/68/84/458256884.db2.gz DREPESNDZLGSAV-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016956 458256888 /nfs/dbraw/zinc/25/68/88/458256888.db2.gz DREPESNDZLGSAV-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016956 458256898 /nfs/dbraw/zinc/25/68/98/458256898.db2.gz DREPESNDZLGSAV-MRXNPFEDSA-N 2 2 329.271 3.400 10 0 EGAELP COCc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000459430616 458368584 /nfs/dbraw/zinc/36/85/84/458368584.db2.gz LFHLXSDIGIIDCO-DYVFJYSZSA-N 2 2 335.473 3.055 10 0 EGAELP COCc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459430616 458368586 /nfs/dbraw/zinc/36/85/86/458368586.db2.gz LFHLXSDIGIIDCO-DYVFJYSZSA-N 2 2 335.473 3.055 10 0 EGAELP COc1ccccc1-c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000430226383 458424652 /nfs/dbraw/zinc/42/46/52/458424652.db2.gz ORIJVISTPJXGNK-WBVHZDCISA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000430226383 458424657 /nfs/dbraw/zinc/42/46/57/458424657.db2.gz ORIJVISTPJXGNK-WBVHZDCISA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000430226383 458424661 /nfs/dbraw/zinc/42/46/61/458424661.db2.gz ORIJVISTPJXGNK-WBVHZDCISA-N 2 2 340.471 3.067 10 0 EGAELP COc1ccccc1-c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000430226383 458424663 /nfs/dbraw/zinc/42/46/63/458424663.db2.gz ORIJVISTPJXGNK-WBVHZDCISA-N 2 2 340.471 3.067 10 0 EGAELP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663287 458440001 /nfs/dbraw/zinc/44/00/01/458440001.db2.gz WTVWMGNUIKHCSQ-QFBILLFUSA-N 3 2 326.488 3.467 10 0 EGAELP CC(C)n1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000377042573 458447252 /nfs/dbraw/zinc/44/72/52/458447252.db2.gz VTNWBIQJBKRLRV-KRWDZBQOSA-N 2 2 333.524 3.336 10 0 EGAELP CC(C)n1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000377042573 458447258 /nfs/dbraw/zinc/44/72/58/458447258.db2.gz VTNWBIQJBKRLRV-KRWDZBQOSA-N 2 2 333.524 3.336 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423561106 458457426 /nfs/dbraw/zinc/45/74/26/458457426.db2.gz PSZBEHLTNXYQDK-YJBOKZPZSA-N 2 2 332.492 3.353 10 0 EGAELP Fc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373486544 458506367 /nfs/dbraw/zinc/50/63/67/458506367.db2.gz SFMPTSQJJALMKT-UHFFFAOYSA-N 2 2 331.357 3.116 10 0 EGAELP Oc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373483645 458506688 /nfs/dbraw/zinc/50/66/88/458506688.db2.gz JUTQBLUNJRGSMG-UHFFFAOYSA-N 2 2 328.378 3.287 10 0 EGAELP CC[N@H+](CCCNC(=O)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000431632311 458598781 /nfs/dbraw/zinc/59/87/81/458598781.db2.gz XBRPPSVMSBKMFS-SFHVURJKSA-N 2 2 331.504 3.284 10 0 EGAELP CC[N@@H+](CCCNC(=O)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000431632311 458598785 /nfs/dbraw/zinc/59/87/85/458598785.db2.gz XBRPPSVMSBKMFS-SFHVURJKSA-N 2 2 331.504 3.284 10 0 EGAELP CC[NH+](CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431632311 458598792 /nfs/dbraw/zinc/59/87/92/458598792.db2.gz XBRPPSVMSBKMFS-SFHVURJKSA-N 2 2 331.504 3.284 10 0 EGAELP CC[NH+](CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431632311 458598797 /nfs/dbraw/zinc/59/87/97/458598797.db2.gz XBRPPSVMSBKMFS-SFHVURJKSA-N 2 2 331.504 3.284 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3Cn3cc[nH+]c3)C[C@H]2C1 ZINC000424268166 458599563 /nfs/dbraw/zinc/59/95/63/458599563.db2.gz ZISUXKUPHDMGIT-FGYAAKKASA-N 2 2 325.456 3.225 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH+]4CCSCC4)CCCC3)C[C@H]2C1 ZINC000424274176 458600672 /nfs/dbraw/zinc/60/06/72/458600672.db2.gz YHENTLYQYVPCNN-KNCDZKKRSA-N 2 2 338.561 3.141 10 0 EGAELP C[NH+](C)CC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000494326585 458659153 /nfs/dbraw/zinc/65/91/53/458659153.db2.gz GCNQRUTXXRYXHZ-UHFFFAOYSA-N 2 2 326.444 3.323 10 0 EGAELP C[NH+](C)Cc1cc(NC(=O)Cn2c[nH+]c3c2CCCC3)ccc1Cl ZINC000546714474 458663568 /nfs/dbraw/zinc/66/35/68/458663568.db2.gz KUCFIHHNRSIYNC-UHFFFAOYSA-N 2 2 346.862 3.116 10 0 EGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218138 458719486 /nfs/dbraw/zinc/71/94/86/458719486.db2.gz VTEMVMCXLNJHLE-CMPLNLGQSA-N 2 2 327.291 3.372 10 0 EGAELP C[N@H+](Cc1ccc(Br)c(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC000530219751 458721862 /nfs/dbraw/zinc/72/18/62/458721862.db2.gz QFXOYDSZDVLOTG-NSHDSACASA-N 2 2 333.220 3.301 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC000530219751 458721868 /nfs/dbraw/zinc/72/18/68/458721868.db2.gz QFXOYDSZDVLOTG-NSHDSACASA-N 2 2 333.220 3.301 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@H]32)cc1 ZINC000530217229 458720366 /nfs/dbraw/zinc/72/03/66/458720366.db2.gz SJNRGUQCOSCOSF-UWHLTILDSA-N 3 2 339.527 3.304 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@H]32)cc1 ZINC000530217229 458720373 /nfs/dbraw/zinc/72/03/73/458720373.db2.gz SJNRGUQCOSCOSF-UWHLTILDSA-N 3 2 339.527 3.304 10 0 EGAELP Fc1c(Br)ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC000530224766 458723030 /nfs/dbraw/zinc/72/30/30/458723030.db2.gz YGLQCQIMDGYMMR-UHFFFAOYSA-N 2 2 345.231 3.303 10 0 EGAELP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[NH+](C)C)cc1 ZINC000495027092 458785401 /nfs/dbraw/zinc/78/54/01/458785401.db2.gz KNPCWHDSNQXJRN-RTBURBONSA-N 2 2 345.531 3.135 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322598 458857583 /nfs/dbraw/zinc/85/75/83/458857583.db2.gz UCAYDAOSBSVVOA-QZTJIDSGSA-N 2 2 349.438 3.210 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000518322598 458857588 /nfs/dbraw/zinc/85/75/88/458857588.db2.gz UCAYDAOSBSVVOA-QZTJIDSGSA-N 2 2 349.438 3.210 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959302 /nfs/dbraw/zinc/95/93/02/458959302.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959306 /nfs/dbraw/zinc/95/93/06/458959306.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959311 /nfs/dbraw/zinc/95/93/11/458959311.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959318 /nfs/dbraw/zinc/95/93/18/458959318.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 3 2 329.532 3.204 10 0 EGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442712313 459025927 /nfs/dbraw/zinc/02/59/27/459025927.db2.gz URJSJWIQBJRTOJ-ZWKOTPCHSA-N 2 2 333.479 3.398 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448161 459090115 /nfs/dbraw/zinc/09/01/15/459090115.db2.gz NEEQYKNDTQWHHN-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000532448161 459090118 /nfs/dbraw/zinc/09/01/18/459090118.db2.gz NEEQYKNDTQWHHN-IUODEOHRSA-N 2 2 325.294 3.266 10 0 EGAELP FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000578260101 459171970 /nfs/dbraw/zinc/17/19/70/459171970.db2.gz LFJACWRKSJBZMP-CYBMUJFWSA-N 2 2 345.390 3.477 10 0 EGAELP FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000578260101 459171973 /nfs/dbraw/zinc/17/19/73/459171973.db2.gz LFJACWRKSJBZMP-CYBMUJFWSA-N 2 2 345.390 3.477 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000559745062 459275942 /nfs/dbraw/zinc/27/59/42/459275942.db2.gz IXBHHVLRYWWHSJ-JTQLQIEISA-N 2 2 330.379 3.193 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000559745062 459275947 /nfs/dbraw/zinc/27/59/47/459275947.db2.gz IXBHHVLRYWWHSJ-JTQLQIEISA-N 2 2 330.379 3.193 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869123 459460212 /nfs/dbraw/zinc/46/02/12/459460212.db2.gz LGHXTGDFIKCMSC-OAHLLOKOSA-N 2 2 327.407 3.229 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869123 459460215 /nfs/dbraw/zinc/46/02/15/459460215.db2.gz LGHXTGDFIKCMSC-OAHLLOKOSA-N 2 2 327.407 3.229 10 0 EGAELP CCCCc1[nH]c2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2[nH+]1 ZINC000583207396 459501278 /nfs/dbraw/zinc/50/12/78/459501278.db2.gz XQIBWAITIMXFBP-UHFFFAOYSA-N 2 2 344.459 3.131 10 0 EGAELP CC[NH+](CC)Cc1cccc(CNc2cc(CC(=O)OC)cc[nH+]2)c1 ZINC000596080697 459512930 /nfs/dbraw/zinc/51/29/30/459512930.db2.gz KTDGCMCODZOKFJ-UHFFFAOYSA-N 2 2 341.455 3.251 10 0 EGAELP CC(C)C[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543065468 459620490 /nfs/dbraw/zinc/62/04/90/459620490.db2.gz PRUDGUKZPWQOFE-HNNXBMFYSA-N 2 2 330.476 3.284 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000543238058 459636932 /nfs/dbraw/zinc/63/69/32/459636932.db2.gz GSAHGZWTSLCESK-UHFFFAOYSA-N 2 2 342.472 3.015 10 0 EGAELP CC[N@H+](C[C@@H](C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527365892 459637435 /nfs/dbraw/zinc/63/74/35/459637435.db2.gz PAKDXQCCZDWVFY-MRXNPFEDSA-N 2 2 348.535 3.482 10 0 EGAELP CC[N@@H+](C[C@@H](C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000527365892 459637439 /nfs/dbraw/zinc/63/74/39/459637439.db2.gz PAKDXQCCZDWVFY-MRXNPFEDSA-N 2 2 348.535 3.482 10 0 EGAELP Fc1cc(Br)cnc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000527648189 459684109 /nfs/dbraw/zinc/68/41/09/459684109.db2.gz FCTAEIQJNJHXES-UHFFFAOYSA-N 2 2 342.256 3.090 10 0 EGAELP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)COc2ccccc2O1 ZINC000527733836 459717091 /nfs/dbraw/zinc/71/70/91/459717091.db2.gz GXZMOKVNQIVYQF-HXUWFJFHSA-N 2 2 335.407 3.192 10 0 EGAELP COC(=O)c1oc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000597042747 459822907 /nfs/dbraw/zinc/82/29/07/459822907.db2.gz GSILOHUXXVPNDW-UHFFFAOYSA-N 2 2 342.439 3.129 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613902 459994659 /nfs/dbraw/zinc/99/46/59/459994659.db2.gz PYQIRRRWGAKXIW-DOTOQJQBSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613902 459994665 /nfs/dbraw/zinc/99/46/65/459994665.db2.gz PYQIRRRWGAKXIW-DOTOQJQBSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613902 459994669 /nfs/dbraw/zinc/99/46/69/459994669.db2.gz PYQIRRRWGAKXIW-DOTOQJQBSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613902 459994675 /nfs/dbraw/zinc/99/46/75/459994675.db2.gz PYQIRRRWGAKXIW-DOTOQJQBSA-N 2 2 348.487 3.461 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718616 460025186 /nfs/dbraw/zinc/02/51/86/460025186.db2.gz NYKYAAJIBQGWQV-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718616 460025189 /nfs/dbraw/zinc/02/51/89/460025189.db2.gz NYKYAAJIBQGWQV-FQEVSTJZSA-N 2 2 340.515 3.290 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719378 460025559 /nfs/dbraw/zinc/02/55/59/460025559.db2.gz KYCOFGPBCZMWOX-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719378 460025566 /nfs/dbraw/zinc/02/55/66/460025566.db2.gz KYCOFGPBCZMWOX-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719378 460025589 /nfs/dbraw/zinc/02/55/89/460025589.db2.gz KYCOFGPBCZMWOX-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnn3CCc3ccccc3)CC[C@@H]21 ZINC000621719378 460025598 /nfs/dbraw/zinc/02/55/98/460025598.db2.gz KYCOFGPBCZMWOX-CTNGQTDRSA-N 2 2 338.499 3.042 10 0 EGAELP CCN1CC[NH+](C[C@H](C)CNc2[nH+]ccc3c(C)cccc32)CC1 ZINC000576033027 460056188 /nfs/dbraw/zinc/05/61/88/460056188.db2.gz HJDACPZHBJFUQN-MRXNPFEDSA-N 2 2 326.488 3.229 10 0 EGAELP CC[NH+]1CCN(C[C@H](C)CNc2[nH+]ccc3c(C)cccc32)CC1 ZINC000576033027 460056191 /nfs/dbraw/zinc/05/61/91/460056191.db2.gz HJDACPZHBJFUQN-MRXNPFEDSA-N 2 2 326.488 3.229 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000625268759 460099784 /nfs/dbraw/zinc/09/97/84/460099784.db2.gz QNOJYCKCCOEIKJ-QGZVFWFLSA-N 2 2 343.471 3.005 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000625268759 460099792 /nfs/dbraw/zinc/09/97/92/460099792.db2.gz QNOJYCKCCOEIKJ-QGZVFWFLSA-N 2 2 343.471 3.005 10 0 EGAELP Cc1cccn2c(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c[nH+]c12 ZINC000619013174 460248905 /nfs/dbraw/zinc/24/89/05/460248905.db2.gz MKISOEFHEMXFNF-UHFFFAOYSA-N 2 2 334.423 3.491 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000619554482 460383007 /nfs/dbraw/zinc/38/30/07/460383007.db2.gz JCZZZZKLLLQEOY-CEXWTWQISA-N 2 2 344.499 3.361 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000619554482 460383014 /nfs/dbraw/zinc/38/30/14/460383014.db2.gz JCZZZZKLLLQEOY-CEXWTWQISA-N 2 2 344.499 3.361 10 0 EGAELP Cn1nc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccccc21 ZINC000604417186 460425404 /nfs/dbraw/zinc/42/54/04/460425404.db2.gz LEHUJGPYEPLDMM-UHFFFAOYSA-N 2 2 326.419 3.064 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000619771253 460439419 /nfs/dbraw/zinc/43/94/19/460439419.db2.gz WOJCYXWOFPQXKN-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000619771253 460439425 /nfs/dbraw/zinc/43/94/25/460439425.db2.gz WOJCYXWOFPQXKN-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C[NH2+]1 ZINC000629411922 460749027 /nfs/dbraw/zinc/74/90/27/460749027.db2.gz IULWCPVFJGKLBS-MWLCHTKSSA-N 2 2 349.219 3.281 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629416725 460751901 /nfs/dbraw/zinc/75/19/01/460751901.db2.gz UYMWELYVCDOWCG-MFKMUULPSA-N 2 2 329.307 3.401 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000629526490 460795293 /nfs/dbraw/zinc/79/52/93/460795293.db2.gz WHVKLHGLKPWAOO-LEWSCRJBSA-N 2 2 327.266 3.249 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659621 460853144 /nfs/dbraw/zinc/85/31/44/460853144.db2.gz DDWCNUZSAKTAOG-CXAGYDPISA-N 2 2 346.906 3.432 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OCc1ccccc1 ZINC000629672939 460860603 /nfs/dbraw/zinc/86/06/03/460860603.db2.gz STPODDJSWZFPAR-MAUKXSAKSA-N 2 2 326.440 3.114 10 0 EGAELP Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2[nH+]ccn2c1 ZINC000624166114 460892686 /nfs/dbraw/zinc/89/26/86/460892686.db2.gz SOBRAPIIKBWUQF-HZPDHXFCSA-N 2 2 342.487 3.131 10 0 EGAELP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755580 460900341 /nfs/dbraw/zinc/90/03/41/460900341.db2.gz VBSQHHYCZMFEPE-FGZHOGPDSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607755580 460900348 /nfs/dbraw/zinc/90/03/48/460900348.db2.gz VBSQHHYCZMFEPE-FGZHOGPDSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607755580 460900354 /nfs/dbraw/zinc/90/03/54/460900354.db2.gz VBSQHHYCZMFEPE-FGZHOGPDSA-N 2 2 340.511 3.432 10 0 EGAELP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607755580 460900363 /nfs/dbraw/zinc/90/03/63/460900363.db2.gz VBSQHHYCZMFEPE-FGZHOGPDSA-N 2 2 340.511 3.432 10 0 EGAELP Cc1c[nH+]c(CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)c(C)c1 ZINC000624373221 460980307 /nfs/dbraw/zinc/98/03/07/460980307.db2.gz HRYJBYASADWGSF-UHFFFAOYSA-N 2 2 345.450 3.085 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022455 460999300 /nfs/dbraw/zinc/99/93/00/460999300.db2.gz HEOYOFBXDZSWFB-FUHWJXTLSA-N 2 2 344.434 3.019 10 0 EGAELP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000630022455 460999308 /nfs/dbraw/zinc/99/93/08/460999308.db2.gz HEOYOFBXDZSWFB-FUHWJXTLSA-N 2 2 344.434 3.019 10 0 EGAELP Cc1cc(-c2c[nH+]c(C(C)C)n2C)ccc1OCC[NH+]1CCOCC1 ZINC000630051195 461011430 /nfs/dbraw/zinc/01/14/30/461011430.db2.gz NCRSOSMSGFZHEW-UHFFFAOYSA-N 2 2 343.471 3.230 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608561986 461084406 /nfs/dbraw/zinc/08/44/06/461084406.db2.gz DUFPVKXHZZSHAA-IBGZPJMESA-N 2 2 348.535 3.441 10 0 EGAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608561986 461084409 /nfs/dbraw/zinc/08/44/09/461084409.db2.gz DUFPVKXHZZSHAA-IBGZPJMESA-N 2 2 348.535 3.441 10 0 EGAELP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662257984 461148626 /nfs/dbraw/zinc/14/86/26/461148626.db2.gz RTRKKBUVIQEJKV-CVEARBPZSA-N 2 2 328.378 3.221 10 0 EGAELP FC(F)(F)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662257984 461148634 /nfs/dbraw/zinc/14/86/34/461148634.db2.gz RTRKKBUVIQEJKV-CVEARBPZSA-N 2 2 328.378 3.221 10 0 EGAELP Clc1cc(Br)cnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662272620 461160919 /nfs/dbraw/zinc/16/09/19/461160919.db2.gz GLEJZUQSMYRKCY-UHFFFAOYSA-N 2 2 344.684 3.073 10 0 EGAELP Cc1c2cc(F)ccc2oc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701424 461374563 /nfs/dbraw/zinc/37/45/63/461374563.db2.gz WLQPYXKVXGTRHZ-MRXNPFEDSA-N 2 2 332.419 3.223 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H]1c1cccs1 ZINC000655743431 461409892 /nfs/dbraw/zinc/40/98/92/461409892.db2.gz IFKMTWRTMGUGJS-KXBFYZLASA-N 2 2 344.528 3.454 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H]1c1cccs1 ZINC000655743431 461409897 /nfs/dbraw/zinc/40/98/97/461409897.db2.gz IFKMTWRTMGUGJS-KXBFYZLASA-N 2 2 344.528 3.454 10 0 EGAELP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655768401 461432973 /nfs/dbraw/zinc/43/29/73/461432973.db2.gz YAAHQIANJBIDNU-YZGWKJHDSA-N 2 2 344.499 3.075 10 0 EGAELP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784810 461434447 /nfs/dbraw/zinc/43/44/47/461434447.db2.gz IOXNDCIYBPJWIV-KDOFPFPSSA-N 2 2 326.431 3.111 10 0 EGAELP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000668784810 461434451 /nfs/dbraw/zinc/43/44/51/461434451.db2.gz IOXNDCIYBPJWIV-KDOFPFPSSA-N 2 2 326.431 3.111 10 0 EGAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccncc3)C3(CO)CCC3)n2c1 ZINC000668819053 461451117 /nfs/dbraw/zinc/45/11/17/461451117.db2.gz VKPNESBFFFPNBX-IBGZPJMESA-N 2 2 336.439 3.031 10 0 EGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000647249239 461587830 /nfs/dbraw/zinc/58/78/30/461587830.db2.gz LYILJGIDXNYDKX-KNQAVFIVSA-N 2 2 346.478 3.307 10 0 EGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000647249239 461587833 /nfs/dbraw/zinc/58/78/33/461587833.db2.gz LYILJGIDXNYDKX-KNQAVFIVSA-N 2 2 346.478 3.307 10 0 EGAELP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC000647281216 461608389 /nfs/dbraw/zinc/60/83/89/461608389.db2.gz CDADQSXWINIFRM-KRWDZBQOSA-N 2 2 326.488 3.392 10 0 EGAELP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC000647281216 461608401 /nfs/dbraw/zinc/60/84/01/461608401.db2.gz CDADQSXWINIFRM-KRWDZBQOSA-N 2 2 326.488 3.392 10 0 EGAELP CC(C)c1nc2[nH]ccc2c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000631183565 461621520 /nfs/dbraw/zinc/62/15/20/461621520.db2.gz JAKAJFNZPPAFFK-OAHLLOKOSA-N 2 2 327.476 3.249 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189761 461625476 /nfs/dbraw/zinc/62/54/76/461625476.db2.gz CEPJQASOPGIPIN-HUUCEWRRSA-N 2 2 330.394 3.201 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000631189761 461625483 /nfs/dbraw/zinc/62/54/83/461625483.db2.gz CEPJQASOPGIPIN-HUUCEWRRSA-N 2 2 330.394 3.201 10 0 EGAELP CC[N@H+](CCC1CCN(c2nc[nH+]c(C)c2OC)CC1)CC1CC1 ZINC000656151952 461626958 /nfs/dbraw/zinc/62/69/58/461626958.db2.gz SMOAIHABOPPHGF-UHFFFAOYSA-N 2 2 332.492 3.132 10 0 EGAELP CC[N@@H+](CCC1CCN(c2nc[nH+]c(C)c2OC)CC1)CC1CC1 ZINC000656151952 461626968 /nfs/dbraw/zinc/62/69/68/461626968.db2.gz SMOAIHABOPPHGF-UHFFFAOYSA-N 2 2 332.492 3.132 10 0 EGAELP c1ccc(N2CCC([NH2+]C[C@H]3CSc4ccccc4O3)CC2)[nH+]c1 ZINC000647314144 461630060 /nfs/dbraw/zinc/63/00/60/461630060.db2.gz ZRJUVODIIXBNKX-INIZCTEOSA-N 2 2 341.480 3.193 10 0 EGAELP COCc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631196285 461637707 /nfs/dbraw/zinc/63/77/07/461637707.db2.gz PYQDKHUTPKLMKW-NVXWUHKLSA-N 2 2 345.512 3.147 10 0 EGAELP COCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631196285 461637714 /nfs/dbraw/zinc/63/77/14/461637714.db2.gz PYQDKHUTPKLMKW-NVXWUHKLSA-N 2 2 345.512 3.147 10 0 EGAELP Cc1[nH+]cc(CN[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000631204716 461640624 /nfs/dbraw/zinc/64/06/24/461640624.db2.gz DIKFQVWZGYOALW-LJQANCHMSA-N 2 2 326.488 3.263 10 0 EGAELP Cc1[nH+]cc(CN[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000631204716 461640628 /nfs/dbraw/zinc/64/06/28/461640628.db2.gz DIKFQVWZGYOALW-LJQANCHMSA-N 2 2 326.488 3.263 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cn21 ZINC000647364379 461659275 /nfs/dbraw/zinc/65/92/75/461659275.db2.gz ZBSVBHJGIFSEOD-YTQUADARSA-N 2 2 327.472 3.370 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900954 461876138 /nfs/dbraw/zinc/87/61/38/461876138.db2.gz HXPUIXMICBEUMS-CGBFIWBNSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900954 461876148 /nfs/dbraw/zinc/87/61/48/461876148.db2.gz HXPUIXMICBEUMS-CGBFIWBNSA-N 2 2 343.515 3.025 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903555 461878234 /nfs/dbraw/zinc/87/82/34/461878234.db2.gz LSTLNLTWALYCRO-DOTOQJQBSA-N 2 2 325.456 3.123 10 0 EGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903555 461878239 /nfs/dbraw/zinc/87/82/39/461878239.db2.gz LSTLNLTWALYCRO-DOTOQJQBSA-N 2 2 325.456 3.123 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903543 461879115 /nfs/dbraw/zinc/87/91/15/461879115.db2.gz LOENCLJLPULJCR-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903543 461879121 /nfs/dbraw/zinc/87/91/21/461879121.db2.gz LOENCLJLPULJCR-JENIJYKNSA-N 2 2 329.488 3.094 10 0 EGAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000650704894 461898045 /nfs/dbraw/zinc/89/80/45/461898045.db2.gz IQIHYQNPVIFOJB-UHFFFAOYSA-N 2 2 337.514 3.072 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(CC)s2)cc1 ZINC000656790284 461898919 /nfs/dbraw/zinc/89/89/19/461898919.db2.gz NRELJMZGXQDZNV-ROUUACIJSA-N 2 2 345.512 3.340 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000656790281 461900050 /nfs/dbraw/zinc/90/00/50/461900050.db2.gz NNYSWERYDYUZEM-SFTDATJTSA-N 2 2 340.467 3.329 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccnc2C)cc1 ZINC000656790506 461900792 /nfs/dbraw/zinc/90/07/92/461900792.db2.gz WHPIDVWCIWHQMW-PMACEKPBSA-N 2 2 325.456 3.024 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991497 461927319 /nfs/dbraw/zinc/92/73/19/461927319.db2.gz CLOBTPDVEOBACW-SFHVURJKSA-N 3 2 330.520 3.179 10 0 EGAELP c1[nH+]c([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991497 461927325 /nfs/dbraw/zinc/92/73/25/461927325.db2.gz CLOBTPDVEOBACW-SFHVURJKSA-N 3 2 330.520 3.179 10 0 EGAELP Cc1ccc2cc(C[NH2+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000657337889 462056427 /nfs/dbraw/zinc/05/64/27/462056427.db2.gz KQKOOFNATPBBHF-UHFFFAOYSA-N 3 2 340.515 3.125 10 0 EGAELP CC[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CO1 ZINC000657369867 462078037 /nfs/dbraw/zinc/07/80/37/462078037.db2.gz HTNBZNFGQWXBON-BHIYHBOVSA-N 2 2 332.488 3.044 10 0 EGAELP COc1ccccc1C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667498858 462113982 /nfs/dbraw/zinc/11/39/82/462113982.db2.gz VGZVBUQWBREEAG-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP COc1ccccc1C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667498858 462113985 /nfs/dbraw/zinc/11/39/85/462113985.db2.gz VGZVBUQWBREEAG-UHFFFAOYSA-N 2 2 334.423 3.441 10 0 EGAELP CC(C)(C)Oc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cn1 ZINC000657428873 462116705 /nfs/dbraw/zinc/11/67/05/462116705.db2.gz CGSDRERKIGWXLM-UHFFFAOYSA-N 2 2 337.427 3.129 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC000651195497 462129329 /nfs/dbraw/zinc/12/93/29/462129329.db2.gz PFQINRSJQFPFFU-QGZVFWFLSA-N 2 2 349.523 3.118 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651195497 462129333 /nfs/dbraw/zinc/12/93/33/462129333.db2.gz PFQINRSJQFPFFU-QGZVFWFLSA-N 2 2 349.523 3.118 10 0 EGAELP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cn2)cc1 ZINC000657468725 462142612 /nfs/dbraw/zinc/14/26/12/462142612.db2.gz BMXUMYCFJQKOQD-OAHLLOKOSA-N 2 2 338.386 3.383 10 0 EGAELP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cn2)cc1 ZINC000657468725 462142615 /nfs/dbraw/zinc/14/26/15/462142615.db2.gz BMXUMYCFJQKOQD-OAHLLOKOSA-N 2 2 338.386 3.383 10 0 EGAELP CCC[N@@H+]1Cc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2C1 ZINC000651237392 462149743 /nfs/dbraw/zinc/14/97/43/462149743.db2.gz MAYQJDSHKDERGV-UHFFFAOYSA-N 2 2 338.455 3.126 10 0 EGAELP CCC[N@H+]1Cc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2C1 ZINC000651237392 462149752 /nfs/dbraw/zinc/14/97/52/462149752.db2.gz MAYQJDSHKDERGV-UHFFFAOYSA-N 2 2 338.455 3.126 10 0 EGAELP CC[N@H+](CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657499755 462157833 /nfs/dbraw/zinc/15/78/33/462157833.db2.gz CRPMYRJCFZAZGZ-UHFFFAOYSA-N 3 2 341.503 3.402 10 0 EGAELP CC[N@@H+](CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657499755 462157838 /nfs/dbraw/zinc/15/78/38/462157838.db2.gz CRPMYRJCFZAZGZ-UHFFFAOYSA-N 3 2 341.503 3.402 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657522243 462165922 /nfs/dbraw/zinc/16/59/22/462165922.db2.gz BRXKOMGXCPSERC-INIZCTEOSA-N 2 2 328.460 3.048 10 0 EGAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657522243 462165928 /nfs/dbraw/zinc/16/59/28/462165928.db2.gz BRXKOMGXCPSERC-INIZCTEOSA-N 2 2 328.460 3.048 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000657523471 462166130 /nfs/dbraw/zinc/16/61/30/462166130.db2.gz JOZZIZDGIDFZFP-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1Br ZINC000657523471 462166133 /nfs/dbraw/zinc/16/61/33/462166133.db2.gz JOZZIZDGIDFZFP-ZDUSSCGKSA-N 2 2 341.293 3.420 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526478 462167799 /nfs/dbraw/zinc/16/77/99/462167799.db2.gz IJRJPYAWJHGCMN-SFHVURJKSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526478 462167807 /nfs/dbraw/zinc/16/78/07/462167807.db2.gz IJRJPYAWJHGCMN-SFHVURJKSA-N 2 2 330.451 3.282 10 0 EGAELP Cc1noc(C)c1C[NH+]1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000645118678 462186830 /nfs/dbraw/zinc/18/68/30/462186830.db2.gz VHOZXXBYHAHMIO-UHFFFAOYSA-N 2 2 336.439 3.470 10 0 EGAELP OC(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)(C1CC1)C1CC1 ZINC000657699284 462234976 /nfs/dbraw/zinc/23/49/76/462234976.db2.gz HDVFSBNCKHWQCL-UHFFFAOYSA-N 2 2 348.918 3.445 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657719110 462241104 /nfs/dbraw/zinc/24/11/04/462241104.db2.gz IXDLQIOZMYBWLN-UHFFFAOYSA-N 2 2 327.457 3.225 10 0 EGAELP COc1ccccc1-c1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)on1 ZINC000657815237 462280571 /nfs/dbraw/zinc/28/05/71/462280571.db2.gz NNERKJPMHDMGJL-UHFFFAOYSA-N 2 2 338.411 3.101 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657903167 462313452 /nfs/dbraw/zinc/31/34/52/462313452.db2.gz DQJOLNFUWOPIKC-QMMLZNLJSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657903167 462313456 /nfs/dbraw/zinc/31/34/56/462313456.db2.gz DQJOLNFUWOPIKC-QMMLZNLJSA-N 2 2 346.515 3.071 10 0 EGAELP COC1([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000657998751 462342709 /nfs/dbraw/zinc/34/27/09/462342709.db2.gz ORKSDXXIHYTIIB-LRVUVFPRSA-N 2 2 334.426 3.339 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055435 462359795 /nfs/dbraw/zinc/35/97/95/462359795.db2.gz IWHOMYIVNNOSFY-KSSFIOAISA-N 2 2 344.503 3.494 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055435 462359800 /nfs/dbraw/zinc/35/98/00/462359800.db2.gz IWHOMYIVNNOSFY-KSSFIOAISA-N 2 2 344.503 3.494 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057167 462361014 /nfs/dbraw/zinc/36/10/14/462361014.db2.gz NODVTNJUFBGGDQ-FUHWJXTLSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057167 462361018 /nfs/dbraw/zinc/36/10/18/462361018.db2.gz NODVTNJUFBGGDQ-FUHWJXTLSA-N 3 2 333.520 3.150 10 0 EGAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000665249872 462368437 /nfs/dbraw/zinc/36/84/37/462368437.db2.gz AAUOVGXYZSFMCT-ZLGUVYLKSA-N 2 2 347.466 3.064 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000665254930 462370446 /nfs/dbraw/zinc/37/04/46/462370446.db2.gz CQPAQHWCGOLYAL-UAOJZALGSA-N 2 2 343.446 3.416 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000665273319 462378680 /nfs/dbraw/zinc/37/86/80/462378680.db2.gz UKIKWNBQGBLIPQ-NJYVYQBISA-N 2 2 337.467 3.348 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277343 462381530 /nfs/dbraw/zinc/38/15/30/462381530.db2.gz ZHHUWMQJGAIVRC-SXLOBPIMSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277343 462381541 /nfs/dbraw/zinc/38/15/41/462381541.db2.gz ZHHUWMQJGAIVRC-SXLOBPIMSA-N 3 2 327.516 3.019 10 0 EGAELP Cc1c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1ccc(Cl)cc1 ZINC000665280571 462382536 /nfs/dbraw/zinc/38/25/36/462382536.db2.gz GMKXBQCDUNZALM-BLLLJJGKSA-N 2 2 335.883 3.253 10 0 EGAELP C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658340371 462482204 /nfs/dbraw/zinc/48/22/04/462482204.db2.gz XZQWFNCQLZJCLH-INIZCTEOSA-N 2 2 340.471 3.349 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000658339325 462482267 /nfs/dbraw/zinc/48/22/67/462482267.db2.gz QPLQGDFLRNMHES-SJORKVTESA-N 2 2 326.488 3.166 10 0 EGAELP CC(=O)NC1CCC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152969451 526699778 /nfs/dbraw/zinc/69/97/78/526699778.db2.gz YQOLNKKUCMMGOF-XVAXZDLZSA-N 2 2 343.515 3.078 10 0 EGAELP CC(=O)NC1CCC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152969451 526699784 /nfs/dbraw/zinc/69/97/84/526699784.db2.gz YQOLNKKUCMMGOF-XVAXZDLZSA-N 2 2 343.515 3.078 10 0 EGAELP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000359629864 535003652 /nfs/dbraw/zinc/00/36/52/535003652.db2.gz GWSFCLFCGYUDFX-CQSZACIVSA-N 2 2 335.883 3.302 10 0 EGAELP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000359629864 535003656 /nfs/dbraw/zinc/00/36/56/535003656.db2.gz GWSFCLFCGYUDFX-CQSZACIVSA-N 2 2 335.883 3.302 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189511 546653516 /nfs/dbraw/zinc/65/35/16/546653516.db2.gz PIQCLEODXVGDRU-KXBFYZLASA-N 2 2 326.488 3.292 10 0 EGAELP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]n1 ZINC000090189511 546653521 /nfs/dbraw/zinc/65/35/21/546653521.db2.gz PIQCLEODXVGDRU-KXBFYZLASA-N 2 2 326.488 3.292 10 0 EGAELP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101583 547023439 /nfs/dbraw/zinc/02/34/39/547023439.db2.gz IAVNEXSMNCBWFL-AWEZNQCLSA-N 2 2 325.334 3.446 10 0 EGAELP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101583 547023443 /nfs/dbraw/zinc/02/34/43/547023443.db2.gz IAVNEXSMNCBWFL-AWEZNQCLSA-N 2 2 325.334 3.446 10 0 EGAELP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000673616667 548582814 /nfs/dbraw/zinc/58/28/14/548582814.db2.gz FRGIKOAMBKNMDY-CQSZACIVSA-N 2 2 347.871 3.453 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856742 548641827 /nfs/dbraw/zinc/64/18/27/548641827.db2.gz XKEVZRVAEWEYTB-FPOVZHCZSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000673856742 548641833 /nfs/dbraw/zinc/64/18/33/548641833.db2.gz XKEVZRVAEWEYTB-FPOVZHCZSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673856742 548641836 /nfs/dbraw/zinc/64/18/36/548641836.db2.gz XKEVZRVAEWEYTB-FPOVZHCZSA-N 2 2 341.499 3.045 10 0 EGAELP Cn1cccc1[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673856742 548641842 /nfs/dbraw/zinc/64/18/42/548641842.db2.gz XKEVZRVAEWEYTB-FPOVZHCZSA-N 2 2 341.499 3.045 10 0 EGAELP COc1cc(C)[nH+]c(CN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000677441576 549271478 /nfs/dbraw/zinc/27/14/78/549271478.db2.gz VBHZRYKDECHGOA-GOSISDBHSA-N 2 2 339.483 3.495 10 0 EGAELP COc1cc(C)[nH+]c(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000677441576 549271483 /nfs/dbraw/zinc/27/14/83/549271483.db2.gz VBHZRYKDECHGOA-GOSISDBHSA-N 2 2 339.483 3.495 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000678784318 549561376 /nfs/dbraw/zinc/56/13/76/549561376.db2.gz SNHGPPLADROGLC-LJQANCHMSA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000678784318 549561379 /nfs/dbraw/zinc/56/13/79/549561379.db2.gz SNHGPPLADROGLC-LJQANCHMSA-N 2 2 344.886 3.412 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@@H+]1C1CC1 ZINC000679023405 549618161 /nfs/dbraw/zinc/61/81/61/549618161.db2.gz FMVXIRFSZWUYKA-ATZDWAIDSA-N 2 2 348.494 3.216 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)C[N@H+]1C1CC1 ZINC000679023405 549618164 /nfs/dbraw/zinc/61/81/64/549618164.db2.gz FMVXIRFSZWUYKA-ATZDWAIDSA-N 2 2 348.494 3.216 10 0 EGAELP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680329682 549849865 /nfs/dbraw/zinc/84/98/65/549849865.db2.gz VOMTXZBNJPCZIO-QGZVFWFLSA-N 2 2 327.457 3.313 10 0 EGAELP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680329682 549849867 /nfs/dbraw/zinc/84/98/67/549849867.db2.gz VOMTXZBNJPCZIO-QGZVFWFLSA-N 2 2 327.457 3.313 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685416806 550414977 /nfs/dbraw/zinc/41/49/77/550414977.db2.gz YSSSDFJRCQZHEB-PYTPGESOSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685416806 550414979 /nfs/dbraw/zinc/41/49/79/550414979.db2.gz YSSSDFJRCQZHEB-PYTPGESOSA-N 2 2 349.469 3.080 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391800 576778310 /nfs/dbraw/zinc/77/83/10/576778310.db2.gz MGNCXLKHNCCRPM-OAHLLOKOSA-N 2 2 335.407 3.494 10 0 EGAELP COCc1nc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000742391059 576778381 /nfs/dbraw/zinc/77/83/81/576778381.db2.gz BPNUCYIPADYLSS-CYBMUJFWSA-N 2 2 328.441 3.326 10 0 EGAELP COc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000087789340 1292746719 /nfs/dbraw/zinc/74/67/19/1292746719.db2.gz RMNBVGMCYJNXFX-NWDGAFQWSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000087789340 1292746725 /nfs/dbraw/zinc/74/67/25/1292746725.db2.gz RMNBVGMCYJNXFX-NWDGAFQWSA-N 2 2 327.266 3.017 10 0 EGAELP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)on2)cc1 ZINC000872149577 1296768709 /nfs/dbraw/zinc/76/87/09/1296768709.db2.gz OSFQUSKRLPKAPG-HIFRSBDPSA-N 2 2 339.361 3.219 10 0 EGAELP Cc1ccc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)on2)cc1 ZINC000872149577 1296768723 /nfs/dbraw/zinc/76/87/23/1296768723.db2.gz OSFQUSKRLPKAPG-HIFRSBDPSA-N 2 2 339.361 3.219 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151856 1296768766 /nfs/dbraw/zinc/76/87/66/1296768766.db2.gz YFRTUUSIOKUQOV-ZYHUDNBSSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151856 1296768779 /nfs/dbraw/zinc/76/87/79/1296768779.db2.gz YFRTUUSIOKUQOV-ZYHUDNBSSA-N 2 2 342.283 3.154 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000878491783 1300032787 /nfs/dbraw/zinc/03/27/87/1300032787.db2.gz SRIPGEIWGFQIAI-ZIFCJYIRSA-N 2 2 345.531 3.475 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000878491783 1300032796 /nfs/dbraw/zinc/03/27/96/1300032796.db2.gz SRIPGEIWGFQIAI-ZIFCJYIRSA-N 2 2 345.531 3.475 10 0 EGAELP c1cn(C[C@@H]([NH2+]Cc2cccc3c2CCOC3)c2ccccc2)c[nH+]1 ZINC000880570164 1301165228 /nfs/dbraw/zinc/16/52/28/1301165228.db2.gz QUZBNHLYWZJPEY-OAQYLSRUSA-N 2 2 333.435 3.487 10 0 EGAELP C[C@@H](CC(=O)O[C@H](C[N@@H+](C)Cc1ccccc1)C1CC1)n1cc[nH+]c1 ZINC000893696356 1306034533 /nfs/dbraw/zinc/03/45/33/1306034533.db2.gz GWMSKLNGVGDBAI-QFBILLFUSA-N 2 2 341.455 3.288 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1F ZINC000858095431 1328681140 /nfs/dbraw/zinc/68/11/40/1328681140.db2.gz ZQQDSVNYPPELQL-LBPRGKRZSA-N 2 2 341.268 3.471 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)cc1F ZINC000858095431 1328681146 /nfs/dbraw/zinc/68/11/46/1328681146.db2.gz ZQQDSVNYPPELQL-LBPRGKRZSA-N 2 2 341.268 3.471 10 0 EGAELP Brc1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000921505488 1322332500 /nfs/dbraw/zinc/33/25/00/1322332500.db2.gz ZALBYHMNHXBUBQ-UHFFFAOYSA-N 2 2 349.276 3.058 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)[C@H]1c1cccs1 ZINC000921775995 1322397038 /nfs/dbraw/zinc/39/70/38/1322397038.db2.gz JVFGCPFLBBXKES-WBVHZDCISA-N 2 2 336.480 3.087 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)[C@H]1c1cccs1 ZINC000921775995 1322397042 /nfs/dbraw/zinc/39/70/42/1322397042.db2.gz JVFGCPFLBBXKES-WBVHZDCISA-N 2 2 336.480 3.087 10 0 EGAELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754653 1322610613 /nfs/dbraw/zinc/61/06/13/1322610613.db2.gz QXURUMMXNKPUIO-WDEREUQCSA-N 2 2 335.311 3.128 10 0 EGAELP c1[nH]cc([C@@H]2C[C@H]2c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)[nH+]1 ZINC000923782649 1322808473 /nfs/dbraw/zinc/80/84/73/1322808473.db2.gz QOSPAXSEFQPHRA-HZPDHXFCSA-N 2 2 335.411 3.327 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)cc(F)c1 ZINC000924708331 1323125541 /nfs/dbraw/zinc/12/55/41/1323125541.db2.gz YYUSDDVMOYEDGP-HNNXBMFYSA-N 2 2 344.430 3.214 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852139 1323187929 /nfs/dbraw/zinc/18/79/29/1323187929.db2.gz IAYVNEMJHHFORX-QFBILLFUSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000924852139 1323187934 /nfs/dbraw/zinc/18/79/34/1323187934.db2.gz IAYVNEMJHHFORX-QFBILLFUSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000924861160 1323190896 /nfs/dbraw/zinc/19/08/96/1323190896.db2.gz ISJAIIUEFYARLK-INIZCTEOSA-N 2 2 342.487 3.011 10 0 EGAELP CC[C@H](OCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286976 1329085771 /nfs/dbraw/zinc/08/57/71/1329085771.db2.gz ZZFNYHFTGZSYBE-NRFANRHFSA-N 2 2 346.515 3.341 10 0 EGAELP CC[C@H](OCC[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286976 1329085775 /nfs/dbraw/zinc/08/57/75/1329085775.db2.gz ZZFNYHFTGZSYBE-NRFANRHFSA-N 2 2 346.515 3.341 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000925534924 1325196938 /nfs/dbraw/zinc/19/69/38/1325196938.db2.gz RLORQSIECKMXBS-WFASDCNBSA-N 2 2 339.277 3.091 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925592613 1325224618 /nfs/dbraw/zinc/22/46/18/1325224618.db2.gz XMCFZWVRTJEHRY-BSIFCXSSSA-N 2 2 343.515 3.402 10 0 EGAELP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925607741 1325229745 /nfs/dbraw/zinc/22/97/45/1325229745.db2.gz RQYWHMRJDGSGMH-FQEVSTJZSA-N 2 2 344.499 3.147 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608427 1325230150 /nfs/dbraw/zinc/23/01/50/1325230150.db2.gz XQPXDNLIJAKEGN-AYBZRNKSSA-N 3 2 330.520 3.103 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925619292 1325232658 /nfs/dbraw/zinc/23/26/58/1325232658.db2.gz MIIXQNWWUGPNDR-PSOPSSQASA-N 2 2 329.271 3.290 10 0 EGAELP CC1(C)[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925729684 1325273440 /nfs/dbraw/zinc/27/34/40/1325273440.db2.gz KXGFNQZLHSJNFZ-COXVUDFISA-N 2 2 328.485 3.071 10 0 EGAELP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC)cc1 ZINC000925793114 1325304320 /nfs/dbraw/zinc/30/43/20/1325304320.db2.gz HSIOTUCEAZDBLH-PKOBYXMFSA-N 2 2 332.488 3.285 10 0 EGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000926957156 1327796434 /nfs/dbraw/zinc/79/64/34/1327796434.db2.gz GILDEMSSBATJJQ-PMACEKPBSA-N 2 2 328.500 3.446 10 0 EGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCOCC1 ZINC000926957156 1327796440 /nfs/dbraw/zinc/79/64/40/1327796440.db2.gz GILDEMSSBATJJQ-PMACEKPBSA-N 2 2 328.500 3.446 10 0 EGAELP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926960330 1327798193 /nfs/dbraw/zinc/79/81/93/1327798193.db2.gz FIYMOYUYKHZMLD-CZUORRHYSA-N 2 2 340.393 3.406 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000926963515 1327800659 /nfs/dbraw/zinc/80/06/59/1327800659.db2.gz UTQBRMFPSJVJBG-PWSUYJOCSA-N 2 2 335.311 3.128 10 0 EGAELP c1ccc(N2CCC([NH2+]CC[C@H]3OCCc4ccccc43)CC2)[nH+]c1 ZINC000927119573 1327877367 /nfs/dbraw/zinc/87/73/67/1327877367.db2.gz LJKRHHDYIRRZAJ-HXUWFJFHSA-N 2 2 337.467 3.344 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)(F)F ZINC000865574398 1329715350 /nfs/dbraw/zinc/71/53/50/1329715350.db2.gz VVOHEDGLRCJENO-JTQLQIEISA-N 2 2 329.297 3.095 10 0 EGAELP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866392441 1330105609 /nfs/dbraw/zinc/10/56/09/1330105609.db2.gz DELDXZGHJFYYGB-LXGCGDOSSA-N 2 2 332.463 3.292 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ncccc2Br)C1 ZINC000866708230 1330143615 /nfs/dbraw/zinc/14/36/15/1330143615.db2.gz LVZTYBPIVLEWME-OAHLLOKOSA-N 2 2 326.282 3.041 10 0 EGAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ncccc2Br)C1 ZINC000866708230 1330143616 /nfs/dbraw/zinc/14/36/16/1330143616.db2.gz LVZTYBPIVLEWME-OAHLLOKOSA-N 2 2 326.282 3.041 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001324057264 1387522839 /nfs/dbraw/zinc/52/28/39/1387522839.db2.gz QPRQTGFQMBYQJE-YJBOKZPZSA-N 2 2 342.487 3.416 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001324321802 1387591213 /nfs/dbraw/zinc/59/12/13/1387591213.db2.gz GTWMUSBFSBGEMB-SREVYHEPSA-N 2 2 346.519 3.070 10 0 EGAELP Nc1cc[nH+]c2c1C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC001197104460 1368745083 /nfs/dbraw/zinc/74/50/83/1368745083.db2.gz FHJIFEHCNLICDB-UHFFFAOYSA-N 2 2 337.345 3.120 10 0 EGAELP Nc1cc[nH+]c2c1C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC001197104460 1368745088 /nfs/dbraw/zinc/74/50/88/1368745088.db2.gz FHJIFEHCNLICDB-UHFFFAOYSA-N 2 2 337.345 3.120 10 0 EGAELP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001326773751 1388306528 /nfs/dbraw/zinc/30/65/28/1388306528.db2.gz IVOCPFQHQOTOEK-RTBURBONSA-N 2 2 340.471 3.005 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001266468338 1377315143 /nfs/dbraw/zinc/31/51/43/1377315143.db2.gz OFFAIRLGMUSEAG-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001266468338 1377315145 /nfs/dbraw/zinc/31/51/45/1377315145.db2.gz OFFAIRLGMUSEAG-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266799244 1377382651 /nfs/dbraw/zinc/38/26/51/1377382651.db2.gz UJZMBYIMHCNGAF-QGZVFWFLSA-N 2 2 342.487 3.356 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001271628611 1377643824 /nfs/dbraw/zinc/64/38/24/1377643824.db2.gz IFZIXNGYURAPIP-FUHWJXTLSA-N 2 2 348.535 3.191 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001272273105 1377664625 /nfs/dbraw/zinc/66/46/25/1377664625.db2.gz XHFZEOPLDADTCQ-DOTOQJQBSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001272273105 1377664628 /nfs/dbraw/zinc/66/46/28/1377664628.db2.gz XHFZEOPLDADTCQ-DOTOQJQBSA-N 2 2 334.508 3.043 10 0 EGAELP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC001327754705 1388592952 /nfs/dbraw/zinc/59/29/52/1388592952.db2.gz ICLNTURNUYLHRF-WOFGGDGOSA-N 2 2 341.680 3.431 10 0 EGAELP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001283869092 1379215925 /nfs/dbraw/zinc/21/59/25/1379215925.db2.gz RGPQWAFCVDWHTB-WBVHZDCISA-N 2 2 328.460 3.026 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058316 1379409979 /nfs/dbraw/zinc/40/99/79/1379409979.db2.gz PWEZMTYUDQLWTN-NSHGMRRFSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284058316 1379409980 /nfs/dbraw/zinc/40/99/80/1379409980.db2.gz PWEZMTYUDQLWTN-NSHGMRRFSA-N 2 2 346.519 3.069 10 0 EGAELP CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CCCCCF ZINC001284293365 1379681913 /nfs/dbraw/zinc/68/19/13/1379681913.db2.gz OWRLVFQEPJYDMT-KRWDZBQOSA-N 2 2 346.450 3.143 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001328258121 1388701487 /nfs/dbraw/zinc/70/14/87/1388701487.db2.gz OANQMVHHUGZPPE-MSOLQXFVSA-N 2 2 348.535 3.332 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001328258121 1388701491 /nfs/dbraw/zinc/70/14/91/1388701491.db2.gz OANQMVHHUGZPPE-MSOLQXFVSA-N 2 2 348.535 3.332 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)C3([NH+](C)C)CCCC3)ccc21 ZINC001158517284 1381276284 /nfs/dbraw/zinc/27/62/84/1381276284.db2.gz MNOSLVCREISNAO-UHFFFAOYSA-N 2 2 326.444 3.114 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328329984 1388724149 /nfs/dbraw/zinc/72/41/49/1388724149.db2.gz PXTVFSVQPGYFTD-UPJWGTAASA-N 2 2 332.354 3.196 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316698942 1384529103 /nfs/dbraw/zinc/52/91/03/1384529103.db2.gz AKCOCIMFCGAKFR-XMTFNYHQSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316698942 1384529105 /nfs/dbraw/zinc/52/91/05/1384529105.db2.gz AKCOCIMFCGAKFR-XMTFNYHQSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001316785921 1384581037 /nfs/dbraw/zinc/58/10/37/1384581037.db2.gz FSSXVQGQIDKCFZ-FGTMMUONSA-N 2 2 348.535 3.486 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001316785921 1384581038 /nfs/dbraw/zinc/58/10/38/1384581038.db2.gz FSSXVQGQIDKCFZ-FGTMMUONSA-N 2 2 348.535 3.486 10 0 EGAELP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001316805108 1384595413 /nfs/dbraw/zinc/59/54/13/1384595413.db2.gz NGZDUSUAXQFFME-SJORKVTESA-N 2 2 342.487 3.307 10 0 EGAELP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001316805108 1384595417 /nfs/dbraw/zinc/59/54/17/1384595417.db2.gz NGZDUSUAXQFFME-SJORKVTESA-N 2 2 342.487 3.307 10 0 EGAELP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316806458 1384598347 /nfs/dbraw/zinc/59/83/47/1384598347.db2.gz OCDOPUGCUBQFFM-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316806458 1384598349 /nfs/dbraw/zinc/59/83/49/1384598349.db2.gz OCDOPUGCUBQFFM-IBGZPJMESA-N 2 2 344.503 3.087 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316811839 1384610358 /nfs/dbraw/zinc/61/03/58/1384610358.db2.gz OZAHGWMLEOJVQA-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316811839 1384610360 /nfs/dbraw/zinc/61/03/60/1384610360.db2.gz OZAHGWMLEOJVQA-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CCCC3CCC3)ccn12 ZINC001316825516 1384619370 /nfs/dbraw/zinc/61/93/70/1384619370.db2.gz RVTBYIGMOMOCNW-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CCCC3CCC3)ccn12 ZINC001316825516 1384619375 /nfs/dbraw/zinc/61/93/75/1384619375.db2.gz RVTBYIGMOMOCNW-UHFFFAOYSA-N 2 2 342.487 3.275 10 0 EGAELP CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1CC(C)C1 ZINC001316889828 1384672184 /nfs/dbraw/zinc/67/21/84/1384672184.db2.gz ICCOSHVVNGPEFM-UHFFFAOYSA-N 2 2 342.487 3.131 10 0 EGAELP CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1CC(C)C1 ZINC001316889828 1384672187 /nfs/dbraw/zinc/67/21/87/1384672187.db2.gz ICCOSHVVNGPEFM-UHFFFAOYSA-N 2 2 342.487 3.131 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001316935029 1384706056 /nfs/dbraw/zinc/70/60/56/1384706056.db2.gz BHNVNNKCZSWYGJ-FPLPWBNLSA-N 2 2 346.519 3.357 10 0 EGAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001317005957 1384767778 /nfs/dbraw/zinc/76/77/78/1384767778.db2.gz PAVAIECPEGJLJN-UHFFFAOYSA-N 2 2 344.503 3.087 10 0 EGAELP O=C(NC[C@@H]([NH2+]CCCC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001317018081 1384782991 /nfs/dbraw/zinc/78/29/91/1384782991.db2.gz DCKFNBTVAUVIIZ-QGZVFWFLSA-N 2 2 340.471 3.013 10 0 EGAELP COc1cc[nH+]cc1CC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001317217434 1384997423 /nfs/dbraw/zinc/99/74/23/1384997423.db2.gz RRHSTHFCDDLSQP-UHFFFAOYSA-N 2 2 347.503 3.086 10 0 EGAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001317269926 1385039751 /nfs/dbraw/zinc/03/97/51/1385039751.db2.gz JMVFZTBQBBPZPA-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCC1CCCCCC1 ZINC001317269926 1385039754 /nfs/dbraw/zinc/03/97/54/1385039754.db2.gz JMVFZTBQBBPZPA-JKSUJKDBSA-N 2 2 334.508 3.043 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317436674 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1396122338 /nfs/dbraw/zinc/12/23/38/1396122338.db2.gz VCXJWLWTILTHMO-OAHLLOKOSA-N 2 2 342.487 3.259 10 0 EGAELP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496170082 1396619313 /nfs/dbraw/zinc/61/93/13/1396619313.db2.gz FGPKBTRWFCMCHD-IRXDYDNUSA-N 2 2 348.535 3.487 10 0 EGAELP CCCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689055954 1396855517 /nfs/dbraw/zinc/85/55/17/1396855517.db2.gz NMOSMZFTDJNMSW-MAUKXSAKSA-N 2 2 334.508 3.058 10 0 EGAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001690791328 1404737427 /nfs/dbraw/zinc/73/74/27/1404737427.db2.gz YDLGOULHBAHCIH-RTBURBONSA-N 2 2 344.503 3.181 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001691625272 1405363456 /nfs/dbraw/zinc/36/34/56/1405363456.db2.gz FHBCOAOGSTUNQK-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001691636891 1405372596 /nfs/dbraw/zinc/37/25/96/1405372596.db2.gz OQKNTDDSEYAESD-KRWDZBQOSA-N 2 2 334.508 3.202 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC001692022926 1405741023 /nfs/dbraw/zinc/74/10/23/1405741023.db2.gz KYAVKOBNNIRCAL-INIZCTEOSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001692022926 1405741031 /nfs/dbraw/zinc/74/10/31/1405741031.db2.gz KYAVKOBNNIRCAL-INIZCTEOSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC001692022926 1405741032 /nfs/dbraw/zinc/74/10/32/1405741032.db2.gz KYAVKOBNNIRCAL-INIZCTEOSA-N 2 2 348.535 3.195 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001692022926 1405741034 /nfs/dbraw/zinc/74/10/34/1405741034.db2.gz KYAVKOBNNIRCAL-INIZCTEOSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692121578 1405783901 /nfs/dbraw/zinc/78/39/01/1405783901.db2.gz VQOGDFDZQYVGMU-IEBWSBKVSA-N 2 2 348.535 3.385 10 0 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CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001732490536 1428613507 /nfs/dbraw/zinc/61/35/07/1428613507.db2.gz MXXZKMMYPFZCKF-WBVHZDCISA-N 2 2 342.487 3.439 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001732510644 1428629507 /nfs/dbraw/zinc/62/95/07/1428629507.db2.gz KMGKEHCZLIPEFS-SFHVURJKSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699840026 1413268609 /nfs/dbraw/zinc/26/86/09/1413268609.db2.gz BCSSBEWUKRCOIL-AZUAARDMSA-N 2 2 346.519 3.265 10 0 EGAELP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001699976239 1413418485 /nfs/dbraw/zinc/41/84/85/1413418485.db2.gz SBRREDOBIXHMTG-FCGDIQPGSA-N 2 2 346.519 3.240 10 0 EGAELP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001699976239 1413418489 /nfs/dbraw/zinc/41/84/89/1413418489.db2.gz SBRREDOBIXHMTG-FCGDIQPGSA-N 2 2 346.519 3.240 10 0 EGAELP CN(CCC[N@H+](C)CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700187695 1413611101 /nfs/dbraw/zinc/61/11/01/1413611101.db2.gz XZVZGJFWVUJZPE-UHFFFAOYSA-N 2 2 328.460 3.147 10 0 EGAELP CN(CCC[N@@H+](C)CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700187695 1413611102 /nfs/dbraw/zinc/61/11/02/1413611102.db2.gz XZVZGJFWVUJZPE-UHFFFAOYSA-N 2 2 328.460 3.147 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198028 1413639959 /nfs/dbraw/zinc/63/99/59/1413639959.db2.gz PFWPOQBPWJUGLF-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001700198028 1413639962 /nfs/dbraw/zinc/63/99/62/1413639962.db2.gz PFWPOQBPWJUGLF-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001700294304 1413753428 /nfs/dbraw/zinc/75/34/28/1413753428.db2.gz PYKCXNIAJSSGID-JTHGQSKGSA-N 2 2 346.519 3.224 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001700294304 1413753431 /nfs/dbraw/zinc/75/34/31/1413753431.db2.gz PYKCXNIAJSSGID-JTHGQSKGSA-N 2 2 346.519 3.224 10 0 EGAELP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700354004 1413851998 /nfs/dbraw/zinc/85/19/98/1413851998.db2.gz MOQPGGJKWLUUGW-MRXNPFEDSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700354004 1413852004 /nfs/dbraw/zinc/85/20/04/1413852004.db2.gz MOQPGGJKWLUUGW-MRXNPFEDSA-N 2 2 328.460 3.145 10 0 EGAELP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700443107 1414016479 /nfs/dbraw/zinc/01/64/79/1414016479.db2.gz TUUXDXZWDDRJDS-UHFFFAOYSA-N 2 2 342.487 3.441 10 0 EGAELP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464472 1414068404 /nfs/dbraw/zinc/06/84/04/1414068404.db2.gz SRPDYHLJNBQGSY-LQYUOIDQSA-N 2 2 328.460 3.049 10 0 EGAELP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464472 1414068410 /nfs/dbraw/zinc/06/84/10/1414068410.db2.gz SRPDYHLJNBQGSY-LQYUOIDQSA-N 2 2 328.460 3.049 10 0 EGAELP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464470 1414068443 /nfs/dbraw/zinc/06/84/43/1414068443.db2.gz SRPDYHLJNBQGSY-IDTUSYRASA-N 2 2 328.460 3.049 10 0 EGAELP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700464470 1414068447 /nfs/dbraw/zinc/06/84/47/1414068447.db2.gz SRPDYHLJNBQGSY-IDTUSYRASA-N 2 2 328.460 3.049 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700900762 1414556568 /nfs/dbraw/zinc/55/65/68/1414556568.db2.gz ZZHGHMVUOJWYOD-HOCLYGCPSA-N 2 2 328.460 3.097 10 0 EGAELP CC(C)CCC[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001700974270 1414604369 /nfs/dbraw/zinc/60/43/69/1414604369.db2.gz QFFGTSCYRMELLG-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP CC(C)CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001700974270 1414604373 /nfs/dbraw/zinc/60/43/73/1414604373.db2.gz QFFGTSCYRMELLG-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP 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10 0 EGAELP CN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001713057879 1417612099 /nfs/dbraw/zinc/61/20/99/1417612099.db2.gz FBHCIJILRVQDPK-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182764 1417757820 /nfs/dbraw/zinc/75/78/20/1417757820.db2.gz PTXMVNAIUOUTFY-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001713182764 1417757821 /nfs/dbraw/zinc/75/78/21/1417757821.db2.gz PTXMVNAIUOUTFY-MOPGFXCFSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1)c1c[nH+]c[nH]1 ZINC001713242141 1417828352 /nfs/dbraw/zinc/82/83/52/1417828352.db2.gz NYXVEKJKVXNTAH-KRWDZBQOSA-N 2 2 346.519 3.096 10 0 EGAELP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713253718 1417848703 /nfs/dbraw/zinc/84/87/03/1417848703.db2.gz UJMODESVKBWWJJ-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713253718 1417848709 /nfs/dbraw/zinc/84/87/09/1417848709.db2.gz UJMODESVKBWWJJ-RTBURBONSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713434060 1418063582 /nfs/dbraw/zinc/06/35/82/1418063582.db2.gz BBMAAWDVVBDDQI-HOCLYGCPSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@H](F)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713434060 1418063586 /nfs/dbraw/zinc/06/35/86/1418063586.db2.gz BBMAAWDVVBDDQI-HOCLYGCPSA-N 2 2 346.450 3.285 10 0 EGAELP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713440008 1418073447 /nfs/dbraw/zinc/07/34/47/1418073447.db2.gz ZCAYIFDFZPACMT-ZWKOTPCHSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713440008 1418073452 /nfs/dbraw/zinc/07/34/52/1418073452.db2.gz ZCAYIFDFZPACMT-ZWKOTPCHSA-N 2 2 332.492 3.161 10 0 EGAELP CCCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001713677293 1418429445 /nfs/dbraw/zinc/42/94/45/1418429445.db2.gz MSUROPQCCYGLAI-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713732220 1418520403 /nfs/dbraw/zinc/52/04/03/1418520403.db2.gz AWBRLIBOYMGVJM-GOSISDBHSA-N 2 2 329.488 3.415 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713732220 1418520406 /nfs/dbraw/zinc/52/04/06/1418520406.db2.gz AWBRLIBOYMGVJM-GOSISDBHSA-N 2 2 329.488 3.415 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001713907758 1418704317 /nfs/dbraw/zinc/70/43/17/1418704317.db2.gz NYGNUUGOWCWBIT-IBGZPJMESA-N 2 2 346.519 3.099 10 0 EGAELP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005345 1418785362 /nfs/dbraw/zinc/78/53/62/1418785362.db2.gz CRYFCODRAAQVFI-DWTRPJMMSA-N 2 2 326.444 3.066 10 0 EGAELP CC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714005345 1418785373 /nfs/dbraw/zinc/78/53/73/1418785373.db2.gz CRYFCODRAAQVFI-DWTRPJMMSA-N 2 2 326.444 3.066 10 0 EGAELP 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ZINC001714040974 1418830581 /nfs/dbraw/zinc/83/05/81/1418830581.db2.gz UJQYIYWHDRXKOH-RTBURBONSA-N 2 2 346.519 3.193 10 0 EGAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CC1=CCCCC1 ZINC001714073410 1418868512 /nfs/dbraw/zinc/86/85/12/1418868512.db2.gz LYXYPAYDHOCCFL-GOSISDBHSA-N 2 2 340.471 3.241 10 0 EGAELP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001714078405 1418872892 /nfs/dbraw/zinc/87/28/92/1418872892.db2.gz CWSLKLHUYXSLKW-DLBZAZTESA-N 2 2 342.487 3.205 10 0 EGAELP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001714078405 1418872897 /nfs/dbraw/zinc/87/28/97/1418872897.db2.gz CWSLKLHUYXSLKW-DLBZAZTESA-N 2 2 342.487 3.205 10 0 EGAELP CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714405065 1419147060 /nfs/dbraw/zinc/14/70/60/1419147060.db2.gz YJJFVBMMGJZUHE-HOTGVXAUSA-N 2 2 328.460 3.240 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001714824285 1419535129 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ZINC001717368152 1421305001 /nfs/dbraw/zinc/30/50/01/1421305001.db2.gz YMIBLHGZSUFZSR-KZNAEPCWSA-N 2 2 344.503 3.016 10 0 EGAELP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717368152 1421305004 /nfs/dbraw/zinc/30/50/04/1421305004.db2.gz YMIBLHGZSUFZSR-KZNAEPCWSA-N 2 2 344.503 3.016 10 0 EGAELP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717368152 1421305006 /nfs/dbraw/zinc/30/50/06/1421305006.db2.gz YMIBLHGZSUFZSR-KZNAEPCWSA-N 2 2 344.503 3.016 10 0 EGAELP C[C@H](CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1)n1cc[nH+]c1 ZINC001717525809 1421461583 /nfs/dbraw/zinc/46/15/83/1421461583.db2.gz DUDYSGXSSWGOOF-LXPRWKDFSA-N 2 2 346.519 3.289 10 0 EGAELP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001717757706 1421620630 /nfs/dbraw/zinc/62/06/30/1421620630.db2.gz ZIWXBYBYMRSEGO-IAGOWNOFSA-N 2 2 342.487 3.204 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001717874294 1421681799 /nfs/dbraw/zinc/68/17/99/1421681799.db2.gz AUNSMMGAHIDPMP-ZBFHGGJFSA-N 2 2 342.487 3.487 10 0 EGAELP CCC(CC)C[N@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001717949667 1421717977 /nfs/dbraw/zinc/71/79/77/1421717977.db2.gz GZIIQECOBSHUAV-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP CCC(CC)C[N@@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001717949667 1421717980 /nfs/dbraw/zinc/71/79/80/1421717980.db2.gz GZIIQECOBSHUAV-GOSISDBHSA-N 2 2 348.535 3.051 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001717984904 1421756913 /nfs/dbraw/zinc/75/69/13/1421756913.db2.gz RCWAKNWDPGRUEG-DJAVDHGHSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717984904 1421756916 /nfs/dbraw/zinc/75/69/16/1421756916.db2.gz RCWAKNWDPGRUEG-DJAVDHGHSA-N 2 2 346.519 3.161 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001718022056 1421777020 /nfs/dbraw/zinc/77/70/20/1421777020.db2.gz HQOXUBDAECBXNQ-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001718022056 1421777021 /nfs/dbraw/zinc/77/70/21/1421777021.db2.gz HQOXUBDAECBXNQ-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001718022056 1421777022 /nfs/dbraw/zinc/77/70/22/1421777022.db2.gz HQOXUBDAECBXNQ-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)NCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001718022056 1421777023 /nfs/dbraw/zinc/77/70/23/1421777023.db2.gz HQOXUBDAECBXNQ-UHFFFAOYSA-N 2 2 344.503 3.061 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733453147 1429666568 /nfs/dbraw/zinc/66/65/68/1429666568.db2.gz UXJRVOVEXGYQLZ-OSJSJHBBSA-N 2 2 346.519 3.163 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733453147 1429666569 /nfs/dbraw/zinc/66/65/69/1429666569.db2.gz UXJRVOVEXGYQLZ-OSJSJHBBSA-N 2 2 346.519 3.163 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001723184280 1424316413 /nfs/dbraw/zinc/31/64/13/1424316413.db2.gz IBOYBUFKXRLGRS-ZDUSSCGKSA-N 2 2 348.878 3.113 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001733532623 1429739242 /nfs/dbraw/zinc/73/92/42/1429739242.db2.gz DZBXIQMHLQOZCW-YJBOKZPZSA-N 2 2 346.519 3.058 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001733532621 1429739446 /nfs/dbraw/zinc/73/94/46/1429739446.db2.gz DZBXIQMHLQOZCW-QAPCUYQASA-N 2 2 346.519 3.058 10 0 EGAELP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724125089 1424675927 /nfs/dbraw/zinc/67/59/27/1424675927.db2.gz APKPQMQKBSLBMY-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724125089 1424675934 /nfs/dbraw/zinc/67/59/34/1424675934.db2.gz APKPQMQKBSLBMY-FQEVSTJZSA-N 2 2 346.519 3.155 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724960089 1425348794 /nfs/dbraw/zinc/34/87/94/1425348794.db2.gz NHEIQNRYCXXORZ-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724960089 1425348797 /nfs/dbraw/zinc/34/87/97/1425348797.db2.gz NHEIQNRYCXXORZ-TUYSUELWSA-N 2 2 346.519 3.305 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCCCF ZINC001724991448 1425394701 /nfs/dbraw/zinc/39/47/01/1425394701.db2.gz HESFAKKRFPOQNI-GDBMZVCRSA-N 2 2 346.450 3.285 10 0 EGAELP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCCCF ZINC001724991448 1425394702 /nfs/dbraw/zinc/39/47/02/1425394702.db2.gz HESFAKKRFPOQNI-GDBMZVCRSA-N 2 2 346.450 3.285 10 0 EGAELP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725043228 1425470265 /nfs/dbraw/zinc/47/02/65/1425470265.db2.gz VBTMOXISUKBXSP-ZWKOTPCHSA-N 2 2 334.508 3.193 10 0 EGAELP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725043228 1425470266 /nfs/dbraw/zinc/47/02/66/1425470266.db2.gz VBTMOXISUKBXSP-ZWKOTPCHSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001725104944 1425553564 /nfs/dbraw/zinc/55/35/64/1425553564.db2.gz QQAOYLYHASJMOX-HOTGVXAUSA-N 2 2 342.487 3.405 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001725176866 1425695482 /nfs/dbraw/zinc/69/54/82/1425695482.db2.gz OGVDXMUENADUCC-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCCC2CCCC2)c[nH+]1 ZINC001725176866 1425695483 /nfs/dbraw/zinc/69/54/83/1425695483.db2.gz OGVDXMUENADUCC-QGZVFWFLSA-N 2 2 348.535 3.334 10 0 EGAELP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243638 1425856765 /nfs/dbraw/zinc/85/67/65/1425856765.db2.gz YOWHDXBFSZWMLU-RTBURBONSA-N 2 2 349.494 3.010 10 0 EGAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCCCC[NH+]1CCF)c1ccccc1 ZINC001725243638 1425856771 /nfs/dbraw/zinc/85/67/71/1425856771.db2.gz YOWHDXBFSZWMLU-RTBURBONSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCF)c1ccccc1 ZINC001725243638 1425856773 /nfs/dbraw/zinc/85/67/73/1425856773.db2.gz YOWHDXBFSZWMLU-RTBURBONSA-N 2 2 349.494 3.010 10 0 EGAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCF)c1ccccc1 ZINC001725243638 1425856776 /nfs/dbraw/zinc/85/67/76/1425856776.db2.gz YOWHDXBFSZWMLU-RTBURBONSA-N 2 2 349.494 3.010 10 0 EGAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1=CCCCC1 ZINC001725501469 1426182261 /nfs/dbraw/zinc/18/22/61/1426182261.db2.gz NQKZEXKESBIFGS-INIZCTEOSA-N 2 2 340.471 3.275 10 0 EGAELP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001725662152 1426344689 /nfs/dbraw/zinc/34/46/89/1426344689.db2.gz HJIORMWLOBFEFT-ROUUACIJSA-N 2 2 348.535 3.343 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001725667593 1426350515 /nfs/dbraw/zinc/35/05/15/1426350515.db2.gz YSVWRMXTUILSAH-RTBURBONSA-N 2 2 346.519 3.118 10 0 EGAELP CC(C)N(CC[N@H+](C)CCC1CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001725733607 1426406062 /nfs/dbraw/zinc/40/60/62/1426406062.db2.gz RWOULMXDVWWMMY-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP CC(C)N(CC[N@@H+](C)CCC1CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001725733607 1426406064 /nfs/dbraw/zinc/40/60/64/1426406064.db2.gz RWOULMXDVWWMMY-UHFFFAOYSA-N 2 2 348.535 3.102 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824796 1426499917 /nfs/dbraw/zinc/49/99/17/1426499917.db2.gz JEODMBIKYHTSSZ-MRXNPFEDSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001725824796 1426499919 /nfs/dbraw/zinc/49/99/19/1426499919.db2.gz JEODMBIKYHTSSZ-MRXNPFEDSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824796 1426499921 /nfs/dbraw/zinc/49/99/21/1426499921.db2.gz JEODMBIKYHTSSZ-MRXNPFEDSA-N 2 2 346.519 3.163 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001725824796 1426499922 /nfs/dbraw/zinc/49/99/22/1426499922.db2.gz JEODMBIKYHTSSZ-MRXNPFEDSA-N 2 2 346.519 3.163 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001731353990 1427293912 /nfs/dbraw/zinc/29/39/12/1427293912.db2.gz IQBLWCHQAROUQV-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001731353990 1427293918 /nfs/dbraw/zinc/29/39/18/1427293918.db2.gz IQBLWCHQAROUQV-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731425596 1427406660 /nfs/dbraw/zinc/40/66/60/1427406660.db2.gz ADMSYMJOYOEHPG-VYRCICMXSA-N 2 2 338.455 3.208 10 0 EGAELP CC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731425596 1427406664 /nfs/dbraw/zinc/40/66/64/1427406664.db2.gz ADMSYMJOYOEHPG-VYRCICMXSA-N 2 2 338.455 3.208 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661384 1427713354 /nfs/dbraw/zinc/71/33/54/1427713354.db2.gz AXPLJISEOJWJOB-INIZCTEOSA-N 2 2 340.471 3.195 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733688618 1429904272 /nfs/dbraw/zinc/90/42/72/1429904272.db2.gz NQFGBFWSBPPBCN-IYARVYRRSA-N 2 2 348.535 3.364 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[N@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001733778392 1430032690 /nfs/dbraw/zinc/03/26/90/1430032690.db2.gz KEPFYMRAIQHRHZ-QGZVFWFLSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@H](CC(=O)N(C)CCC[N@@H+](C)CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001733778392 1430032697 /nfs/dbraw/zinc/03/26/97/1430032697.db2.gz KEPFYMRAIQHRHZ-QGZVFWFLSA-N 2 2 346.519 3.195 10 0 EGAELP CC[C@H](F)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001734088865 1437873812 /nfs/dbraw/zinc/87/38/12/1437873812.db2.gz ZMWDGEWPMZNOLP-HNNXBMFYSA-N 2 2 346.450 3.333 10 0 EGAELP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151208 1437919145 /nfs/dbraw/zinc/91/91/45/1437919145.db2.gz ZDTLMXFKPYDJHW-SGUAIBKKSA-N 2 2 332.492 3.017 10 0 EGAELP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001734151208 1437919146 /nfs/dbraw/zinc/91/91/46/1437919146.db2.gz ZDTLMXFKPYDJHW-SGUAIBKKSA-N 2 2 332.492 3.017 10 0 EGAELP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001734256302 1437971730 /nfs/dbraw/zinc/97/17/30/1437971730.db2.gz HGFCJOCINCPGJD-KGLIPLIRSA-N 2 2 348.878 3.241 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]([NH2+]CC[C@@H](C)F)C(C)C)ccn12 ZINC001734286332 1438014389 /nfs/dbraw/zinc/01/43/89/1438014389.db2.gz LXDDXKKBKZLCDS-RHSMWYFYSA-N 2 2 348.466 3.125 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750945886 1440118355 /nfs/dbraw/zinc/11/83/55/1440118355.db2.gz WXECCGHKFTWOKZ-GOSISDBHSA-N 2 2 348.535 3.460 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001750945886 1440118356 /nfs/dbraw/zinc/11/83/56/1440118356.db2.gz WXECCGHKFTWOKZ-GOSISDBHSA-N 2 2 348.535 3.460 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368098958 168311105 /nfs/dbraw/zinc/31/11/05/168311105.db2.gz DHWMGVLWYUSGFW-PXNSSMCTSA-N 2 2 348.450 3.244 10 0 EGAELP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368098958 168311107 /nfs/dbraw/zinc/31/11/07/168311107.db2.gz DHWMGVLWYUSGFW-PXNSSMCTSA-N 2 2 348.450 3.244 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368103585 168311590 /nfs/dbraw/zinc/31/15/90/168311590.db2.gz XBUODKBZCNVNNF-GXTWGEPZSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368103585 168311591 /nfs/dbraw/zinc/31/15/91/168311591.db2.gz XBUODKBZCNVNNF-GXTWGEPZSA-N 2 2 346.862 3.236 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442139 168355931 /nfs/dbraw/zinc/35/59/31/168355931.db2.gz KVCISLWJMIRBLV-UZLBHIALSA-N 2 2 336.483 3.007 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000368442139 168355932 /nfs/dbraw/zinc/35/59/32/168355932.db2.gz KVCISLWJMIRBLV-UZLBHIALSA-N 2 2 336.483 3.007 10 0 EGAELP CCCCn1c(SC[C@H](C)[NH+](C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000358858479 282983832 /nfs/dbraw/zinc/98/38/32/282983832.db2.gz AHOUPHTZZRPKNE-UONOGXRCSA-N 2 2 327.542 3.133 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000181783249 234322292 /nfs/dbraw/zinc/32/22/92/234322292.db2.gz FRZFTCVTGIEWGW-ORYQWCPZSA-N 2 2 347.466 3.363 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000181783249 234322295 /nfs/dbraw/zinc/32/22/95/234322295.db2.gz FRZFTCVTGIEWGW-ORYQWCPZSA-N 2 2 347.466 3.363 10 0 EGAELP Brc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917964 213173911 /nfs/dbraw/zinc/17/39/11/213173911.db2.gz UZRQMNMBTIECGK-STQMWFEESA-N 2 2 329.307 3.475 10 0 EGAELP Brc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917964 213173915 /nfs/dbraw/zinc/17/39/15/213173915.db2.gz UZRQMNMBTIECGK-STQMWFEESA-N 2 2 329.307 3.475 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000130628746 223166121 /nfs/dbraw/zinc/16/61/21/223166121.db2.gz SRSRYAGJPMSBQL-KDOFPFPSSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000130628746 223166123 /nfs/dbraw/zinc/16/61/23/223166123.db2.gz SRSRYAGJPMSBQL-KDOFPFPSSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628746 223166124 /nfs/dbraw/zinc/16/61/24/223166124.db2.gz SRSRYAGJPMSBQL-KDOFPFPSSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628746 223166125 /nfs/dbraw/zinc/16/61/25/223166125.db2.gz SRSRYAGJPMSBQL-KDOFPFPSSA-N 2 2 332.879 3.440 10 0 EGAELP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000378408000 169115744 /nfs/dbraw/zinc/11/57/44/169115744.db2.gz ZDAFGLVLXHRJGL-MOPGFXCFSA-N 2 2 331.504 3.229 10 0 EGAELP COCCOc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812814 218171039 /nfs/dbraw/zinc/17/10/39/218171039.db2.gz GJOZTRCPICJITH-KRWDZBQOSA-N 2 2 341.455 3.041 10 0 EGAELP COCCOc1ccccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812814 218171042 /nfs/dbraw/zinc/17/10/42/218171042.db2.gz GJOZTRCPICJITH-KRWDZBQOSA-N 2 2 341.455 3.041 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704305 252154691 /nfs/dbraw/zinc/15/46/91/252154691.db2.gz HIOPWBWLQDOEBX-RLLQIKCJSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704305 252154693 /nfs/dbraw/zinc/15/46/93/252154693.db2.gz HIOPWBWLQDOEBX-RLLQIKCJSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000268704305 252154695 /nfs/dbraw/zinc/15/46/95/252154695.db2.gz HIOPWBWLQDOEBX-RLLQIKCJSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000268704305 252154698 /nfs/dbraw/zinc/15/46/98/252154698.db2.gz HIOPWBWLQDOEBX-RLLQIKCJSA-N 2 2 341.499 3.383 10 0 EGAELP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000358985984 285540068 /nfs/dbraw/zinc/54/00/68/285540068.db2.gz KYZHFRFXKVGTIJ-YJBOKZPZSA-N 2 2 333.439 3.051 10 0 EGAELP c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246901048 141042032 /nfs/dbraw/zinc/04/20/32/141042032.db2.gz RLHHKJYJCSDTRV-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246901048 141042033 /nfs/dbraw/zinc/04/20/33/141042033.db2.gz RLHHKJYJCSDTRV-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246901048 141042034 /nfs/dbraw/zinc/04/20/34/141042034.db2.gz RLHHKJYJCSDTRV-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP c1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246901048 141042035 /nfs/dbraw/zinc/04/20/35/141042035.db2.gz RLHHKJYJCSDTRV-FUHWJXTLSA-N 2 2 338.455 3.185 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462282 141200139 /nfs/dbraw/zinc/20/01/39/141200139.db2.gz OTWQRMKZKLLZGC-KUHUBIRLSA-N 2 2 331.410 3.381 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462282 141200141 /nfs/dbraw/zinc/20/01/41/141200141.db2.gz OTWQRMKZKLLZGC-KUHUBIRLSA-N 2 2 331.410 3.381 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907590 141214007 /nfs/dbraw/zinc/21/40/07/141214007.db2.gz FLQAFTMMKBHDJM-YOEHRIQHSA-N 2 2 329.444 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907590 141214008 /nfs/dbraw/zinc/21/40/08/141214008.db2.gz FLQAFTMMKBHDJM-YOEHRIQHSA-N 2 2 329.444 3.292 10 0 EGAELP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348061738 141237129 /nfs/dbraw/zinc/23/71/29/141237129.db2.gz JKACCUGNQDEVBL-RBUKOAKNSA-N 3 2 330.520 3.008 10 0 EGAELP CN(C)c1ncccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806141 549334435 /nfs/dbraw/zinc/33/44/35/549334435.db2.gz VKBATYGYYALIMS-IBGZPJMESA-N 2 2 338.499 3.290 10 0 EGAELP CN(C)c1ncccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806141 549334437 /nfs/dbraw/zinc/33/44/37/549334437.db2.gz VKBATYGYYALIMS-IBGZPJMESA-N 2 2 338.499 3.290 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000354599304 141313065 /nfs/dbraw/zinc/31/30/65/141313065.db2.gz LLZPCGGWQULQLI-MRXNPFEDSA-N 2 2 344.503 3.225 10 0 EGAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000354599304 141313066 /nfs/dbraw/zinc/31/30/66/141313066.db2.gz LLZPCGGWQULQLI-MRXNPFEDSA-N 2 2 344.503 3.225 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356342980 141344509 /nfs/dbraw/zinc/34/45/09/141344509.db2.gz RETOEUYKDAALLV-GFCCVEGCSA-N 2 2 325.334 3.134 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356342980 141344511 /nfs/dbraw/zinc/34/45/11/141344511.db2.gz RETOEUYKDAALLV-GFCCVEGCSA-N 2 2 325.334 3.134 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000178327027 144068972 /nfs/dbraw/zinc/06/89/72/144068972.db2.gz JTDJMPMFUPTBLL-INIZCTEOSA-N 2 2 329.835 3.157 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000178327027 144068974 /nfs/dbraw/zinc/06/89/74/144068974.db2.gz JTDJMPMFUPTBLL-INIZCTEOSA-N 2 2 329.835 3.157 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178565106 144072963 /nfs/dbraw/zinc/07/29/63/144072963.db2.gz BTNIGEMIRHAOKP-CQSZACIVSA-N 2 2 325.387 3.355 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000185208229 144107663 /nfs/dbraw/zinc/10/76/63/144107663.db2.gz NYBQDCUECPGLJX-UHFFFAOYSA-N 2 2 341.455 3.393 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000192180211 144172062 /nfs/dbraw/zinc/17/20/62/144172062.db2.gz QVVKBFPISMXMFS-HNNXBMFYSA-N 2 2 332.411 3.074 10 0 EGAELP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188462843 153018211 /nfs/dbraw/zinc/01/82/11/153018211.db2.gz UEMAHKRNKKFHQH-UHFFFAOYSA-N 2 2 345.874 3.498 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)ccc2n1 ZINC000189751616 153094333 /nfs/dbraw/zinc/09/43/33/153094333.db2.gz ZWYFECIQDNPTQP-KRWDZBQOSA-N 2 2 339.483 3.228 10 0 EGAELP Cc1ccc2cc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)ccc2n1 ZINC000189751616 153094336 /nfs/dbraw/zinc/09/43/36/153094336.db2.gz ZWYFECIQDNPTQP-KRWDZBQOSA-N 2 2 339.483 3.228 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1cccs1 ZINC000191189987 153178718 /nfs/dbraw/zinc/17/87/18/153178718.db2.gz USBPFLUTOCMIHE-YOEHRIQHSA-N 2 2 347.532 3.267 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1cccs1 ZINC000191189987 153178721 /nfs/dbraw/zinc/17/87/21/153178721.db2.gz USBPFLUTOCMIHE-YOEHRIQHSA-N 2 2 347.532 3.267 10 0 EGAELP CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191981917 153234188 /nfs/dbraw/zinc/23/41/88/153234188.db2.gz PPNZVWVQFYNBGW-GOSISDBHSA-N 2 2 340.471 3.061 10 0 EGAELP CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191981917 153234193 /nfs/dbraw/zinc/23/41/93/153234193.db2.gz PPNZVWVQFYNBGW-GOSISDBHSA-N 2 2 340.471 3.061 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310231133 154143017 /nfs/dbraw/zinc/14/30/17/154143017.db2.gz JPOWVMDMTZRELA-BRWVUGGUSA-N 2 2 344.890 3.074 10 0 EGAELP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310231133 154143021 /nfs/dbraw/zinc/14/30/21/154143021.db2.gz JPOWVMDMTZRELA-BRWVUGGUSA-N 2 2 344.890 3.074 10 0 EGAELP COCc1cnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337376661 154318121 /nfs/dbraw/zinc/31/81/21/154318121.db2.gz GXPTVWNKMVXAEX-CQSZACIVSA-N 2 2 346.500 3.202 10 0 EGAELP COCc1cnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337376661 154318124 /nfs/dbraw/zinc/31/81/24/154318124.db2.gz GXPTVWNKMVXAEX-CQSZACIVSA-N 2 2 346.500 3.202 10 0 EGAELP CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000337395723 154331353 /nfs/dbraw/zinc/33/13/53/154331353.db2.gz PFDIROOEFHCMFQ-QGZVFWFLSA-N 2 2 327.476 3.206 10 0 EGAELP CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000337395723 154331354 /nfs/dbraw/zinc/33/13/54/154331354.db2.gz PFDIROOEFHCMFQ-QGZVFWFLSA-N 2 2 327.476 3.206 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500214 154385178 /nfs/dbraw/zinc/38/51/78/154385178.db2.gz VFHIHDZFOIJMKV-YESZJQIVSA-N 2 2 346.519 3.092 10 0 EGAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337500214 154385179 /nfs/dbraw/zinc/38/51/79/154385179.db2.gz VFHIHDZFOIJMKV-YESZJQIVSA-N 2 2 346.519 3.092 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682120 157264050 /nfs/dbraw/zinc/26/40/50/157264050.db2.gz FVWSXVJNBPIDDH-YLJYHZDGSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000368682120 157264052 /nfs/dbraw/zinc/26/40/52/157264052.db2.gz FVWSXVJNBPIDDH-YLJYHZDGSA-N 2 2 341.503 3.046 10 0 EGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1-c1ccccc1 ZINC000093691220 162024205 /nfs/dbraw/zinc/02/42/05/162024205.db2.gz KDAPXMXYTHYWLI-FQEVSTJZSA-N 2 2 334.423 3.229 10 0 EGAELP Cc1[nH+]cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)n1-c1ccccc1 ZINC000093691220 162024210 /nfs/dbraw/zinc/02/42/10/162024210.db2.gz KDAPXMXYTHYWLI-FQEVSTJZSA-N 2 2 334.423 3.229 10 0 EGAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251426 162149542 /nfs/dbraw/zinc/14/95/42/162149542.db2.gz QOWQHYXCMHWYCX-HXUWFJFHSA-N 2 2 346.434 3.110 10 0 EGAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251426 162149545 /nfs/dbraw/zinc/14/95/45/162149545.db2.gz QOWQHYXCMHWYCX-HXUWFJFHSA-N 2 2 346.434 3.110 10 0 EGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000125187043 162266429 /nfs/dbraw/zinc/26/64/29/162266429.db2.gz WKXRJCVROODCEZ-KRWDZBQOSA-N 2 2 349.563 3.268 10 0 EGAELP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000130365977 162365231 /nfs/dbraw/zinc/36/52/31/162365231.db2.gz KPLLMADLAHSFFU-MAUKXSAKSA-N 2 2 344.528 3.143 10 0 EGAELP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000130365977 162365233 /nfs/dbraw/zinc/36/52/33/162365233.db2.gz KPLLMADLAHSFFU-MAUKXSAKSA-N 2 2 344.528 3.143 10 0 EGAELP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248585185 163017505 /nfs/dbraw/zinc/01/75/05/163017505.db2.gz XIBMSTOLRDDUDM-JLZZUVOBSA-N 2 2 337.826 3.292 10 0 EGAELP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248585185 163017513 /nfs/dbraw/zinc/01/75/13/163017513.db2.gz XIBMSTOLRDDUDM-JLZZUVOBSA-N 2 2 337.826 3.292 10 0 EGAELP CSc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000338837518 163360357 /nfs/dbraw/zinc/36/03/57/163360357.db2.gz OQFVCHUHLOGZQO-MRXNPFEDSA-N 2 2 328.485 3.213 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000343835582 164047604 /nfs/dbraw/zinc/04/76/04/164047604.db2.gz CROPALMYLLMYMP-CZUORRHYSA-N 2 2 347.846 3.391 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000343835582 164047606 /nfs/dbraw/zinc/04/76/06/164047606.db2.gz CROPALMYLLMYMP-CZUORRHYSA-N 2 2 347.846 3.391 10 0 EGAELP CCCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912068 164064581 /nfs/dbraw/zinc/06/45/81/164064581.db2.gz BUAICBMTCOHHGO-PMACEKPBSA-N 2 2 345.531 3.450 10 0 EGAELP CCCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912068 164064593 /nfs/dbraw/zinc/06/45/93/164064593.db2.gz BUAICBMTCOHHGO-PMACEKPBSA-N 2 2 345.531 3.450 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343954030 164072320 /nfs/dbraw/zinc/07/23/20/164072320.db2.gz ARYAZNCXQFMOML-INIZCTEOSA-N 2 2 344.528 3.293 10 0 EGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343954030 164072322 /nfs/dbraw/zinc/07/23/22/164072322.db2.gz ARYAZNCXQFMOML-INIZCTEOSA-N 2 2 344.528 3.293 10 0 EGAELP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000344089803 164100782 /nfs/dbraw/zinc/10/07/82/164100782.db2.gz FHGLKFRSROZOSB-IBGZPJMESA-N 2 2 337.552 3.220 10 0 EGAELP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000344089803 164100784 /nfs/dbraw/zinc/10/07/84/164100784.db2.gz FHGLKFRSROZOSB-IBGZPJMESA-N 2 2 337.552 3.220 10 0 EGAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344144862 164113869 /nfs/dbraw/zinc/11/38/69/164113869.db2.gz TUAJANRGULVWPJ-VAMGGRTRSA-N 2 2 349.563 3.364 10 0 EGAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344144862 164113872 /nfs/dbraw/zinc/11/38/72/164113872.db2.gz TUAJANRGULVWPJ-VAMGGRTRSA-N 2 2 349.563 3.364 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346152270 164350797 /nfs/dbraw/zinc/35/07/97/164350797.db2.gz ZQQMPONONHIKRF-UHFFFAOYSA-N 3 2 332.517 3.488 10 0 EGAELP Cc1noc([C@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000346169316 164355779 /nfs/dbraw/zinc/35/57/79/164355779.db2.gz JBIJNJCOJFSOKE-ZDUSSCGKSA-N 2 2 329.429 3.005 10 0 EGAELP Cc1noc([C@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000346169316 164355780 /nfs/dbraw/zinc/35/57/80/164355780.db2.gz JBIJNJCOJFSOKE-ZDUSSCGKSA-N 2 2 329.429 3.005 10 0 EGAELP [NH3+]CCCN(Cc1ccc(N2CCCC2)[nH+]c1)c1ccccc1F ZINC000346357534 164374171 /nfs/dbraw/zinc/37/41/71/164374171.db2.gz FMVAMJRNBXYHFM-UHFFFAOYSA-N 2 2 328.435 3.176 10 0 EGAELP CCc1oc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000355376444 166178487 /nfs/dbraw/zinc/17/84/87/166178487.db2.gz YBKFQTCBLHNDST-UHFFFAOYSA-N 2 2 336.439 3.416 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359059816 167054119 /nfs/dbraw/zinc/05/41/19/167054119.db2.gz WBUFQTVYCXLMQG-NNGSBXSVSA-N 2 2 345.487 3.321 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123279830 222247763 /nfs/dbraw/zinc/24/77/63/222247763.db2.gz VBRULKOCLCLVAQ-WBVHZDCISA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123279830 222247765 /nfs/dbraw/zinc/24/77/65/222247765.db2.gz VBRULKOCLCLVAQ-WBVHZDCISA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279830 222247766 /nfs/dbraw/zinc/24/77/66/222247766.db2.gz VBRULKOCLCLVAQ-WBVHZDCISA-N 2 2 325.456 3.193 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123279830 222247770 /nfs/dbraw/zinc/24/77/70/222247770.db2.gz VBRULKOCLCLVAQ-WBVHZDCISA-N 2 2 325.456 3.193 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000195299142 266172317 /nfs/dbraw/zinc/17/23/17/266172317.db2.gz FFVHUYQKNNVEIK-GOSISDBHSA-N 2 2 345.437 3.356 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000195299142 266172318 /nfs/dbraw/zinc/17/23/18/266172318.db2.gz FFVHUYQKNNVEIK-GOSISDBHSA-N 2 2 345.437 3.356 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000195299142 266172320 /nfs/dbraw/zinc/17/23/20/266172320.db2.gz FFVHUYQKNNVEIK-GOSISDBHSA-N 2 2 345.437 3.356 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000279730644 275354162 /nfs/dbraw/zinc/35/41/62/275354162.db2.gz NFHZCIYPEVQUDW-IAGOWNOFSA-N 2 2 341.503 3.105 10 0 EGAELP c1c[nH]c([C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CCCCC2)n1 ZINC000285522238 275885100 /nfs/dbraw/zinc/88/51/00/275885100.db2.gz FAJKFENMASBGFI-QGZVFWFLSA-N 2 2 336.443 3.402 10 0 EGAELP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000374230065 277849055 /nfs/dbraw/zinc/84/90/55/277849055.db2.gz LXFCACGTONFWGF-QGZVFWFLSA-N 2 2 329.419 3.187 10 0 EGAELP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000338637744 279100096 /nfs/dbraw/zinc/10/00/96/279100096.db2.gz OWWSACUZQIPPAU-NHCUHLMSSA-N 2 2 345.531 3.295 10 0 EGAELP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000338981098 293201057 /nfs/dbraw/zinc/20/10/57/293201057.db2.gz KLBKOHYWRCMDAK-FQEVSTJZSA-N 2 2 344.547 3.115 10 0 EGAELP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000338981098 293201058 /nfs/dbraw/zinc/20/10/58/293201058.db2.gz KLBKOHYWRCMDAK-FQEVSTJZSA-N 2 2 344.547 3.115 10 0 EGAELP Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000347279598 301058136 /nfs/dbraw/zinc/05/81/36/301058136.db2.gz FTDILOVBOZFLNM-KRWDZBQOSA-N 2 2 347.466 3.201 10 0 EGAELP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000347279598 301058137 /nfs/dbraw/zinc/05/81/37/301058137.db2.gz FTDILOVBOZFLNM-KRWDZBQOSA-N 2 2 347.466 3.201 10 0 EGAELP Cc1cc(Br)cc2c1[C@H]([NH2+]CCc1cn(C)c[nH+]1)CC2 ZINC000414128764 309062557 /nfs/dbraw/zinc/06/25/57/309062557.db2.gz SPYJNBINSUXVIV-OAHLLOKOSA-N 2 2 334.261 3.311 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)CC3 ZINC000248430190 308002931 /nfs/dbraw/zinc/00/29/31/308002931.db2.gz PUDQIMBLEMFZFQ-VTJXTGGHSA-N 2 2 341.499 3.352 10 0 EGAELP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)CC3 ZINC000248430190 308002933 /nfs/dbraw/zinc/00/29/33/308002933.db2.gz PUDQIMBLEMFZFQ-VTJXTGGHSA-N 2 2 341.499 3.352 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc(Br)ccc2Cl)c1 ZINC000313254845 308764937 /nfs/dbraw/zinc/76/49/37/308764937.db2.gz UQMTUZQJLHVKCG-UHFFFAOYSA-N 2 2 328.641 3.168 10 0 EGAELP COc1cc2[nH+]ccc(NCc3[nH+]ccn3CC(C)C)c2cc1OC ZINC000413156945 309018733 /nfs/dbraw/zinc/01/87/33/309018733.db2.gz GNHFSARIAMURJM-UHFFFAOYSA-N 2 2 340.427 3.139 10 0 EGAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414907466 309108472 /nfs/dbraw/zinc/10/84/72/309108472.db2.gz AUBDRFQKDMTRFR-CABZTGNLSA-N 2 2 349.219 3.138 10 0 EGAELP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000415012692 309114237 /nfs/dbraw/zinc/11/42/37/309114237.db2.gz JOLVGJGSBTVBCX-HUUCEWRRSA-N 2 2 344.455 3.108 10 0 EGAELP Cc1cn2cc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)ccc2[nH+]1 ZINC000415128941 309122311 /nfs/dbraw/zinc/12/23/11/309122311.db2.gz OXBDJHAOSNAAST-KRWDZBQOSA-N 2 2 337.427 3.244 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416333286 309169144 /nfs/dbraw/zinc/16/91/44/309169144.db2.gz KYPWFGNSJICMLM-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000419258543 309262417 /nfs/dbraw/zinc/26/24/17/309262417.db2.gz BROADNSNOXBRBZ-MRXNPFEDSA-N 2 2 329.488 3.237 10 0 EGAELP FC(F)(F)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923224 309301386 /nfs/dbraw/zinc/30/13/86/309301386.db2.gz PURJJXKRNHJBFK-KRWDZBQOSA-N 2 2 342.405 3.293 10 0 EGAELP FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923224 309301387 /nfs/dbraw/zinc/30/13/87/309301387.db2.gz PURJJXKRNHJBFK-KRWDZBQOSA-N 2 2 342.405 3.293 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000422735908 309365922 /nfs/dbraw/zinc/36/59/22/309365922.db2.gz FNNAZHHMVBXOKT-SQGPQFPESA-N 3 2 338.499 3.335 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000422735908 309365923 /nfs/dbraw/zinc/36/59/23/309365923.db2.gz FNNAZHHMVBXOKT-SQGPQFPESA-N 3 2 338.499 3.335 10 0 EGAELP c1csc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCCCC2)c1 ZINC000422762981 309367039 /nfs/dbraw/zinc/36/70/39/309367039.db2.gz IPUITSAFCJXCAX-FUHWJXTLSA-N 2 2 334.529 3.307 10 0 EGAELP Clc1ccc(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422824851 309370433 /nfs/dbraw/zinc/37/04/33/309370433.db2.gz ORPROYJDYHXYEQ-IRXDYDNUSA-N 2 2 343.298 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422829667 309370703 /nfs/dbraw/zinc/37/07/03/309370703.db2.gz QFYKKJOBALERQK-PMACEKPBSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCOC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422829668 309370763 /nfs/dbraw/zinc/37/07/63/309370763.db2.gz QFYKKJOBALERQK-UXHICEINSA-N 2 2 332.488 3.427 10 0 EGAELP COc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C(F)(F)F)c1 ZINC000422884872 309374173 /nfs/dbraw/zinc/37/41/73/309374173.db2.gz XUVOSLCWCKSYPT-JTQLQIEISA-N 2 2 325.334 3.372 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1c[nH+]ccc1N ZINC000422887244 309374268 /nfs/dbraw/zinc/37/42/68/309374268.db2.gz ARCMEANEDQAWOD-HNNXBMFYSA-N 2 2 325.460 3.120 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423105796 309386177 /nfs/dbraw/zinc/38/61/77/309386177.db2.gz CKZXTPYXYAWSIT-SWHYSGLUSA-N 2 2 325.250 3.003 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H]2COc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423122841 309387085 /nfs/dbraw/zinc/38/70/85/309387085.db2.gz LFOARCAUTWJIES-SCWSEQNSSA-N 2 2 338.451 3.254 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137456 309387972 /nfs/dbraw/zinc/38/79/72/309387972.db2.gz QZYZASBKSRSSRJ-NHCUHLMSSA-N 3 2 345.531 3.344 10 0 EGAELP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@H]2CCC[NH2+]2)cc1 ZINC000423169315 309388972 /nfs/dbraw/zinc/38/89/72/309388972.db2.gz JAHAMKASYJWUEO-MKXGPGLRSA-N 2 2 330.472 3.036 10 0 EGAELP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423188049 309389729 /nfs/dbraw/zinc/38/97/29/309389729.db2.gz QBSHHLMUKZTVNX-KDJJVYBXSA-N 2 2 328.500 3.315 10 0 EGAELP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423196520 309390034 /nfs/dbraw/zinc/39/00/34/309390034.db2.gz ZXCNCBVOAJALJZ-XGXHKWSGSA-N 2 2 334.891 3.333 10 0 EGAELP CCOc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423237058 309391859 /nfs/dbraw/zinc/39/18/59/309391859.db2.gz SNXYDMULVVKQNN-OAHLLOKOSA-N 2 2 326.444 3.063 10 0 EGAELP Cn1ccc([C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423345196 309396487 /nfs/dbraw/zinc/39/64/87/309396487.db2.gz OURHUGIZVYTDHF-QZTJIDSGSA-N 2 2 332.879 3.142 10 0 EGAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423353976 309396858 /nfs/dbraw/zinc/39/68/58/309396858.db2.gz CISAZSFVAPETSN-TURNYIBQSA-N 2 2 327.241 3.163 10 0 EGAELP CN(C)c1[nH+]cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)n1C ZINC000425337692 309474177 /nfs/dbraw/zinc/47/41/77/309474177.db2.gz NKZRBVUCHUKZPE-UHFFFAOYSA-N 2 2 330.398 3.231 10 0 EGAELP CCc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000439555744 309835842 /nfs/dbraw/zinc/83/58/42/309835842.db2.gz GZKPGEITHQYSSI-OAHLLOKOSA-N 2 2 328.460 3.469 10 0 EGAELP Cc1ccsc1[C@H](CO)[NH2+]Cc1c[nH+]cn1Cc1ccccc1 ZINC000445996037 309953210 /nfs/dbraw/zinc/95/32/10/309953210.db2.gz NWZQPLKILRNKCX-KRWDZBQOSA-N 2 2 327.453 3.125 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449185105 310043029 /nfs/dbraw/zinc/04/30/29/310043029.db2.gz GAFIDINVDOGXFI-IIMNLJJBSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449185105 310043030 /nfs/dbraw/zinc/04/30/30/310043030.db2.gz GAFIDINVDOGXFI-IIMNLJJBSA-N 2 2 327.241 3.115 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000449247577 310047424 /nfs/dbraw/zinc/04/74/24/310047424.db2.gz GQCVXJKKOAUSGG-OXQOHEQNSA-N 2 2 344.524 3.467 10 0 EGAELP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449304587 310051847 /nfs/dbraw/zinc/05/18/47/310051847.db2.gz ZKUCGKWFOJMQSJ-UHFFFAOYSA-N 2 2 342.462 3.333 10 0 EGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398364 310058864 /nfs/dbraw/zinc/05/88/64/310058864.db2.gz YAOMEQYGXRUDFV-WOJBJXKFSA-N 2 2 332.463 3.198 10 0 EGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449398364 310058865 /nfs/dbraw/zinc/05/88/65/310058865.db2.gz YAOMEQYGXRUDFV-WOJBJXKFSA-N 2 2 332.463 3.198 10 0 EGAELP c1[nH+]c(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)n2c1CCCC2 ZINC000450877983 310147416 /nfs/dbraw/zinc/14/74/16/310147416.db2.gz LBFHCDJUJIWEIJ-UHFFFAOYSA-N 2 2 343.500 3.328 10 0 EGAELP COC1([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000453114085 310258917 /nfs/dbraw/zinc/25/89/17/310258917.db2.gz HLVZZEYGNSZQLD-IRXDYDNUSA-N 2 2 334.504 3.290 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000453197812 310263584 /nfs/dbraw/zinc/26/35/84/310263584.db2.gz GRRNZMNMSMSPCP-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000453197812 310263585 /nfs/dbraw/zinc/26/35/85/310263585.db2.gz GRRNZMNMSMSPCP-AZUAARDMSA-N 2 2 346.515 3.215 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059621 311162858 /nfs/dbraw/zinc/16/28/58/311162858.db2.gz STQBHTJZWQYZND-RTBURBONSA-N 2 2 337.552 3.125 10 0 EGAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059621 311162859 /nfs/dbraw/zinc/16/28/59/311162859.db2.gz STQBHTJZWQYZND-RTBURBONSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064701 311163038 /nfs/dbraw/zinc/16/30/38/311163038.db2.gz ZCWDQVXZLVEKGQ-AABGKKOBSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064701 311163039 /nfs/dbraw/zinc/16/30/39/311163039.db2.gz ZCWDQVXZLVEKGQ-AABGKKOBSA-N 2 2 349.563 3.269 10 0 EGAELP C[C@@H](CC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000500728240 311931104 /nfs/dbraw/zinc/93/11/04/311931104.db2.gz DXOWHNDVPJUKAX-KRWDZBQOSA-N 2 2 337.552 3.125 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510994195 312152688 /nfs/dbraw/zinc/15/26/88/312152688.db2.gz AGRFRZUHPXOYRD-DUXKGJEZSA-N 2 2 341.543 3.359 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510994195 312152689 /nfs/dbraw/zinc/15/26/89/312152689.db2.gz AGRFRZUHPXOYRD-DUXKGJEZSA-N 2 2 341.543 3.359 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc(Cl)c(F)c1 ZINC000528424589 313090483 /nfs/dbraw/zinc/09/04/83/313090483.db2.gz KQAZKYHVELDYFH-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944585 314219064 /nfs/dbraw/zinc/21/90/64/314219064.db2.gz HIWNOICIMMWGSR-GLFJAGTFSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944585 314219066 /nfs/dbraw/zinc/21/90/66/314219066.db2.gz HIWNOICIMMWGSR-GLFJAGTFSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944585 314219069 /nfs/dbraw/zinc/21/90/69/314219069.db2.gz HIWNOICIMMWGSR-GLFJAGTFSA-N 2 2 339.886 3.012 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537944585 314219070 /nfs/dbraw/zinc/21/90/70/314219070.db2.gz HIWNOICIMMWGSR-GLFJAGTFSA-N 2 2 339.886 3.012 10 0 EGAELP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC(C)(C)[NH2+]C)c1 ZINC000540552102 314388546 /nfs/dbraw/zinc/38/85/46/314388546.db2.gz ZPQOATNQLUUDOH-UHFFFAOYSA-N 2 2 343.475 3.470 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000551267690 315147250 /nfs/dbraw/zinc/14/72/50/315147250.db2.gz SMKCOFIVSINUEG-INIZCTEOSA-N 2 2 335.455 3.045 10 0 EGAELP CC(C)C[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000563007992 315941386 /nfs/dbraw/zinc/94/13/86/315941386.db2.gz QRNSKDHBALQKIS-IMJJTQAJSA-N 2 2 332.410 3.265 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000163308683 454838790 /nfs/dbraw/zinc/83/87/90/454838790.db2.gz FDTHCFYWXZYUDT-ZIAGYGMSSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000163308683 454838792 /nfs/dbraw/zinc/83/87/92/454838792.db2.gz FDTHCFYWXZYUDT-ZIAGYGMSSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177286672 323338988 /nfs/dbraw/zinc/33/89/88/323338988.db2.gz XLALITNNKMHYQR-XJKSGUPXSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177286672 323338990 /nfs/dbraw/zinc/33/89/90/323338990.db2.gz XLALITNNKMHYQR-XJKSGUPXSA-N 2 2 341.293 3.211 10 0 EGAELP CC[C@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057770 455219379 /nfs/dbraw/zinc/21/93/79/455219379.db2.gz VHJRZEFRJFPAIG-RBUKOAKNSA-N 2 2 332.536 3.496 10 0 EGAELP CC[C@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000183057770 455219383 /nfs/dbraw/zinc/21/93/83/455219383.db2.gz VHJRZEFRJFPAIG-RBUKOAKNSA-N 2 2 332.536 3.496 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675896 455220057 /nfs/dbraw/zinc/22/00/57/455220057.db2.gz FXORXGFLTOYEQH-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675896 455220059 /nfs/dbraw/zinc/22/00/59/455220059.db2.gz FXORXGFLTOYEQH-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675896 455220062 /nfs/dbraw/zinc/22/00/62/455220062.db2.gz FXORXGFLTOYEQH-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@H](C)C1 ZINC000157675896 455220063 /nfs/dbraw/zinc/22/00/63/455220063.db2.gz FXORXGFLTOYEQH-RDTXWAMCSA-N 2 2 348.441 3.313 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173380107 455276737 /nfs/dbraw/zinc/27/67/37/455276737.db2.gz QDMRNJSZUHNMGC-XJKSGUPXSA-N 2 2 341.293 3.211 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173380107 455276743 /nfs/dbraw/zinc/27/67/43/455276743.db2.gz QDMRNJSZUHNMGC-XJKSGUPXSA-N 2 2 341.293 3.211 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445406 460554217 /nfs/dbraw/zinc/55/42/17/460554217.db2.gz PQIVNCRWNBFWQW-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623445406 460554220 /nfs/dbraw/zinc/55/42/20/460554220.db2.gz PQIVNCRWNBFWQW-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP Cc1cc(F)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190475006 455327023 /nfs/dbraw/zinc/32/70/23/455327023.db2.gz ZUISIBRTKWOYGW-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190475006 455327028 /nfs/dbraw/zinc/32/70/28/455327028.db2.gz ZUISIBRTKWOYGW-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475006 455327033 /nfs/dbraw/zinc/32/70/33/455327033.db2.gz ZUISIBRTKWOYGW-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475006 455327037 /nfs/dbraw/zinc/32/70/37/455327037.db2.gz ZUISIBRTKWOYGW-GOSISDBHSA-N 2 2 327.447 3.483 10 0 EGAELP C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000631880633 460587249 /nfs/dbraw/zinc/58/72/49/460587249.db2.gz ZQLDUVMMACKGIL-JKSUJKDBSA-N 2 2 328.378 3.005 10 0 EGAELP C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000631880633 460587255 /nfs/dbraw/zinc/58/72/55/460587255.db2.gz ZQLDUVMMACKGIL-JKSUJKDBSA-N 2 2 328.378 3.005 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245697062 455358173 /nfs/dbraw/zinc/35/81/73/455358173.db2.gz BEUCQMQKZMQLNU-UZLBHIALSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245697062 455358177 /nfs/dbraw/zinc/35/81/77/455358177.db2.gz BEUCQMQKZMQLNU-UZLBHIALSA-N 2 2 335.455 3.460 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043676959 454072783 /nfs/dbraw/zinc/07/27/83/454072783.db2.gz BKYVEAREQZXXTO-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043676959 454072785 /nfs/dbraw/zinc/07/27/85/454072785.db2.gz BKYVEAREQZXXTO-AAEUAGOBSA-N 2 2 329.307 3.475 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000058316934 454185485 /nfs/dbraw/zinc/18/54/85/454185485.db2.gz NUNTWKAVWCIEBN-UHFFFAOYSA-N 2 2 342.487 3.483 10 0 EGAELP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)c3nccs3)CC[N@@H+]2C)cc1 ZINC000097032848 454390293 /nfs/dbraw/zinc/39/02/93/454390293.db2.gz SIKDNZQPNFSBAU-JLJPHGGASA-N 2 2 331.485 3.495 10 0 EGAELP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)c3nccs3)CC[N@H+]2C)cc1 ZINC000097032848 454390295 /nfs/dbraw/zinc/39/02/95/454390295.db2.gz SIKDNZQPNFSBAU-JLJPHGGASA-N 2 2 331.485 3.495 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133571041 454441268 /nfs/dbraw/zinc/44/12/68/454441268.db2.gz WUDGACULFFEQFS-GDBMZVCRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133571041 454441272 /nfs/dbraw/zinc/44/12/72/454441272.db2.gz WUDGACULFFEQFS-GDBMZVCRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133571041 454441276 /nfs/dbraw/zinc/44/12/76/454441276.db2.gz WUDGACULFFEQFS-GDBMZVCRSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000133571041 454441279 /nfs/dbraw/zinc/44/12/79/454441279.db2.gz WUDGACULFFEQFS-GDBMZVCRSA-N 2 2 337.895 3.249 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000080980055 454664534 /nfs/dbraw/zinc/66/45/34/454664534.db2.gz JTTHEBSHMDDTNK-KRWDZBQOSA-N 2 2 335.455 3.243 10 0 EGAELP Cc1nc2[nH]ccc2c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000080980055 454664538 /nfs/dbraw/zinc/66/45/38/454664538.db2.gz JTTHEBSHMDDTNK-KRWDZBQOSA-N 2 2 335.455 3.243 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095933 454685450 /nfs/dbraw/zinc/68/54/50/454685450.db2.gz KUPUHBCITXLRBW-WMLDXEAASA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095933 454685454 /nfs/dbraw/zinc/68/54/54/454685454.db2.gz KUPUHBCITXLRBW-WMLDXEAASA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000081095933 454685456 /nfs/dbraw/zinc/68/54/56/454685456.db2.gz KUPUHBCITXLRBW-WMLDXEAASA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000081095933 454685459 /nfs/dbraw/zinc/68/54/59/454685459.db2.gz KUPUHBCITXLRBW-WMLDXEAASA-N 2 2 332.467 3.357 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106216509 454685564 /nfs/dbraw/zinc/68/55/64/454685564.db2.gz MRKKUALJRIQGCZ-SFHVURJKSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106216509 454685569 /nfs/dbraw/zinc/68/55/69/454685569.db2.gz MRKKUALJRIQGCZ-SFHVURJKSA-N 2 2 340.471 3.338 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095553 454685657 /nfs/dbraw/zinc/68/56/57/454685657.db2.gz XWHDZTSTCLWRTR-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095553 454685659 /nfs/dbraw/zinc/68/56/59/454685659.db2.gz XWHDZTSTCLWRTR-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095553 454685661 /nfs/dbraw/zinc/68/56/61/454685661.db2.gz XWHDZTSTCLWRTR-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000081095553 454685663 /nfs/dbraw/zinc/68/56/63/454685663.db2.gz XWHDZTSTCLWRTR-WBVHZDCISA-N 2 2 328.460 3.207 10 0 EGAELP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000161899820 454734117 /nfs/dbraw/zinc/73/41/17/454734117.db2.gz LACGCYKYHFKBRA-MJGOQNOKSA-N 2 2 349.482 3.300 10 0 EGAELP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000161899820 454734121 /nfs/dbraw/zinc/73/41/21/454734121.db2.gz LACGCYKYHFKBRA-MJGOQNOKSA-N 2 2 349.482 3.300 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000152971228 454748889 /nfs/dbraw/zinc/74/88/89/454748889.db2.gz RKNUBPXHBCQDQW-BNDYYXHWSA-N 2 2 328.500 3.444 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000152971228 454748892 /nfs/dbraw/zinc/74/88/92/454748892.db2.gz RKNUBPXHBCQDQW-BNDYYXHWSA-N 2 2 328.500 3.444 10 0 EGAELP C[N@H+]([C@H]1CCc2ccc(F)cc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000177025471 454812796 /nfs/dbraw/zinc/81/27/96/454812796.db2.gz HADAYRAVIAOLCC-FQEVSTJZSA-N 2 2 342.462 3.106 10 0 EGAELP C[N@@H+]([C@H]1CCc2ccc(F)cc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000177025471 454812801 /nfs/dbraw/zinc/81/28/01/454812801.db2.gz HADAYRAVIAOLCC-FQEVSTJZSA-N 2 2 342.462 3.106 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000163334537 454840076 /nfs/dbraw/zinc/84/00/76/454840076.db2.gz HJZJCYANPWKRBF-ZFWWWQNUSA-N 2 2 326.481 3.309 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000163334537 454840078 /nfs/dbraw/zinc/84/00/78/454840078.db2.gz HJZJCYANPWKRBF-ZFWWWQNUSA-N 2 2 326.481 3.309 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163463637 454849025 /nfs/dbraw/zinc/84/90/25/454849025.db2.gz DXHRYOKBDVQTGX-GOSISDBHSA-N 3 2 327.476 3.109 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163463637 454849027 /nfs/dbraw/zinc/84/90/27/454849027.db2.gz DXHRYOKBDVQTGX-GOSISDBHSA-N 3 2 327.476 3.109 10 0 EGAELP Brc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000112143113 454880836 /nfs/dbraw/zinc/88/08/36/454880836.db2.gz OXMPSMGIAGQQHU-UHFFFAOYSA-N 2 2 338.274 3.228 10 0 EGAELP C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605234 454940546 /nfs/dbraw/zinc/94/05/46/454940546.db2.gz ZKYJSVSYVNXLMQ-AWEZNQCLSA-N 2 2 348.410 3.112 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151269494 454961429 /nfs/dbraw/zinc/96/14/29/454961429.db2.gz KAAYJEQFMDYOOH-GJZGRUSLSA-N 2 2 342.430 3.094 10 0 EGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000151298948 454965169 /nfs/dbraw/zinc/96/51/69/454965169.db2.gz HPBRWOQZRXKQKH-UONOGXRCSA-N 2 2 330.394 3.203 10 0 EGAELP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151300560 454965352 /nfs/dbraw/zinc/96/53/52/454965352.db2.gz LBCDBQZEUGRVKN-HKUYNNGSSA-N 2 2 334.504 3.219 10 0 EGAELP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000151527645 454997264 /nfs/dbraw/zinc/99/72/64/454997264.db2.gz JTBOXQDHCVCHIU-CQSZACIVSA-N 2 2 325.441 3.199 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cc2)c[nH+]1 ZINC000152457476 455121844 /nfs/dbraw/zinc/12/18/44/455121844.db2.gz SMHCORRRPADKKF-QGZVFWFLSA-N 2 2 348.454 3.178 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cc2)c[nH+]1 ZINC000152457476 455121848 /nfs/dbraw/zinc/12/18/48/455121848.db2.gz SMHCORRRPADKKF-QGZVFWFLSA-N 2 2 348.454 3.178 10 0 EGAELP C[N@H+](CC(C)(C)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095478 455131228 /nfs/dbraw/zinc/13/12/28/455131228.db2.gz NUDBKIVKOXJAEX-UHFFFAOYSA-N 2 2 340.515 3.257 10 0 EGAELP C[N@@H+](CC(C)(C)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095478 455131233 /nfs/dbraw/zinc/13/12/33/455131233.db2.gz NUDBKIVKOXJAEX-UHFFFAOYSA-N 2 2 340.515 3.257 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccs1 ZINC000180564694 455197881 /nfs/dbraw/zinc/19/78/81/455197881.db2.gz HVSFCPHMRDEXCF-KBPBESRZSA-N 2 2 331.489 3.290 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429086 455297152 /nfs/dbraw/zinc/29/71/52/455297152.db2.gz MWGJELALYALEMJ-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429086 455297154 /nfs/dbraw/zinc/29/71/54/455297154.db2.gz MWGJELALYALEMJ-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429086 455297156 /nfs/dbraw/zinc/29/71/56/455297156.db2.gz MWGJELALYALEMJ-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000245429086 455297157 /nfs/dbraw/zinc/29/71/57/455297157.db2.gz MWGJELALYALEMJ-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183689347 455321325 /nfs/dbraw/zinc/32/13/25/455321325.db2.gz LZAHNYDZOVCIBY-STQMWFEESA-N 2 2 341.415 3.122 10 0 EGAELP Cc1nc(N2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)cc[nH+]1 ZINC000183802102 455329377 /nfs/dbraw/zinc/32/93/77/455329377.db2.gz IXXNATGZYOGVNE-SFHVURJKSA-N 2 2 326.419 3.124 10 0 EGAELP Cc1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190486472 455330407 /nfs/dbraw/zinc/33/04/07/455330407.db2.gz BIMTWYSLVBTFBM-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190486472 455330412 /nfs/dbraw/zinc/33/04/12/455330412.db2.gz BIMTWYSLVBTFBM-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190486472 455330416 /nfs/dbraw/zinc/33/04/16/455330416.db2.gz BIMTWYSLVBTFBM-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190486472 455330421 /nfs/dbraw/zinc/33/04/21/455330421.db2.gz BIMTWYSLVBTFBM-KRWDZBQOSA-N 2 2 330.501 3.109 10 0 EGAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245855494 455386431 /nfs/dbraw/zinc/38/64/31/455386431.db2.gz OEWFJYKEBFDQGK-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245855494 455386434 /nfs/dbraw/zinc/38/64/34/455386434.db2.gz OEWFJYKEBFDQGK-ROUUACIJSA-N 2 2 335.536 3.022 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081485 455422378 /nfs/dbraw/zinc/42/23/78/455422378.db2.gz HWZCQSSPXWQXMS-RDTXWAMCSA-N 2 2 328.435 3.132 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081485 455422380 /nfs/dbraw/zinc/42/23/80/455422380.db2.gz HWZCQSSPXWQXMS-RDTXWAMCSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081485 455422386 /nfs/dbraw/zinc/42/23/86/455422386.db2.gz HWZCQSSPXWQXMS-RDTXWAMCSA-N 2 2 328.435 3.132 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@H]21 ZINC000246081485 455422387 /nfs/dbraw/zinc/42/23/87/455422387.db2.gz HWZCQSSPXWQXMS-RDTXWAMCSA-N 2 2 328.435 3.132 10 0 EGAELP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113408 455430119 /nfs/dbraw/zinc/43/01/19/455430119.db2.gz JZOIEXDIVDKPSH-MSOLQXFVSA-N 2 2 346.519 3.146 10 0 EGAELP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113408 455430123 /nfs/dbraw/zinc/43/01/23/455430123.db2.gz JZOIEXDIVDKPSH-MSOLQXFVSA-N 2 2 346.519 3.146 10 0 EGAELP Clc1ccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246453244 455493104 /nfs/dbraw/zinc/49/31/04/455493104.db2.gz FAHUVFXDOLTOOO-KSSFIOAISA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246453244 455493109 /nfs/dbraw/zinc/49/31/09/455493109.db2.gz FAHUVFXDOLTOOO-KSSFIOAISA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246453244 455493113 /nfs/dbraw/zinc/49/31/13/455493113.db2.gz FAHUVFXDOLTOOO-KSSFIOAISA-N 2 2 344.890 3.436 10 0 EGAELP Clc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246453244 455493117 /nfs/dbraw/zinc/49/31/17/455493117.db2.gz FAHUVFXDOLTOOO-KSSFIOAISA-N 2 2 344.890 3.436 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192172439 455568659 /nfs/dbraw/zinc/56/86/59/455568659.db2.gz XQGWAEDYIROMNZ-WMLDXEAASA-N 2 2 325.412 3.009 10 0 EGAELP CCC(C)(C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187069 455570378 /nfs/dbraw/zinc/57/03/78/455570378.db2.gz VEADDVYTQXEGII-HKUYNNGSSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187069 455570382 /nfs/dbraw/zinc/57/03/82/455570382.db2.gz VEADDVYTQXEGII-HKUYNNGSSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187069 455570385 /nfs/dbraw/zinc/57/03/85/455570385.db2.gz VEADDVYTQXEGII-HKUYNNGSSA-N 2 2 345.531 3.276 10 0 EGAELP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187069 455570390 /nfs/dbraw/zinc/57/03/90/455570390.db2.gz VEADDVYTQXEGII-HKUYNNGSSA-N 2 2 345.531 3.276 10 0 EGAELP CC[NH+]1CCN(c2ccccc2NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000283807076 455597058 /nfs/dbraw/zinc/59/70/58/455597058.db2.gz CLRBQDCTGVETLO-UHFFFAOYSA-N 2 2 349.482 3.397 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183726 455695371 /nfs/dbraw/zinc/69/53/71/455695371.db2.gz WYBFTGRDKOOBFM-DOTOQJQBSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183726 455695375 /nfs/dbraw/zinc/69/53/75/455695375.db2.gz WYBFTGRDKOOBFM-DOTOQJQBSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183726 455695381 /nfs/dbraw/zinc/69/53/81/455695381.db2.gz WYBFTGRDKOOBFM-DOTOQJQBSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC[C@H]21 ZINC000248183726 455695388 /nfs/dbraw/zinc/69/53/88/455695388.db2.gz WYBFTGRDKOOBFM-DOTOQJQBSA-N 2 2 329.419 3.397 10 0 EGAELP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000250125533 455786139 /nfs/dbraw/zinc/78/61/39/455786139.db2.gz WBZRGKPOKBLMTM-PCCBWWKXSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000250125533 455786144 /nfs/dbraw/zinc/78/61/44/455786144.db2.gz WBZRGKPOKBLMTM-PCCBWWKXSA-N 3 2 327.516 3.258 10 0 EGAELP COc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261611854 455913525 /nfs/dbraw/zinc/91/35/25/455913525.db2.gz BZXCYXWCNZBUJX-QGZVFWFLSA-N 2 2 343.496 3.296 10 0 EGAELP COc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261611854 455913529 /nfs/dbraw/zinc/91/35/29/455913529.db2.gz BZXCYXWCNZBUJX-QGZVFWFLSA-N 2 2 343.496 3.296 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231832 455922562 /nfs/dbraw/zinc/92/25/62/455922562.db2.gz KIIAPBHQGGDTOM-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231832 455922566 /nfs/dbraw/zinc/92/25/66/455922566.db2.gz KIIAPBHQGGDTOM-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231832 455922570 /nfs/dbraw/zinc/92/25/70/455922570.db2.gz KIIAPBHQGGDTOM-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)[C@H](C)C1 ZINC000280231832 455922575 /nfs/dbraw/zinc/92/25/75/455922575.db2.gz KIIAPBHQGGDTOM-DNVCBOLYSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272457668 455957214 /nfs/dbraw/zinc/95/72/14/455957214.db2.gz XKLSTEDRBDCSGQ-MZADTFQBSA-N 3 2 327.516 3.256 10 0 EGAELP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000272457668 455957220 /nfs/dbraw/zinc/95/72/20/455957220.db2.gz XKLSTEDRBDCSGQ-MZADTFQBSA-N 3 2 327.516 3.256 10 0 EGAELP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261916004 455970828 /nfs/dbraw/zinc/97/08/28/455970828.db2.gz GZNUMMDJWKCCHE-QYJAPNMZSA-N 2 2 342.270 3.147 10 0 EGAELP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261916004 455970833 /nfs/dbraw/zinc/97/08/33/455970833.db2.gz GZNUMMDJWKCCHE-QYJAPNMZSA-N 2 2 342.270 3.147 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000261935216 455974340 /nfs/dbraw/zinc/97/43/40/455974340.db2.gz DCQNTMFAOGGRND-UHFFFAOYSA-N 2 2 334.467 3.184 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000261935216 455974350 /nfs/dbraw/zinc/97/43/50/455974350.db2.gz DCQNTMFAOGGRND-UHFFFAOYSA-N 2 2 334.467 3.184 10 0 EGAELP CCCCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000195516274 455976761 /nfs/dbraw/zinc/97/67/61/455976761.db2.gz HHGVIBNXJUNJEN-HNNXBMFYSA-N 2 2 329.448 3.050 10 0 EGAELP CCCCc1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000195516274 455976766 /nfs/dbraw/zinc/97/67/66/455976766.db2.gz HHGVIBNXJUNJEN-HNNXBMFYSA-N 2 2 329.448 3.050 10 0 EGAELP Cc1ccc(F)cc1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262074398 455992883 /nfs/dbraw/zinc/99/28/83/455992883.db2.gz CZHKRMMPAWBVTJ-SFHVURJKSA-N 2 2 342.462 3.012 10 0 EGAELP Cc1ccc(F)cc1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262074398 455992887 /nfs/dbraw/zinc/99/28/87/455992887.db2.gz CZHKRMMPAWBVTJ-SFHVURJKSA-N 2 2 342.462 3.012 10 0 EGAELP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262703081 456055155 /nfs/dbraw/zinc/05/51/55/456055155.db2.gz KAZULGDWSIMPAU-KDOFPFPSSA-N 2 2 337.895 3.063 10 0 EGAELP Cn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccc(Cl)cc21 ZINC000271219822 456179284 /nfs/dbraw/zinc/17/92/84/456179284.db2.gz ZYAAMALLQZTQRC-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]1n1cc[nH+]c1 ZINC000189123340 456234146 /nfs/dbraw/zinc/23/41/46/456234146.db2.gz BKGNFQMASFPHRR-CJNGLKHVSA-N 2 2 341.390 3.155 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]1n1cc[nH+]c1 ZINC000189123340 456234151 /nfs/dbraw/zinc/23/41/51/456234151.db2.gz BKGNFQMASFPHRR-CJNGLKHVSA-N 2 2 341.390 3.155 10 0 EGAELP CCC[NH+]1CCC(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301872355 456238041 /nfs/dbraw/zinc/23/80/41/456238041.db2.gz HNNNMMJTSBBAQV-UHFFFAOYSA-N 2 2 330.480 3.115 10 0 EGAELP C[NH+](C)CC1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301947814 456257584 /nfs/dbraw/zinc/25/75/84/456257584.db2.gz YGQLZZGKZSDSFD-UHFFFAOYSA-N 2 2 330.480 3.114 10 0 EGAELP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296462 456282369 /nfs/dbraw/zinc/28/23/69/456282369.db2.gz AUSPFAKEBDLIMI-NHYWBVRUSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296462 456282371 /nfs/dbraw/zinc/28/23/71/456282371.db2.gz AUSPFAKEBDLIMI-NHYWBVRUSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296462 456282376 /nfs/dbraw/zinc/28/23/76/456282376.db2.gz AUSPFAKEBDLIMI-NHYWBVRUSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296462 456282381 /nfs/dbraw/zinc/28/23/81/456282381.db2.gz AUSPFAKEBDLIMI-NHYWBVRUSA-N 2 2 329.257 3.360 10 0 EGAELP c1csc(C[NH+]2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)c1 ZINC000623809233 460725118 /nfs/dbraw/zinc/72/51/18/460725118.db2.gz XDZZEBCTGRNYIK-UHFFFAOYSA-N 2 2 349.463 3.266 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157644 456428853 /nfs/dbraw/zinc/42/88/53/456428853.db2.gz TZSVRGWBOYTDKP-MRXNPFEDSA-N 2 2 338.455 3.038 10 0 EGAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157644 456428859 /nfs/dbraw/zinc/42/88/59/456428859.db2.gz TZSVRGWBOYTDKP-MRXNPFEDSA-N 2 2 338.455 3.038 10 0 EGAELP CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239519 456453051 /nfs/dbraw/zinc/45/30/51/456453051.db2.gz ZWGWZEKYJRHWCO-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP CC(C)n1nccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282239519 456453056 /nfs/dbraw/zinc/45/30/56/456453056.db2.gz ZWGWZEKYJRHWCO-INIZCTEOSA-N 2 2 327.476 3.376 10 0 EGAELP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(C)cc3C)CC2)c1 ZINC000303255261 456454139 /nfs/dbraw/zinc/45/41/39/456454139.db2.gz OBKKKXOBHDJELJ-UHFFFAOYSA-N 2 2 325.456 3.338 10 0 EGAELP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000658224219 462434237 /nfs/dbraw/zinc/43/42/37/462434237.db2.gz OJFIIXHBFGXEJI-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000658224219 462434243 /nfs/dbraw/zinc/43/42/43/462434243.db2.gz OJFIIXHBFGXEJI-RDJZCZTQSA-N 2 2 343.446 3.230 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000343431701 456616738 /nfs/dbraw/zinc/61/67/38/456616738.db2.gz RJDNWTBMCZVHHL-OXQOHEQNSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)c2)cc1 ZINC000343431701 456616745 /nfs/dbraw/zinc/61/67/45/456616745.db2.gz RJDNWTBMCZVHHL-OXQOHEQNSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000343431698 456616816 /nfs/dbraw/zinc/61/68/16/456616816.db2.gz RJDNWTBMCZVHHL-OXJNMPFZSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000343431698 456616817 /nfs/dbraw/zinc/61/68/17/456616817.db2.gz RJDNWTBMCZVHHL-OXJNMPFZSA-N 2 2 337.467 3.287 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350846 456637963 /nfs/dbraw/zinc/63/79/63/456637963.db2.gz XXEQRZGJHKSELT-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321350846 456637967 /nfs/dbraw/zinc/63/79/67/456637967.db2.gz XXEQRZGJHKSELT-RHSMWYFYSA-N 2 2 335.879 3.051 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000348356137 456645634 /nfs/dbraw/zinc/64/56/34/456645634.db2.gz DWJUICJLIXPANP-NSCUHMNNSA-N 2 2 345.393 3.204 10 0 EGAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000338000609 456647708 /nfs/dbraw/zinc/64/77/08/456647708.db2.gz YRFFYKVKXIILEZ-PMACEKPBSA-N 2 2 344.499 3.066 10 0 EGAELP Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617028 456671204 /nfs/dbraw/zinc/67/12/04/456671204.db2.gz MQMRACDKEDRLLJ-WBVHZDCISA-N 2 2 329.419 3.445 10 0 EGAELP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)cc1 ZINC000324617028 456671211 /nfs/dbraw/zinc/67/12/11/456671211.db2.gz MQMRACDKEDRLLJ-WBVHZDCISA-N 2 2 329.419 3.445 10 0 EGAELP COC(=O)c1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)nc1C1CC1 ZINC000349191181 456908524 /nfs/dbraw/zinc/90/85/24/456908524.db2.gz NUXCPRRZHZQOFN-UHFFFAOYSA-N 2 2 339.439 3.171 10 0 EGAELP Cn1c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nc2ccc(Cl)cc21 ZINC000353903663 456959149 /nfs/dbraw/zinc/95/91/49/456959149.db2.gz XBZWDSVUQVSEPZ-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP Cn1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc2ccc(Cl)cc21 ZINC000353903663 456959153 /nfs/dbraw/zinc/95/91/53/456959153.db2.gz XBZWDSVUQVSEPZ-UHFFFAOYSA-N 2 2 329.835 3.329 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000339269795 457031063 /nfs/dbraw/zinc/03/10/63/457031063.db2.gz LTFBCSRYEYODGB-SFHVURJKSA-N 2 2 334.423 3.246 10 0 EGAELP Cc1cn2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000339269795 457031072 /nfs/dbraw/zinc/03/10/72/457031072.db2.gz LTFBCSRYEYODGB-SFHVURJKSA-N 2 2 334.423 3.246 10 0 EGAELP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1cccc(OC)c1 ZINC000354050231 457033053 /nfs/dbraw/zinc/03/30/53/457033053.db2.gz XEIVVQBWMDJYAA-SFHVURJKSA-N 2 2 340.471 3.280 10 0 EGAELP C[C@H]1[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000342299728 457222668 /nfs/dbraw/zinc/22/26/68/457222668.db2.gz BXJWXNLGOXZDDU-UWJYYQICSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@H]1[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000342299728 457222674 /nfs/dbraw/zinc/22/26/74/457222674.db2.gz BXJWXNLGOXZDDU-UWJYYQICSA-N 2 2 347.466 3.020 10 0 EGAELP CCCOc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342604532 457395870 /nfs/dbraw/zinc/39/58/70/457395870.db2.gz YNQDKUAVTNDNBR-UHFFFAOYSA-N 2 2 329.444 3.457 10 0 EGAELP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893449 457413474 /nfs/dbraw/zinc/41/34/74/457413474.db2.gz DTNJGDPTKALYLI-VQTJNVASSA-N 2 2 345.531 3.306 10 0 EGAELP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000360893449 457413478 /nfs/dbraw/zinc/41/34/78/457413478.db2.gz DTNJGDPTKALYLI-VQTJNVASSA-N 2 2 345.531 3.306 10 0 EGAELP C[C@H](CCC(C)(C)C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000342707732 457470072 /nfs/dbraw/zinc/47/00/72/457470072.db2.gz JYJSXKWZEGBPGM-GOSISDBHSA-N 3 2 332.536 3.398 10 0 EGAELP CC(C)n1c[nH+]cc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425339445 457505136 /nfs/dbraw/zinc/50/51/36/457505136.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1c[nH+]cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425339445 457505144 /nfs/dbraw/zinc/50/51/44/457505144.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425339445 457505152 /nfs/dbraw/zinc/50/51/52/457505152.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000425339445 457505159 /nfs/dbraw/zinc/50/51/59/457505159.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425339445 457505168 /nfs/dbraw/zinc/50/51/68/457505168.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1cncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425339445 457505175 /nfs/dbraw/zinc/50/51/75/457505175.db2.gz SDKLUDKCWHLZFL-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc(Cl)c1 ZINC000374200405 457520214 /nfs/dbraw/zinc/52/02/14/457520214.db2.gz PGDVTBDMYAYIGZ-KRWDZBQOSA-N 2 2 344.846 3.048 10 0 EGAELP CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000374329493 457587772 /nfs/dbraw/zinc/58/77/72/457587772.db2.gz LPBIBRLDTJNYCC-UHFFFAOYSA-N 2 2 346.434 3.071 10 0 EGAELP CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000374329493 457587774 /nfs/dbraw/zinc/58/77/74/457587774.db2.gz LPBIBRLDTJNYCC-UHFFFAOYSA-N 2 2 346.434 3.071 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000361286818 457679908 /nfs/dbraw/zinc/67/99/08/457679908.db2.gz HOXLHYKFZDJBKD-INIZCTEOSA-N 2 2 325.460 3.390 10 0 EGAELP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]2CCOC2)cc1 ZINC000357856189 457713548 /nfs/dbraw/zinc/71/35/48/457713548.db2.gz TUDMJPCQMIHQCE-NQIIRXRSSA-N 2 2 337.467 3.418 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000361532176 457776797 /nfs/dbraw/zinc/77/67/97/457776797.db2.gz VYCORLVXSTVMIA-UHFFFAOYSA-N 2 2 349.837 3.247 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000358157239 457822315 /nfs/dbraw/zinc/82/23/15/457822315.db2.gz HDDMSJFGYBUEMF-UHFFFAOYSA-N 2 2 337.467 3.402 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000358157239 457822321 /nfs/dbraw/zinc/82/23/21/457822321.db2.gz HDDMSJFGYBUEMF-UHFFFAOYSA-N 2 2 337.467 3.402 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435000243 458076756 /nfs/dbraw/zinc/07/67/56/458076756.db2.gz QELLXNMBDZLDQN-AWEZNQCLSA-N 2 2 326.444 3.179 10 0 EGAELP Cc1ccc(Cc2noc(C3CCN(c4cc[nH+]cc4C)CC3)n2)c[nH+]1 ZINC000371929974 458127620 /nfs/dbraw/zinc/12/76/20/458127620.db2.gz FLQVHWUMTDDGDX-UHFFFAOYSA-N 2 2 349.438 3.451 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006981 458253134 /nfs/dbraw/zinc/25/31/34/458253134.db2.gz IXECENGOQQLAGW-HNAYVOBHSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000429006981 458253138 /nfs/dbraw/zinc/25/31/38/458253138.db2.gz IXECENGOQQLAGW-HNAYVOBHSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429006981 458253144 /nfs/dbraw/zinc/25/31/44/458253144.db2.gz IXECENGOQQLAGW-HNAYVOBHSA-N 2 2 326.444 3.134 10 0 EGAELP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000429006981 458253147 /nfs/dbraw/zinc/25/31/47/458253147.db2.gz IXECENGOQQLAGW-HNAYVOBHSA-N 2 2 326.444 3.134 10 0 EGAELP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000436317040 458288641 /nfs/dbraw/zinc/28/86/41/458288641.db2.gz UJLNEKCAEZTLFR-IBGZPJMESA-N 2 2 336.439 3.435 10 0 EGAELP COC1(C[C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000429524541 458340015 /nfs/dbraw/zinc/34/00/15/458340015.db2.gz XFULDKXWNLOBLP-IBGZPJMESA-N 2 2 345.531 3.136 10 0 EGAELP COCc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)no1 ZINC000459375045 458350237 /nfs/dbraw/zinc/35/02/37/458350237.db2.gz JLVRMWYNYAMSBR-UHFFFAOYSA-N 2 2 329.444 3.097 10 0 EGAELP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438725 458371109 /nfs/dbraw/zinc/37/11/09/458371109.db2.gz JMALLBLCZWGZBI-BHIFYINESA-N 2 2 335.495 3.296 10 0 EGAELP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438725 458371114 /nfs/dbraw/zinc/37/11/14/458371114.db2.gz JMALLBLCZWGZBI-BHIFYINESA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438725 458371119 /nfs/dbraw/zinc/37/11/19/458371119.db2.gz JMALLBLCZWGZBI-BHIFYINESA-N 2 2 335.495 3.296 10 0 EGAELP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000459438725 458371125 /nfs/dbraw/zinc/37/11/25/458371125.db2.gz JMALLBLCZWGZBI-BHIFYINESA-N 2 2 335.495 3.296 10 0 EGAELP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439303 458371544 /nfs/dbraw/zinc/37/15/44/458371544.db2.gz KMWCYKCSGDOTCF-MOPGFXCFSA-N 2 2 333.907 3.302 10 0 EGAELP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439303 458371549 /nfs/dbraw/zinc/37/15/49/458371549.db2.gz KMWCYKCSGDOTCF-MOPGFXCFSA-N 2 2 333.907 3.302 10 0 EGAELP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000423499758 458443613 /nfs/dbraw/zinc/44/36/13/458443613.db2.gz JQIZLOMQYDNJSI-SJKOYZFVSA-N 2 2 333.867 3.089 10 0 EGAELP CCC(CC)(C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083497 458549666 /nfs/dbraw/zinc/54/96/66/458549666.db2.gz DTVSCVNTONWHFU-DOTOQJQBSA-N 2 2 334.504 3.301 10 0 EGAELP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461083497 458549667 /nfs/dbraw/zinc/54/96/67/458549667.db2.gz DTVSCVNTONWHFU-DOTOQJQBSA-N 2 2 334.504 3.301 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424259693 458595749 /nfs/dbraw/zinc/59/57/49/458595749.db2.gz APFABIVWPDMMJU-ROUUACIJSA-N 2 2 345.512 3.127 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424259693 458595754 /nfs/dbraw/zinc/59/57/54/458595754.db2.gz APFABIVWPDMMJU-ROUUACIJSA-N 2 2 345.512 3.127 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378055252 458613221 /nfs/dbraw/zinc/61/32/21/458613221.db2.gz HSEZAJHXHKXBNL-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP Cc1nc2[nH]ccc2c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[nH+]1 ZINC000439095504 458652451 /nfs/dbraw/zinc/65/24/51/458652451.db2.gz FFODGICYZQZJQE-CYBMUJFWSA-N 2 2 336.443 3.299 10 0 EGAELP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)CCCO1 ZINC000432356252 458723117 /nfs/dbraw/zinc/72/31/17/458723117.db2.gz HXSISTGKUCBYME-KRWDZBQOSA-N 2 2 332.488 3.066 10 0 EGAELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)CCCO1 ZINC000432356252 458723123 /nfs/dbraw/zinc/72/31/23/458723123.db2.gz HXSISTGKUCBYME-KRWDZBQOSA-N 2 2 332.488 3.066 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)Cc2ccccc2C1 ZINC000474028824 458856012 /nfs/dbraw/zinc/85/60/12/458856012.db2.gz GJOPLSHNCQNUAN-PCCBWWKXSA-N 2 2 342.527 3.271 10 0 EGAELP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000531143011 458876568 /nfs/dbraw/zinc/87/65/68/458876568.db2.gz WOAAJIFPQQJUTG-LJQANCHMSA-N 2 2 349.563 3.221 10 0 EGAELP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000531143011 458876575 /nfs/dbraw/zinc/87/65/75/458876575.db2.gz WOAAJIFPQQJUTG-LJQANCHMSA-N 2 2 349.563 3.221 10 0 EGAELP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000532194971 459044575 /nfs/dbraw/zinc/04/45/75/459044575.db2.gz QWUQXPOEUYHRQM-AWEZNQCLSA-N 2 2 344.850 3.248 10 0 EGAELP C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000577607365 459060248 /nfs/dbraw/zinc/06/02/48/459060248.db2.gz MDQYVNHSVLNCEU-CYBMUJFWSA-N 2 2 344.484 3.137 10 0 EGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996526 459072660 /nfs/dbraw/zinc/07/26/60/459072660.db2.gz HLAXUIWLPMKZPQ-NHYWBVRUSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442996526 459072665 /nfs/dbraw/zinc/07/26/65/459072665.db2.gz HLAXUIWLPMKZPQ-NHYWBVRUSA-N 2 2 330.369 3.416 10 0 EGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557481961 459076055 /nfs/dbraw/zinc/07/60/55/459076055.db2.gz VYOSEBLACHDHLT-CQSZACIVSA-N 2 2 326.444 3.043 10 0 EGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557481961 459076059 /nfs/dbraw/zinc/07/60/59/459076059.db2.gz VYOSEBLACHDHLT-CQSZACIVSA-N 2 2 326.444 3.043 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205532 459080309 /nfs/dbraw/zinc/08/03/09/459080309.db2.gz LELXVUHRQVBRQE-BFQNTYOBSA-N 2 2 328.287 3.112 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478205532 459080314 /nfs/dbraw/zinc/08/03/14/459080314.db2.gz LELXVUHRQVBRQE-BFQNTYOBSA-N 2 2 328.287 3.112 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000521370495 459144914 /nfs/dbraw/zinc/14/49/14/459144914.db2.gz VTMKFJYCPIHCMS-UHFFFAOYSA-N 2 2 346.862 3.136 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000521370495 459144919 /nfs/dbraw/zinc/14/49/19/459144919.db2.gz VTMKFJYCPIHCMS-UHFFFAOYSA-N 2 2 346.862 3.136 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851533 459177424 /nfs/dbraw/zinc/17/74/24/459177424.db2.gz OBPFZGYUQNYEQD-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851533 459177428 /nfs/dbraw/zinc/17/74/28/459177428.db2.gz OBPFZGYUQNYEQD-IBGZPJMESA-N 2 2 337.467 3.377 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578442927 459201780 /nfs/dbraw/zinc/20/17/80/459201780.db2.gz NVYCTBGRERZZES-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578442927 459201784 /nfs/dbraw/zinc/20/17/84/459201784.db2.gz NVYCTBGRERZZES-MRXNPFEDSA-N 2 2 339.277 3.033 10 0 EGAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000595016295 459217383 /nfs/dbraw/zinc/21/73/83/459217383.db2.gz KCJBDVWKRGXCRF-OAHLLOKOSA-N 2 2 329.444 3.330 10 0 EGAELP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819491 459233844 /nfs/dbraw/zinc/23/38/44/459233844.db2.gz POWRSGSQRJUJBZ-RBUKOAKNSA-N 2 2 344.499 3.414 10 0 EGAELP c1ccc2c(c1)OC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)O2 ZINC000590819491 459233848 /nfs/dbraw/zinc/23/38/48/459233848.db2.gz POWRSGSQRJUJBZ-RBUKOAKNSA-N 2 2 344.499 3.414 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn3ccccc3n2)[C@H](C)C1 ZINC000559892017 459282850 /nfs/dbraw/zinc/28/28/50/459282850.db2.gz ATPORMWTLPMEHA-KURKYZTESA-N 2 2 344.503 3.122 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn3ccccc3n2)[C@H](C)C1 ZINC000559892017 459282855 /nfs/dbraw/zinc/28/28/55/459282855.db2.gz ATPORMWTLPMEHA-KURKYZTESA-N 2 2 344.503 3.122 10 0 EGAELP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1Cl ZINC000591081406 459308003 /nfs/dbraw/zinc/30/80/03/459308003.db2.gz BBLWNUDYOJXCBN-AWEZNQCLSA-N 2 2 332.835 3.202 10 0 EGAELP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1Cl ZINC000591081406 459308010 /nfs/dbraw/zinc/30/80/10/459308010.db2.gz BBLWNUDYOJXCBN-AWEZNQCLSA-N 2 2 332.835 3.202 10 0 EGAELP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582944956 459454847 /nfs/dbraw/zinc/45/48/47/459454847.db2.gz YOKJQEQPNMDRAO-AEFFLSMTSA-N 2 2 339.487 3.100 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592425551 459598279 /nfs/dbraw/zinc/59/82/79/459598279.db2.gz IPFGMVYHQRLGRW-PBHICJAKSA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592425551 459598285 /nfs/dbraw/zinc/59/82/85/459598285.db2.gz IPFGMVYHQRLGRW-PBHICJAKSA-N 2 2 336.863 3.091 10 0 EGAELP CCn1cc[nH+]c1CNc1ccc(C[NH+](C)C)c(Br)c1 ZINC000527213997 459610179 /nfs/dbraw/zinc/61/01/79/459610179.db2.gz NGHUFBLDEMBESU-UHFFFAOYSA-N 2 2 337.265 3.339 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000543755062 459696215 /nfs/dbraw/zinc/69/62/15/459696215.db2.gz VHULRFQXEVTRES-OKZBNKHCSA-N 2 2 342.512 3.237 10 0 EGAELP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000543755062 459696219 /nfs/dbraw/zinc/69/62/19/459696219.db2.gz VHULRFQXEVTRES-OKZBNKHCSA-N 2 2 342.512 3.237 10 0 EGAELP [NH3+]C1CCC(OCC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC1 ZINC000563062964 459708517 /nfs/dbraw/zinc/70/85/17/459708517.db2.gz KDMVRIFZQPKYHI-UHFFFAOYSA-N 2 2 342.443 3.055 10 0 EGAELP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000584323994 459708695 /nfs/dbraw/zinc/70/86/95/459708695.db2.gz RSALKEBIVCKDJE-GFCCVEGCSA-N 2 2 332.354 3.264 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(C(F)(F)F)c1 ZINC000527708645 459709458 /nfs/dbraw/zinc/70/94/58/459709458.db2.gz DAQPQTBLUNMUKK-LBPRGKRZSA-N 2 2 325.334 3.084 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000527708645 459709462 /nfs/dbraw/zinc/70/94/62/459709462.db2.gz DAQPQTBLUNMUKK-LBPRGKRZSA-N 2 2 325.334 3.084 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563149148 459724972 /nfs/dbraw/zinc/72/49/72/459724972.db2.gz GVMMLNWZUVNEQU-RTBURBONSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563149148 459724976 /nfs/dbraw/zinc/72/49/76/459724976.db2.gz GVMMLNWZUVNEQU-RTBURBONSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563149148 459724982 /nfs/dbraw/zinc/72/49/82/459724982.db2.gz GVMMLNWZUVNEQU-RTBURBONSA-N 2 2 342.483 3.211 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563149148 459724991 /nfs/dbraw/zinc/72/49/91/459724991.db2.gz GVMMLNWZUVNEQU-RTBURBONSA-N 2 2 342.483 3.211 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008585 459794730 /nfs/dbraw/zinc/79/47/30/459794730.db2.gz FRIVNNYVRFMIHO-RDTXWAMCSA-N 2 2 327.472 3.239 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008585 459794733 /nfs/dbraw/zinc/79/47/33/459794733.db2.gz FRIVNNYVRFMIHO-RDTXWAMCSA-N 2 2 327.472 3.239 10 0 EGAELP CC(C)OC[C@@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000566118179 459808089 /nfs/dbraw/zinc/80/80/89/459808089.db2.gz XPJJHKJZDCDYEF-MJGOQNOKSA-N 2 2 334.504 3.026 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1cccc3[nH+]ccn31)CCC2 ZINC000597202269 459875453 /nfs/dbraw/zinc/87/54/53/459875453.db2.gz WJDKVUDJBDCQDV-QGZVFWFLSA-N 2 2 349.434 3.331 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588688658 459967086 /nfs/dbraw/zinc/96/70/86/459967086.db2.gz UCXJBGFPVAZBJV-XLIONFOSSA-N 2 2 342.483 3.229 10 0 EGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588688658 459967095 /nfs/dbraw/zinc/96/70/95/459967095.db2.gz UCXJBGFPVAZBJV-XLIONFOSSA-N 2 2 342.483 3.229 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@@H+]1C ZINC000621717396 460021807 /nfs/dbraw/zinc/02/18/07/460021807.db2.gz CFBLBRDBBOPOCF-MJGOQNOKSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnn2CCc2ccccc2)CC[N@H+]1C ZINC000621717396 460021815 /nfs/dbraw/zinc/02/18/15/460021815.db2.gz CFBLBRDBBOPOCF-MJGOQNOKSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717396 460021824 /nfs/dbraw/zinc/02/18/24/460021824.db2.gz CFBLBRDBBOPOCF-MJGOQNOKSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnn2CCc2ccccc2)CC[NH+]1C ZINC000621717396 460021831 /nfs/dbraw/zinc/02/18/31/460021831.db2.gz CFBLBRDBBOPOCF-MJGOQNOKSA-N 2 2 326.488 3.040 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000621719435 460025369 /nfs/dbraw/zinc/02/53/69/460025369.db2.gz NHLLZHWKPBAJQF-GHTZIAJQSA-N 2 2 349.482 3.405 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000621719435 460025373 /nfs/dbraw/zinc/02/53/73/460025373.db2.gz NHLLZHWKPBAJQF-GHTZIAJQSA-N 2 2 349.482 3.405 10 0 EGAELP Cc1cccn2c(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)c[nH+]c12 ZINC000619014321 460249455 /nfs/dbraw/zinc/24/94/55/460249455.db2.gz JTPPYZKZBMYSLS-UHFFFAOYSA-N 2 2 349.438 3.201 10 0 EGAELP CC(C)c1ccccc1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209336 460391933 /nfs/dbraw/zinc/39/19/33/460391933.db2.gz SNWDPVVEQSAIKC-INIZCTEOSA-N 2 2 344.503 3.100 10 0 EGAELP CC(C)c1ccccc1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209336 460391937 /nfs/dbraw/zinc/39/19/37/460391937.db2.gz SNWDPVVEQSAIKC-INIZCTEOSA-N 2 2 344.503 3.100 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OCC(F)(F)F ZINC000623361192 460508689 /nfs/dbraw/zinc/50/86/89/460508689.db2.gz QRIOIBOWISRFNQ-UONOGXRCSA-N 2 2 346.368 3.483 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OCC(F)(F)F ZINC000623361192 460508694 /nfs/dbraw/zinc/50/86/94/460508694.db2.gz QRIOIBOWISRFNQ-UONOGXRCSA-N 2 2 346.368 3.483 10 0 EGAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000634811357 460532846 /nfs/dbraw/zinc/53/28/46/460532846.db2.gz CKOPAOHMMMEWAA-HNNXBMFYSA-N 2 2 325.460 3.051 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1OC ZINC000629390428 460746399 /nfs/dbraw/zinc/74/63/99/460746399.db2.gz FLWQLRKQMNSTQZ-LSDHHAIUSA-N 2 2 326.868 3.368 10 0 EGAELP c1[nH+]cn2c1c(N1CCC(C[NH+]3CCCC3)CC1)nc1ccccc12 ZINC000623866706 460751340 /nfs/dbraw/zinc/75/13/40/460751340.db2.gz CPGIIDBIABRQSY-UHFFFAOYSA-N 2 2 335.455 3.195 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1(C)C ZINC000623950465 460792441 /nfs/dbraw/zinc/79/24/41/460792441.db2.gz CCLMLSUVBZKMGX-INIZCTEOSA-N 2 2 328.460 3.247 10 0 EGAELP C[N@H+]1CC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)CC1(C)C ZINC000623950465 460792448 /nfs/dbraw/zinc/79/24/48/460792448.db2.gz CCLMLSUVBZKMGX-INIZCTEOSA-N 2 2 328.460 3.247 10 0 EGAELP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000623954561 460795098 /nfs/dbraw/zinc/79/50/98/460795098.db2.gz SBQGSWWIKWLOCB-QGZVFWFLSA-N 2 2 340.471 3.234 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000629526489 460796315 /nfs/dbraw/zinc/79/63/15/460796315.db2.gz WHVKLHGLKPWAOO-DDTOSNHZSA-N 2 2 327.266 3.249 10 0 EGAELP C[NH+]1CCC([C@@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)CC1 ZINC000624063218 460841336 /nfs/dbraw/zinc/84/13/36/460841336.db2.gz KBQIZMIQSDGFKC-MRXNPFEDSA-N 2 2 335.455 3.051 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000629664423 460855405 /nfs/dbraw/zinc/85/54/05/460855405.db2.gz IMBHVPFOAQLGBH-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000629664423 460855410 /nfs/dbraw/zinc/85/54/10/460855410.db2.gz IMBHVPFOAQLGBH-OYRHEFFESA-N 2 2 337.467 3.092 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)CC[N@@H+]1C ZINC000632914679 460883641 /nfs/dbraw/zinc/88/36/41/460883641.db2.gz ULJXRVYOYKKCRU-FUHWJXTLSA-N 2 2 340.471 3.026 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)CC[N@H+]1C ZINC000632914679 460883645 /nfs/dbraw/zinc/88/36/45/460883645.db2.gz ULJXRVYOYKKCRU-FUHWJXTLSA-N 2 2 340.471 3.026 10 0 EGAELP C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866100 460930369 /nfs/dbraw/zinc/93/03/69/460930369.db2.gz KHGRFTCZLUXEFP-HNNXBMFYSA-N 2 2 326.400 3.090 10 0 EGAELP C[N@H+]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866100 460930377 /nfs/dbraw/zinc/93/03/77/460930377.db2.gz KHGRFTCZLUXEFP-HNNXBMFYSA-N 2 2 326.400 3.090 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000608070756 460976129 /nfs/dbraw/zinc/97/61/29/460976129.db2.gz HPHPPLZECIEHMC-SFHVURJKSA-N 2 2 349.434 3.265 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccsc1 ZINC000624557810 461052834 /nfs/dbraw/zinc/05/28/34/461052834.db2.gz ZLOIPKAYFSKDTA-RBUKOAKNSA-N 2 2 330.497 3.378 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccsc1 ZINC000624557810 461052836 /nfs/dbraw/zinc/05/28/36/461052836.db2.gz ZLOIPKAYFSKDTA-RBUKOAKNSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000624557810 461052841 /nfs/dbraw/zinc/05/28/41/461052841.db2.gz ZLOIPKAYFSKDTA-RBUKOAKNSA-N 2 2 330.497 3.378 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000624557810 461052845 /nfs/dbraw/zinc/05/28/45/461052845.db2.gz ZLOIPKAYFSKDTA-RBUKOAKNSA-N 2 2 330.497 3.378 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628280184 461071560 /nfs/dbraw/zinc/07/15/60/461071560.db2.gz UYSWNJGUZNSURX-UHFFFAOYSA-N 2 2 345.340 3.485 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1OCC(F)(F)F ZINC000628280184 461071563 /nfs/dbraw/zinc/07/15/63/461071563.db2.gz UYSWNJGUZNSURX-UHFFFAOYSA-N 2 2 345.340 3.485 10 0 EGAELP c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1noc(C3CC3)n1)C[NH2+]CC2 ZINC000652337500 461138335 /nfs/dbraw/zinc/13/83/35/461138335.db2.gz PTRWSLHENFZWRT-SFHVURJKSA-N 2 2 338.455 3.320 10 0 EGAELP c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1noc(C3CC3)n1)C[NH2+]CC2 ZINC000652337500 461138342 /nfs/dbraw/zinc/13/83/42/461138342.db2.gz PTRWSLHENFZWRT-SFHVURJKSA-N 2 2 338.455 3.320 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662368454 461215872 /nfs/dbraw/zinc/21/58/72/461215872.db2.gz TXEWTNWZARUGPJ-LJQANCHMSA-N 2 2 348.450 3.086 10 0 EGAELP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc21 ZINC000662427354 461238885 /nfs/dbraw/zinc/23/88/85/461238885.db2.gz MSSNXOMYSUZOOA-SJLPKXTDSA-N 2 2 338.455 3.156 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000665951352 461366522 /nfs/dbraw/zinc/36/65/22/461366522.db2.gz JDOLQHRPVPKAFN-SFHVURJKSA-N 2 2 349.438 3.039 10 0 EGAELP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)ccc2[nH+]1 ZINC000665951352 461366530 /nfs/dbraw/zinc/36/65/30/461366530.db2.gz JDOLQHRPVPKAFN-SFHVURJKSA-N 2 2 349.438 3.039 10 0 EGAELP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn2c1CCCC2 ZINC000655704634 461375773 /nfs/dbraw/zinc/37/57/73/461375773.db2.gz HEFPGLWDTFILRO-UHFFFAOYSA-N 2 2 338.499 3.495 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@@H]1c1cccs1 ZINC000655743429 461409153 /nfs/dbraw/zinc/40/91/53/461409153.db2.gz IFKMTWRTMGUGJS-HNAYVOBHSA-N 2 2 344.528 3.454 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@@H]1c1cccs1 ZINC000655743429 461409160 /nfs/dbraw/zinc/40/91/60/461409160.db2.gz IFKMTWRTMGUGJS-HNAYVOBHSA-N 2 2 344.528 3.454 10 0 EGAELP CCC[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642100540 461445329 /nfs/dbraw/zinc/44/53/29/461445329.db2.gz WQZAIWKYUYFYGG-LBPRGKRZSA-N 2 2 327.407 3.394 10 0 EGAELP CCC[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642100540 461445331 /nfs/dbraw/zinc/44/53/31/461445331.db2.gz WQZAIWKYUYFYGG-LBPRGKRZSA-N 2 2 327.407 3.394 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655803665 461463872 /nfs/dbraw/zinc/46/38/72/461463872.db2.gz VQRYQRMLSRNVAT-WNRNVDISSA-N 2 2 342.487 3.021 10 0 EGAELP COc1cncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000631030570 461483145 /nfs/dbraw/zinc/48/31/45/461483145.db2.gz VZTORJLAFUUZAN-UHFFFAOYSA-N 2 2 325.456 3.153 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839605 461490276 /nfs/dbraw/zinc/49/02/76/461490276.db2.gz VGNKGXQCTSDXEF-NXWXRZEISA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839605 461490282 /nfs/dbraw/zinc/49/02/82/461490282.db2.gz VGNKGXQCTSDXEF-NXWXRZEISA-N 2 2 331.504 3.228 10 0 EGAELP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653105286 461503540 /nfs/dbraw/zinc/50/35/40/461503540.db2.gz PFGCRDSQKFICLI-JKSUJKDBSA-N 2 2 338.455 3.232 10 0 EGAELP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631057253 461510310 /nfs/dbraw/zinc/51/03/10/461510310.db2.gz SQKDJUKNMYTFDK-LLVKDONJSA-N 2 2 346.700 3.319 10 0 EGAELP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631057253 461510317 /nfs/dbraw/zinc/51/03/17/461510317.db2.gz SQKDJUKNMYTFDK-LLVKDONJSA-N 2 2 346.700 3.319 10 0 EGAELP CC(C)n1ncnc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000631064706 461516790 /nfs/dbraw/zinc/51/67/90/461516790.db2.gz MUTOUHKOQQZLFL-UHFFFAOYSA-N 2 2 341.503 3.381 10 0 EGAELP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653156228 461527350 /nfs/dbraw/zinc/52/73/50/461527350.db2.gz VLPRIVLHZVHXCE-PKOBYXMFSA-N 2 2 348.450 3.071 10 0 EGAELP Clc1cc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc(Cl)c1Cl ZINC000655949099 461548149 /nfs/dbraw/zinc/54/81/49/461548149.db2.gz MJOLQYVWNUCQSI-NSHDSACASA-N 2 2 348.705 3.378 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000663303315 461548454 /nfs/dbraw/zinc/54/84/54/461548454.db2.gz FSFLBEJBCIVCLS-JSGCOSHPSA-N 2 2 326.843 3.383 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(N3CC[C@@H](C[NH+]4CCCC4)C3)n2)C1 ZINC000656127875 461610000 /nfs/dbraw/zinc/61/00/00/461610000.db2.gz GCUMPAAYFTURPY-KRWDZBQOSA-N 2 2 343.519 3.025 10 0 EGAELP CC1(C)CCCN(c2cc[nH+]c(NCCCCn3cc[nH+]c3)n2)C1 ZINC000656152507 461626477 /nfs/dbraw/zinc/62/64/77/461626477.db2.gz LNXUUXFBKPSSBO-UHFFFAOYSA-N 2 2 328.464 3.192 10 0 EGAELP c1ccc(C[NH+]2CCC([NH2+]CC3([C@H]4CCCCO4)CCC3)CC2)nc1 ZINC000631245467 461671555 /nfs/dbraw/zinc/67/15/55/461671555.db2.gz MJYDZOZHLUGQMD-HXUWFJFHSA-N 2 2 343.515 3.375 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC23CC(C2)C[NH2+]3)o1 ZINC000663498607 461673397 /nfs/dbraw/zinc/67/33/97/461673397.db2.gz QYKPFFBRPZVAHT-UHFFFAOYSA-N 2 2 348.450 3.282 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656252481 461674515 /nfs/dbraw/zinc/67/45/15/461674515.db2.gz BFVVOFDEYNVFLM-OXQOHEQNSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656252481 461674518 /nfs/dbraw/zinc/67/45/18/461674518.db2.gz BFVVOFDEYNVFLM-OXQOHEQNSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656252481 461674519 /nfs/dbraw/zinc/67/45/19/461674519.db2.gz BFVVOFDEYNVFLM-OXQOHEQNSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656252481 461674521 /nfs/dbraw/zinc/67/45/21/461674521.db2.gz BFVVOFDEYNVFLM-OXQOHEQNSA-N 2 2 326.488 3.404 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402271 461733666 /nfs/dbraw/zinc/73/36/66/461733666.db2.gz MMLPSBCTMYIUBW-RDGPPVDQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402271 461733671 /nfs/dbraw/zinc/73/36/71/461733671.db2.gz MMLPSBCTMYIUBW-RDGPPVDQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402271 461733678 /nfs/dbraw/zinc/73/36/78/461733678.db2.gz MMLPSBCTMYIUBW-RDGPPVDQSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)n1 ZINC000656402271 461733685 /nfs/dbraw/zinc/73/36/85/461733685.db2.gz MMLPSBCTMYIUBW-RDGPPVDQSA-N 2 2 339.508 3.486 10 0 EGAELP C[C@@]1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1(F)F ZINC000656473598 461757669 /nfs/dbraw/zinc/75/76/69/461757669.db2.gz PSNFLHZFZBXZSA-OAHLLOKOSA-N 2 2 330.342 3.058 10 0 EGAELP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554306 461764399 /nfs/dbraw/zinc/76/43/99/461764399.db2.gz WHPIGUQGSMUDFR-CQSZACIVSA-N 2 2 339.277 3.222 10 0 EGAELP Cn1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000669714399 461775824 /nfs/dbraw/zinc/77/58/24/461775824.db2.gz GFQWKPIMXCXJIL-MRXNPFEDSA-N 2 2 349.482 3.486 10 0 EGAELP Cn1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000669714399 461775830 /nfs/dbraw/zinc/77/58/30/461775830.db2.gz GFQWKPIMXCXJIL-MRXNPFEDSA-N 2 2 349.482 3.486 10 0 EGAELP COc1ccc(C(C)C)cc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727266 461828076 /nfs/dbraw/zinc/82/80/76/461828076.db2.gz ZKIRPZSNUDTLJW-UHFFFAOYSA-N 2 2 334.504 3.144 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000669901588 461831791 /nfs/dbraw/zinc/83/17/91/461831791.db2.gz DUUCCESYJGVVGC-INIZCTEOSA-N 2 2 339.439 3.478 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000669901588 461831799 /nfs/dbraw/zinc/83/17/99/461831799.db2.gz DUUCCESYJGVVGC-INIZCTEOSA-N 2 2 339.439 3.478 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647901769 461875874 /nfs/dbraw/zinc/87/58/74/461875874.db2.gz VGLNWUZZSHPLHR-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647901769 461875880 /nfs/dbraw/zinc/87/58/80/461875880.db2.gz VGLNWUZZSHPLHR-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901869 461876007 /nfs/dbraw/zinc/87/60/07/461876007.db2.gz WTOSOQHKERVIQA-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901869 461876015 /nfs/dbraw/zinc/87/60/15/461876015.db2.gz WTOSOQHKERVIQA-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903680 461877734 /nfs/dbraw/zinc/87/77/34/461877734.db2.gz OFGCOXTZFMXYPZ-YJBOKZPZSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903680 461877742 /nfs/dbraw/zinc/87/77/42/461877742.db2.gz OFGCOXTZFMXYPZ-YJBOKZPZSA-N 2 2 342.512 3.273 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903544 461878943 /nfs/dbraw/zinc/87/89/43/461878943.db2.gz LOENCLJLPULJCR-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903544 461878948 /nfs/dbraw/zinc/87/89/48/461878948.db2.gz LOENCLJLPULJCR-LNLFQRSKSA-N 2 2 329.488 3.094 10 0 EGAELP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1OC ZINC000656789204 461899168 /nfs/dbraw/zinc/89/91/68/461899168.db2.gz RCNJMAKGZGBPSG-RTBURBONSA-N 2 2 340.467 3.329 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(O)c2)cc1 ZINC000656790464 461901126 /nfs/dbraw/zinc/90/11/26/461901126.db2.gz UIVUTXNZKCCCQU-PMACEKPBSA-N 2 2 326.440 3.026 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000660656963 461907093 /nfs/dbraw/zinc/90/70/93/461907093.db2.gz YZDOPEGDBUARSP-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000660656963 461907100 /nfs/dbraw/zinc/90/71/00/461907100.db2.gz YZDOPEGDBUARSP-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000660656963 461907103 /nfs/dbraw/zinc/90/71/03/461907103.db2.gz YZDOPEGDBUARSP-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000660656963 461907108 /nfs/dbraw/zinc/90/71/08/461907108.db2.gz YZDOPEGDBUARSP-FQEVSTJZSA-N 2 2 341.455 3.268 10 0 EGAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000647957588 461907664 /nfs/dbraw/zinc/90/76/64/461907664.db2.gz IGFZRPDSZOKZHX-JOCHJYFZSA-N 2 2 349.478 3.368 10 0 EGAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000647957588 461907672 /nfs/dbraw/zinc/90/76/72/461907672.db2.gz IGFZRPDSZOKZHX-JOCHJYFZSA-N 2 2 349.478 3.368 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647997434 461930393 /nfs/dbraw/zinc/93/03/93/461930393.db2.gz CZYOFOMZONZOEN-MRXNPFEDSA-N 2 2 326.843 3.242 10 0 EGAELP Fc1cccc(Cl)c1[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647997434 461930398 /nfs/dbraw/zinc/93/03/98/461930398.db2.gz CZYOFOMZONZOEN-MRXNPFEDSA-N 2 2 326.843 3.242 10 0 EGAELP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657310650 462035417 /nfs/dbraw/zinc/03/54/17/462035417.db2.gz PMELJSAQXMKIQM-UHFFFAOYSA-N 2 2 338.499 3.351 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@@H]1c1cccs1 ZINC000657374148 462079734 /nfs/dbraw/zinc/07/97/34/462079734.db2.gz FQTLFISHYZVODI-KBXCAEBGSA-N 2 2 345.516 3.237 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@@H]1c1cccs1 ZINC000657374148 462079738 /nfs/dbraw/zinc/07/97/38/462079738.db2.gz FQTLFISHYZVODI-KBXCAEBGSA-N 2 2 345.516 3.237 10 0 EGAELP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1ccccc1 ZINC000667520084 462122724 /nfs/dbraw/zinc/12/27/24/462122724.db2.gz PVIAJRJFGJJZAW-QGZVFWFLSA-N 2 2 336.439 3.477 10 0 EGAELP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1ccccc1 ZINC000667520084 462122729 /nfs/dbraw/zinc/12/27/29/462122729.db2.gz PVIAJRJFGJJZAW-QGZVFWFLSA-N 2 2 336.439 3.477 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667687297 462215016 /nfs/dbraw/zinc/21/50/16/462215016.db2.gz IGDBNPXGOPKTHW-KRWDZBQOSA-N 2 2 335.455 3.152 10 0 EGAELP CC1(C)C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000648736402 462252588 /nfs/dbraw/zinc/25/25/88/462252588.db2.gz KFXSZTPCIJKKPB-GOSISDBHSA-N 2 2 334.479 3.395 10 0 EGAELP CC1(C)C[C@@H]([NH2+]CC2(CF)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000648736402 462252594 /nfs/dbraw/zinc/25/25/94/462252594.db2.gz KFXSZTPCIJKKPB-GOSISDBHSA-N 2 2 334.479 3.395 10 0 EGAELP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000657817511 462281481 /nfs/dbraw/zinc/28/14/81/462281481.db2.gz LYVPNPSPZWIVDS-XJKSGUPXSA-N 2 2 330.394 3.115 10 0 EGAELP FCC1(CF)CC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000657843234 462293404 /nfs/dbraw/zinc/29/34/04/462293404.db2.gz DEQMZRXXGWYTKS-UHFFFAOYSA-N 2 2 326.406 3.468 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651686345 462303301 /nfs/dbraw/zinc/30/33/01/462303301.db2.gz YMQLKSOCYXGHPI-KRWDZBQOSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)C[NH+]1CCOCC1 ZINC000651720276 462314908 /nfs/dbraw/zinc/31/49/08/462314908.db2.gz VRVYCJJSPALRNV-QZTJIDSGSA-N 2 2 339.483 3.368 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000658012640 462346317 /nfs/dbraw/zinc/34/63/17/462346317.db2.gz HLNSPOQSPBCYIH-DZFGPLHGSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000658012640 462346322 /nfs/dbraw/zinc/34/63/22/462346322.db2.gz HLNSPOQSPBCYIH-DZFGPLHGSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055438 462359307 /nfs/dbraw/zinc/35/93/07/462359307.db2.gz IWHOMYIVNNOSFY-RDTXWAMCSA-N 2 2 344.503 3.494 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658055438 462359312 /nfs/dbraw/zinc/35/93/12/462359312.db2.gz IWHOMYIVNNOSFY-RDTXWAMCSA-N 2 2 344.503 3.494 10 0 EGAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244141 462366349 /nfs/dbraw/zinc/36/63/49/462366349.db2.gz HBECHVOECAEIEM-KDOFPFPSSA-N 2 2 328.431 3.415 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000665255878 462372091 /nfs/dbraw/zinc/37/20/91/462372091.db2.gz GUQBSTPQWWTRHS-GKCIPKSASA-N 2 2 326.440 3.197 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665269730 462378007 /nfs/dbraw/zinc/37/80/07/462378007.db2.gz LWNMIYOTPVZCAX-NQERJWCQSA-N 2 2 336.483 3.151 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665269730 462378014 /nfs/dbraw/zinc/37/80/14/462378014.db2.gz LWNMIYOTPVZCAX-NQERJWCQSA-N 2 2 336.483 3.151 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652148417 462450490 /nfs/dbraw/zinc/45/04/90/462450490.db2.gz YKGYSYLLKVDRSK-PMACEKPBSA-N 2 2 331.504 3.403 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652148417 462450493 /nfs/dbraw/zinc/45/04/93/462450493.db2.gz YKGYSYLLKVDRSK-PMACEKPBSA-N 2 2 331.504 3.403 10 0 EGAELP COC1CC[NH+](CC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652159261 462456117 /nfs/dbraw/zinc/45/61/17/462456117.db2.gz UQWODRNVJIVCOM-FQEVSTJZSA-N 2 2 331.504 3.403 10 0 EGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649294219 462469805 /nfs/dbraw/zinc/46/98/05/462469805.db2.gz DZHXLUGHPNTCJV-AWEZNQCLSA-N 2 2 337.895 3.063 10 0 EGAELP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317511 462475147 /nfs/dbraw/zinc/47/51/47/462475147.db2.gz LVOQYSOQVABIII-RTBURBONSA-N 2 2 336.483 3.220 10 0 EGAELP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CC2 ZINC000658317511 462475153 /nfs/dbraw/zinc/47/51/53/462475153.db2.gz LVOQYSOQVABIII-RTBURBONSA-N 2 2 336.483 3.220 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344999 462484701 /nfs/dbraw/zinc/48/47/01/462484701.db2.gz XVIPUSGWZQZMLZ-VQIMIIECSA-N 2 2 329.513 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccsc1 ZINC000658344999 462484705 /nfs/dbraw/zinc/48/47/05/462484705.db2.gz XVIPUSGWZQZMLZ-VQIMIIECSA-N 2 2 329.513 3.215 10 0 EGAELP O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000649372682 462491095 /nfs/dbraw/zinc/49/10/95/462491095.db2.gz GAMKTUKVIFBJGX-SFHVURJKSA-N 2 2 337.423 3.278 10 0 EGAELP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894173 528210916 /nfs/dbraw/zinc/21/09/16/528210916.db2.gz FCVFGMHZCRUSGS-HOTGVXAUSA-N 2 2 328.460 3.218 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000671252779 548269226 /nfs/dbraw/zinc/26/92/26/548269226.db2.gz CUMXCQRUMCFTGT-KRWDZBQOSA-N 2 2 344.421 3.144 10 0 EGAELP CC1(C)C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000672615278 548453532 /nfs/dbraw/zinc/45/35/32/548453532.db2.gz GXMIXAQQPMEOKA-SFTDATJTSA-N 2 2 338.495 3.233 10 0 EGAELP CC1(C)C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000672615278 548453535 /nfs/dbraw/zinc/45/35/35/548453535.db2.gz GXMIXAQQPMEOKA-SFTDATJTSA-N 2 2 338.495 3.233 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675768463 548977293 /nfs/dbraw/zinc/97/72/93/548977293.db2.gz YEQCDYMTNNHOAI-MAUKXSAKSA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768463 548977297 /nfs/dbraw/zinc/97/72/97/548977297.db2.gz YEQCDYMTNNHOAI-MAUKXSAKSA-N 2 2 332.492 3.305 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000675919430 549004830 /nfs/dbraw/zinc/00/48/30/549004830.db2.gz IIXIDRFLDIOEMY-FQEVSTJZSA-N 3 2 338.499 3.168 10 0 EGAELP Cn1ccnc1C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000675919430 549004833 /nfs/dbraw/zinc/00/48/33/549004833.db2.gz IIXIDRFLDIOEMY-FQEVSTJZSA-N 2 2 338.499 3.168 10 0 EGAELP Cc1noc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000676722039 549137338 /nfs/dbraw/zinc/13/73/38/549137338.db2.gz WHDFYTNSOFBWLY-WMLDXEAASA-N 2 2 325.416 3.283 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000677502427 549281076 /nfs/dbraw/zinc/28/10/76/549281076.db2.gz JVNMUMCAFOZHJA-KRWDZBQOSA-N 2 2 348.454 3.428 10 0 EGAELP Cn1cc[nH+]c1C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000677502427 549281081 /nfs/dbraw/zinc/28/10/81/549281081.db2.gz JVNMUMCAFOZHJA-KRWDZBQOSA-N 2 2 348.454 3.428 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000678156151 549412929 /nfs/dbraw/zinc/41/29/29/549412929.db2.gz RJJDIRACNYUUNL-LLVKDONJSA-N 2 2 349.219 3.234 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000678156151 549412931 /nfs/dbraw/zinc/41/29/31/549412931.db2.gz RJJDIRACNYUUNL-LLVKDONJSA-N 2 2 349.219 3.234 10 0 EGAELP Cc1nc([C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cs1 ZINC000678586885 549525228 /nfs/dbraw/zinc/52/52/28/549525228.db2.gz LQQWGBIJYCTOJJ-ZFWWWQNUSA-N 2 2 344.484 3.130 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000678774770 549559303 /nfs/dbraw/zinc/55/93/03/549559303.db2.gz QCEMULBTIDBJSV-LJQANCHMSA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000678774770 549559306 /nfs/dbraw/zinc/55/93/06/549559306.db2.gz QCEMULBTIDBJSV-LJQANCHMSA-N 2 2 344.886 3.412 10 0 EGAELP C[C@H](Cc1cccs1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044814 549624746 /nfs/dbraw/zinc/62/47/46/549624746.db2.gz QYJNSHYINPXYTL-XLIONFOSSA-N 2 2 344.524 3.296 10 0 EGAELP C[C@H](Cc1cccs1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044814 549624748 /nfs/dbraw/zinc/62/47/48/549624748.db2.gz QYJNSHYINPXYTL-XLIONFOSSA-N 2 2 344.524 3.296 10 0 EGAELP Cc1ccc(C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)c[nH+]1 ZINC000679952864 549796536 /nfs/dbraw/zinc/79/65/36/549796536.db2.gz KZPJMSONGAHMNT-UHFFFAOYSA-N 2 2 335.411 3.215 10 0 EGAELP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000684953990 550387767 /nfs/dbraw/zinc/38/77/67/550387767.db2.gz RHABJZVNPJZBRW-FQEVSTJZSA-N 2 2 337.467 3.081 10 0 EGAELP Cc1cc(N2CC[NH+](CCC(=O)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000741156196 576661912 /nfs/dbraw/zinc/66/19/12/576661912.db2.gz ZSVHICXCGVYEFQ-UHFFFAOYSA-N 2 2 332.492 3.036 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccccc1 ZINC000742386744 576777661 /nfs/dbraw/zinc/77/76/61/576777661.db2.gz AKVMUGPHZJPYNQ-GOSISDBHSA-N 2 2 331.423 3.141 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000744403915 576827429 /nfs/dbraw/zinc/82/74/29/576827429.db2.gz AJANAEPIDLTJSW-RCCFBDPRSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000744403915 576827430 /nfs/dbraw/zinc/82/74/30/576827430.db2.gz AJANAEPIDLTJSW-RCCFBDPRSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000744403915 576827431 /nfs/dbraw/zinc/82/74/31/576827431.db2.gz AJANAEPIDLTJSW-RCCFBDPRSA-N 2 2 325.541 3.266 10 0 EGAELP CCCCCC[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000744403915 576827432 /nfs/dbraw/zinc/82/74/32/576827432.db2.gz AJANAEPIDLTJSW-RCCFBDPRSA-N 2 2 325.541 3.266 10 0 EGAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000045653510 1291513680 /nfs/dbraw/zinc/51/36/80/1291513680.db2.gz UQDWAQPOCYBYAP-BBRMVZONSA-N 2 2 325.294 3.452 10 0 EGAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000045653510 1291513684 /nfs/dbraw/zinc/51/36/84/1291513684.db2.gz UQDWAQPOCYBYAP-BBRMVZONSA-N 2 2 325.294 3.452 10 0 EGAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000235473209 1296185166 /nfs/dbraw/zinc/18/51/66/1296185166.db2.gz YTYHMIQSQTXMAX-UONOGXRCSA-N 2 2 325.294 3.454 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc12 ZINC000237204427 1296227704 /nfs/dbraw/zinc/22/77/04/1296227704.db2.gz GHMYXUGHXWJLBS-SFHVURJKSA-N 2 2 342.483 3.295 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc12 ZINC000237204427 1296227714 /nfs/dbraw/zinc/22/77/14/1296227714.db2.gz GHMYXUGHXWJLBS-SFHVURJKSA-N 2 2 342.483 3.295 10 0 EGAELP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000872089163 1296727736 /nfs/dbraw/zinc/72/77/36/1296727736.db2.gz UDZIGHUMPVSJAE-RTWAWAEBSA-N 2 2 328.500 3.167 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131038 1296755544 /nfs/dbraw/zinc/75/55/44/1296755544.db2.gz VKMFCPYZHJAVDX-IUODEOHRSA-N 2 2 343.393 3.004 10 0 EGAELP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000388218554 1297599538 /nfs/dbraw/zinc/59/95/38/1297599538.db2.gz XWTGAAHJXZCZDR-VXGBXAGGSA-N 2 2 327.266 3.017 10 0 EGAELP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000388218554 1297599544 /nfs/dbraw/zinc/59/95/44/1297599544.db2.gz XWTGAAHJXZCZDR-VXGBXAGGSA-N 2 2 327.266 3.017 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3Cl)C[C@H]12 ZINC000706449182 1298221138 /nfs/dbraw/zinc/22/11/38/1298221138.db2.gz CBGNUWRCLNOOJG-SUZMYJTESA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3Cl)C[C@H]12 ZINC000706449182 1298221149 /nfs/dbraw/zinc/22/11/49/1298221149.db2.gz CBGNUWRCLNOOJG-SUZMYJTESA-N 2 2 329.669 3.272 10 0 EGAELP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccccn1 ZINC000894145921 1306245960 /nfs/dbraw/zinc/24/59/60/1306245960.db2.gz KOWQIFBZCNXSPQ-LBPRGKRZSA-N 2 2 349.381 3.316 10 0 EGAELP COc1cccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895110227 1309195531 /nfs/dbraw/zinc/19/55/31/1309195531.db2.gz DWTGWFXKXILZLJ-JFIYKMOQSA-N 2 2 340.471 3.193 10 0 EGAELP Oc1cccc2sc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc21 ZINC000895193060 1309232027 /nfs/dbraw/zinc/23/20/27/1309232027.db2.gz PUZLQCVMGQXYOS-HNNXBMFYSA-N 2 2 346.496 3.294 10 0 EGAELP Oc1cccc2sc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc21 ZINC000895193060 1309232033 /nfs/dbraw/zinc/23/20/33/1309232033.db2.gz PUZLQCVMGQXYOS-HNNXBMFYSA-N 2 2 346.496 3.294 10 0 EGAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858533420 1328789647 /nfs/dbraw/zinc/78/96/47/1328789647.db2.gz SGITXHGVHYAUGX-VYDXJSESSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858533420 1328789651 /nfs/dbraw/zinc/78/96/51/1328789651.db2.gz SGITXHGVHYAUGX-VYDXJSESSA-N 2 2 339.524 3.285 10 0 EGAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913758059 1319117455 /nfs/dbraw/zinc/11/74/55/1319117455.db2.gz ZRXPSCKRQCXOIB-LJQANCHMSA-N 2 2 348.450 3.207 10 0 EGAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913758059 1319117458 /nfs/dbraw/zinc/11/74/58/1319117458.db2.gz ZRXPSCKRQCXOIB-LJQANCHMSA-N 2 2 348.450 3.207 10 0 EGAELP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cnc1Br ZINC000930461122 1328862441 /nfs/dbraw/zinc/86/24/41/1328862441.db2.gz UMSOVRLDFFIIKR-YIONKMFJSA-N 2 2 338.293 3.210 10 0 EGAELP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cnc1Br ZINC000930461122 1328862449 /nfs/dbraw/zinc/86/24/49/1328862449.db2.gz UMSOVRLDFFIIKR-YIONKMFJSA-N 2 2 338.293 3.210 10 0 EGAELP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000930461122 1328862461 /nfs/dbraw/zinc/86/24/61/1328862461.db2.gz UMSOVRLDFFIIKR-YIONKMFJSA-N 2 2 338.293 3.210 10 0 EGAELP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1Br ZINC000930461122 1328862464 /nfs/dbraw/zinc/86/24/64/1328862464.db2.gz UMSOVRLDFFIIKR-YIONKMFJSA-N 2 2 338.293 3.210 10 0 EGAELP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC000921588208 1322359137 /nfs/dbraw/zinc/35/91/37/1322359137.db2.gz GALLNELCWPGFHM-BRWVUGGUSA-N 2 2 329.419 3.306 10 0 EGAELP Cc1[nH]c(-c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)cc2)[nH+]c1C ZINC000921661790 1322372507 /nfs/dbraw/zinc/37/25/07/1322372507.db2.gz ISDJYQLXLYFDOH-MRXNPFEDSA-N 2 2 344.484 3.069 10 0 EGAELP Cc1[nH]c(-c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2)[nH+]c1C ZINC000921661790 1322372510 /nfs/dbraw/zinc/37/25/10/1322372510.db2.gz ISDJYQLXLYFDOH-MRXNPFEDSA-N 2 2 344.484 3.069 10 0 EGAELP Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922562031 1322557223 /nfs/dbraw/zinc/55/72/23/1322557223.db2.gz RYIATEQXQFOCGE-UHFFFAOYSA-N 2 2 327.453 3.333 10 0 EGAELP FC(F)(F)CN1CCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922709721 1322599330 /nfs/dbraw/zinc/59/93/30/1322599330.db2.gz MXRDTVUVRGSDCU-LBPRGKRZSA-N 2 2 344.406 3.050 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000924586160 1323064532 /nfs/dbraw/zinc/06/45/32/1323064532.db2.gz HTGCVORCSLTJCS-MRXNPFEDSA-N 2 2 341.503 3.443 10 0 EGAELP Cc1[nH]c(CN2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)[nH+]c1C ZINC000931222789 1329074171 /nfs/dbraw/zinc/07/41/71/1329074171.db2.gz CTPFYLAOLKZSKE-SFTDATJTSA-N 2 2 338.499 3.371 10 0 EGAELP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000925015722 1323244534 /nfs/dbraw/zinc/24/45/34/1323244534.db2.gz KTPLDENFJNMRBO-FCHUYYIVSA-N 2 2 335.495 3.309 10 0 EGAELP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000925015722 1323244543 /nfs/dbraw/zinc/24/45/43/1323244543.db2.gz KTPLDENFJNMRBO-FCHUYYIVSA-N 2 2 335.495 3.309 10 0 EGAELP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCc4[nH+]ccc(N)c4C3)cc2)n1 ZINC000931514084 1329133761 /nfs/dbraw/zinc/13/37/61/1329133761.db2.gz PTXMQEJEILJFSZ-UHFFFAOYSA-N 2 2 333.439 3.025 10 0 EGAELP Cc1cc(C)n(-c2ccc(C[N@H+]3CCc4[nH+]ccc(N)c4C3)cc2)n1 ZINC000931514084 1329133765 /nfs/dbraw/zinc/13/37/65/1329133765.db2.gz PTXMQEJEILJFSZ-UHFFFAOYSA-N 2 2 333.439 3.025 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925148902 1325066234 /nfs/dbraw/zinc/06/62/34/1325066234.db2.gz LHBYJYQGUKQJDJ-SFTDATJTSA-N 2 2 345.531 3.372 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565229 1325211677 /nfs/dbraw/zinc/21/16/77/1325211677.db2.gz YLGPRENPNMZXHC-QUCCMNQESA-N 3 2 329.532 3.455 10 0 EGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565228 1325212028 /nfs/dbraw/zinc/21/20/28/1325212028.db2.gz YLGPRENPNMZXHC-ICSRJNTNSA-N 3 2 329.532 3.455 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925585234 1325220612 /nfs/dbraw/zinc/22/06/12/1325220612.db2.gz GTSYIWRHSABYLC-VAMGGRTRSA-N 2 2 330.516 3.395 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925585234 1325220619 /nfs/dbraw/zinc/22/06/19/1325220619.db2.gz GTSYIWRHSABYLC-VAMGGRTRSA-N 2 2 330.516 3.395 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925585233 1325220948 /nfs/dbraw/zinc/22/09/48/1325220948.db2.gz GTSYIWRHSABYLC-HSALFYBXSA-N 2 2 330.516 3.395 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925585233 1325220957 /nfs/dbraw/zinc/22/09/57/1325220957.db2.gz GTSYIWRHSABYLC-HSALFYBXSA-N 2 2 330.516 3.395 10 0 EGAELP CC1(C)[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612708 1325230852 /nfs/dbraw/zinc/23/08/52/1325230852.db2.gz TUXVEADWJCIXFK-KCITZHQASA-N 2 2 331.504 3.173 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc(-c2ccccc2)no1 ZINC000925645177 1325245830 /nfs/dbraw/zinc/24/58/30/1325245830.db2.gz OLKZIBDSRBMBPB-KBAYOESNSA-N 2 2 340.471 3.447 10 0 EGAELP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1nc(-c2ccccc2)no1 ZINC000925645177 1325245842 /nfs/dbraw/zinc/24/58/42/1325245842.db2.gz OLKZIBDSRBMBPB-KBAYOESNSA-N 2 2 340.471 3.447 10 0 EGAELP Fc1ccc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2)nc1 ZINC000925839360 1325322889 /nfs/dbraw/zinc/32/28/89/1325322889.db2.gz BEJSMMRCDIVFLO-VAMGGRTRSA-N 2 2 325.431 3.432 10 0 EGAELP Fc1ccc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cccnc2)cc1 ZINC000925847519 1325328557 /nfs/dbraw/zinc/32/85/57/1325328557.db2.gz VWLUZNMOOAKIRC-VAMGGRTRSA-N 2 2 325.431 3.432 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000926230269 1325485068 /nfs/dbraw/zinc/48/50/68/1325485068.db2.gz RSVALZAZAFRXLX-IUODEOHRSA-N 2 2 347.260 3.023 10 0 EGAELP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332383 1325518480 /nfs/dbraw/zinc/51/84/80/1325518480.db2.gz XMZAUDSNSJDQAC-BACDZXNISA-N 2 2 348.453 3.442 10 0 EGAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)C[NH+](C)C ZINC000926962415 1327799939 /nfs/dbraw/zinc/79/99/39/1327799939.db2.gz LWJKLVGUUKEBAL-WFASDCNBSA-N 2 2 329.282 3.066 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C[NH+](C)C ZINC000926962380 1327800243 /nfs/dbraw/zinc/80/02/43/1327800243.db2.gz LNCDGSQCNWFHER-OXQOHEQNSA-N 2 2 327.472 3.366 10 0 EGAELP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927101468 1327863273 /nfs/dbraw/zinc/86/32/73/1327863273.db2.gz DEXXMVRVKIWBEI-APWZRJJASA-N 2 2 341.499 3.332 10 0 EGAELP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927101468 1327863281 /nfs/dbraw/zinc/86/32/81/1327863281.db2.gz DEXXMVRVKIWBEI-APWZRJJASA-N 2 2 341.499 3.332 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927127403 1327880447 /nfs/dbraw/zinc/88/04/47/1327880447.db2.gz HERARWJHPZOMRM-RLLQIKCJSA-N 2 2 343.515 3.373 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927127403 1327880455 /nfs/dbraw/zinc/88/04/55/1327880455.db2.gz HERARWJHPZOMRM-RLLQIKCJSA-N 2 2 343.515 3.373 10 0 EGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933911337 1329932507 /nfs/dbraw/zinc/93/25/07/1329932507.db2.gz ACPGXAOAVRVCTK-HXUWFJFHSA-N 2 2 346.540 3.236 10 0 EGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933911337 1329932509 /nfs/dbraw/zinc/93/25/09/1329932509.db2.gz ACPGXAOAVRVCTK-HXUWFJFHSA-N 2 2 346.540 3.236 10 0 EGAELP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866392437 1330105714 /nfs/dbraw/zinc/10/57/14/1330105714.db2.gz DELDXZGHJFYYGB-DJKXOVBDSA-N 2 2 332.463 3.292 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517000 1330120926 /nfs/dbraw/zinc/12/09/26/1330120926.db2.gz UOQNPYZISCFOBD-OMZYAQQMSA-N 3 2 344.547 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517000 1330120928 /nfs/dbraw/zinc/12/09/28/1330120928.db2.gz UOQNPYZISCFOBD-OMZYAQQMSA-N 3 2 344.547 3.145 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661954 1330138755 /nfs/dbraw/zinc/13/87/55/1330138755.db2.gz XTQKNPXOXJNFIO-NZSAHSFTSA-N 2 2 329.488 3.176 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661954 1330138756 /nfs/dbraw/zinc/13/87/56/1330138756.db2.gz XTQKNPXOXJNFIO-NZSAHSFTSA-N 2 2 329.488 3.176 10 0 EGAELP C[NH+](C)[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)Cc1ccccc1 ZINC001184500709 1387475865 /nfs/dbraw/zinc/47/58/65/1387475865.db2.gz MOTOCAQRNDSJSZ-QGZVFWFLSA-N 2 2 345.450 3.467 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC001198767875 1369108666 /nfs/dbraw/zinc/10/86/66/1369108666.db2.gz FBYIDKUSHXOHHS-UHFFFAOYSA-N 2 2 325.456 3.347 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001325629380 1388016085 /nfs/dbraw/zinc/01/60/85/1388016085.db2.gz LUYKRKLRRPPBEX-BCDXTJNWSA-N 2 2 346.519 3.056 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001325629380 1388016092 /nfs/dbraw/zinc/01/60/92/1388016092.db2.gz LUYKRKLRRPPBEX-BCDXTJNWSA-N 2 2 346.519 3.056 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001326236754 1388131819 /nfs/dbraw/zinc/13/18/19/1388131819.db2.gz NNRQZJPYLABAFA-MRXNPFEDSA-N 2 2 334.533 3.206 10 0 EGAELP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001326489238 1388212919 /nfs/dbraw/zinc/21/29/19/1388212919.db2.gz GZOCOPBLKZZONV-AWEZNQCLSA-N 2 2 328.460 3.028 10 0 EGAELP CC[C@@H](C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1)[NH+](CC)CC ZINC001268446308 1377508457 /nfs/dbraw/zinc/50/84/57/1377508457.db2.gz HGWXSIDRAXIZIA-FQEVSTJZSA-N 2 2 345.531 3.231 10 0 EGAELP CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001269755882 1377569721 /nfs/dbraw/zinc/56/97/21/1377569721.db2.gz QKVNGHYGDZKXBZ-QGZVFWFLSA-N 2 2 340.471 3.114 10 0 EGAELP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001275608591 1378146952 /nfs/dbraw/zinc/14/69/52/1378146952.db2.gz AEBNXDGKAGSVEV-ZLPCBKJTSA-N 2 2 347.503 3.038 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001278908920 1378290357 /nfs/dbraw/zinc/29/03/57/1378290357.db2.gz ZXZLLUWDEQEAAJ-UHFFFAOYSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCC(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001278908920 1378290361 /nfs/dbraw/zinc/29/03/61/1378290361.db2.gz ZXZLLUWDEQEAAJ-UHFFFAOYSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001278908920 1378290363 /nfs/dbraw/zinc/29/03/63/1378290363.db2.gz ZXZLLUWDEQEAAJ-UHFFFAOYSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCC(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001278908920 1378290366 /nfs/dbraw/zinc/29/03/66/1378290366.db2.gz ZXZLLUWDEQEAAJ-UHFFFAOYSA-N 2 2 348.535 3.337 10 0 EGAELP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001283310966 1378797699 /nfs/dbraw/zinc/79/76/99/1378797699.db2.gz PNAQRCIAVBWPLU-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001283310966 1378797701 /nfs/dbraw/zinc/79/77/01/1378797701.db2.gz PNAQRCIAVBWPLU-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001283310966 1378797702 /nfs/dbraw/zinc/79/77/02/1378797702.db2.gz PNAQRCIAVBWPLU-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001283310966 1378797704 /nfs/dbraw/zinc/79/77/04/1378797704.db2.gz PNAQRCIAVBWPLU-PJHKVULZSA-N 2 2 344.503 3.182 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C2CC2)c[nH+]1 ZINC001283508526 1378993232 /nfs/dbraw/zinc/99/32/32/1378993232.db2.gz RCZMVIQSWMHFIZ-QGZVFWFLSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC001283680137 1379110228 /nfs/dbraw/zinc/11/02/28/1379110228.db2.gz ZHGQAWCRTIHRKI-GJZGRUSLSA-N 2 2 348.878 3.124 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284067198 1379424337 /nfs/dbraw/zinc/42/43/37/1379424337.db2.gz AEEUMQZSNHKWGU-YHTLKTDXSA-N 2 2 344.503 3.120 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284067198 1379424339 /nfs/dbraw/zinc/42/43/39/1379424339.db2.gz AEEUMQZSNHKWGU-YHTLKTDXSA-N 2 2 344.503 3.120 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C[NH2+]CCC(C)C)C3)ccn12 ZINC001284172111 1379562219 /nfs/dbraw/zinc/56/22/19/1379562219.db2.gz CTNACCQBOJZILM-AEFFLSMTSA-N 2 2 342.487 3.177 10 0 EGAELP Brc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2ccccc12 ZINC001167100906 1383538995 /nfs/dbraw/zinc/53/89/95/1383538995.db2.gz QSDYBDLTRRLNKT-HUUCEWRRSA-N 2 2 331.257 3.254 10 0 EGAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001167634840 1383694153 /nfs/dbraw/zinc/69/41/53/1383694153.db2.gz JBRSAOCKDGTOKX-SJORKVTESA-N 2 2 336.520 3.447 10 0 EGAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001167634840 1383694155 /nfs/dbraw/zinc/69/41/55/1383694155.db2.gz JBRSAOCKDGTOKX-SJORKVTESA-N 2 2 336.520 3.447 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001167634840 1383694157 /nfs/dbraw/zinc/69/41/57/1383694157.db2.gz JBRSAOCKDGTOKX-SJORKVTESA-N 2 2 336.520 3.447 10 0 EGAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001167634840 1383694159 /nfs/dbraw/zinc/69/41/59/1383694159.db2.gz JBRSAOCKDGTOKX-SJORKVTESA-N 2 2 336.520 3.447 10 0 EGAELP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308166008 1384104189 /nfs/dbraw/zinc/10/41/89/1384104189.db2.gz UFBNFIYJYCNMLS-KRWDZBQOSA-N 2 2 341.503 3.479 10 0 EGAELP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308166008 1384104195 /nfs/dbraw/zinc/10/41/95/1384104195.db2.gz UFBNFIYJYCNMLS-KRWDZBQOSA-N 2 2 341.503 3.479 10 0 EGAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001316835412 1384625585 /nfs/dbraw/zinc/62/55/85/1384625585.db2.gz OVMPENUJZQQFAO-HXUWFJFHSA-N 2 2 348.450 3.302 10 0 EGAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001316835412 1384625587 /nfs/dbraw/zinc/62/55/87/1384625587.db2.gz OVMPENUJZQQFAO-HXUWFJFHSA-N 2 2 348.450 3.302 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC001316839206 1384629236 /nfs/dbraw/zinc/62/92/36/1384629236.db2.gz DAVVIJINDUMHNO-CEXWTWQISA-N 2 2 343.515 3.495 10 0 EGAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC001316839206 1384629241 /nfs/dbraw/zinc/62/92/41/1384629241.db2.gz DAVVIJINDUMHNO-CEXWTWQISA-N 2 2 343.515 3.495 10 0 EGAELP CC(C)(C)CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317018812 1384783590 /nfs/dbraw/zinc/78/35/90/1384783590.db2.gz LZNIAIRDHDYOCN-QGZVFWFLSA-N 2 2 328.460 3.097 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1C ZINC001175991694 1385454420 /nfs/dbraw/zinc/45/44/20/1385454420.db2.gz HUSUAEQJUBXKPH-PXNSSMCTSA-N 2 2 342.483 3.147 10 0 EGAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1C ZINC001175991694 1385454423 /nfs/dbraw/zinc/45/44/23/1385454423.db2.gz HUSUAEQJUBXKPH-PXNSSMCTSA-N 2 2 342.483 3.147 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317976121 1385594661 /nfs/dbraw/zinc/59/46/61/1385594661.db2.gz WDBDUTLASSZCQU-CWDCEQMOSA-N 2 2 326.444 3.113 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317976121 1385594662 /nfs/dbraw/zinc/59/46/62/1385594662.db2.gz WDBDUTLASSZCQU-CWDCEQMOSA-N 2 2 326.444 3.113 10 0 EGAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665243 1385651465 /nfs/dbraw/zinc/65/14/65/1385651465.db2.gz URNFVWXTMWZWPA-WMLDXEAASA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665243 1385651462 /nfs/dbraw/zinc/65/14/62/1385651462.db2.gz URNFVWXTMWZWPA-WMLDXEAASA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665243 1385651469 /nfs/dbraw/zinc/65/14/69/1385651469.db2.gz URNFVWXTMWZWPA-WMLDXEAASA-N 2 2 344.952 3.500 10 0 EGAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665243 1385651472 /nfs/dbraw/zinc/65/14/72/1385651472.db2.gz URNFVWXTMWZWPA-WMLDXEAASA-N 2 2 344.952 3.500 10 0 EGAELP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176984897 1385764174 /nfs/dbraw/zinc/76/41/74/1385764174.db2.gz NUPIQPRIKLFXSA-CQSZACIVSA-N 2 2 345.443 3.397 10 0 EGAELP COC(=O)c1coc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001176984897 1385764177 /nfs/dbraw/zinc/76/41/77/1385764177.db2.gz NUPIQPRIKLFXSA-CQSZACIVSA-N 2 2 345.443 3.397 10 0 EGAELP C[C@@H](CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1)n1cc[nH+]c1 ZINC001318655596 1385819663 /nfs/dbraw/zinc/81/96/63/1385819663.db2.gz GGHLSDBITHMKLY-INIZCTEOSA-N 2 2 334.508 3.289 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001318974766 1385904291 /nfs/dbraw/zinc/90/42/91/1385904291.db2.gz HKWGPJBPKJNYFF-ULQDDVLXSA-N 2 2 334.508 3.287 10 0 EGAELP Brc1csc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001177932593 1386086995 /nfs/dbraw/zinc/08/69/95/1386086995.db2.gz KCBWOCQCZDZHKQ-UHFFFAOYSA-N 2 2 326.263 3.497 10 0 EGAELP CCC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319459581 1386130740 /nfs/dbraw/zinc/13/07/40/1386130740.db2.gz ALNKIBJRDJOUQG-XITLMJRVSA-N 2 2 342.487 3.439 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001319864240 1386343510 /nfs/dbraw/zinc/34/35/10/1386343510.db2.gz NDOGRFFOGSCQDN-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001179091731 1386398054 /nfs/dbraw/zinc/39/80/54/1386398054.db2.gz BCUVZLARFCUENW-UHFFFAOYSA-N 2 2 328.460 3.305 10 0 EGAELP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001179091731 1386398058 /nfs/dbraw/zinc/39/80/58/1386398058.db2.gz BCUVZLARFCUENW-UHFFFAOYSA-N 2 2 328.460 3.305 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698675399 1406323921 /nfs/dbraw/zinc/32/39/21/1406323921.db2.gz WJARSQQTKZNRGU-MRXNPFEDSA-N 2 2 340.471 3.361 10 0 EGAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001322352608 1387166860 /nfs/dbraw/zinc/16/68/60/1387166860.db2.gz BAXITIBIGCHJLJ-PKOBYXMFSA-N 2 2 346.519 3.187 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@@H](C)F)ccn12 ZINC001329291427 1389051704 /nfs/dbraw/zinc/05/17/04/1389051704.db2.gz UEYXASXQSRPLOO-CQSZACIVSA-N 2 2 348.466 3.079 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329474438 1389122901 /nfs/dbraw/zinc/12/29/01/1389122901.db2.gz JYIXOPXGCNFCQT-XHPSBEMXSA-N 2 2 328.460 3.359 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329474438 1389122903 /nfs/dbraw/zinc/12/29/03/1389122903.db2.gz JYIXOPXGCNFCQT-XHPSBEMXSA-N 2 2 328.460 3.359 10 0 EGAELP CCCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329499990 1389132106 /nfs/dbraw/zinc/13/21/06/1389132106.db2.gz CWMCVUPUKUHWEM-MRXNPFEDSA-N 2 2 328.460 3.113 10 0 EGAELP CCCCC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329499990 1389132108 /nfs/dbraw/zinc/13/21/08/1389132108.db2.gz CWMCVUPUKUHWEM-MRXNPFEDSA-N 2 2 328.460 3.113 10 0 EGAELP CCCC[C@@H](C[NH2+]C/C=C\Cl)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875670 1389241592 /nfs/dbraw/zinc/24/15/92/1389241592.db2.gz KVVZKPXPROHVKQ-SBSDFTTDSA-N 2 2 348.878 3.273 10 0 EGAELP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875666 1389241786 /nfs/dbraw/zinc/24/17/86/1389241786.db2.gz KVVZKPXPROHVKQ-CDVVCGDMSA-N 2 2 348.878 3.273 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC001330167058 1389321591 /nfs/dbraw/zinc/32/15/91/1389321591.db2.gz BAZAMNSPXOZYHS-QGZVFWFLSA-N 2 2 348.441 3.023 10 0 EGAELP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001330209742 1389341518 /nfs/dbraw/zinc/34/15/18/1389341518.db2.gz KRQPJHPUPWDQLE-BFYDXBDKSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001330209742 1389341525 /nfs/dbraw/zinc/34/15/25/1389341525.db2.gz KRQPJHPUPWDQLE-BFYDXBDKSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001330209742 1389341531 /nfs/dbraw/zinc/34/15/31/1389341531.db2.gz KRQPJHPUPWDQLE-BFYDXBDKSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001330209742 1389341538 /nfs/dbraw/zinc/34/15/38/1389341538.db2.gz KRQPJHPUPWDQLE-BFYDXBDKSA-N 2 2 346.519 3.166 10 0 EGAELP C[C@H](CC(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001698725483 1406375082 /nfs/dbraw/zinc/37/50/82/1406375082.db2.gz FYIDMFCDDDWTJV-QGZVFWFLSA-N 2 2 348.535 3.489 10 0 EGAELP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001331647103 1389847201 /nfs/dbraw/zinc/84/72/01/1389847201.db2.gz LYVZTCLMVLGMFM-YOEHRIQHSA-N 2 2 348.878 3.124 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001698755692 1406408061 /nfs/dbraw/zinc/40/80/61/1406408061.db2.gz REHGZHKLRVVFSW-INIZCTEOSA-N 2 2 348.535 3.239 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@H]3C2)c(C)[nH+]1 ZINC001332139932 1390004130 /nfs/dbraw/zinc/00/41/30/1390004130.db2.gz LSLIHYYOJBFCHL-BZSNNMDCSA-N 2 2 347.478 3.197 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001332835133 1390196708 /nfs/dbraw/zinc/19/67/08/1390196708.db2.gz ZENWSENXTRMRSB-OALUTQOASA-N 2 2 325.456 3.491 10 0 EGAELP c1oc(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001332835133 1390196710 /nfs/dbraw/zinc/19/67/10/1390196710.db2.gz ZENWSENXTRMRSB-OALUTQOASA-N 2 2 325.456 3.491 10 0 EGAELP CCCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001332874137 1390205751 /nfs/dbraw/zinc/20/57/51/1390205751.db2.gz KDCGJTRZJBWJCF-QGZVFWFLSA-N 2 2 344.503 3.106 10 0 EGAELP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC001332909165 1390214327 /nfs/dbraw/zinc/21/43/27/1390214327.db2.gz MZTMWIYKIDABGY-WMZOPIPTSA-N 2 2 342.487 3.073 10 0 EGAELP CC[C@](O)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC001333306905 1390280581 /nfs/dbraw/zinc/28/05/81/1390280581.db2.gz BLHLZISSQRGNSU-HNNXBMFYSA-N 2 2 333.398 3.079 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC001334388943 1390530274 /nfs/dbraw/zinc/53/02/74/1390530274.db2.gz FVYVEHLARHNRQJ-FXAWDEMLSA-N 2 2 329.488 3.056 10 0 EGAELP COc1c2ccccc2[nH]c1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001345412435 1390859044 /nfs/dbraw/zinc/85/90/44/1390859044.db2.gz ROLAZXORMSWJIP-UHFFFAOYSA-N 2 2 347.378 3.318 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC001353232911 1391968629 /nfs/dbraw/zinc/96/86/29/1391968629.db2.gz YPCBAPYOJQFBPH-OALUTQOASA-N 2 2 339.414 3.166 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479692117 1392323204 /nfs/dbraw/zinc/32/32/04/1392323204.db2.gz OJTTVVDEZHZHRD-VGOKWCNXSA-N 2 2 332.492 3.059 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479830826 1392417455 /nfs/dbraw/zinc/41/74/55/1392417455.db2.gz FGBBTJGAWFAIEM-AEFFLSMTSA-N 2 2 346.519 3.282 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480290251 1392662015 /nfs/dbraw/zinc/66/20/15/1392662015.db2.gz NIBRJLTZBOXIIH-KSSFIOAISA-N 2 2 331.504 3.495 10 0 EGAELP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481098011 1393119297 /nfs/dbraw/zinc/11/92/97/1393119297.db2.gz PSKCXYYSHZUVAM-LKGOPFMKSA-N 2 2 346.519 3.111 10 0 EGAELP CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481098011 1393119298 /nfs/dbraw/zinc/11/92/98/1393119298.db2.gz PSKCXYYSHZUVAM-LKGOPFMKSA-N 2 2 346.519 3.111 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC001698901429 1406634608 /nfs/dbraw/zinc/63/46/08/1406634608.db2.gz WKFQLDHODGPYBU-WBVHZDCISA-N 2 2 348.535 3.189 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001698935264 1406674504 /nfs/dbraw/zinc/67/45/04/1406674504.db2.gz PHNRTHNGJPQMFR-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490774096 1394336924 /nfs/dbraw/zinc/33/69/24/1394336924.db2.gz FUIRQWFKLBHBEQ-MSOLQXFVSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490774096 1394336928 /nfs/dbraw/zinc/33/69/28/1394336928.db2.gz FUIRQWFKLBHBEQ-MSOLQXFVSA-N 2 2 334.508 3.195 10 0 EGAELP CCCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001481520426 1394370581 /nfs/dbraw/zinc/37/05/81/1394370581.db2.gz PNGFCVDQPQDXNX-UHFFFAOYSA-N 2 2 334.508 3.048 10 0 EGAELP CCCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001481520426 1394370585 /nfs/dbraw/zinc/37/05/85/1394370585.db2.gz PNGFCVDQPQDXNX-UHFFFAOYSA-N 2 2 334.508 3.048 10 0 EGAELP O=C(NC[C@H]1CCCC[N@H+]1CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001491212994 1394473748 /nfs/dbraw/zinc/47/37/48/1394473748.db2.gz GEONUAMVRQIUSA-MRXNPFEDSA-N 2 2 346.450 3.287 10 0 EGAELP O=C(NC[C@H]1CCCC[N@@H+]1CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001491212994 1394473752 /nfs/dbraw/zinc/47/37/52/1394473752.db2.gz GEONUAMVRQIUSA-MRXNPFEDSA-N 2 2 346.450 3.287 10 0 EGAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CC2(CCC2)C1 ZINC001481832081 1394549971 /nfs/dbraw/zinc/54/99/71/1394549971.db2.gz GNNOPIGGWFPQTN-MRXNPFEDSA-N 2 2 340.471 3.013 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001481961887 1394623408 /nfs/dbraw/zinc/62/34/08/1394623408.db2.gz OKFYSSFJDZUGCM-XLIONFOSSA-N 2 2 348.535 3.054 10 0 EGAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCC1CCCCC1 ZINC001482113245 1394752075 /nfs/dbraw/zinc/75/20/75/1394752075.db2.gz JWYBSQOTUDKTIF-OAHLLOKOSA-N 2 2 342.487 3.489 10 0 EGAELP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001482242243 1394838606 /nfs/dbraw/zinc/83/86/06/1394838606.db2.gz BKJHHMVAGPMQMC-SFHVURJKSA-N 2 2 346.519 3.195 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482338957 1394907373 /nfs/dbraw/zinc/90/73/73/1394907373.db2.gz QZUICADRHHQMSO-IAGOWNOFSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001482420818 1394982081 /nfs/dbraw/zinc/98/20/81/1394982081.db2.gz GAKPZOCBBWVODW-CRAIPNDOSA-N 2 2 342.487 3.273 10 0 EGAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001482493916 1395046114 /nfs/dbraw/zinc/04/61/14/1395046114.db2.gz IJCAPYPTUUYSAI-LPHOPBHVSA-N 2 2 346.519 3.139 10 0 EGAELP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001483908237 1395138970 /nfs/dbraw/zinc/13/89/70/1395138970.db2.gz FUWMZRKSTHFHFH-SJORKVTESA-N 2 2 342.487 3.497 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001485441383 1395908025 /nfs/dbraw/zinc/90/80/25/1395908025.db2.gz LZRSSRABROVOGN-QGZVFWFLSA-N 2 2 348.535 3.160 10 0 EGAELP CC(C)=CC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001485785647 1396153504 /nfs/dbraw/zinc/15/35/04/1396153504.db2.gz AQICYLQFMGFHHN-MRXNPFEDSA-N 2 2 328.460 3.263 10 0 EGAELP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001486085736 1396176237 /nfs/dbraw/zinc/17/62/37/1396176237.db2.gz WARDLBIVFAOBBD-ATQQARJTSA-N 2 2 326.444 3.112 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492159374 1396309717 /nfs/dbraw/zinc/30/97/17/1396309717.db2.gz ZIKBLYPOFWUEMG-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492159374 1396309718 /nfs/dbraw/zinc/30/97/18/1396309718.db2.gz ZIKBLYPOFWUEMG-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492159374 1396309719 /nfs/dbraw/zinc/30/97/19/1396309719.db2.gz ZIKBLYPOFWUEMG-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP O=C(NCCC[C@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492159374 1396309720 /nfs/dbraw/zinc/30/97/20/1396309720.db2.gz ZIKBLYPOFWUEMG-RCCFBDPRSA-N 2 2 344.503 3.064 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001493836488 1396343931 /nfs/dbraw/zinc/34/39/31/1396343931.db2.gz ISBGDAHECVGDKR-INIZCTEOSA-N 2 2 348.535 3.006 10 0 EGAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001495117446 1396516146 /nfs/dbraw/zinc/51/61/46/1396516146.db2.gz KNYAVSHJBRRGPB-LPHOPBHVSA-N 2 2 342.487 3.252 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]Cc3ccsc3)ccn12 ZINC001497188417 1396735852 /nfs/dbraw/zinc/73/58/52/1396735852.db2.gz JDZWFIKLVGTAMU-CYBMUJFWSA-N 2 2 342.468 3.002 10 0 EGAELP COC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001689265159 1396997338 /nfs/dbraw/zinc/99/73/38/1396997338.db2.gz PCMNCUWDCGUJDR-SJLPKXTDSA-N 2 2 347.503 3.016 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690413611 1404545471 /nfs/dbraw/zinc/54/54/71/1404545471.db2.gz HDTKZXQTIQCGPT-LSDHHAIUSA-N 2 2 328.460 3.051 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]CCC(C)(C)C)C3)ccn12 ZINC001690708180 1404694997 /nfs/dbraw/zinc/69/49/97/1404694997.db2.gz LHGGNFNUZJTXDC-INIZCTEOSA-N 2 2 342.487 3.131 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001691625273 1405363309 /nfs/dbraw/zinc/36/33/09/1405363309.db2.gz FHBCOAOGSTUNQK-RTBURBONSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787813 1405497562 /nfs/dbraw/zinc/49/75/62/1405497562.db2.gz UDSTXYZGIRDEHX-MJGOQNOKSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787813 1405497565 /nfs/dbraw/zinc/49/75/65/1405497565.db2.gz UDSTXYZGIRDEHX-MJGOQNOKSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787813 1405497573 /nfs/dbraw/zinc/49/75/73/1405497573.db2.gz UDSTXYZGIRDEHX-MJGOQNOKSA-N 2 2 348.535 3.337 10 0 EGAELP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787813 1405497575 /nfs/dbraw/zinc/49/75/75/1405497575.db2.gz UDSTXYZGIRDEHX-MJGOQNOKSA-N 2 2 348.535 3.337 10 0 EGAELP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001691972414 1405688280 /nfs/dbraw/zinc/68/82/80/1405688280.db2.gz RTPPYFRUCCYVQP-LJQANCHMSA-N 2 2 346.519 3.024 10 0 EGAELP C[N@@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001691972414 1405688282 /nfs/dbraw/zinc/68/82/82/1405688282.db2.gz RTPPYFRUCCYVQP-LJQANCHMSA-N 2 2 346.519 3.024 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1CCC(C)(C)C ZINC001692012155 1405730779 /nfs/dbraw/zinc/73/07/79/1405730779.db2.gz VSUNOUVQMGIYQF-IXDOHACOSA-N 2 2 334.508 3.240 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1CCC(C)(C)C ZINC001692012155 1405730783 /nfs/dbraw/zinc/73/07/83/1405730783.db2.gz VSUNOUVQMGIYQF-IXDOHACOSA-N 2 2 334.508 3.240 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001692332843 1405951719 /nfs/dbraw/zinc/95/17/19/1405951719.db2.gz GSBPRSWRIZFYRA-GOSISDBHSA-N 2 2 346.519 3.283 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001731998096 1428207508 /nfs/dbraw/zinc/20/75/08/1428207508.db2.gz AAHMTMJOTXBPQW-JOGGYFKDSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001731998096 1428207513 /nfs/dbraw/zinc/20/75/13/1428207513.db2.gz AAHMTMJOTXBPQW-JOGGYFKDSA-N 2 2 346.519 3.161 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@@H+](CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001732054900 1428297865 /nfs/dbraw/zinc/29/78/65/1428297865.db2.gz KTPYWBMTMDIORC-WMLDXEAASA-N 2 2 335.467 3.197 10 0 EGAELP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@H+](CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001732054900 1428297867 /nfs/dbraw/zinc/29/78/67/1428297867.db2.gz KTPYWBMTMDIORC-WMLDXEAASA-N 2 2 335.467 3.197 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732171487 1428415138 /nfs/dbraw/zinc/41/51/38/1428415138.db2.gz GWDORLWZISPQCD-APWZRJJASA-N 2 2 346.519 3.091 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732171487 1428415140 /nfs/dbraw/zinc/41/51/40/1428415140.db2.gz GWDORLWZISPQCD-APWZRJJASA-N 2 2 346.519 3.091 10 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UBZGETBTIFGVCI-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001700973457 1414602134 /nfs/dbraw/zinc/60/21/34/1414602134.db2.gz IPDZYRHBPUIFKI-UHFFFAOYSA-N 2 2 342.487 3.307 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001700973457 1414602135 /nfs/dbraw/zinc/60/21/35/1414602135.db2.gz IPDZYRHBPUIFKI-UHFFFAOYSA-N 2 2 342.487 3.307 10 0 EGAELP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001701019982 1414680706 /nfs/dbraw/zinc/68/07/06/1414680706.db2.gz URALFIGTVBDLJJ-DAWZGUTISA-N 2 2 334.508 3.095 10 0 EGAELP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732783136 1428967697 /nfs/dbraw/zinc/96/76/97/1428967697.db2.gz YNGYRIHPILDULN-TWGQIWQCSA-N 2 2 348.450 3.328 10 0 EGAELP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732779604 1428965356 /nfs/dbraw/zinc/96/53/56/1428965356.db2.gz XIAVTDHQYJXZQX-CGTJXYLNSA-N 2 2 340.471 3.021 10 0 EGAELP 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ZINC001707144769 1417221379 /nfs/dbraw/zinc/22/13/79/1417221379.db2.gz UPEFCUDOMULPBI-RIOIIYTLSA-N 2 2 346.519 3.224 10 0 EGAELP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707279797 1417288030 /nfs/dbraw/zinc/28/80/30/1417288030.db2.gz KAMKQEOCNCRIPE-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001707279797 1417288032 /nfs/dbraw/zinc/28/80/32/1417288032.db2.gz KAMKQEOCNCRIPE-QZTJIDSGSA-N 2 2 348.535 3.316 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001712951054 1417509284 /nfs/dbraw/zinc/50/92/84/1417509284.db2.gz ALVVDCMVHYDEPJ-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001712951054 1417509285 /nfs/dbraw/zinc/50/92/85/1417509285.db2.gz ALVVDCMVHYDEPJ-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001712951054 1417509286 /nfs/dbraw/zinc/50/92/86/1417509286.db2.gz ALVVDCMVHYDEPJ-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001712951054 1417509289 /nfs/dbraw/zinc/50/92/89/1417509289.db2.gz ALVVDCMVHYDEPJ-CQSZACIVSA-N 2 2 348.878 3.195 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001712974813 1417528423 /nfs/dbraw/zinc/52/84/23/1417528423.db2.gz HZWPNGGTIUEOFK-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001712974813 1417528425 /nfs/dbraw/zinc/52/84/25/1417528425.db2.gz HZWPNGGTIUEOFK-SFHVURJKSA-N 2 2 342.487 3.089 10 0 EGAELP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712999492 1417552169 /nfs/dbraw/zinc/55/21/69/1417552169.db2.gz MSOATZXAPXKQDE-JKSUJKDBSA-N 2 2 328.460 3.107 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713288238 1417915340 /nfs/dbraw/zinc/91/53/40/1417915340.db2.gz KSLNGOSTRJJHQT-CTWPCTMYSA-N 2 2 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CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1)c1c[nH+]c[nH]1 ZINC001723966689 1424613145 /nfs/dbraw/zinc/61/31/45/1424613145.db2.gz FSRSXEMWJVAWOZ-KRWDZBQOSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)C[C@@H](C(=O)NC1(C)CC[NH+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001724004616 1424624438 /nfs/dbraw/zinc/62/44/38/1424624438.db2.gz LNOQQNRTDTZXHX-KRWDZBQOSA-N 2 2 334.508 3.097 10 0 EGAELP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724323319 1424810195 /nfs/dbraw/zinc/81/01/95/1424810195.db2.gz KARMXJRTZXHYRQ-MJGOQNOKSA-N 2 2 334.508 3.099 10 0 EGAELP CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724323319 1424810201 /nfs/dbraw/zinc/81/02/01/1424810201.db2.gz KARMXJRTZXHYRQ-MJGOQNOKSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001724557565 1424911953 /nfs/dbraw/zinc/91/19/53/1424911953.db2.gz DFMLQSQYTCWFID-MAUKXSAKSA-N 2 2 346.519 3.058 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001724846020 1425197495 /nfs/dbraw/zinc/19/74/95/1425197495.db2.gz GFZRAVVONUUHLI-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001724846020 1425197501 /nfs/dbraw/zinc/19/75/01/1425197501.db2.gz GFZRAVVONUUHLI-PKOBYXMFSA-N 2 2 346.519 3.385 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040650 1425465784 /nfs/dbraw/zinc/46/57/84/1425465784.db2.gz KEVFVKRZEQHEQY-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725040650 1425465791 /nfs/dbraw/zinc/46/57/91/1425465791.db2.gz KEVFVKRZEQHEQY-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040650 1425465796 /nfs/dbraw/zinc/46/57/96/1425465796.db2.gz KEVFVKRZEQHEQY-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725040650 1425465802 /nfs/dbraw/zinc/46/58/02/1425465802.db2.gz KEVFVKRZEQHEQY-FZGCCYDFSA-N 2 2 344.503 3.182 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062933 1425504511 /nfs/dbraw/zinc/50/45/11/1425504511.db2.gz YKJSWIKNQWOSHX-RBUKOAKNSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062933 1425504515 /nfs/dbraw/zinc/50/45/15/1425504515.db2.gz YKJSWIKNQWOSHX-RBUKOAKNSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)C[C@H](C(=O)NC1CC(C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001725067194 1425508881 /nfs/dbraw/zinc/50/88/81/1425508881.db2.gz QGIDVGZTLHJWQD-CTWPCTMYSA-N 2 2 346.519 3.145 10 0 EGAELP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001725144420 1425624515 /nfs/dbraw/zinc/62/45/15/1425624515.db2.gz PLZGEHBFPOKVDL-UHFFFAOYSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725236507 1425824423 /nfs/dbraw/zinc/82/44/23/1425824423.db2.gz KRJRPLUPTMIPLE-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725236507 1425824429 /nfs/dbraw/zinc/82/44/29/1425824429.db2.gz KRJRPLUPTMIPLE-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725236507 1425824435 /nfs/dbraw/zinc/82/44/35/1425824435.db2.gz KRJRPLUPTMIPLE-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725236507 1425824445 /nfs/dbraw/zinc/82/44/45/1425824445.db2.gz KRJRPLUPTMIPLE-RCCFBDPRSA-N 2 2 346.519 3.310 10 0 EGAELP CC[C@H](F)C[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725442163 1426102666 /nfs/dbraw/zinc/10/26/66/1426102666.db2.gz IKZLZXOGVVYBNF-DLBZAZTESA-N 2 2 348.466 3.125 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001725622862 1426289165 /nfs/dbraw/zinc/28/91/65/1426289165.db2.gz IEGPZITVKFRJCK-XXCOWLKOSA-N 2 2 346.519 3.157 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535196 1427530056 /nfs/dbraw/zinc/53/00/56/1427530056.db2.gz BGDXJLWNSZSPJY-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)n1cc[nH+]c1 ZINC001731535196 1427530054 /nfs/dbraw/zinc/53/00/54/1427530054.db2.gz BGDXJLWNSZSPJY-MSOLQXFVSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001731921119 1428170945 /nfs/dbraw/zinc/17/09/45/1428170945.db2.gz UWNHMGKHVFPMFT-SFHVURJKSA-N 2 2 346.519 3.099 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001733665106 1429858232 /nfs/dbraw/zinc/85/82/32/1429858232.db2.gz CPPCCBQEGSPINC-SFHVURJKSA-N 2 2 346.519 3.141 10 0 EGAELP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733803522 1430071422 /nfs/dbraw/zinc/07/14/22/1430071422.db2.gz ADSXLVYVHMINRV-IAGOWNOFSA-N 2 2 346.519 3.454 10 0 EGAELP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733803522 1430071424 /nfs/dbraw/zinc/07/14/24/1430071424.db2.gz ADSXLVYVHMINRV-IAGOWNOFSA-N 2 2 346.519 3.454 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733864375 1437692705 /nfs/dbraw/zinc/69/27/05/1437692705.db2.gz QSFPHZKYVQCAQM-SDKBWNRFSA-N 2 2 344.503 3.230 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733864375 1437692708 /nfs/dbraw/zinc/69/27/08/1437692708.db2.gz QSFPHZKYVQCAQM-SDKBWNRFSA-N 2 2 344.503 3.230 10 0 EGAELP CC1(C)C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001733874359 1437700747 /nfs/dbraw/zinc/70/07/47/1437700747.db2.gz DBHNSICZNVBWIF-GOSISDBHSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001733874359 1437700748 /nfs/dbraw/zinc/70/07/48/1437700748.db2.gz DBHNSICZNVBWIF-GOSISDBHSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001733874359 1437700751 /nfs/dbraw/zinc/70/07/51/1437700751.db2.gz DBHNSICZNVBWIF-GOSISDBHSA-N 2 2 344.503 3.059 10 0 EGAELP CC1(C)C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001733874359 1437700752 /nfs/dbraw/zinc/70/07/52/1437700752.db2.gz DBHNSICZNVBWIF-GOSISDBHSA-N 2 2 344.503 3.059 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC3CCC3)ccn12 ZINC001733974548 1437774401 /nfs/dbraw/zinc/77/44/01/1437774401.db2.gz VQQPVIOGDYCGQY-JKSUJKDBSA-N 2 2 342.487 3.319 10 0 EGAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)CCC(C)(C)C ZINC001734045538 1437834452 /nfs/dbraw/zinc/83/44/52/1437834452.db2.gz AWBAMVFSBNCVEC-MRXNPFEDSA-N 2 2 342.487 3.359 10 0 EGAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)CCC(C)(C)C ZINC001734045538 1437834455 /nfs/dbraw/zinc/83/44/55/1437834455.db2.gz AWBAMVFSBNCVEC-MRXNPFEDSA-N 2 2 342.487 3.359 10 0 EGAELP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001734351984 1438069969 /nfs/dbraw/zinc/06/99/69/1438069969.db2.gz WLYBVCQLLCJIRB-HZPDHXFCSA-N 2 2 342.487 3.193 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001734552189 1438150269 /nfs/dbraw/zinc/15/02/69/1438150269.db2.gz WFCFOANUWSUYNH-KRWDZBQOSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001734552189 1438150271 /nfs/dbraw/zinc/15/02/71/1438150271.db2.gz WFCFOANUWSUYNH-KRWDZBQOSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001734552189 1438150274 /nfs/dbraw/zinc/15/02/74/1438150274.db2.gz WFCFOANUWSUYNH-KRWDZBQOSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001734552189 1438150275 /nfs/dbraw/zinc/15/02/75/1438150275.db2.gz WFCFOANUWSUYNH-KRWDZBQOSA-N 2 2 342.487 3.272 10 0 EGAELP CC(C)(C)[C@H](C[NH2+]Cc1ccsc1)NC(=O)CCCn1cc[nH+]c1 ZINC001734576805 1438169691 /nfs/dbraw/zinc/16/96/91/1438169691.db2.gz YYOVNXMGALNWEF-INIZCTEOSA-N 2 2 348.516 3.046 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC(C2(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001734607388 1438186661 /nfs/dbraw/zinc/18/66/61/1438186661.db2.gz QWRVCQZJAYXVBI-UHFFFAOYSA-N 2 2 346.519 3.139 10 0 EGAELP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000368099891 168310265 /nfs/dbraw/zinc/31/02/65/168310265.db2.gz GLQDEMSBZAOAFH-WDEREUQCSA-N 2 2 335.835 3.288 10 0 EGAELP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000368099891 168310267 /nfs/dbraw/zinc/31/02/67/168310267.db2.gz GLQDEMSBZAOAFH-WDEREUQCSA-N 2 2 335.835 3.288 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099225 168310663 /nfs/dbraw/zinc/31/06/63/168310663.db2.gz FAHPSMNSSDNZQB-SMDDNHRTSA-N 2 2 334.261 3.250 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099225 168310666 /nfs/dbraw/zinc/31/06/66/168310666.db2.gz FAHPSMNSSDNZQB-SMDDNHRTSA-N 2 2 334.261 3.250 10 0 EGAELP Brc1ccsc1C[N@@H+]1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053656800 214192312 /nfs/dbraw/zinc/19/23/12/214192312.db2.gz ULAYAJOPKRJNPC-LLVKDONJSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1ccsc1C[N@H+]1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053656800 214192314 /nfs/dbraw/zinc/19/23/14/214192314.db2.gz ULAYAJOPKRJNPC-LLVKDONJSA-N 2 2 329.307 3.475 10 0 EGAELP c1ccc(N2CCC([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)[nH+]c1 ZINC000368517659 168367280 /nfs/dbraw/zinc/36/72/80/168367280.db2.gz JCFOIMNQUDMCLX-INIZCTEOSA-N 2 2 332.451 3.289 10 0 EGAELP Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000097731812 219052950 /nfs/dbraw/zinc/05/29/50/219052950.db2.gz MFWAEFUYEMJLDQ-UHFFFAOYSA-N 2 2 339.418 3.081 10 0 EGAELP Cc1cccc([C@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000173683215 231004647 /nfs/dbraw/zinc/00/46/47/231004647.db2.gz VDYVJFVJAPDMHH-SFHVURJKSA-N 2 2 326.488 3.349 10 0 EGAELP Cc1cccc([C@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000173683215 231004649 /nfs/dbraw/zinc/00/46/49/231004649.db2.gz VDYVJFVJAPDMHH-SFHVURJKSA-N 2 2 326.488 3.349 10 0 EGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000183617202 529799932 /nfs/dbraw/zinc/79/99/32/529799932.db2.gz UWLUGXIAAXKKTH-UHFFFAOYSA-N 2 2 335.411 3.164 10 0 EGAELP C[N@H+](Cc1ccc(Cl)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589760 529986122 /nfs/dbraw/zinc/98/61/22/529986122.db2.gz NRCDUTTZOPBTTH-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP C[N@@H+](Cc1ccc(Cl)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589760 529986123 /nfs/dbraw/zinc/98/61/23/529986123.db2.gz NRCDUTTZOPBTTH-UHFFFAOYSA-N 2 2 338.908 3.194 10 0 EGAELP C[N@@H+](Cc1ccc(Br)c(F)c1F)C[C@H]1CC[NH+](C)C1 ZINC000529552639 313353439 /nfs/dbraw/zinc/35/34/39/313353439.db2.gz SVEBDXJLURIOPT-JTQLQIEISA-N 2 2 333.220 3.111 10 0 EGAELP C[N@H+](Cc1ccc(Br)c(F)c1F)C[C@H]1CC[NH+](C)C1 ZINC000529552639 313353441 /nfs/dbraw/zinc/35/34/41/313353441.db2.gz SVEBDXJLURIOPT-JTQLQIEISA-N 2 2 333.220 3.111 10 0 EGAELP C[NH+](Cc1ccc(Br)c(F)c1F)C[C@H]1CC[N@H+](C)C1 ZINC000529552639 313353443 /nfs/dbraw/zinc/35/34/43/313353443.db2.gz SVEBDXJLURIOPT-JTQLQIEISA-N 2 2 333.220 3.111 10 0 EGAELP C[NH+](Cc1ccc(Br)c(F)c1F)C[C@H]1CC[N@@H+](C)C1 ZINC000529552639 313353445 /nfs/dbraw/zinc/35/34/45/313353445.db2.gz SVEBDXJLURIOPT-JTQLQIEISA-N 2 2 333.220 3.111 10 0 EGAELP Cc1[nH+]ccn1-c1ccnc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000069654339 215517769 /nfs/dbraw/zinc/51/77/69/215517769.db2.gz FBAJXKHNWLODBR-UHFFFAOYSA-N 2 2 344.378 3.014 10 0 EGAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000377715781 169067145 /nfs/dbraw/zinc/06/71/45/169067145.db2.gz ABUSIBRGFGQGRT-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000377715781 169067148 /nfs/dbraw/zinc/06/71/48/169067148.db2.gz ABUSIBRGFGQGRT-NSHDSACASA-N 2 2 340.652 3.473 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378338383 169103179 /nfs/dbraw/zinc/10/31/79/169103179.db2.gz BXRZRLIAZDDPRP-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644132 218239413 /nfs/dbraw/zinc/23/94/13/218239413.db2.gz MJIMMHLATHWCLV-BEFAXECRSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644132 218239415 /nfs/dbraw/zinc/23/94/15/218239415.db2.gz MJIMMHLATHWCLV-BEFAXECRSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644132 218239418 /nfs/dbraw/zinc/23/94/18/218239418.db2.gz MJIMMHLATHWCLV-BEFAXECRSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644132 218239420 /nfs/dbraw/zinc/23/94/20/218239420.db2.gz MJIMMHLATHWCLV-BEFAXECRSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000095440046 218384869 /nfs/dbraw/zinc/38/48/69/218384869.db2.gz LZSVSYRZCLXUGP-GFCCVEGCSA-N 2 2 327.325 3.454 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704299 252154832 /nfs/dbraw/zinc/15/48/32/252154832.db2.gz HIOPWBWLQDOEBX-HOJAQTOUSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704299 252154835 /nfs/dbraw/zinc/15/48/35/252154835.db2.gz HIOPWBWLQDOEBX-HOJAQTOUSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000268704299 252154839 /nfs/dbraw/zinc/15/48/39/252154839.db2.gz HIOPWBWLQDOEBX-HOJAQTOUSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000268704299 252154840 /nfs/dbraw/zinc/15/48/40/252154840.db2.gz HIOPWBWLQDOEBX-HOJAQTOUSA-N 2 2 341.499 3.383 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@@H+]1C1CC1 ZINC000119290230 221286486 /nfs/dbraw/zinc/28/64/86/221286486.db2.gz DSNHWQKWTKDJHF-CXAGYDPISA-N 2 2 329.419 3.238 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C[N@H+]1C1CC1 ZINC000119290230 221286490 /nfs/dbraw/zinc/28/64/90/221286490.db2.gz DSNHWQKWTKDJHF-CXAGYDPISA-N 2 2 329.419 3.238 10 0 EGAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299749796 258007767 /nfs/dbraw/zinc/00/77/67/258007767.db2.gz LORUXXZBCFOUKA-CQSZACIVSA-N 2 2 326.444 3.076 10 0 EGAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3noc4c3CCCC4)C1)CCCC2 ZINC000299749796 258007768 /nfs/dbraw/zinc/00/77/68/258007768.db2.gz LORUXXZBCFOUKA-CQSZACIVSA-N 2 2 326.444 3.076 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000184734242 144098203 /nfs/dbraw/zinc/09/82/03/144098203.db2.gz FVXRQWNRJXTYMC-MRXNPFEDSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000184734242 144098205 /nfs/dbraw/zinc/09/82/05/144098205.db2.gz FVXRQWNRJXTYMC-MRXNPFEDSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000184734242 144098207 /nfs/dbraw/zinc/09/82/07/144098207.db2.gz FVXRQWNRJXTYMC-MRXNPFEDSA-N 2 2 335.455 3.265 10 0 EGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000184734242 144098209 /nfs/dbraw/zinc/09/82/09/144098209.db2.gz FVXRQWNRJXTYMC-MRXNPFEDSA-N 2 2 335.455 3.265 10 0 EGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C12CCOCC2 ZINC000249034002 286285261 /nfs/dbraw/zinc/28/52/61/286285261.db2.gz TTYNGRNZJGRPGR-VAMGGRTRSA-N 2 2 346.515 3.162 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000119700867 152223640 /nfs/dbraw/zinc/22/36/40/152223640.db2.gz WMPCWPGPFQQLMP-ZDUSSCGKSA-N 2 2 345.878 3.198 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000192762201 153257751 /nfs/dbraw/zinc/25/77/51/153257751.db2.gz LFCGNBJZIPNQJJ-KBPBESRZSA-N 2 2 337.427 3.397 10 0 EGAELP CCO[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000193428395 153290607 /nfs/dbraw/zinc/29/06/07/153290607.db2.gz LRUFLYVDTUNJIS-OAQYLSRUSA-N 2 2 339.483 3.413 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261888894 153745589 /nfs/dbraw/zinc/74/55/89/153745589.db2.gz VGTNGWQNWSKEBN-YGRLFVJLSA-N 2 2 344.286 3.380 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261888894 153745594 /nfs/dbraw/zinc/74/55/94/153745594.db2.gz VGTNGWQNWSKEBN-YGRLFVJLSA-N 2 2 344.286 3.380 10 0 EGAELP CC[NH+](CC)CC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000336858016 154219477 /nfs/dbraw/zinc/21/94/77/154219477.db2.gz WNEFBAVFMGWCLP-AWEZNQCLSA-N 2 2 325.522 3.404 10 0 EGAELP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[NH+](CC)CC)CC2)n1 ZINC000336870029 154222967 /nfs/dbraw/zinc/22/29/67/154222967.db2.gz GYCQLVLWMPRBRN-AWEZNQCLSA-N 2 2 340.537 3.438 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231279 162148241 /nfs/dbraw/zinc/14/82/41/162148241.db2.gz WXUKXPOXZCBYFF-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231279 162148244 /nfs/dbraw/zinc/14/82/44/162148244.db2.gz WXUKXPOXZCBYFF-DOTOQJQBSA-N 2 2 337.458 3.128 10 0 EGAELP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000131185046 162394123 /nfs/dbraw/zinc/39/41/23/162394123.db2.gz NNHFBWOBHRQVTP-FQEVSTJZSA-N 2 2 347.572 3.070 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000338475883 163238986 /nfs/dbraw/zinc/23/89/86/163238986.db2.gz DKLLBMAVLYDBGI-SFHVURJKSA-N 2 2 333.863 3.445 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000343646389 164002222 /nfs/dbraw/zinc/00/22/22/164002222.db2.gz ZJLBMKQSBIKHDC-UHFFFAOYSA-N 2 2 339.468 3.164 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335175 164370643 /nfs/dbraw/zinc/37/06/43/164370643.db2.gz YOBYNVDJZVNMRV-APWZRJJASA-N 2 2 340.471 3.431 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335175 164370644 /nfs/dbraw/zinc/37/06/44/164370644.db2.gz YOBYNVDJZVNMRV-APWZRJJASA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335175 164370645 /nfs/dbraw/zinc/37/06/45/164370645.db2.gz YOBYNVDJZVNMRV-APWZRJJASA-N 2 2 340.471 3.431 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)[C@H](C)C1 ZINC000346335175 164370646 /nfs/dbraw/zinc/37/06/46/164370646.db2.gz YOBYNVDJZVNMRV-APWZRJJASA-N 2 2 340.471 3.431 10 0 EGAELP [NH3+]CCCN(Cc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1F ZINC000346379942 164377327 /nfs/dbraw/zinc/37/73/27/164377327.db2.gz DVRFMRZNTXMNBH-UHFFFAOYSA-N 2 2 332.810 3.482 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000354919987 166064255 /nfs/dbraw/zinc/06/42/55/166064255.db2.gz MROXHVSYIKFRPZ-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000351910403 165145623 /nfs/dbraw/zinc/14/56/23/165145623.db2.gz RFEZTYPONDWOLM-OAHLLOKOSA-N 2 2 340.427 3.337 10 0 EGAELP CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000351910403 165145627 /nfs/dbraw/zinc/14/56/27/165145627.db2.gz RFEZTYPONDWOLM-OAHLLOKOSA-N 2 2 340.427 3.337 10 0 EGAELP Cn1nccc1-c1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000352382287 165375010 /nfs/dbraw/zinc/37/50/10/165375010.db2.gz CXJYYTXKOYMWDO-UHFFFAOYSA-N 2 2 335.455 3.464 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355269120 166151154 /nfs/dbraw/zinc/15/11/54/166151154.db2.gz USWGRFJLAGEKPV-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000355269120 166151155 /nfs/dbraw/zinc/15/11/55/166151155.db2.gz USWGRFJLAGEKPV-RHSMWYFYSA-N 2 2 339.468 3.485 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000355646073 166269961 /nfs/dbraw/zinc/26/99/61/166269961.db2.gz BBIMVDBPSHGIRG-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP COc1ncc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000367432753 168224152 /nfs/dbraw/zinc/22/41/52/168224152.db2.gz WCFZVOUZSQPCTK-ZDUSSCGKSA-N 2 2 346.862 3.458 10 0 EGAELP Brc1cscc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000367526347 168237083 /nfs/dbraw/zinc/23/70/83/168237083.db2.gz VYYFGMFKJPVOAR-UHFFFAOYSA-N 2 2 349.257 3.381 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195287440 266172572 /nfs/dbraw/zinc/17/25/72/266172572.db2.gz VSXZTEBCIFQNOS-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195287440 266172575 /nfs/dbraw/zinc/17/25/75/266172575.db2.gz VSXZTEBCIFQNOS-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000195287440 266172577 /nfs/dbraw/zinc/17/25/77/266172577.db2.gz VSXZTEBCIFQNOS-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000195287440 266172579 /nfs/dbraw/zinc/17/25/79/266172579.db2.gz VSXZTEBCIFQNOS-MRXNPFEDSA-N 2 2 330.863 3.084 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000274700894 267274132 /nfs/dbraw/zinc/27/41/32/267274132.db2.gz XVKYJTYUSZJNTF-QRQLOZEOSA-N 2 2 328.456 3.203 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000274700894 267274135 /nfs/dbraw/zinc/27/41/35/267274135.db2.gz XVKYJTYUSZJNTF-QRQLOZEOSA-N 2 2 328.456 3.203 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000287943113 276171161 /nfs/dbraw/zinc/17/11/61/276171161.db2.gz XOTNCHHDEQMYHQ-APWZRJJASA-N 2 2 325.456 3.090 10 0 EGAELP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287943113 276171162 /nfs/dbraw/zinc/17/11/62/276171162.db2.gz XOTNCHHDEQMYHQ-APWZRJJASA-N 2 2 325.456 3.090 10 0 EGAELP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311898 277615272 /nfs/dbraw/zinc/61/52/72/277615272.db2.gz HRMVAHFNSBBABY-OAHLLOKOSA-N 3 2 343.506 3.349 10 0 EGAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787965 279171889 /nfs/dbraw/zinc/17/18/89/279171889.db2.gz WPKVRVIGFAXMTE-IFXJQAMLSA-N 2 2 341.434 3.079 10 0 EGAELP OC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414347060 309074373 /nfs/dbraw/zinc/07/43/73/309074373.db2.gz VKTFZLAEGJPOEM-MAUKXSAKSA-N 2 2 336.907 3.445 10 0 EGAELP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000414363763 309075287 /nfs/dbraw/zinc/07/52/87/309075287.db2.gz WYLLGRDBCRLRQK-MOPGFXCFSA-N 2 2 342.487 3.274 10 0 EGAELP CSCc1cnc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000293702520 308154305 /nfs/dbraw/zinc/15/43/05/308154305.db2.gz XGOJATXJRRWGHD-UHFFFAOYSA-N 2 2 339.505 3.497 10 0 EGAELP [NH3+]C1(C[NH2+]Cc2cccc(O)c2Br)CCCCCC1 ZINC000414857279 309105937 /nfs/dbraw/zinc/10/59/37/309105937.db2.gz CKIGDHHKZNPZDK-UHFFFAOYSA-N 2 2 327.266 3.296 10 0 EGAELP C[C@H]1CN(c2ccccc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000297669536 308555041 /nfs/dbraw/zinc/55/50/41/308555041.db2.gz KAJPIBZTAGGSOH-INIZCTEOSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414826528 309104065 /nfs/dbraw/zinc/10/40/65/309104065.db2.gz FPMNMYZUYARVID-WMZOPIPTSA-N 2 2 325.456 3.310 10 0 EGAELP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Br ZINC000414828327 309104128 /nfs/dbraw/zinc/10/41/28/309104128.db2.gz IQNLFRNQHRPKHH-HNNXBMFYSA-N 2 2 335.245 3.247 10 0 EGAELP Cc1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302444618 308737384 /nfs/dbraw/zinc/73/73/84/308737384.db2.gz MPSBTGVNABXOCE-UHFFFAOYSA-N 2 2 346.272 3.475 10 0 EGAELP Brc1ccc2c(cc[nH+]c2N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000413254497 309023743 /nfs/dbraw/zinc/02/37/43/309023743.db2.gz YPBPBUWATZJBBR-CYBMUJFWSA-N 2 2 343.228 3.043 10 0 EGAELP [NH3+]CC[N@H+](CCO)Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414909799 309108583 /nfs/dbraw/zinc/10/85/83/309108583.db2.gz GQSHULGLRUBHPS-UHFFFAOYSA-N 2 2 344.402 3.187 10 0 EGAELP [NH3+]CC[N@@H+](CCO)Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414909799 309108584 /nfs/dbraw/zinc/10/85/84/309108584.db2.gz GQSHULGLRUBHPS-UHFFFAOYSA-N 2 2 344.402 3.187 10 0 EGAELP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OCc1cccs1 ZINC000414931232 309109822 /nfs/dbraw/zinc/10/98/22/309109822.db2.gz PTRVSDULPQIJAR-RHSMWYFYSA-N 2 2 346.496 3.423 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414939130 309110303 /nfs/dbraw/zinc/11/03/03/309110303.db2.gz WRNUVRPVYAZHCN-SWLSCSKDSA-N 2 2 326.868 3.225 10 0 EGAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000415016701 309114359 /nfs/dbraw/zinc/11/43/59/309114359.db2.gz ONSABCWLNAJICD-UWVGGRQHSA-N 2 2 340.290 3.398 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000419286697 309263167 /nfs/dbraw/zinc/26/31/67/309263167.db2.gz FUPNSCDHSJDNDY-CQSZACIVSA-N 2 2 333.451 3.068 10 0 EGAELP Fc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000422563011 309361631 /nfs/dbraw/zinc/36/16/31/309361631.db2.gz RQSJXNKAQXPMFA-UHFFFAOYSA-N 2 2 332.341 3.095 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422751369 309366482 /nfs/dbraw/zinc/36/64/82/309366482.db2.gz FWFXMMQYFRNZBZ-PMACEKPBSA-N 2 2 326.440 3.157 10 0 EGAELP CC[NH+](CC)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795616 309368911 /nfs/dbraw/zinc/36/89/11/309368911.db2.gz HXHVQIJFWPNDIH-YWZLYKJASA-N 2 2 342.487 3.236 10 0 EGAELP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000422795616 309368912 /nfs/dbraw/zinc/36/89/12/309368912.db2.gz HXHVQIJFWPNDIH-YWZLYKJASA-N 2 2 342.487 3.236 10 0 EGAELP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1c[nH+]ccc1N ZINC000422971201 309378914 /nfs/dbraw/zinc/37/89/14/309378914.db2.gz IGTUEPZTBIIZBL-AWEZNQCLSA-N 2 2 326.444 3.451 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423035894 309382156 /nfs/dbraw/zinc/38/21/56/309382156.db2.gz SIUDUAJMICULAL-YKCBXCCJSA-N 2 2 332.488 3.283 10 0 EGAELP COc1ccc([C@H]([NH2+]CC[C@@H]2CCO[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423035892 309382263 /nfs/dbraw/zinc/38/22/63/309382263.db2.gz SIUDUAJMICULAL-JSJNYSNDSA-N 2 2 332.488 3.283 10 0 EGAELP CC[C@@H]([NH2+]Cc1ccc(Br)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000423057808 309383650 /nfs/dbraw/zinc/38/36/50/309383650.db2.gz AVMCRIDMDWWQPU-KGLIPLIRSA-N 2 2 327.266 3.078 10 0 EGAELP CSc1ccc([C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423148528 309388298 /nfs/dbraw/zinc/38/82/98/309388298.db2.gz VTRUICSJRBMZEE-SCLBCKFNSA-N 2 2 330.501 3.170 10 0 EGAELP CSc1ccc([C@@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423148528 309388299 /nfs/dbraw/zinc/38/82/99/309388299.db2.gz VTRUICSJRBMZEE-SCLBCKFNSA-N 2 2 330.501 3.170 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCOCC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161559 309388883 /nfs/dbraw/zinc/38/88/83/309388883.db2.gz JCUZMQZWIVNRKL-WOJBJXKFSA-N 2 2 332.488 3.285 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161556 309388894 /nfs/dbraw/zinc/38/88/94/309388894.db2.gz JCUZMQZWIVNRKL-PMACEKPBSA-N 2 2 332.488 3.285 10 0 EGAELP COc1cccc2c1CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C2 ZINC000425936622 309495105 /nfs/dbraw/zinc/49/51/05/309495105.db2.gz NLGSDJOWEZTAIH-UXHICEINSA-N 2 2 338.495 3.315 10 0 EGAELP CCCn1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000449350680 310056041 /nfs/dbraw/zinc/05/60/41/310056041.db2.gz LGWFDEWFWIKGED-UHFFFAOYSA-N 2 2 329.835 3.422 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449386523 310057965 /nfs/dbraw/zinc/05/79/65/310057965.db2.gz ITQHNOXYRAXCSD-QXAKKESOSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449386523 310057966 /nfs/dbraw/zinc/05/79/66/310057966.db2.gz ITQHNOXYRAXCSD-QXAKKESOSA-N 2 2 336.907 3.413 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449398453 310058815 /nfs/dbraw/zinc/05/88/15/310058815.db2.gz UZUWIYLQPNZFIW-ZFWWWQNUSA-N 2 2 326.481 3.045 10 0 EGAELP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000449398453 310058816 /nfs/dbraw/zinc/05/88/16/310058816.db2.gz UZUWIYLQPNZFIW-ZFWWWQNUSA-N 2 2 326.481 3.045 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449398452 310058891 /nfs/dbraw/zinc/05/88/91/310058891.db2.gz UZUWIYLQPNZFIW-UKRRQHHQSA-N 2 2 326.481 3.045 10 0 EGAELP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1F ZINC000449398452 310058892 /nfs/dbraw/zinc/05/88/92/310058892.db2.gz UZUWIYLQPNZFIW-UKRRQHHQSA-N 2 2 326.481 3.045 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419324 310060341 /nfs/dbraw/zinc/06/03/41/310060341.db2.gz HIFGSRGOFVNJAR-WOJBJXKFSA-N 2 2 328.431 3.123 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419324 310060342 /nfs/dbraw/zinc/06/03/42/310060342.db2.gz HIFGSRGOFVNJAR-WOJBJXKFSA-N 2 2 328.431 3.123 10 0 EGAELP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452356021 310224656 /nfs/dbraw/zinc/22/46/56/310224656.db2.gz PANXMVMMFIGVRM-KRWDZBQOSA-N 2 2 326.444 3.114 10 0 EGAELP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452356021 310224657 /nfs/dbraw/zinc/22/46/57/310224657.db2.gz PANXMVMMFIGVRM-KRWDZBQOSA-N 2 2 326.444 3.114 10 0 EGAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452789867 310241937 /nfs/dbraw/zinc/24/19/37/310241937.db2.gz DIGHMHKPDKZMAR-ZIAGYGMSSA-N 2 2 326.444 3.112 10 0 EGAELP COC1([C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000453243225 310266288 /nfs/dbraw/zinc/26/62/88/310266288.db2.gz YSIHJQTWMYBUJI-AWEZNQCLSA-N 2 2 349.862 3.199 10 0 EGAELP COCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332936 310271530 /nfs/dbraw/zinc/27/15/30/310271530.db2.gz CVECDPXASQVTQN-VBNZEHGJSA-N 2 2 330.394 3.323 10 0 EGAELP COCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000453332936 310271531 /nfs/dbraw/zinc/27/15/31/310271531.db2.gz CVECDPXASQVTQN-VBNZEHGJSA-N 2 2 330.394 3.323 10 0 EGAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)Cc2ccccc2C1 ZINC000466342452 310650164 /nfs/dbraw/zinc/65/01/64/310650164.db2.gz DMUPKJKLWNVEGM-DZFGPLHGSA-N 2 2 342.527 3.271 10 0 EGAELP FC(F)Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000514798562 312246169 /nfs/dbraw/zinc/24/61/69/312246169.db2.gz NGDAMOGYODKKDH-UHFFFAOYSA-N 2 2 349.219 3.236 10 0 EGAELP C[N@H+](Cc1cc(CO)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528415784 313088887 /nfs/dbraw/zinc/08/88/87/313088887.db2.gz IRILNHSGHLUINL-UHFFFAOYSA-N 2 2 342.458 3.414 10 0 EGAELP C[N@@H+](Cc1cc(CO)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528415784 313088891 /nfs/dbraw/zinc/08/88/91/313088891.db2.gz IRILNHSGHLUINL-UHFFFAOYSA-N 2 2 342.458 3.414 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553873 313353962 /nfs/dbraw/zinc/35/39/62/313353962.db2.gz JAAHXYCJDAVLSB-MAUKXSAKSA-N 2 2 338.442 3.301 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(F)(F)C1 ZINC000529553873 313353966 /nfs/dbraw/zinc/35/39/66/313353966.db2.gz JAAHXYCJDAVLSB-MAUKXSAKSA-N 2 2 338.442 3.301 10 0 EGAELP CC1(C)Cc2cc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)ccc2O1 ZINC000529661805 313380267 /nfs/dbraw/zinc/38/02/67/313380267.db2.gz CGUCJSFHBVSPQN-UHFFFAOYSA-N 2 2 344.499 3.087 10 0 EGAELP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529665212 313380675 /nfs/dbraw/zinc/38/06/75/313380675.db2.gz VENMRDXIFZTVKD-QGZVFWFLSA-N 2 2 334.479 3.334 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213615 313498051 /nfs/dbraw/zinc/49/80/51/313498051.db2.gz AVVVMGXLKHLLHZ-ZIAGYGMSSA-N 2 2 339.252 3.450 10 0 EGAELP Cc1nn2c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c(C(C)C)nc2s1 ZINC000535821330 314077604 /nfs/dbraw/zinc/07/76/04/314077604.db2.gz ZNZGHNALBQKMJY-UHFFFAOYSA-N 2 2 344.488 3.325 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085533 314362533 /nfs/dbraw/zinc/36/25/33/314362533.db2.gz VHFPCJHGLQLAFS-ACJLOTCBSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085533 314362535 /nfs/dbraw/zinc/36/25/35/314362535.db2.gz VHFPCJHGLQLAFS-ACJLOTCBSA-N 2 2 329.419 3.096 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936601 315111638 /nfs/dbraw/zinc/11/16/38/315111638.db2.gz NCOUYANSRUQBIG-YGRLFVJLSA-N 2 2 331.685 3.185 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000549936601 315111639 /nfs/dbraw/zinc/11/16/39/315111639.db2.gz NCOUYANSRUQBIG-YGRLFVJLSA-N 2 2 331.685 3.185 10 0 EGAELP c1[nH+]c2n(c1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)CCCC2 ZINC000551571641 315159365 /nfs/dbraw/zinc/15/93/65/315159365.db2.gz OJWNIUDLKWDUMG-VQIMIIECSA-N 2 2 325.456 3.477 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCc4ccccc4C3)c2cc1C ZINC000552911452 315237109 /nfs/dbraw/zinc/23/71/09/315237109.db2.gz AWOJISJGRNJHBV-UXHICEINSA-N 2 2 349.478 3.161 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000555586175 315392261 /nfs/dbraw/zinc/39/22/61/315392261.db2.gz HSWFVYUHESSCPX-OLZOCXBDSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1cccc2c1C[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000555586175 315392264 /nfs/dbraw/zinc/39/22/64/315392264.db2.gz HSWFVYUHESSCPX-OLZOCXBDSA-N 2 2 346.272 3.177 10 0 EGAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000565468219 316328052 /nfs/dbraw/zinc/32/80/52/316328052.db2.gz FWARIBOZNPKCQL-ZACQAIPSSA-N 2 2 327.476 3.229 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165491 317300785 /nfs/dbraw/zinc/30/07/85/317300785.db2.gz VHKGCPNSSUHDOV-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165491 317300789 /nfs/dbraw/zinc/30/07/89/317300789.db2.gz VHKGCPNSSUHDOV-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165491 317300791 /nfs/dbraw/zinc/30/07/91/317300791.db2.gz VHKGCPNSSUHDOV-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)ncn3)C2)s1 ZINC000572165491 317300793 /nfs/dbraw/zinc/30/07/93/317300793.db2.gz VHKGCPNSSUHDOV-INIZCTEOSA-N 2 2 330.501 3.109 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000574871940 317645213 /nfs/dbraw/zinc/64/52/13/317645213.db2.gz IBCWLTNJLDFKPZ-INIZCTEOSA-N 2 2 327.472 3.072 10 0 EGAELP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@]1(C)CCCO1 ZINC000340377279 456423152 /nfs/dbraw/zinc/42/31/52/456423152.db2.gz JBQYEYCMENQBLV-HOJRLLLISA-N 2 2 334.426 3.339 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCc1noc(C[NH+]2CCC(C)CC2)n1 ZINC000350757889 324118117 /nfs/dbraw/zinc/11/81/17/324118117.db2.gz ROHUVTAONKVDLU-UHFFFAOYSA-N 2 2 339.443 3.202 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012017 325320643 /nfs/dbraw/zinc/32/06/43/325320643.db2.gz OILAZEOATOFCIJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012017 325320645 /nfs/dbraw/zinc/32/06/45/325320645.db2.gz OILAZEOATOFCIJ-RDTXWAMCSA-N 2 2 335.879 3.051 10 0 EGAELP c1c[nH+]c(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)[nH]1 ZINC000583820903 325554706 /nfs/dbraw/zinc/55/47/06/325554706.db2.gz SUSAATMSGMROHG-UHFFFAOYSA-N 2 2 348.450 3.311 10 0 EGAELP C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676194 455224885 /nfs/dbraw/zinc/22/48/85/455224885.db2.gz WCOQWGZDFXAUPN-BBWFWOEESA-N 2 2 340.471 3.027 10 0 EGAELP CC(C)(C)c1csc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170191 455243234 /nfs/dbraw/zinc/24/32/34/455243234.db2.gz HKEIHWSDOHXJCZ-AWEZNQCLSA-N 2 2 334.489 3.101 10 0 EGAELP CC(C)(C)c1csc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170191 455243238 /nfs/dbraw/zinc/24/32/38/455243238.db2.gz HKEIHWSDOHXJCZ-AWEZNQCLSA-N 2 2 334.489 3.101 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476809 459095234 /nfs/dbraw/zinc/09/52/34/459095234.db2.gz PGCLWBXVLQCULL-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000532476809 459095238 /nfs/dbraw/zinc/09/52/38/459095238.db2.gz PGCLWBXVLQCULL-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000190472616 455327533 /nfs/dbraw/zinc/32/75/33/455327533.db2.gz TUOLOWCMGGIQKS-LJQANCHMSA-N 2 2 349.478 3.311 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000190472616 455327528 /nfs/dbraw/zinc/32/75/28/455327528.db2.gz TUOLOWCMGGIQKS-LJQANCHMSA-N 2 2 349.478 3.311 10 0 EGAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000600712287 460575233 /nfs/dbraw/zinc/57/52/33/460575233.db2.gz WOQUYUIZCMMJFD-SQNIBIBYSA-N 2 2 328.456 3.042 10 0 EGAELP C[C@@H]1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573546 455334275 /nfs/dbraw/zinc/33/42/75/455334275.db2.gz HEESNEORVWWPMF-TZMCWYRMSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573546 455334276 /nfs/dbraw/zinc/33/42/76/455334276.db2.gz HEESNEORVWWPMF-TZMCWYRMSA-N 2 2 329.429 3.078 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245573546 455334279 /nfs/dbraw/zinc/33/42/79/455334279.db2.gz HEESNEORVWWPMF-TZMCWYRMSA-N 2 2 329.429 3.078 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631890242 460589385 /nfs/dbraw/zinc/58/93/85/460589385.db2.gz QFQGRVMMAYNKSZ-WMLDXEAASA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631890242 460589390 /nfs/dbraw/zinc/58/93/90/460589390.db2.gz QFQGRVMMAYNKSZ-WMLDXEAASA-N 2 2 343.496 3.393 10 0 EGAELP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631888903 460589776 /nfs/dbraw/zinc/58/97/76/460589776.db2.gz CWNYMSPTOIFQRH-YJBOKZPZSA-N 2 2 343.496 3.393 10 0 EGAELP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631888903 460589783 /nfs/dbraw/zinc/58/97/83/460589783.db2.gz CWNYMSPTOIFQRH-YJBOKZPZSA-N 2 2 343.496 3.393 10 0 EGAELP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623559541 460612204 /nfs/dbraw/zinc/61/22/04/460612204.db2.gz FPDLCJZNKBHGPF-ZWKOTPCHSA-N 2 2 326.488 3.166 10 0 EGAELP Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559541 460612210 /nfs/dbraw/zinc/61/22/10/460612210.db2.gz FPDLCJZNKBHGPF-ZWKOTPCHSA-N 2 2 326.488 3.166 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094250 453969124 /nfs/dbraw/zinc/96/91/24/453969124.db2.gz LTKHSFUVWAXUPY-MRXNPFEDSA-N 2 2 335.517 3.234 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094250 453969128 /nfs/dbraw/zinc/96/91/28/453969128.db2.gz LTKHSFUVWAXUPY-MRXNPFEDSA-N 2 2 335.517 3.234 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094250 453969130 /nfs/dbraw/zinc/96/91/30/453969130.db2.gz LTKHSFUVWAXUPY-MRXNPFEDSA-N 2 2 335.517 3.234 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084094250 453969133 /nfs/dbraw/zinc/96/91/33/453969133.db2.gz LTKHSFUVWAXUPY-MRXNPFEDSA-N 2 2 335.517 3.234 10 0 EGAELP c1cc2c(nc[nH+]c2N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)[nH]1 ZINC000077301905 454087940 /nfs/dbraw/zinc/08/79/40/454087940.db2.gz RPZIWOSSUQDYLZ-ZDUSSCGKSA-N 2 2 332.411 3.293 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444793 454106738 /nfs/dbraw/zinc/10/67/38/454106738.db2.gz SATUFFZCFPOVSW-OAHLLOKOSA-N 2 2 341.459 3.083 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444793 454106743 /nfs/dbraw/zinc/10/67/43/454106743.db2.gz SATUFFZCFPOVSW-OAHLLOKOSA-N 2 2 341.459 3.083 10 0 EGAELP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000069705990 454135372 /nfs/dbraw/zinc/13/53/72/454135372.db2.gz BNGMMZHJTADOKZ-OALUTQOASA-N 2 2 340.471 3.048 10 0 EGAELP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1ccccc1 ZINC000069705990 454135375 /nfs/dbraw/zinc/13/53/75/454135375.db2.gz BNGMMZHJTADOKZ-OALUTQOASA-N 2 2 340.471 3.048 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089591514 454164246 /nfs/dbraw/zinc/16/42/46/454164246.db2.gz FRLGLHDPDWVQSW-YLJYHZDGSA-N 2 2 343.515 3.078 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089591514 454164250 /nfs/dbraw/zinc/16/42/50/454164250.db2.gz FRLGLHDPDWVQSW-YLJYHZDGSA-N 2 2 343.515 3.078 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058309957 454184408 /nfs/dbraw/zinc/18/44/08/454184408.db2.gz JUMYAXXVMKZHET-MRXNPFEDSA-N 2 2 340.471 3.095 10 0 EGAELP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000058309957 454184412 /nfs/dbraw/zinc/18/44/12/454184412.db2.gz JUMYAXXVMKZHET-MRXNPFEDSA-N 2 2 340.471 3.095 10 0 EGAELP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000078402465 454248363 /nfs/dbraw/zinc/24/83/63/454248363.db2.gz QOWTUKHYAJALQZ-IBGZPJMESA-N 2 2 337.552 3.223 10 0 EGAELP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000078402465 454248372 /nfs/dbraw/zinc/24/83/72/454248372.db2.gz QOWTUKHYAJALQZ-IBGZPJMESA-N 2 2 337.552 3.223 10 0 EGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000120316446 454285800 /nfs/dbraw/zinc/28/58/00/454285800.db2.gz RDUNBRGSXLGMRB-ZIAGYGMSSA-N 2 2 340.899 3.018 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000097115676 454413081 /nfs/dbraw/zinc/41/30/81/454413081.db2.gz VUMULXAQPOPDEW-UHFFFAOYSA-N 2 2 339.487 3.213 10 0 EGAELP CN(C)c1cc[nH+]c(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 ZINC000091483337 454441323 /nfs/dbraw/zinc/44/13/23/454441323.db2.gz ZDPGJVUTAOKJHD-INIZCTEOSA-N 2 2 348.454 3.317 10 0 EGAELP Cc1cc(C)c(C[S@@](=O)Cc2cn3c(cccc3C)[nH+]2)c(C)[nH+]1 ZINC000600909702 460639923 /nfs/dbraw/zinc/63/99/23/460639923.db2.gz OLUTTYCESCTXFK-QHCPKHFHSA-N 2 2 327.453 3.412 10 0 EGAELP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000134534812 454557489 /nfs/dbraw/zinc/55/74/89/454557489.db2.gz XUZAGLBHQUPVKQ-UHFFFAOYSA-N 2 2 338.293 3.152 10 0 EGAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1[nH]c2ccccc2[nH+]1 ZINC000134956954 454616564 /nfs/dbraw/zinc/61/65/64/454616564.db2.gz QSCFOHBBDCHBCW-INIZCTEOSA-N 2 2 342.468 3.134 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000105875986 454661493 /nfs/dbraw/zinc/66/14/93/454661493.db2.gz ZPIJCXQZRQQYHK-UHFFFAOYSA-N 2 2 343.862 3.176 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000105896422 454666574 /nfs/dbraw/zinc/66/65/74/454666574.db2.gz SWFNOBMZXQTUQK-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000105896422 454666576 /nfs/dbraw/zinc/66/65/76/454666576.db2.gz SWFNOBMZXQTUQK-KRWDZBQOSA-N 2 2 340.471 3.338 10 0 EGAELP Cc1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc2ccccc12 ZINC000123858080 454682669 /nfs/dbraw/zinc/68/26/69/454682669.db2.gz MFEVKZRTSDPYSB-INIZCTEOSA-N 2 2 335.455 3.126 10 0 EGAELP Cc1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc2ccccc12 ZINC000123858080 454682676 /nfs/dbraw/zinc/68/26/76/454682676.db2.gz MFEVKZRTSDPYSB-INIZCTEOSA-N 2 2 335.455 3.126 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000093146793 454688258 /nfs/dbraw/zinc/68/82/58/454688258.db2.gz BZMBOXYMGAXYQO-GOSISDBHSA-N 2 2 345.462 3.174 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000093146793 454688261 /nfs/dbraw/zinc/68/82/61/454688261.db2.gz BZMBOXYMGAXYQO-GOSISDBHSA-N 2 2 345.462 3.174 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093148442 454689291 /nfs/dbraw/zinc/68/92/91/454689291.db2.gz UCQWSKQBHPPNNQ-FQEVSTJZSA-N 2 2 346.563 3.136 10 0 EGAELP CC(C)CCn1cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093148442 454689292 /nfs/dbraw/zinc/68/92/92/454689292.db2.gz UCQWSKQBHPPNNQ-FQEVSTJZSA-N 2 2 346.563 3.136 10 0 EGAELP COc1ccccc1C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124344842 454721126 /nfs/dbraw/zinc/72/11/26/454721126.db2.gz KTPXDGUOOZPJDJ-MRXNPFEDSA-N 2 2 325.456 3.280 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638931 454725176 /nfs/dbraw/zinc/72/51/76/454725176.db2.gz XQVFRUQAKFDSLI-DNVCBOLYSA-N 2 2 327.472 3.406 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638931 454725181 /nfs/dbraw/zinc/72/51/81/454725181.db2.gz XQVFRUQAKFDSLI-DNVCBOLYSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638931 454725184 /nfs/dbraw/zinc/72/51/84/454725184.db2.gz XQVFRUQAKFDSLI-DNVCBOLYSA-N 2 2 327.472 3.406 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3nc2OC)[C@H](C)C1 ZINC000093638931 454725188 /nfs/dbraw/zinc/72/51/88/454725188.db2.gz XQVFRUQAKFDSLI-DNVCBOLYSA-N 2 2 327.472 3.406 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000152981999 454749524 /nfs/dbraw/zinc/74/95/24/454749524.db2.gz ORWRBKIUAQTITA-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000152981999 454749527 /nfs/dbraw/zinc/74/95/27/454749527.db2.gz ORWRBKIUAQTITA-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000152981999 454749532 /nfs/dbraw/zinc/74/95/32/454749532.db2.gz ORWRBKIUAQTITA-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000152981999 454749534 /nfs/dbraw/zinc/74/95/34/454749534.db2.gz ORWRBKIUAQTITA-GIVPXCGWSA-N 3 2 329.532 3.361 10 0 EGAELP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000162721683 454796554 /nfs/dbraw/zinc/79/65/54/454796554.db2.gz BJQFCFNFQWKCIZ-UHFFFAOYSA-N 2 2 339.487 3.405 10 0 EGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057909 454817229 /nfs/dbraw/zinc/81/72/29/454817229.db2.gz SIPUTTMSXWGDHC-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057909 454817233 /nfs/dbraw/zinc/81/72/33/454817233.db2.gz SIPUTTMSXWGDHC-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057909 454817237 /nfs/dbraw/zinc/81/72/37/454817237.db2.gz SIPUTTMSXWGDHC-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000177057909 454817240 /nfs/dbraw/zinc/81/72/40/454817240.db2.gz SIPUTTMSXWGDHC-JSGCOSHPSA-N 2 2 328.403 3.211 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000163410501 454845601 /nfs/dbraw/zinc/84/56/01/454845601.db2.gz JONOLHZYHKFGCH-GDBMZVCRSA-N 2 2 338.517 3.179 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000163410501 454845605 /nfs/dbraw/zinc/84/56/05/454845605.db2.gz JONOLHZYHKFGCH-GDBMZVCRSA-N 2 2 338.517 3.179 10 0 EGAELP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151264271 454960531 /nfs/dbraw/zinc/96/05/31/454960531.db2.gz PDFMJEXARJJRPU-UKRRQHHQSA-N 2 2 325.522 3.072 10 0 EGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151269418 454961482 /nfs/dbraw/zinc/96/14/82/454961482.db2.gz KAAYJEQFMDYOOH-CABCVRRESA-N 2 2 342.430 3.094 10 0 EGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2CSCCc3ccccc32)c[nH+]1 ZINC000151531780 454998047 /nfs/dbraw/zinc/99/80/47/454998047.db2.gz FUERTPLAAKBORI-GOSISDBHSA-N 2 2 336.464 3.388 10 0 EGAELP COC[C@@H](Cc1ccccc1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128879049 455089032 /nfs/dbraw/zinc/08/90/32/455089032.db2.gz AQKBWNLCHBDXIC-NHCUHLMSSA-N 2 2 326.484 3.007 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438103 455119873 /nfs/dbraw/zinc/11/98/73/455119873.db2.gz DFOOBDVBCXADJF-FGTMMUONSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152438103 455119874 /nfs/dbraw/zinc/11/98/74/455119874.db2.gz DFOOBDVBCXADJF-FGTMMUONSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152438103 455119876 /nfs/dbraw/zinc/11/98/76/455119876.db2.gz DFOOBDVBCXADJF-FGTMMUONSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152438103 455119878 /nfs/dbraw/zinc/11/98/78/455119878.db2.gz DFOOBDVBCXADJF-FGTMMUONSA-N 2 2 343.515 3.016 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160487 455141890 /nfs/dbraw/zinc/14/18/90/455141890.db2.gz IQBNEOWUVRWBKG-SLOSICTCSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000180160487 455141892 /nfs/dbraw/zinc/14/18/92/455141892.db2.gz IQBNEOWUVRWBKG-SLOSICTCSA-N 2 2 339.527 3.397 10 0 EGAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCC[NH+]2CCCC2)C3)cc1 ZINC000180173424 455144370 /nfs/dbraw/zinc/14/43/70/455144370.db2.gz WQRFWJYYXZJCOT-SEJPIABJSA-N 3 2 327.516 3.258 10 0 EGAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCC[NH+]2CCCC2)C3)cc1 ZINC000180173424 455144372 /nfs/dbraw/zinc/14/43/72/455144372.db2.gz WQRFWJYYXZJCOT-SEJPIABJSA-N 3 2 327.516 3.258 10 0 EGAELP C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180646114 455217306 /nfs/dbraw/zinc/21/73/06/455217306.db2.gz OMNGXUFSJQYOGM-CYBMUJFWSA-N 2 2 335.367 3.366 10 0 EGAELP COC(=O)c1oc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000180652583 455218725 /nfs/dbraw/zinc/21/87/25/455218725.db2.gz HSGKIECYPSGOKE-CQSZACIVSA-N 2 2 339.395 3.411 10 0 EGAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245201141 455280554 /nfs/dbraw/zinc/28/05/54/455280554.db2.gz OUDMKWLHLGRLRE-QRQLOZEOSA-N 2 2 339.439 3.178 10 0 EGAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245201141 455280558 /nfs/dbraw/zinc/28/05/58/455280558.db2.gz OUDMKWLHLGRLRE-QRQLOZEOSA-N 2 2 339.439 3.178 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000245426856 455295771 /nfs/dbraw/zinc/29/57/71/455295771.db2.gz LPSWISBNOMWCNV-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000245426856 455295775 /nfs/dbraw/zinc/29/57/75/455295775.db2.gz LPSWISBNOMWCNV-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000245426856 455295778 /nfs/dbraw/zinc/29/57/78/455295778.db2.gz LPSWISBNOMWCNV-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000245426856 455295780 /nfs/dbraw/zinc/29/57/80/455295780.db2.gz LPSWISBNOMWCNV-YOEHRIQHSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173536326 455302376 /nfs/dbraw/zinc/30/23/76/455302376.db2.gz RIMJYHZSNSXTKW-IEBWSBKVSA-N 2 2 346.519 3.027 10 0 EGAELP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173536326 455302378 /nfs/dbraw/zinc/30/23/78/455302378.db2.gz RIMJYHZSNSXTKW-IEBWSBKVSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173536326 455302383 /nfs/dbraw/zinc/30/23/83/455302383.db2.gz RIMJYHZSNSXTKW-IEBWSBKVSA-N 2 2 346.519 3.027 10 0 EGAELP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173536326 455302385 /nfs/dbraw/zinc/30/23/85/455302385.db2.gz RIMJYHZSNSXTKW-IEBWSBKVSA-N 2 2 346.519 3.027 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458084 455306615 /nfs/dbraw/zinc/30/66/15/455306615.db2.gz USQNDRCHLCYTLE-FHWLQOOXSA-N 2 2 343.515 3.060 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458084 455306618 /nfs/dbraw/zinc/30/66/18/455306618.db2.gz USQNDRCHLCYTLE-FHWLQOOXSA-N 2 2 343.515 3.060 10 0 EGAELP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000245481020 455311888 /nfs/dbraw/zinc/31/18/88/455311888.db2.gz XXCWLCQSNADXSU-KBPBESRZSA-N 2 2 332.473 3.180 10 0 EGAELP CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000245481020 455311892 /nfs/dbraw/zinc/31/18/92/455311892.db2.gz XXCWLCQSNADXSU-KBPBESRZSA-N 2 2 332.473 3.180 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000190472616 455327540 /nfs/dbraw/zinc/32/75/40/455327540.db2.gz TUOLOWCMGGIQKS-LJQANCHMSA-N 2 2 349.478 3.311 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000190472616 455327545 /nfs/dbraw/zinc/32/75/45/455327545.db2.gz TUOLOWCMGGIQKS-LJQANCHMSA-N 2 2 349.478 3.311 10 0 EGAELP CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078060 455438661 /nfs/dbraw/zinc/43/86/61/455438661.db2.gz GCHCVURCWLCELX-INIZCTEOSA-N 2 2 349.500 3.128 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202418 455447115 /nfs/dbraw/zinc/44/71/15/455447115.db2.gz LXPQTFVJRUZLLH-SUMWQHHRSA-N 2 2 346.425 3.271 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202418 455447117 /nfs/dbraw/zinc/44/71/17/455447117.db2.gz LXPQTFVJRUZLLH-SUMWQHHRSA-N 2 2 346.425 3.271 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202418 455447122 /nfs/dbraw/zinc/44/71/22/455447122.db2.gz LXPQTFVJRUZLLH-SUMWQHHRSA-N 2 2 346.425 3.271 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@H]21 ZINC000246202418 455447125 /nfs/dbraw/zinc/44/71/25/455447125.db2.gz LXPQTFVJRUZLLH-SUMWQHHRSA-N 2 2 346.425 3.271 10 0 EGAELP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000246265085 455459918 /nfs/dbraw/zinc/45/99/18/455459918.db2.gz ZJYDQJKVTCJZCT-YOEHRIQHSA-N 2 2 342.405 3.157 10 0 EGAELP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000246265085 455459925 /nfs/dbraw/zinc/45/99/25/455459925.db2.gz ZJYDQJKVTCJZCT-YOEHRIQHSA-N 2 2 342.405 3.157 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246491040 455500483 /nfs/dbraw/zinc/50/04/83/455500483.db2.gz PFFLJKBNIKXQCR-VQIMIIECSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246491040 455500486 /nfs/dbraw/zinc/50/04/86/455500486.db2.gz PFFLJKBNIKXQCR-VQIMIIECSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000246491040 455500488 /nfs/dbraw/zinc/50/04/88/455500488.db2.gz PFFLJKBNIKXQCR-VQIMIIECSA-N 2 2 340.471 3.001 10 0 EGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246491040 455500491 /nfs/dbraw/zinc/50/04/91/455500491.db2.gz PFFLJKBNIKXQCR-VQIMIIECSA-N 2 2 340.471 3.001 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246815879 455527365 /nfs/dbraw/zinc/52/73/65/455527365.db2.gz ADIDFOSDLSCFLK-UGCZWRCOSA-N 2 2 346.519 3.095 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246815879 455527367 /nfs/dbraw/zinc/52/73/67/455527367.db2.gz ADIDFOSDLSCFLK-UGCZWRCOSA-N 2 2 346.519 3.095 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]3c3ccco3)c2cc1C ZINC000247053996 455551939 /nfs/dbraw/zinc/55/19/39/455551939.db2.gz OTMMWRKKZYDWNB-WMZOPIPTSA-N 2 2 339.439 3.444 10 0 EGAELP Cc1ccc2[nH+]ccc(NCc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC000185486816 455564481 /nfs/dbraw/zinc/56/44/81/455564481.db2.gz JIEJXFIOSQTJQD-UHFFFAOYSA-N 2 2 334.423 3.387 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668692 455592584 /nfs/dbraw/zinc/59/25/84/455592584.db2.gz GKOGURGXRVXWIK-UKRRQHHQSA-N 2 2 336.501 3.277 10 0 EGAELP COC(=O)c1sccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668692 455592585 /nfs/dbraw/zinc/59/25/85/455592585.db2.gz GKOGURGXRVXWIK-UKRRQHHQSA-N 2 2 336.501 3.277 10 0 EGAELP COC(=O)C1CCC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000192443836 455617736 /nfs/dbraw/zinc/61/77/36/455617736.db2.gz PRYPUKMVCRVTTN-UQPPLGOBSA-N 2 2 327.428 3.255 10 0 EGAELP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247681958 455636711 /nfs/dbraw/zinc/63/67/11/455636711.db2.gz RUKKTAMTOJMFPM-XJKSGUPXSA-N 2 2 332.835 3.058 10 0 EGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247681958 455636717 /nfs/dbraw/zinc/63/67/17/455636717.db2.gz RUKKTAMTOJMFPM-XJKSGUPXSA-N 2 2 332.835 3.058 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179562 455695210 /nfs/dbraw/zinc/69/52/10/455695210.db2.gz WEBFWCSMOSKKQR-CXAGYDPISA-N 2 2 336.863 3.123 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179562 455695214 /nfs/dbraw/zinc/69/52/14/455695214.db2.gz WEBFWCSMOSKKQR-CXAGYDPISA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179562 455695219 /nfs/dbraw/zinc/69/52/19/455695219.db2.gz WEBFWCSMOSKKQR-CXAGYDPISA-N 2 2 336.863 3.123 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179562 455695220 /nfs/dbraw/zinc/69/52/20/455695220.db2.gz WEBFWCSMOSKKQR-CXAGYDPISA-N 2 2 336.863 3.123 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)n1-c1ccccc1 ZINC000268930642 455734172 /nfs/dbraw/zinc/73/41/72/455734172.db2.gz MASDIHRXILIBDI-GOSISDBHSA-N 2 2 334.423 3.449 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000253430151 455847424 /nfs/dbraw/zinc/84/74/24/455847424.db2.gz XDMYIAYJARPUNM-JXFKEZNVSA-N 2 2 341.503 3.168 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000253430151 455847430 /nfs/dbraw/zinc/84/74/30/455847430.db2.gz XDMYIAYJARPUNM-JXFKEZNVSA-N 2 2 341.503 3.168 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000253430191 455847725 /nfs/dbraw/zinc/84/77/25/455847725.db2.gz XDMYIAYJARPUNM-UZLBHIALSA-N 2 2 341.503 3.168 10 0 EGAELP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000253430191 455847731 /nfs/dbraw/zinc/84/77/31/455847731.db2.gz XDMYIAYJARPUNM-UZLBHIALSA-N 2 2 341.503 3.168 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296420888 455932890 /nfs/dbraw/zinc/93/28/90/455932890.db2.gz MQVHKRIKUKAYQX-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296420888 455932895 /nfs/dbraw/zinc/93/28/95/455932895.db2.gz MQVHKRIKUKAYQX-INIZCTEOSA-N 2 2 340.471 3.149 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296420894 455933918 /nfs/dbraw/zinc/93/39/18/455933918.db2.gz MQVHKRIKUKAYQX-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296420894 455933922 /nfs/dbraw/zinc/93/39/22/455933922.db2.gz MQVHKRIKUKAYQX-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000195515698 455974992 /nfs/dbraw/zinc/97/49/92/455974992.db2.gz LCMNLNQUCPRQMI-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000195515698 455974995 /nfs/dbraw/zinc/97/49/95/455974995.db2.gz LCMNLNQUCPRQMI-KRWDZBQOSA-N 2 2 338.455 3.071 10 0 EGAELP Cn1cc(-c2ccc(C[N@H+](CC[NH3+])CCc3ccccc3)s2)cn1 ZINC000262041171 455988919 /nfs/dbraw/zinc/98/89/19/455988919.db2.gz PERJGDCBRYLREL-UHFFFAOYSA-N 2 2 340.496 3.152 10 0 EGAELP Cn1cc(-c2ccc(C[N@@H+](CC[NH3+])CCc3ccccc3)s2)cn1 ZINC000262041171 455988920 /nfs/dbraw/zinc/98/89/20/455988920.db2.gz PERJGDCBRYLREL-UHFFFAOYSA-N 2 2 340.496 3.152 10 0 EGAELP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000270671549 456011723 /nfs/dbraw/zinc/01/17/23/456011723.db2.gz SHXBOMATMVOWGS-UHFFFAOYSA-N 2 2 334.261 3.402 10 0 EGAELP Cc1[nH+]ccn1CCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000270671549 456011725 /nfs/dbraw/zinc/01/17/25/456011725.db2.gz SHXBOMATMVOWGS-UHFFFAOYSA-N 2 2 334.261 3.402 10 0 EGAELP C[C@H]1CCCN(c2cc(N3CCC(C[NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000301388319 456103883 /nfs/dbraw/zinc/10/38/83/456103883.db2.gz YKSZCIUIICIQPW-KRWDZBQOSA-N 2 2 343.519 3.025 10 0 EGAELP C[C@H]1CCCN(c2cc(N3CCC(C[NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000301388319 456103886 /nfs/dbraw/zinc/10/38/86/456103886.db2.gz YKSZCIUIICIQPW-KRWDZBQOSA-N 2 2 343.519 3.025 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858914 456157765 /nfs/dbraw/zinc/15/77/65/456157765.db2.gz RMMNOFXKMKMBDL-MJGOQNOKSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289858914 456157772 /nfs/dbraw/zinc/15/77/72/456157772.db2.gz RMMNOFXKMKMBDL-MJGOQNOKSA-N 2 2 341.503 3.046 10 0 EGAELP CCc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091067 456284343 /nfs/dbraw/zinc/28/43/43/456284343.db2.gz MCLKSNQAEMFVQR-FUHWJXTLSA-N 2 2 332.398 3.483 10 0 EGAELP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000302091067 456284347 /nfs/dbraw/zinc/28/43/47/456284347.db2.gz MCLKSNQAEMFVQR-FUHWJXTLSA-N 2 2 332.398 3.483 10 0 EGAELP Cc1nc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)cs1 ZINC000275854418 456333078 /nfs/dbraw/zinc/33/30/78/456333078.db2.gz XCBZGWGQVLLHAL-OAHLLOKOSA-N 2 2 348.541 3.395 10 0 EGAELP Cc1nc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)cs1 ZINC000275854418 456333085 /nfs/dbraw/zinc/33/30/85/456333085.db2.gz XCBZGWGQVLLHAL-OAHLLOKOSA-N 2 2 348.541 3.395 10 0 EGAELP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)F)n1 ZINC000281912735 456358624 /nfs/dbraw/zinc/35/86/24/456358624.db2.gz CHRDWQNZYAEMRB-CYBMUJFWSA-N 2 2 349.429 3.270 10 0 EGAELP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C(F)F)n1 ZINC000281912735 456358628 /nfs/dbraw/zinc/35/86/28/456358628.db2.gz CHRDWQNZYAEMRB-CYBMUJFWSA-N 2 2 349.429 3.270 10 0 EGAELP CCn1nccc1CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276280881 456433949 /nfs/dbraw/zinc/43/39/49/456433949.db2.gz FXEUUWHQTSVXRQ-UHFFFAOYSA-N 2 2 341.503 3.079 10 0 EGAELP CCn1nccc1CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276280881 456433955 /nfs/dbraw/zinc/43/39/55/456433955.db2.gz FXEUUWHQTSVXRQ-UHFFFAOYSA-N 2 2 341.503 3.079 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353109925 456494533 /nfs/dbraw/zinc/49/45/33/456494533.db2.gz HOEBXTXQCLSTHF-KRWDZBQOSA-N 2 2 337.423 3.183 10 0 EGAELP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000353109925 456494540 /nfs/dbraw/zinc/49/45/40/456494540.db2.gz HOEBXTXQCLSTHF-KRWDZBQOSA-N 2 2 337.423 3.183 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337746925 456520985 /nfs/dbraw/zinc/52/09/85/456520985.db2.gz XIOWUFLTNFYGIX-HKUYNNGSSA-N 2 2 337.467 3.419 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337746925 456520996 /nfs/dbraw/zinc/52/09/96/456520996.db2.gz XIOWUFLTNFYGIX-HKUYNNGSSA-N 2 2 337.467 3.419 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000353227203 456573300 /nfs/dbraw/zinc/57/33/00/456573300.db2.gz AXQBUQHERPKOPP-SESVDKBCSA-N 2 2 343.515 3.231 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000353258875 456593767 /nfs/dbraw/zinc/59/37/67/456593767.db2.gz RUBNVZGMBVZAOV-IEBWSBKVSA-N 2 2 341.503 3.310 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324585063 456669578 /nfs/dbraw/zinc/66/95/78/456669578.db2.gz BXDRUAFUSKEEPV-SJLPKXTDSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324585063 456669583 /nfs/dbraw/zinc/66/95/83/456669583.db2.gz BXDRUAFUSKEEPV-SJLPKXTDSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)Oc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000340904192 456751115 /nfs/dbraw/zinc/75/11/15/456751115.db2.gz ALTBXFJUJREXNA-GOSISDBHSA-N 2 2 340.471 3.278 10 0 EGAELP COc1ccc(OC)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353579832 456778934 /nfs/dbraw/zinc/77/89/34/456778934.db2.gz XJWSSSFQUYLDJS-UHFFFAOYSA-N 2 2 332.444 3.251 10 0 EGAELP COc1ccc(OC)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353579832 456778944 /nfs/dbraw/zinc/77/89/44/456778944.db2.gz XJWSSSFQUYLDJS-UHFFFAOYSA-N 2 2 332.444 3.251 10 0 EGAELP COc1ccc(OC)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000353579832 456778951 /nfs/dbraw/zinc/77/89/51/456778951.db2.gz XJWSSSFQUYLDJS-UHFFFAOYSA-N 2 2 332.444 3.251 10 0 EGAELP COc1ccc(OC)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000353579832 456778960 /nfs/dbraw/zinc/77/89/60/456778960.db2.gz XJWSSSFQUYLDJS-UHFFFAOYSA-N 2 2 332.444 3.251 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H]2CCC[C@@H]21 ZINC000353615748 456804626 /nfs/dbraw/zinc/80/46/26/456804626.db2.gz AKWFEMDJFSNHSY-PMPSAXMXSA-N 2 2 328.485 3.168 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H]2CCC[C@@H]21 ZINC000353615748 456804634 /nfs/dbraw/zinc/80/46/34/456804634.db2.gz AKWFEMDJFSNHSY-PMPSAXMXSA-N 2 2 328.485 3.168 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144769 456867864 /nfs/dbraw/zinc/86/78/64/456867864.db2.gz MWERSQSMDKKPHS-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292144769 456867867 /nfs/dbraw/zinc/86/78/67/456867867.db2.gz MWERSQSMDKKPHS-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292144769 456867871 /nfs/dbraw/zinc/86/78/71/456867871.db2.gz MWERSQSMDKKPHS-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP Cc1ccc(-c2noc([C@@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000292144769 456867874 /nfs/dbraw/zinc/86/78/74/456867874.db2.gz MWERSQSMDKKPHS-KUHUBIRLSA-N 2 2 344.434 3.273 10 0 EGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000339362056 457067858 /nfs/dbraw/zinc/06/78/58/457067858.db2.gz QKJOLOYGLXLRRX-QGZVFWFLSA-N 2 2 337.552 3.077 10 0 EGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000339362056 457067866 /nfs/dbraw/zinc/06/78/66/457067866.db2.gz QKJOLOYGLXLRRX-QGZVFWFLSA-N 2 2 337.552 3.077 10 0 EGAELP CC(C[NH+]1CCCC[C@]1(C)C(N)=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000330844591 457093308 /nfs/dbraw/zinc/09/33/08/457093308.db2.gz JTXCNEXFIVUWBT-QZTJIDSGSA-N 2 2 338.496 3.182 10 0 EGAELP CC(C[NH+]1CCCC[C@]1(C)C(N)=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000330844591 457093316 /nfs/dbraw/zinc/09/33/16/457093316.db2.gz JTXCNEXFIVUWBT-QZTJIDSGSA-N 2 2 338.496 3.182 10 0 EGAELP C[C@@H]1[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000342299715 457222438 /nfs/dbraw/zinc/22/24/38/457222438.db2.gz BXJWXNLGOXZDDU-DYESRHJHSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@@H]1[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000342299715 457222443 /nfs/dbraw/zinc/22/24/43/457222443.db2.gz BXJWXNLGOXZDDU-DYESRHJHSA-N 2 2 347.466 3.020 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000386140892 457429926 /nfs/dbraw/zinc/42/99/26/457429926.db2.gz NNUXFDNVSOCXHA-LJQANCHMSA-N 2 2 341.503 3.251 10 0 EGAELP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000386140892 457429928 /nfs/dbraw/zinc/42/99/28/457429928.db2.gz NNUXFDNVSOCXHA-LJQANCHMSA-N 2 2 341.503 3.251 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000425320295 457495547 /nfs/dbraw/zinc/49/55/47/457495547.db2.gz CPANXNFQEPRZGL-UHFFFAOYSA-N 2 2 330.451 3.311 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000425320295 457495552 /nfs/dbraw/zinc/49/55/52/457495552.db2.gz CPANXNFQEPRZGL-UHFFFAOYSA-N 2 2 330.451 3.311 10 0 EGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198608 457520091 /nfs/dbraw/zinc/52/00/91/457520091.db2.gz PCWAFSUIGOJHLQ-CYBMUJFWSA-N 2 2 330.407 3.064 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000374201692 457521924 /nfs/dbraw/zinc/52/19/24/457521924.db2.gz XKICSPHJBIQPHQ-CYBMUJFWSA-N 2 2 330.407 3.064 10 0 EGAELP Fc1ccc(N2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)cc1F ZINC000342856729 457559750 /nfs/dbraw/zinc/55/97/50/457559750.db2.gz KACGNIFUFIJFAX-UHFFFAOYSA-N 2 2 342.393 3.325 10 0 EGAELP Fc1ccc(N2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)cc1F ZINC000342856729 457559755 /nfs/dbraw/zinc/55/97/55/457559755.db2.gz KACGNIFUFIJFAX-UHFFFAOYSA-N 2 2 342.393 3.325 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2OC2CCC2)s1 ZINC000352757129 457586231 /nfs/dbraw/zinc/58/62/31/457586231.db2.gz DZGUERCXLMECNF-UHFFFAOYSA-N 2 2 331.485 3.426 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361380950 457712597 /nfs/dbraw/zinc/71/25/97/457712597.db2.gz ZJSGEHRPKYTPSE-FJPDQZSFSA-N 2 2 347.528 3.356 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361380950 457712599 /nfs/dbraw/zinc/71/25/99/457712599.db2.gz ZJSGEHRPKYTPSE-FJPDQZSFSA-N 2 2 347.528 3.356 10 0 EGAELP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OCC(C)C ZINC000358119642 457797991 /nfs/dbraw/zinc/79/79/91/457797991.db2.gz PFOSYFWUSQUWQY-UHFFFAOYSA-N 2 2 332.488 3.472 10 0 EGAELP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OCC(C)C ZINC000358119642 457797999 /nfs/dbraw/zinc/79/79/99/457797999.db2.gz PFOSYFWUSQUWQY-UHFFFAOYSA-N 2 2 332.488 3.472 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549936 457849083 /nfs/dbraw/zinc/84/90/83/457849083.db2.gz DVSBGZFEZOFNDK-KKSFZXQISA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549936 457849087 /nfs/dbraw/zinc/84/90/87/457849087.db2.gz DVSBGZFEZOFNDK-KKSFZXQISA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366549936 457849091 /nfs/dbraw/zinc/84/90/91/457849091.db2.gz DVSBGZFEZOFNDK-KKSFZXQISA-N 2 2 343.515 3.166 10 0 EGAELP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366549936 457849096 /nfs/dbraw/zinc/84/90/96/457849096.db2.gz DVSBGZFEZOFNDK-KKSFZXQISA-N 2 2 343.515 3.166 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000358245600 457883810 /nfs/dbraw/zinc/88/38/10/457883810.db2.gz XRDYPHVSEGLILJ-INIZCTEOSA-N 2 2 342.487 3.273 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000358245600 457883819 /nfs/dbraw/zinc/88/38/19/457883819.db2.gz XRDYPHVSEGLILJ-INIZCTEOSA-N 2 2 342.487 3.273 10 0 EGAELP O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929764 458013403 /nfs/dbraw/zinc/01/34/03/458013403.db2.gz YCHVPHQUHVSWKM-RTWAWAEBSA-N 2 2 333.435 3.239 10 0 EGAELP O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000411929764 458013408 /nfs/dbraw/zinc/01/34/08/458013408.db2.gz YCHVPHQUHVSWKM-RTWAWAEBSA-N 2 2 333.435 3.239 10 0 EGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1cc(Cl)ccc1F ZINC000369345797 458180703 /nfs/dbraw/zinc/18/07/03/458180703.db2.gz SRKAVJRACNMLAJ-UHFFFAOYSA-N 2 2 336.798 3.020 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459390889 458357204 /nfs/dbraw/zinc/35/72/04/458357204.db2.gz UAQQZYIRDVDRTI-ZDUSSCGKSA-N 2 2 349.438 3.405 10 0 EGAELP COCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000459430712 458368317 /nfs/dbraw/zinc/36/83/17/458368317.db2.gz JIIFNBJTONJCDI-ZDUSSCGKSA-N 2 2 326.400 3.166 10 0 EGAELP COCc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)no1 ZINC000459440918 458372442 /nfs/dbraw/zinc/37/24/42/458372442.db2.gz ASNVJXAGZKWZAM-LJQANCHMSA-N 2 2 340.427 3.165 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377769595 458520011 /nfs/dbraw/zinc/52/00/11/458520011.db2.gz ARUDKSQEASBLIV-GFCCVEGCSA-N 2 2 335.835 3.118 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377769595 458520016 /nfs/dbraw/zinc/52/00/16/458520016.db2.gz ARUDKSQEASBLIV-GFCCVEGCSA-N 2 2 335.835 3.118 10 0 EGAELP Cc1cc(NCc2cccnc2-n2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000377992859 458592844 /nfs/dbraw/zinc/59/28/44/458592844.db2.gz BTHVWLZIBMWLEK-UHFFFAOYSA-N 2 2 333.370 3.297 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273483 458600688 /nfs/dbraw/zinc/60/06/88/458600688.db2.gz WZAIKBGVWONWNN-TXVWBRJLSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424273483 458600694 /nfs/dbraw/zinc/60/06/94/458600694.db2.gz WZAIKBGVWONWNN-TXVWBRJLSA-N 2 2 328.500 3.444 10 0 EGAELP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378051799 458612750 /nfs/dbraw/zinc/61/27/50/458612750.db2.gz CCHDYDBVEWNALG-UHFFFAOYSA-N 2 2 326.444 3.099 10 0 EGAELP CN(C)c1ncc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)s1 ZINC000494429503 458674639 /nfs/dbraw/zinc/67/46/39/458674639.db2.gz KGXXODVLGXSLLM-LJQANCHMSA-N 2 2 344.528 3.353 10 0 EGAELP CN(C)c1ncc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)s1 ZINC000494429503 458674645 /nfs/dbraw/zinc/67/46/45/458674645.db2.gz KGXXODVLGXSLLM-LJQANCHMSA-N 2 2 344.528 3.353 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213613 458718605 /nfs/dbraw/zinc/71/86/05/458718605.db2.gz AVVVMGXLKHLLHZ-KGLIPLIRSA-N 2 2 339.252 3.450 10 0 EGAELP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530218789 458721256 /nfs/dbraw/zinc/72/12/56/458721256.db2.gz NGSCVNWBMVNDRQ-SNVBAGLBSA-N 2 2 333.220 3.288 10 0 EGAELP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530218789 458721262 /nfs/dbraw/zinc/72/12/62/458721262.db2.gz NGSCVNWBMVNDRQ-SNVBAGLBSA-N 2 2 333.220 3.288 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231243 458725614 /nfs/dbraw/zinc/72/56/14/458725614.db2.gz HCRYYKMQUMCMPP-CNQIAFTFSA-N 2 2 328.500 3.148 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231243 458725619 /nfs/dbraw/zinc/72/56/19/458725619.db2.gz HCRYYKMQUMCMPP-CNQIAFTFSA-N 2 2 328.500 3.148 10 0 EGAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)Cc1ccccc1 ZINC000474032420 458855540 /nfs/dbraw/zinc/85/55/40/458855540.db2.gz JCFZJKXMOCDORU-UWHLTILDSA-N 2 2 330.516 3.344 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000531427355 458916924 /nfs/dbraw/zinc/91/69/24/458916924.db2.gz HVVRVKLZGIINFH-UHFFFAOYSA-N 2 2 338.411 3.453 10 0 EGAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441370129 458929258 /nfs/dbraw/zinc/92/92/58/458929258.db2.gz GLYWHOCIODIHPD-LNLFQRSKSA-N 2 2 342.487 3.134 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)C(C)C)c(C)c1 ZINC000441388559 458933881 /nfs/dbraw/zinc/93/38/81/458933881.db2.gz SEDCBRAFWSZRTR-HKUYNNGSSA-N 2 2 342.487 3.086 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339182 458970027 /nfs/dbraw/zinc/97/00/27/458970027.db2.gz RHWNWSUREUYHKP-YOEHRIQHSA-N 2 2 344.421 3.337 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467339182 458970029 /nfs/dbraw/zinc/97/00/29/458970029.db2.gz RHWNWSUREUYHKP-YOEHRIQHSA-N 2 2 344.421 3.337 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000519636372 458979433 /nfs/dbraw/zinc/97/94/33/458979433.db2.gz FPTILKLOVKLLRT-AWEZNQCLSA-N 2 2 329.410 3.185 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235626 459052556 /nfs/dbraw/zinc/05/25/56/459052556.db2.gz IBAHQGGKWIDKHL-XPKDYRNWSA-N 2 2 330.394 3.403 10 0 EGAELP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000532235626 459052562 /nfs/dbraw/zinc/05/25/62/459052562.db2.gz IBAHQGGKWIDKHL-XPKDYRNWSA-N 2 2 330.394 3.403 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000594490624 459057722 /nfs/dbraw/zinc/05/77/22/459057722.db2.gz NXKHUMJZBGXCKJ-LJQANCHMSA-N 2 2 349.434 3.331 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488278 459098799 /nfs/dbraw/zinc/09/87/99/459098799.db2.gz LTXGXJZUPVICBD-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488278 459098801 /nfs/dbraw/zinc/09/88/01/459098801.db2.gz LTXGXJZUPVICBD-DOMZBBRYSA-N 2 2 325.294 3.266 10 0 EGAELP COC(=O)c1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(C)o1 ZINC000594602293 459106141 /nfs/dbraw/zinc/10/61/41/459106141.db2.gz XJQFWHGFJINKER-GOSISDBHSA-N 2 2 342.439 3.301 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)n1C ZINC000594944742 459188230 /nfs/dbraw/zinc/18/82/30/459188230.db2.gz BRSGOXFVKNGPQQ-MSOLQXFVSA-N 2 2 341.455 3.388 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000533498795 459244470 /nfs/dbraw/zinc/24/44/70/459244470.db2.gz AUZBRLKDDFZMFW-CQSZACIVSA-N 2 2 345.487 3.321 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591081853 459307495 /nfs/dbraw/zinc/30/74/95/459307495.db2.gz ANKSLAYNCPKHGU-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591081853 459307502 /nfs/dbraw/zinc/30/75/02/459307502.db2.gz ANKSLAYNCPKHGU-HNNXBMFYSA-N 2 2 343.818 3.424 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591082074 459309818 /nfs/dbraw/zinc/30/98/18/459309818.db2.gz CAAHBWKHGPXVJJ-PKOBYXMFSA-N 2 2 340.471 3.014 10 0 EGAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000591082074 459309821 /nfs/dbraw/zinc/30/98/21/459309821.db2.gz CAAHBWKHGPXVJJ-PKOBYXMFSA-N 2 2 340.471 3.014 10 0 EGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000560256273 459316055 /nfs/dbraw/zinc/31/60/55/459316055.db2.gz DEQGHVQRUVAGNI-PXCRPINLSA-N 2 2 346.515 3.483 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccncc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000485976377 459482948 /nfs/dbraw/zinc/48/29/48/459482948.db2.gz JGUNIWTZVTYJMY-MOPGFXCFSA-N 2 2 340.377 3.187 10 0 EGAELP C[N@H+]1CC[C@@H](Nc2cc[nH+]c3ccncc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000485976377 459482952 /nfs/dbraw/zinc/48/29/52/459482952.db2.gz JGUNIWTZVTYJMY-MOPGFXCFSA-N 2 2 340.377 3.187 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)C2 ZINC000569892791 459525931 /nfs/dbraw/zinc/52/59/31/459525931.db2.gz UTMCIOVHJDMFEZ-RHSMWYFYSA-N 2 2 333.439 3.120 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000569892791 459525933 /nfs/dbraw/zinc/52/59/33/459525933.db2.gz UTMCIOVHJDMFEZ-RHSMWYFYSA-N 2 2 333.439 3.120 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573121455 459629890 /nfs/dbraw/zinc/62/98/90/459629890.db2.gz DBRLSXSHIWXTOJ-UNMCSNQZSA-N 2 2 349.478 3.442 10 0 EGAELP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573121455 459629895 /nfs/dbraw/zinc/62/98/95/459629895.db2.gz DBRLSXSHIWXTOJ-UNMCSNQZSA-N 2 2 349.478 3.442 10 0 EGAELP Cc1cccn2c(C[NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)c[nH+]c12 ZINC000563106613 459716815 /nfs/dbraw/zinc/71/68/15/459716815.db2.gz RYTIEPXIQFFFMB-GOEBONIOSA-N 2 2 343.452 3.067 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000563154114 459724291 /nfs/dbraw/zinc/72/42/91/459724291.db2.gz GPAFWYRXHGTMDJ-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000563154114 459724294 /nfs/dbraw/zinc/72/42/94/459724294.db2.gz GPAFWYRXHGTMDJ-GOSISDBHSA-N 2 2 343.858 3.227 10 0 EGAELP Clc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc2c1OCCO2 ZINC000527811212 459746815 /nfs/dbraw/zinc/74/68/15/459746815.db2.gz XHNXBMQNSZCLNX-HNNXBMFYSA-N 2 2 336.863 3.218 10 0 EGAELP Clc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc2c1OCCO2 ZINC000527811212 459746818 /nfs/dbraw/zinc/74/68/18/459746818.db2.gz XHNXBMQNSZCLNX-HNNXBMFYSA-N 2 2 336.863 3.218 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000544408192 459757155 /nfs/dbraw/zinc/75/71/55/459757155.db2.gz DQBHSAUWUIPAHN-AWEZNQCLSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000544408192 459757161 /nfs/dbraw/zinc/75/71/61/459757161.db2.gz DQBHSAUWUIPAHN-AWEZNQCLSA-N 2 2 326.375 3.204 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951031 459779632 /nfs/dbraw/zinc/77/96/32/459779632.db2.gz QCMOYPAFIHYTBD-JXFKEZNVSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951031 459779636 /nfs/dbraw/zinc/77/96/36/459779636.db2.gz QCMOYPAFIHYTBD-JXFKEZNVSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000527951930 459780643 /nfs/dbraw/zinc/78/06/43/459780643.db2.gz RUXPURKSWSFCQK-HOSQHVHZSA-N 2 2 334.529 3.482 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000527951930 459780647 /nfs/dbraw/zinc/78/06/47/459780647.db2.gz RUXPURKSWSFCQK-HOSQHVHZSA-N 2 2 334.529 3.482 10 0 EGAELP C[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000585117768 459826126 /nfs/dbraw/zinc/82/61/26/459826126.db2.gz WCBFYPYQNPQAJT-CZUORRHYSA-N 2 2 335.398 3.024 10 0 EGAELP CN(CC1C[NH+](C)C1)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000618193241 459929143 /nfs/dbraw/zinc/92/91/43/459929143.db2.gz PCUMFXMLIUBKQS-UHFFFAOYSA-N 2 2 345.830 3.161 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629393850 460747988 /nfs/dbraw/zinc/74/79/88/460747988.db2.gz CSQMEGORQQRILA-GXTWGEPZSA-N 2 2 326.868 3.368 10 0 EGAELP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnn1CCc1ccccc1 ZINC000621725588 460030492 /nfs/dbraw/zinc/03/04/92/460030492.db2.gz URZQCJUYEQSOLY-UHFFFAOYSA-N 2 2 326.488 3.044 10 0 EGAELP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnn1CCc1ccccc1 ZINC000621725588 460030494 /nfs/dbraw/zinc/03/04/94/460030494.db2.gz URZQCJUYEQSOLY-UHFFFAOYSA-N 2 2 326.488 3.044 10 0 EGAELP C[N@H+](Cc1ccnn1CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000621727435 460033459 /nfs/dbraw/zinc/03/34/59/460033459.db2.gz CHGJSLBRCXCKQC-PMSBKCLSSA-N 2 2 338.499 3.183 10 0 EGAELP C[N@@H+](Cc1ccnn1CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000621727435 460033463 /nfs/dbraw/zinc/03/34/63/460033463.db2.gz CHGJSLBRCXCKQC-PMSBKCLSSA-N 2 2 338.499 3.183 10 0 EGAELP C[NH+](Cc1ccnn1CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000621727435 460033469 /nfs/dbraw/zinc/03/34/69/460033469.db2.gz CHGJSLBRCXCKQC-PMSBKCLSSA-N 2 2 338.499 3.183 10 0 EGAELP C[NH+](Cc1ccnn1CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000621727435 460033474 /nfs/dbraw/zinc/03/34/74/460033474.db2.gz CHGJSLBRCXCKQC-PMSBKCLSSA-N 2 2 338.499 3.183 10 0 EGAELP Fc1ccccc1-c1nc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000625220048 460076888 /nfs/dbraw/zinc/07/68/88/460076888.db2.gz ZGGBYTFRKSRFGJ-UHFFFAOYSA-N 2 2 338.386 3.198 10 0 EGAELP CC(C)c1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209337 460391570 /nfs/dbraw/zinc/39/15/70/460391570.db2.gz SNWDPVVEQSAIKC-MRXNPFEDSA-N 2 2 344.503 3.100 10 0 EGAELP CC(C)c1ccccc1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209337 460391576 /nfs/dbraw/zinc/39/15/76/460391576.db2.gz SNWDPVVEQSAIKC-MRXNPFEDSA-N 2 2 344.503 3.100 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000619771209 460439010 /nfs/dbraw/zinc/43/90/10/460439010.db2.gz VZEMNUNBBGQLFD-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000619771209 460439013 /nfs/dbraw/zinc/43/90/13/460439013.db2.gz VZEMNUNBBGQLFD-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OCC(F)(F)F ZINC000623361191 460508979 /nfs/dbraw/zinc/50/89/79/460508979.db2.gz QRIOIBOWISRFNQ-KGLIPLIRSA-N 2 2 346.368 3.483 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OCC(F)(F)F ZINC000623361191 460508982 /nfs/dbraw/zinc/50/89/82/460508982.db2.gz QRIOIBOWISRFNQ-KGLIPLIRSA-N 2 2 346.368 3.483 10 0 EGAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)CC1 ZINC000616381797 460542607 /nfs/dbraw/zinc/54/26/07/460542607.db2.gz YYLDCOZNTNRSAY-NRFANRHFSA-N 2 2 347.547 3.142 10 0 EGAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)CC1 ZINC000616381797 460542614 /nfs/dbraw/zinc/54/26/14/460542614.db2.gz YYLDCOZNTNRSAY-NRFANRHFSA-N 2 2 347.547 3.142 10 0 EGAELP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C[NH2+]1 ZINC000629415411 460751612 /nfs/dbraw/zinc/75/16/12/460751612.db2.gz QBUALICLQUTVCB-AAEUAGOBSA-N 2 2 334.261 3.227 10 0 EGAELP CN(C(=O)[C@@H]1CCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959611 460784692 /nfs/dbraw/zinc/78/46/92/460784692.db2.gz LLFNITSBECHYSE-IPMKNSEASA-N 2 2 349.563 3.218 10 0 EGAELP CN(C(=O)[C@@H]1CCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959611 460784698 /nfs/dbraw/zinc/78/46/98/460784698.db2.gz LLFNITSBECHYSE-IPMKNSEASA-N 2 2 349.563 3.218 10 0 EGAELP [NH3+]C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000629512150 460789021 /nfs/dbraw/zinc/78/90/21/460789021.db2.gz PDZOPJUYKFVARO-JTQLQIEISA-N 2 2 343.324 3.280 10 0 EGAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000629512150 460789028 /nfs/dbraw/zinc/78/90/28/460789028.db2.gz PDZOPJUYKFVARO-JTQLQIEISA-N 2 2 343.324 3.280 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000629518148 460791244 /nfs/dbraw/zinc/79/12/44/460791244.db2.gz DQOYBHKYZWMLBG-MAODMQOUSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000629518151 460791363 /nfs/dbraw/zinc/79/13/63/460791363.db2.gz DQOYBHKYZWMLBG-TYCQWZJGSA-N 2 2 349.478 3.114 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000629526362 460796530 /nfs/dbraw/zinc/79/65/30/460796530.db2.gz RHWWTSCKNQSLQI-JCGIZDLHSA-N 2 2 332.492 3.351 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)C[NH2+]1 ZINC000629541822 460800546 /nfs/dbraw/zinc/80/05/46/460800546.db2.gz WUWMJJDFVATLAY-KYOSRNDESA-N 2 2 339.277 3.393 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCC34CC4)c2cc1C ZINC000629620065 460831443 /nfs/dbraw/zinc/83/14/43/460831443.db2.gz ZSNCRXDTEJDDJJ-IAGOWNOFSA-N 2 2 327.472 3.184 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCCC34CC4)c2cc1C ZINC000629620067 460831756 /nfs/dbraw/zinc/83/17/56/460831756.db2.gz ZSNCRXDTEJDDJJ-SJORKVTESA-N 2 2 327.472 3.184 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000629652679 460847288 /nfs/dbraw/zinc/84/72/88/460847288.db2.gz CDJUGGKKYZBXML-VQTJNVASSA-N 2 2 347.466 3.164 10 0 EGAELP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+][C@H]2C)o1 ZINC000629671756 460860158 /nfs/dbraw/zinc/86/01/58/460860158.db2.gz HHOSPFZCODGUGN-MAUKXSAKSA-N 2 2 336.439 3.281 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000608068837 460975633 /nfs/dbraw/zinc/97/56/33/460975633.db2.gz FWGBHFNNOKNYEP-GOSISDBHSA-N 2 2 331.423 3.370 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000608068837 460975639 /nfs/dbraw/zinc/97/56/39/460975639.db2.gz FWGBHFNNOKNYEP-GOSISDBHSA-N 2 2 331.423 3.370 10 0 EGAELP CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624384618 460984563 /nfs/dbraw/zinc/98/45/63/460984563.db2.gz ZAZWATPLHTYWQE-KRWDZBQOSA-N 2 2 337.471 3.282 10 0 EGAELP CC(C)(C)[N@H+]1CC[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624384618 460984570 /nfs/dbraw/zinc/98/45/70/460984570.db2.gz ZAZWATPLHTYWQE-KRWDZBQOSA-N 2 2 337.471 3.282 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182723 461036480 /nfs/dbraw/zinc/03/64/80/461036480.db2.gz FUUMWUQRZACFDI-BBRMVZONSA-N 2 2 340.309 3.315 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182723 461036485 /nfs/dbraw/zinc/03/64/85/461036485.db2.gz FUUMWUQRZACFDI-BBRMVZONSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182723 461036489 /nfs/dbraw/zinc/03/64/89/461036489.db2.gz FUUMWUQRZACFDI-BBRMVZONSA-N 2 2 340.309 3.315 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000628182723 461036493 /nfs/dbraw/zinc/03/64/93/461036493.db2.gz FUUMWUQRZACFDI-BBRMVZONSA-N 2 2 340.309 3.315 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000628237740 461058809 /nfs/dbraw/zinc/05/88/09/461058809.db2.gz XKGLTOMLIOWEKD-IPMKNSEASA-N 2 2 325.456 3.292 10 0 EGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000628237740 461058813 /nfs/dbraw/zinc/05/88/13/461058813.db2.gz XKGLTOMLIOWEKD-IPMKNSEASA-N 2 2 325.456 3.292 10 0 EGAELP c1ccc2c(c1)CN(c1cc[nH+]c(NC[C@H]3CC[N@H+]3C3CCCC3)n1)C2 ZINC000624639773 461077733 /nfs/dbraw/zinc/07/77/33/461077733.db2.gz ZAUFCXSKYHFJKU-LJQANCHMSA-N 2 2 349.482 3.426 10 0 EGAELP CC(C)Oc1cc[nH+]c(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000649495337 461128883 /nfs/dbraw/zinc/12/88/83/461128883.db2.gz NLWJVFRIXJTXAV-UHFFFAOYSA-N 2 2 345.512 3.291 10 0 EGAELP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662257987 461146586 /nfs/dbraw/zinc/14/65/86/461146586.db2.gz RTRKKBUVIQEJKV-HOTGVXAUSA-N 2 2 328.378 3.221 10 0 EGAELP FC(F)(F)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662257987 461146587 /nfs/dbraw/zinc/14/65/87/461146587.db2.gz RTRKKBUVIQEJKV-HOTGVXAUSA-N 2 2 328.378 3.221 10 0 EGAELP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662282209 461165307 /nfs/dbraw/zinc/16/53/07/461165307.db2.gz NUSJWJSWRCLKKT-PKOBYXMFSA-N 2 2 330.859 3.202 10 0 EGAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566489 461178992 /nfs/dbraw/zinc/17/89/92/461178992.db2.gz MCTHDMGRTPJPKQ-JXFKEZNVSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000649566489 461179006 /nfs/dbraw/zinc/17/90/06/461179006.db2.gz MCTHDMGRTPJPKQ-JXFKEZNVSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000649566489 461179015 /nfs/dbraw/zinc/17/90/15/461179015.db2.gz MCTHDMGRTPJPKQ-JXFKEZNVSA-N 2 2 329.488 3.318 10 0 EGAELP CC(C)Oc1ccnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000649566489 461179026 /nfs/dbraw/zinc/17/90/26/461179026.db2.gz MCTHDMGRTPJPKQ-JXFKEZNVSA-N 2 2 329.488 3.318 10 0 EGAELP CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630794279 461320138 /nfs/dbraw/zinc/32/01/38/461320138.db2.gz LMKIUEBJPXLMAB-KRWDZBQOSA-N 2 2 342.487 3.042 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000655743311 461410501 /nfs/dbraw/zinc/41/05/01/461410501.db2.gz FWXTYHVTAJBYQW-MJGOQNOKSA-N 2 2 338.499 3.362 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000655743311 461410509 /nfs/dbraw/zinc/41/05/09/461410509.db2.gz FWXTYHVTAJBYQW-MJGOQNOKSA-N 2 2 338.499 3.362 10 0 EGAELP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000631037758 461488977 /nfs/dbraw/zinc/48/89/77/461488977.db2.gz VUTSKEQMIHVVFA-UHFFFAOYSA-N 2 2 327.476 3.135 10 0 EGAELP CO[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000659991681 461534637 /nfs/dbraw/zinc/53/46/37/461534637.db2.gz ZIGIEVDIKWRBNP-NRFANRHFSA-N 2 2 345.531 3.226 10 0 EGAELP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000659991681 461534644 /nfs/dbraw/zinc/53/46/44/461534644.db2.gz ZIGIEVDIKWRBNP-NRFANRHFSA-N 2 2 345.531 3.226 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c2)c[nH+]1 ZINC000663345907 461574488 /nfs/dbraw/zinc/57/44/88/461574488.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 3 2 330.501 3.145 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2)c[nH+]1 ZINC000663345907 461574495 /nfs/dbraw/zinc/57/44/95/461574495.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 3 2 330.501 3.145 10 0 EGAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631144800 461588600 /nfs/dbraw/zinc/58/86/00/461588600.db2.gz RWHRPYDOPIMIRT-GJZGRUSLSA-N 2 2 326.444 3.069 10 0 EGAELP COc1c(C)[nH+]cnc1NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000656109654 461595658 /nfs/dbraw/zinc/59/56/58/461595658.db2.gz BTQOOSXNUQIPTB-UHFFFAOYSA-N 2 2 326.444 3.179 10 0 EGAELP Clc1c2ccccc2oc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631176837 461615778 /nfs/dbraw/zinc/61/57/78/461615778.db2.gz DKCLXICMHGHOBF-AWEZNQCLSA-N 2 2 334.847 3.429 10 0 EGAELP CC[NH+]1CCN(C[C@@H](C)CNc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663395478 461616193 /nfs/dbraw/zinc/61/61/93/461616193.db2.gz LSXGJXUXYSUFLZ-ZDUSSCGKSA-N 2 2 344.425 3.094 10 0 EGAELP CCN1CC[NH+](C[C@@H](C)CNc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663395478 461616201 /nfs/dbraw/zinc/61/62/01/461616201.db2.gz LSXGJXUXYSUFLZ-ZDUSSCGKSA-N 2 2 344.425 3.094 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195315 461634808 /nfs/dbraw/zinc/63/48/08/461634808.db2.gz FANJGTORMWWECJ-VQIMIIECSA-N 2 2 339.483 3.256 10 0 EGAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195315 461634812 /nfs/dbraw/zinc/63/48/12/461634812.db2.gz FANJGTORMWWECJ-VQIMIIECSA-N 2 2 339.483 3.256 10 0 EGAELP COc1cc(C)[nH+]c(CNc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000643287172 461667827 /nfs/dbraw/zinc/66/78/27/461667827.db2.gz TUFLBGVYLAWHCA-UHFFFAOYSA-N 2 2 341.455 3.151 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656252482 461673829 /nfs/dbraw/zinc/67/38/29/461673829.db2.gz BFVVOFDEYNVFLM-UZLBHIALSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656252482 461673833 /nfs/dbraw/zinc/67/38/33/461673833.db2.gz BFVVOFDEYNVFLM-UZLBHIALSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656252482 461673838 /nfs/dbraw/zinc/67/38/38/461673838.db2.gz BFVVOFDEYNVFLM-UZLBHIALSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656252482 461673842 /nfs/dbraw/zinc/67/38/42/461673842.db2.gz BFVVOFDEYNVFLM-UZLBHIALSA-N 2 2 326.488 3.404 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480477 461727610 /nfs/dbraw/zinc/72/76/10/461727610.db2.gz OWSNTNSFAIJLCM-DYVFJYSZSA-N 2 2 346.425 3.319 10 0 EGAELP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480477 461727613 /nfs/dbraw/zinc/72/76/13/461727613.db2.gz OWSNTNSFAIJLCM-DYVFJYSZSA-N 2 2 346.425 3.319 10 0 EGAELP Cn1c[nH+]cc1CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000656400037 461733486 /nfs/dbraw/zinc/73/34/86/461733486.db2.gz RYFLPAVMZQQHEG-UHFFFAOYSA-N 2 2 327.428 3.136 10 0 EGAELP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000656400037 461733495 /nfs/dbraw/zinc/73/34/95/461733495.db2.gz RYFLPAVMZQQHEG-UHFFFAOYSA-N 2 2 327.428 3.136 10 0 EGAELP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614777 461773586 /nfs/dbraw/zinc/77/35/86/461773586.db2.gz JQUCJIZGSDDPCZ-UXHICEINSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614777 461773592 /nfs/dbraw/zinc/77/35/92/461773592.db2.gz JQUCJIZGSDDPCZ-UXHICEINSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614777 461773598 /nfs/dbraw/zinc/77/35/98/461773598.db2.gz JQUCJIZGSDDPCZ-UXHICEINSA-N 2 2 328.500 3.156 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC12CC=CC2 ZINC000647614777 461773601 /nfs/dbraw/zinc/77/36/01/461773601.db2.gz JQUCJIZGSDDPCZ-UXHICEINSA-N 2 2 328.500 3.156 10 0 EGAELP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000639164379 461774299 /nfs/dbraw/zinc/77/42/99/461774299.db2.gz QRYRSDAVBWHCTN-WSCSCYJOSA-N 2 2 347.547 3.185 10 0 EGAELP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000639164379 461774304 /nfs/dbraw/zinc/77/43/04/461774304.db2.gz QRYRSDAVBWHCTN-WSCSCYJOSA-N 2 2 347.547 3.185 10 0 EGAELP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614513 461774332 /nfs/dbraw/zinc/77/43/32/461774332.db2.gz AZGUZRRFNULHRL-LEWJYISDSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614513 461774338 /nfs/dbraw/zinc/77/43/38/461774338.db2.gz AZGUZRRFNULHRL-LEWJYISDSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614513 461774345 /nfs/dbraw/zinc/77/43/45/461774345.db2.gz AZGUZRRFNULHRL-LEWJYISDSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614513 461774347 /nfs/dbraw/zinc/77/43/47/461774347.db2.gz AZGUZRRFNULHRL-LEWJYISDSA-N 2 2 340.511 3.082 10 0 EGAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899671 461874306 /nfs/dbraw/zinc/87/43/06/461874306.db2.gz SGGYRZOSVPEFPX-HKUYNNGSSA-N 2 2 337.467 3.242 10 0 EGAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647899671 461874313 /nfs/dbraw/zinc/87/43/13/461874313.db2.gz SGGYRZOSVPEFPX-HKUYNNGSSA-N 2 2 337.467 3.242 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899786 461875058 /nfs/dbraw/zinc/87/50/58/461875058.db2.gz WKBPFOOGBXVGII-IEZWGBDMSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899786 461875062 /nfs/dbraw/zinc/87/50/62/461875062.db2.gz WKBPFOOGBXVGII-IEZWGBDMSA-N 2 2 329.488 3.040 10 0 EGAELP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902856 461878068 /nfs/dbraw/zinc/87/80/68/461878068.db2.gz CTVSXNPNOBWCNC-NVXWUHKLSA-N 2 2 344.434 3.148 10 0 EGAELP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)ccc1F ZINC000647902856 461878078 /nfs/dbraw/zinc/87/80/78/461878078.db2.gz CTVSXNPNOBWCNC-NVXWUHKLSA-N 2 2 344.434 3.148 10 0 EGAELP CC1(C)C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[N@@H+]1Cc1ccccc1 ZINC000656980621 461948284 /nfs/dbraw/zinc/94/82/84/461948284.db2.gz ZPNKWPYERVNIMY-IBGZPJMESA-N 3 2 334.467 3.477 10 0 EGAELP CC1(C)C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000656980621 461948292 /nfs/dbraw/zinc/94/82/92/461948292.db2.gz ZPNKWPYERVNIMY-IBGZPJMESA-N 3 2 334.467 3.477 10 0 EGAELP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657347805 462061748 /nfs/dbraw/zinc/06/17/48/462061748.db2.gz GXWNZEMZRKMRTO-LBPRGKRZSA-N 2 2 344.272 3.193 10 0 EGAELP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657347805 462061754 /nfs/dbraw/zinc/06/17/54/462061754.db2.gz GXWNZEMZRKMRTO-LBPRGKRZSA-N 2 2 344.272 3.193 10 0 EGAELP CN1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000657417492 462109399 /nfs/dbraw/zinc/10/93/99/462109399.db2.gz NZXJLLPEIIWFFR-FUHWJXTLSA-N 2 2 348.853 3.157 10 0 EGAELP CCOc1c(OC)cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657525801 462166785 /nfs/dbraw/zinc/16/67/85/462166785.db2.gz WBNRGNSTJXCPQH-OAHLLOKOSA-N 2 2 336.476 3.065 10 0 EGAELP CCOc1c(OC)cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657525801 462166789 /nfs/dbraw/zinc/16/67/89/462166789.db2.gz WBNRGNSTJXCPQH-OAHLLOKOSA-N 2 2 336.476 3.065 10 0 EGAELP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657618890 462205339 /nfs/dbraw/zinc/20/53/39/462205339.db2.gz JOIJXCKKVVQUDT-INIZCTEOSA-N 2 2 344.833 3.318 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)C(F)F ZINC000651398745 462214147 /nfs/dbraw/zinc/21/41/47/462214147.db2.gz LZPKWZCZBBSAHC-OWCLPIDISA-N 2 2 326.431 3.034 10 0 EGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)C(F)F ZINC000651398745 462214153 /nfs/dbraw/zinc/21/41/53/462214153.db2.gz LZPKWZCZBBSAHC-OWCLPIDISA-N 2 2 326.431 3.034 10 0 EGAELP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667770205 462253441 /nfs/dbraw/zinc/25/34/41/462253441.db2.gz RJAWEEDQWVCANQ-RBUKOAKNSA-N 2 2 334.891 3.462 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657776911 462262031 /nfs/dbraw/zinc/26/20/31/462262031.db2.gz IHEABUFYIJONIO-WBVHZDCISA-N 2 2 338.442 3.179 10 0 EGAELP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000657776911 462262040 /nfs/dbraw/zinc/26/20/40/462262040.db2.gz IHEABUFYIJONIO-WBVHZDCISA-N 2 2 338.442 3.179 10 0 EGAELP CCc1ccc([C@H](C[NH2+][C@H](COC)CC2CCOCC2)[NH+](C)C)cc1 ZINC000657814562 462280939 /nfs/dbraw/zinc/28/09/39/462280939.db2.gz AWWPNYJIYJSIMO-SFTDATJTSA-N 2 2 348.531 3.273 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC3CC(CF)(CF)C3)[nH+]c2)CC1 ZINC000657948840 462326578 /nfs/dbraw/zinc/32/65/78/462326578.db2.gz BGPLINZWTSAWAJ-UHFFFAOYSA-N 2 2 338.446 3.112 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000658012648 462346648 /nfs/dbraw/zinc/34/66/48/462346648.db2.gz HLNSPOQSPBCYIH-QMMLZNLJSA-N 2 2 346.515 3.071 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000658012648 462346654 /nfs/dbraw/zinc/34/66/54/462346654.db2.gz HLNSPOQSPBCYIH-QMMLZNLJSA-N 2 2 346.515 3.071 10 0 EGAELP c1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984004 462360143 /nfs/dbraw/zinc/36/01/43/462360143.db2.gz HJNILRLFBFEUPP-OAQYLSRUSA-N 2 2 348.450 3.101 10 0 EGAELP c1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667984004 462360148 /nfs/dbraw/zinc/36/01/48/462360148.db2.gz HJNILRLFBFEUPP-OAQYLSRUSA-N 2 2 348.450 3.101 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059852 462360845 /nfs/dbraw/zinc/36/08/45/462360845.db2.gz XVWQBAWTEQCQIX-SJORKVTESA-N 2 2 334.504 3.487 10 0 EGAELP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059852 462360850 /nfs/dbraw/zinc/36/08/50/462360850.db2.gz XVWQBAWTEQCQIX-SJORKVTESA-N 2 2 334.504 3.487 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1OC ZINC000658063618 462363253 /nfs/dbraw/zinc/36/32/53/462363253.db2.gz WDFMTCHJFBAJEV-YOEHRIQHSA-N 2 2 334.504 3.406 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1OC ZINC000658063618 462363257 /nfs/dbraw/zinc/36/32/57/462363257.db2.gz WDFMTCHJFBAJEV-YOEHRIQHSA-N 2 2 334.504 3.406 10 0 EGAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244142 462366255 /nfs/dbraw/zinc/36/62/55/462366255.db2.gz HBECHVOECAEIEM-KSSFIOAISA-N 2 2 328.431 3.415 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccc(O)c2)cc1F ZINC000665259695 462374811 /nfs/dbraw/zinc/37/48/11/462374811.db2.gz NBNDIGMPDGKMFQ-FMEYXAORSA-N 2 2 344.430 3.336 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277344 462381689 /nfs/dbraw/zinc/38/16/89/462381689.db2.gz ZHHUWMQJGAIVRC-YSIASYRMSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277344 462381694 /nfs/dbraw/zinc/38/16/94/462381694.db2.gz ZHHUWMQJGAIVRC-YSIASYRMSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102889 462384929 /nfs/dbraw/zinc/38/49/29/462384929.db2.gz RHYOEACBMHZZTD-RMPXNZIMSA-N 2 2 337.471 3.069 10 0 EGAELP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncnn21 ZINC000658102889 462384936 /nfs/dbraw/zinc/38/49/36/462384936.db2.gz RHYOEACBMHZZTD-RMPXNZIMSA-N 2 2 337.471 3.069 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661787162 462411443 /nfs/dbraw/zinc/41/14/43/462411443.db2.gz ZGBBRJBDOBSNKE-RXVVDRJESA-N 2 2 349.482 3.415 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665357622 462415121 /nfs/dbraw/zinc/41/51/21/462415121.db2.gz RJLOPADEDOSJRG-HZPDHXFCSA-N 2 2 347.507 3.012 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665357622 462415130 /nfs/dbraw/zinc/41/51/30/462415130.db2.gz RJLOPADEDOSJRG-HZPDHXFCSA-N 2 2 347.507 3.012 10 0 EGAELP COc1ccnc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1F ZINC000658226501 462435368 /nfs/dbraw/zinc/43/53/68/462435368.db2.gz CASVEKCOBYFAAG-WMLDXEAASA-N 2 2 335.467 3.362 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658293436 462460380 /nfs/dbraw/zinc/46/03/80/462460380.db2.gz HBWSUCCWLUNPLZ-ICSRJNTNSA-N 2 2 344.499 3.360 10 0 EGAELP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000652199792 462469625 /nfs/dbraw/zinc/46/96/25/462469625.db2.gz CLUWELPMNRKULE-MGPUTAFESA-N 2 2 334.423 3.050 10 0 EGAELP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccn2)cc1 ZINC000652199792 462469631 /nfs/dbraw/zinc/46/96/31/462469631.db2.gz CLUWELPMNRKULE-MGPUTAFESA-N 2 2 334.423 3.050 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977044 462485013 /nfs/dbraw/zinc/48/50/13/462485013.db2.gz OXJWXYMILURQSY-KRWDZBQOSA-N 2 2 344.886 3.412 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977044 462485021 /nfs/dbraw/zinc/48/50/21/462485021.db2.gz OXJWXYMILURQSY-KRWDZBQOSA-N 2 2 344.886 3.412 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415020 462503532 /nfs/dbraw/zinc/50/35/32/462503532.db2.gz FGKRCUBWSLXGEH-HOCLYGCPSA-N 2 2 330.451 3.159 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415020 462503533 /nfs/dbraw/zinc/50/35/33/462503533.db2.gz FGKRCUBWSLXGEH-HOCLYGCPSA-N 2 2 330.451 3.159 10 0 EGAELP c1cc(C2CC[NH+](CCC[NH+]3CCC(c4ccon4)CC3)CC2)no1 ZINC000662047569 462511638 /nfs/dbraw/zinc/51/16/38/462511638.db2.gz FRLIDHLLPVJTRF-UHFFFAOYSA-N 2 2 344.459 3.112 10 0 EGAELP C[C@@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1[nH+]ccn1C ZINC000662092147 462523029 /nfs/dbraw/zinc/52/30/29/462523029.db2.gz OGALXHBMLKTNHU-OAHLLOKOSA-N 2 2 349.523 3.023 10 0 EGAELP Cc1cc(NCC[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594216 469588112 /nfs/dbraw/zinc/58/81/12/469588112.db2.gz MGZDMDZVEMSEEF-WMZOPIPTSA-N 2 2 342.487 3.075 10 0 EGAELP Cc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)s1 ZINC000171590213 534167703 /nfs/dbraw/zinc/16/77/03/534167703.db2.gz FZRDEGSCXPFMAX-UHFFFAOYSA-N 2 2 332.517 3.158 10 0 EGAELP Cc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)s1 ZINC000171590213 534167708 /nfs/dbraw/zinc/16/77/08/534167708.db2.gz FZRDEGSCXPFMAX-UHFFFAOYSA-N 2 2 332.517 3.158 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000178284945 534780644 /nfs/dbraw/zinc/78/06/44/534780644.db2.gz PKSKCUCMNSYBRJ-INIZCTEOSA-N 2 2 339.468 3.375 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000178284945 534780654 /nfs/dbraw/zinc/78/06/54/534780654.db2.gz PKSKCUCMNSYBRJ-INIZCTEOSA-N 2 2 339.468 3.375 10 0 EGAELP CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCCC2 ZINC000181475993 528099696 /nfs/dbraw/zinc/09/96/96/528099696.db2.gz PHVGZDYAWXHVIE-MSOLQXFVSA-N 2 2 340.471 3.485 10 0 EGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246830527 535541330 /nfs/dbraw/zinc/54/13/30/535541330.db2.gz BQIFHQZLISNEGR-RDTXWAMCSA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000246830527 535541334 /nfs/dbraw/zinc/54/13/34/535541334.db2.gz BQIFHQZLISNEGR-RDTXWAMCSA-N 2 2 330.476 3.105 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095627 546604342 /nfs/dbraw/zinc/60/43/42/546604342.db2.gz AIIKKCHBWRRKSF-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095627 546604346 /nfs/dbraw/zinc/60/43/46/546604346.db2.gz AIIKKCHBWRRKSF-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095627 546604350 /nfs/dbraw/zinc/60/43/50/546604350.db2.gz AIIKKCHBWRRKSF-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000081095627 546604355 /nfs/dbraw/zinc/60/43/55/546604355.db2.gz AIIKKCHBWRRKSF-BEFAXECRSA-N 2 2 330.451 3.174 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000156528019 546912283 /nfs/dbraw/zinc/91/22/83/546912283.db2.gz VQLDYTJKBGXQQM-DOTOQJQBSA-N 2 2 337.427 3.325 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000156528019 546912284 /nfs/dbraw/zinc/91/22/84/546912284.db2.gz VQLDYTJKBGXQQM-DOTOQJQBSA-N 2 2 337.427 3.325 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188411983 547146885 /nfs/dbraw/zinc/14/68/85/547146885.db2.gz NPEMQYPAWNRNEO-NVXWUHKLSA-N 2 2 331.435 3.374 10 0 EGAELP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188411983 547146891 /nfs/dbraw/zinc/14/68/91/547146891.db2.gz NPEMQYPAWNRNEO-NVXWUHKLSA-N 2 2 331.435 3.374 10 0 EGAELP CCCOc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC ZINC000188418053 547148884 /nfs/dbraw/zinc/14/88/84/547148884.db2.gz BHWBIQINXKZRLS-KRWDZBQOSA-N 2 2 329.444 3.345 10 0 EGAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754247 547269299 /nfs/dbraw/zinc/26/92/99/547269299.db2.gz YBWZMBPCVOBMKN-WMLDXEAASA-N 2 2 334.826 3.052 10 0 EGAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754247 547269304 /nfs/dbraw/zinc/26/93/04/547269304.db2.gz YBWZMBPCVOBMKN-WMLDXEAASA-N 2 2 334.826 3.052 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000414739475 547859742 /nfs/dbraw/zinc/85/97/42/547859742.db2.gz FWRRNSXBHREMPS-AEFFLSMTSA-N 2 2 332.492 3.036 10 0 EGAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000414739475 547859747 /nfs/dbraw/zinc/85/97/47/547859747.db2.gz FWRRNSXBHREMPS-AEFFLSMTSA-N 2 2 332.492 3.036 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCOC(C)(C)C ZINC000671625964 548319613 /nfs/dbraw/zinc/31/96/13/548319613.db2.gz JKQODBJZMZVVLJ-CQSZACIVSA-N 2 2 344.459 3.151 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCOC(C)(C)C ZINC000671625964 548319622 /nfs/dbraw/zinc/31/96/22/548319622.db2.gz JKQODBJZMZVVLJ-CQSZACIVSA-N 2 2 344.459 3.151 10 0 EGAELP C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672668943 548459770 /nfs/dbraw/zinc/45/97/70/548459770.db2.gz WZPNTWCBKZBMCI-KSSFIOAISA-N 2 2 337.427 3.147 10 0 EGAELP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000673616666 548582092 /nfs/dbraw/zinc/58/20/92/548582092.db2.gz FRGIKOAMBKNMDY-AWEZNQCLSA-N 2 2 347.871 3.453 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000675141722 548853731 /nfs/dbraw/zinc/85/37/31/548853731.db2.gz LUYLTDUKVCSACR-CRAIPNDOSA-N 2 2 349.438 3.119 10 0 EGAELP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000675141722 548853732 /nfs/dbraw/zinc/85/37/32/548853732.db2.gz LUYLTDUKVCSACR-CRAIPNDOSA-N 2 2 349.438 3.119 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2nccn21)c1ccccc1 ZINC000678303209 549464715 /nfs/dbraw/zinc/46/47/15/549464715.db2.gz QRSGUKAJHFDVGK-GOSISDBHSA-N 2 2 331.423 3.141 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000678496419 549508597 /nfs/dbraw/zinc/50/85/97/549508597.db2.gz DPWVKSBFXAXYQP-INIZCTEOSA-N 2 2 338.480 3.439 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024833 549617812 /nfs/dbraw/zinc/61/78/12/549617812.db2.gz NVJASJPCUVELQP-FQELHTAISA-N 2 2 348.494 3.073 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679024833 549617815 /nfs/dbraw/zinc/61/78/15/549617815.db2.gz NVJASJPCUVELQP-FQELHTAISA-N 2 2 348.494 3.073 10 0 EGAELP CC[C@@H](C)CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000680039993 549809575 /nfs/dbraw/zinc/80/95/75/549809575.db2.gz LTWBKLUUVRTYHT-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CC[C@@H](C)CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000680039993 549809580 /nfs/dbraw/zinc/80/95/80/549809580.db2.gz LTWBKLUUVRTYHT-WRURNZQNSA-N 2 2 349.563 3.362 10 0 EGAELP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710179 550030272 /nfs/dbraw/zinc/03/02/72/550030272.db2.gz VCNKDKROKNAFNK-YLJYHZDGSA-N 2 2 346.540 3.494 10 0 EGAELP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710179 550030273 /nfs/dbraw/zinc/03/02/73/550030273.db2.gz VCNKDKROKNAFNK-YLJYHZDGSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710179 550030275 /nfs/dbraw/zinc/03/02/75/550030275.db2.gz VCNKDKROKNAFNK-YLJYHZDGSA-N 2 2 346.540 3.494 10 0 EGAELP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000681710179 550030277 /nfs/dbraw/zinc/03/02/77/550030277.db2.gz VCNKDKROKNAFNK-YLJYHZDGSA-N 2 2 346.540 3.494 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537450 550112918 /nfs/dbraw/zinc/11/29/18/550112918.db2.gz SSXHDSKHXCPSKX-JKSUJKDBSA-N 2 2 344.421 3.142 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537450 550112922 /nfs/dbraw/zinc/11/29/22/550112922.db2.gz SSXHDSKHXCPSKX-JKSUJKDBSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537450 550112924 /nfs/dbraw/zinc/11/29/24/550112924.db2.gz SSXHDSKHXCPSKX-JKSUJKDBSA-N 2 2 344.421 3.142 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537450 550112926 /nfs/dbraw/zinc/11/29/26/550112926.db2.gz SSXHDSKHXCPSKX-JKSUJKDBSA-N 2 2 344.421 3.142 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683230741 550206196 /nfs/dbraw/zinc/20/61/96/550206196.db2.gz IWLSYEPASVQIEO-UHFFFAOYSA-N 2 2 340.431 3.037 10 0 EGAELP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000684366864 550320123 /nfs/dbraw/zinc/32/01/23/550320123.db2.gz CFXNUMWSYNGQHK-FPOVZHCZSA-N 2 2 345.531 3.054 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851993 576817057 /nfs/dbraw/zinc/81/70/57/576817057.db2.gz UPARYQWURCUCDH-MOPGFXCFSA-N 2 2 337.552 3.269 10 0 EGAELP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851993 576817058 /nfs/dbraw/zinc/81/70/58/576817058.db2.gz UPARYQWURCUCDH-MOPGFXCFSA-N 2 2 337.552 3.269 10 0 EGAELP C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783574 1296075996 /nfs/dbraw/zinc/07/59/96/1296075996.db2.gz AUDXTGUPQNVIIH-LPHOPBHVSA-N 2 2 341.455 3.351 10 0 EGAELP C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870783574 1296076013 /nfs/dbraw/zinc/07/60/13/1296076013.db2.gz AUDXTGUPQNVIIH-LPHOPBHVSA-N 2 2 341.455 3.351 10 0 EGAELP COc1cc2c(c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000237405906 1296240390 /nfs/dbraw/zinc/24/03/90/1296240390.db2.gz CWXVCCDXZQMMEY-OAHLLOKOSA-N 2 2 349.434 3.494 10 0 EGAELP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCOC1 ZINC000872056136 1296704823 /nfs/dbraw/zinc/70/48/23/1296704823.db2.gz OKYHLPAOQMUVLH-FXAWDEMLSA-N 2 2 331.504 3.446 10 0 EGAELP COCC(C)(C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000872105358 1296731467 /nfs/dbraw/zinc/73/14/67/1296731467.db2.gz HMKNIQHDCUTYFC-UHFFFAOYSA-N 2 2 333.520 3.374 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148687 1296766216 /nfs/dbraw/zinc/76/62/16/1296766216.db2.gz HBTNWWARLMTZAE-LSDHHAIUSA-N 2 2 330.394 3.388 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148687 1296766227 /nfs/dbraw/zinc/76/62/27/1296766227.db2.gz HBTNWWARLMTZAE-LSDHHAIUSA-N 2 2 330.394 3.388 10 0 EGAELP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000381156247 1297551951 /nfs/dbraw/zinc/55/19/51/1297551951.db2.gz OBTCVWIFIQULTH-FQEVSTJZSA-N 2 2 342.483 3.058 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399088064 1297724004 /nfs/dbraw/zinc/72/40/04/1297724004.db2.gz RYVMVTBHRFXWNP-DLBZAZTESA-N 2 2 339.524 3.096 10 0 EGAELP c1cn(CCCC2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)c[nH+]1 ZINC000878402218 1299976848 /nfs/dbraw/zinc/97/68/48/1299976848.db2.gz DPBFHFIJKLOOAZ-IBGZPJMESA-N 2 2 347.503 3.104 10 0 EGAELP C(C[NH+]1CCCCC1)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551730 1300593608 /nfs/dbraw/zinc/59/36/08/1300593608.db2.gz IBLANNNCMZCARF-UHFFFAOYSA-N 2 2 332.492 3.393 10 0 EGAELP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccccn1 ZINC000894145918 1306246038 /nfs/dbraw/zinc/24/60/38/1306246038.db2.gz KOWQIFBZCNXSPQ-GFCCVEGCSA-N 2 2 349.381 3.316 10 0 EGAELP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC000894187155 1306267364 /nfs/dbraw/zinc/26/73/64/1306267364.db2.gz OJQTVXPGRZBJNF-UHFFFAOYSA-N 2 2 349.381 3.063 10 0 EGAELP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1O ZINC000895111611 1309194611 /nfs/dbraw/zinc/19/46/11/1309194611.db2.gz QMTHSNIWELJHRW-WKILWMFISA-N 2 2 327.428 3.072 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(Cc2nc3c(s2)CCC3)c2cccc[nH+]2)CC1 ZINC000895110530 1309194791 /nfs/dbraw/zinc/19/47/91/1309194791.db2.gz OLNGEAUXAATKGQ-HDJSIYSDSA-N 2 2 328.485 3.303 10 0 EGAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000895112876 1309196935 /nfs/dbraw/zinc/19/69/35/1309196935.db2.gz TZWZLYVDMOBJPV-AJNGGQMLSA-N 2 2 343.393 3.268 10 0 EGAELP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000895554181 1309398495 /nfs/dbraw/zinc/39/84/95/1309398495.db2.gz RVNLKMFAVXFUFR-UHFFFAOYSA-N 2 2 342.487 3.499 10 0 EGAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850836 1328603772 /nfs/dbraw/zinc/60/37/72/1328603772.db2.gz ALQXCQJTDZXYCA-RHSMWYFYSA-N 2 2 330.501 3.350 10 0 EGAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850836 1328603775 /nfs/dbraw/zinc/60/37/75/1328603775.db2.gz ALQXCQJTDZXYCA-RHSMWYFYSA-N 2 2 330.501 3.350 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763248 1328693214 /nfs/dbraw/zinc/69/32/14/1328693214.db2.gz MFDRYVWGMWRBQW-XHSDSOJGSA-N 2 2 334.426 3.150 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763248 1328693215 /nfs/dbraw/zinc/69/32/15/1328693215.db2.gz MFDRYVWGMWRBQW-XHSDSOJGSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763248 1328693217 /nfs/dbraw/zinc/69/32/17/1328693217.db2.gz MFDRYVWGMWRBQW-XHSDSOJGSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929763248 1328693218 /nfs/dbraw/zinc/69/32/18/1328693218.db2.gz MFDRYVWGMWRBQW-XHSDSOJGSA-N 2 2 334.426 3.150 10 0 EGAELP FC(F)(F)[C@H]1CC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129496 1328792276 /nfs/dbraw/zinc/79/22/76/1328792276.db2.gz QKLQLIZGCWENBK-UONOGXRCSA-N 2 2 329.366 3.068 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)[C@@H]1c1cccs1 ZINC000921775993 1322396946 /nfs/dbraw/zinc/39/69/46/1322396946.db2.gz JVFGCPFLBBXKES-NVXWUHKLSA-N 2 2 336.480 3.087 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)[C@@H]1c1cccs1 ZINC000921775993 1322396947 /nfs/dbraw/zinc/39/69/47/1322396947.db2.gz JVFGCPFLBBXKES-NVXWUHKLSA-N 2 2 336.480 3.087 10 0 EGAELP CCO[C@@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)C[NH+](C)C ZINC000922756154 1322611349 /nfs/dbraw/zinc/61/13/49/1322611349.db2.gz LVFMHLQNZFZAJR-LBPRGKRZSA-N 2 2 327.881 3.006 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+]C2[C@H](C)COC[C@H]2C)CCOCC1)c1ccccc1 ZINC000925109309 1323285301 /nfs/dbraw/zinc/28/53/01/1323285301.db2.gz CRWDKBISKKOASO-KURKYZTESA-N 2 2 346.515 3.147 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+]C2[C@@H](C)COC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000925109306 1323285776 /nfs/dbraw/zinc/28/57/76/1323285776.db2.gz CRWDKBISKKOASO-BZSNNMDCSA-N 2 2 346.515 3.147 10 0 EGAELP Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000859799635 1329080677 /nfs/dbraw/zinc/08/06/77/1329080677.db2.gz RPVAVUDRIIBVRX-GOSISDBHSA-N 2 2 334.891 3.194 10 0 EGAELP Cc1cc(Cl)ccc1C1=CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000859799635 1329080680 /nfs/dbraw/zinc/08/06/80/1329080680.db2.gz RPVAVUDRIIBVRX-GOSISDBHSA-N 2 2 334.891 3.194 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1 ZINC000925157090 1325068532 /nfs/dbraw/zinc/06/85/32/1325068532.db2.gz NMGQGGAJCFIUFI-UXHICEINSA-N 2 2 342.462 3.160 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)n2)cc1 ZINC000925157090 1325068540 /nfs/dbraw/zinc/06/85/40/1325068540.db2.gz NMGQGGAJCFIUFI-UXHICEINSA-N 2 2 342.462 3.160 10 0 EGAELP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000925534923 1325196460 /nfs/dbraw/zinc/19/64/60/1325196460.db2.gz RLORQSIECKMXBS-SWLSCSKDSA-N 2 2 339.277 3.091 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925596545 1325225745 /nfs/dbraw/zinc/22/57/45/1325225745.db2.gz WWGDMURQJBBUCQ-FFZOFVMBSA-N 2 2 331.504 3.258 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000925776929 1325297229 /nfs/dbraw/zinc/29/72/29/1325297229.db2.gz AZQLEYSSIWQAEC-MNOVXSKESA-N 2 2 333.220 3.345 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)S4)[nH+]c2)CC1 ZINC000925906204 1325352543 /nfs/dbraw/zinc/35/25/43/1325352543.db2.gz OBFASGCBHNUQCI-DODVFSASSA-N 2 2 346.544 3.451 10 0 EGAELP Cc1nc2c(o1)CCC[C@@H]2Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000925935446 1325364016 /nfs/dbraw/zinc/36/40/16/1325364016.db2.gz DOKNEGLRQOJQRB-CVEARBPZSA-N 2 2 341.459 3.008 10 0 EGAELP CCCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926102042 1325426771 /nfs/dbraw/zinc/42/67/71/1325426771.db2.gz VZFQPTPBPGSSHW-UHFFFAOYSA-N 2 2 346.519 3.307 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324241 1325516174 /nfs/dbraw/zinc/51/61/74/1325516174.db2.gz DEFOSTFQMKVCAQ-IEBWSBKVSA-N 2 2 338.499 3.392 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324241 1325516182 /nfs/dbraw/zinc/51/61/82/1325516182.db2.gz DEFOSTFQMKVCAQ-IEBWSBKVSA-N 2 2 338.499 3.392 10 0 EGAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635681 1327647113 /nfs/dbraw/zinc/64/71/13/1327647113.db2.gz QEINGKZZVGDPHZ-FGTMMUONSA-N 2 2 325.456 3.295 10 0 EGAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926635681 1327647121 /nfs/dbraw/zinc/64/71/21/1327647121.db2.gz QEINGKZZVGDPHZ-FGTMMUONSA-N 2 2 325.456 3.295 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C)C[NH+](C)C ZINC000926960248 1327797786 /nfs/dbraw/zinc/79/77/86/1327797786.db2.gz FXZJLZVTSOOUKK-CJNGLKHVSA-N 2 2 348.516 3.131 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1)C[NH+](C)C ZINC000926962412 1327800402 /nfs/dbraw/zinc/80/04/02/1327800402.db2.gz LWJKLVGUUKEBAL-DOMZBBRYSA-N 2 2 329.282 3.066 10 0 EGAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@H]1c1cccs1 ZINC000865474944 1329702459 /nfs/dbraw/zinc/70/24/59/1329702459.db2.gz FOVSQTQLCVTXCI-KSSFIOAISA-N 2 2 330.501 3.452 10 0 EGAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CC3)cn2)[C@H]1c1cccs1 ZINC000865474944 1329702461 /nfs/dbraw/zinc/70/24/61/1329702461.db2.gz FOVSQTQLCVTXCI-KSSFIOAISA-N 2 2 330.501 3.452 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865729240 1329733486 /nfs/dbraw/zinc/73/34/86/1329733486.db2.gz FIEZWDKMYLUOBL-IRXDYDNUSA-N 2 2 330.472 3.358 10 0 EGAELP CC(C)(C)OC(=O)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865729240 1329733487 /nfs/dbraw/zinc/73/34/87/1329733487.db2.gz FIEZWDKMYLUOBL-IRXDYDNUSA-N 2 2 330.472 3.358 10 0 EGAELP COc1cccc2c1OC[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000865820042 1329741962 /nfs/dbraw/zinc/74/19/62/1329741962.db2.gz GOLPKPALRUJYQK-CQSZACIVSA-N 2 2 341.436 3.036 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866392393 1330105676 /nfs/dbraw/zinc/10/56/76/1330105676.db2.gz CILAXXJNLVEKFB-GXTWGEPZSA-N 2 2 349.862 3.385 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705718 1330143090 /nfs/dbraw/zinc/14/30/90/1330143090.db2.gz HUPPZRDGKZOAGF-SFHVURJKSA-N 2 2 334.895 3.424 10 0 EGAELP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705718 1330143093 /nfs/dbraw/zinc/14/30/93/1330143093.db2.gz HUPPZRDGKZOAGF-SFHVURJKSA-N 2 2 334.895 3.424 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705906 1330143152 /nfs/dbraw/zinc/14/31/52/1330143152.db2.gz JGXKCVAPPNQGGG-FOIQADDNSA-N 2 2 342.487 3.418 10 0 EGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705906 1330143156 /nfs/dbraw/zinc/14/31/56/1330143156.db2.gz JGXKCVAPPNQGGG-FOIQADDNSA-N 2 2 342.487 3.418 10 0 EGAELP C[C@H](CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001323080073 1387284700 /nfs/dbraw/zinc/28/47/00/1387284700.db2.gz FOKHPOMEXMXMGF-VQIMIIECSA-N 2 2 346.519 3.289 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001324181966 1387552004 /nfs/dbraw/zinc/55/20/04/1387552004.db2.gz RVDWDEPYEAKVOA-ZWKOTPCHSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001324835560 1387786724 /nfs/dbraw/zinc/78/67/24/1387786724.db2.gz ZCTNUYHLOSJNRG-FQEVSTJZSA-N 2 2 348.535 3.318 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(N(C)C)n3)C2)CC1 ZINC001190651999 1367317238 /nfs/dbraw/zinc/31/72/38/1367317238.db2.gz UHPJUNZPIUGNAD-SFHVURJKSA-N 2 2 330.520 3.092 10 0 EGAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(N(C)C)n3)C2)CC1 ZINC001190651999 1367317241 /nfs/dbraw/zinc/31/72/41/1367317241.db2.gz UHPJUNZPIUGNAD-SFHVURJKSA-N 2 2 330.520 3.092 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](CCc2nsc3ccccc23)CC1 ZINC001198771433 1369109502 /nfs/dbraw/zinc/10/95/02/1369109502.db2.gz WARUKSIWMVRZTL-UHFFFAOYSA-N 2 2 326.469 3.452 10 0 EGAELP CCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001326458667 1388198161 /nfs/dbraw/zinc/19/81/61/1388198161.db2.gz QMSSMCUQVWRSDG-UHFFFAOYSA-N 2 2 342.487 3.085 10 0 EGAELP CCC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001326458667 1388198167 /nfs/dbraw/zinc/19/81/67/1388198167.db2.gz QMSSMCUQVWRSDG-UHFFFAOYSA-N 2 2 342.487 3.085 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001266103776 1377187951 /nfs/dbraw/zinc/18/79/51/1377187951.db2.gz XMLUZHIMMVUFMW-ROUUACIJSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001266103776 1377187952 /nfs/dbraw/zinc/18/79/52/1377187952.db2.gz XMLUZHIMMVUFMW-ROUUACIJSA-N 2 2 334.508 3.049 10 0 EGAELP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C(C)C ZINC001135924191 1377264171 /nfs/dbraw/zinc/26/41/71/1377264171.db2.gz MQBNGOKKRWHYRH-HDICACEKSA-N 2 2 346.519 3.287 10 0 EGAELP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268493388 1377510220 /nfs/dbraw/zinc/51/02/20/1377510220.db2.gz VRDIRASFEVAXJL-UHFFFAOYSA-N 2 2 348.535 3.486 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001271628612 1377643814 /nfs/dbraw/zinc/64/38/14/1377643814.db2.gz IFZIXNGYURAPIP-WMZOPIPTSA-N 2 2 348.535 3.191 10 0 EGAELP CCCCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278979341 1378295078 /nfs/dbraw/zinc/29/50/78/1378295078.db2.gz YUZVDQLWSLDGOL-IRXDYDNUSA-N 2 2 348.535 3.146 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281839637 1378454896 /nfs/dbraw/zinc/45/48/96/1378454896.db2.gz AXSAZFWDSLAJAU-KRWDZBQOSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281839637 1378454898 /nfs/dbraw/zinc/45/48/98/1378454898.db2.gz AXSAZFWDSLAJAU-KRWDZBQOSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281839637 1378454900 /nfs/dbraw/zinc/45/49/00/1378454900.db2.gz AXSAZFWDSLAJAU-KRWDZBQOSA-N 2 2 346.519 3.115 10 0 EGAELP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281839637 1378454902 /nfs/dbraw/zinc/45/49/02/1378454902.db2.gz AXSAZFWDSLAJAU-KRWDZBQOSA-N 2 2 346.519 3.115 10 0 EGAELP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001282725203 1378579155 /nfs/dbraw/zinc/57/91/55/1378579155.db2.gz NDVWVLDKQCAROQ-CQSZACIVSA-N 2 2 328.460 3.049 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283632302 1379068411 /nfs/dbraw/zinc/06/84/11/1379068411.db2.gz OLHVILQWQRNOOH-XHPSBEMXSA-N 2 2 328.460 3.359 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001283869090 1379216048 /nfs/dbraw/zinc/21/60/48/1379216048.db2.gz RGPQWAFCVDWHTB-DOTOQJQBSA-N 2 2 328.460 3.026 10 0 EGAELP CC[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)Cc1ccccc1 ZINC001284148658 1379542423 /nfs/dbraw/zinc/54/24/23/1379542423.db2.gz NWOHZYOPBKDFKC-LJQANCHMSA-N 2 2 339.483 3.348 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001284199288 1379593162 /nfs/dbraw/zinc/59/31/62/1379593162.db2.gz VSIBXGPDCLGIRL-ZWKOTPCHSA-N 2 2 329.488 3.295 10 0 EGAELP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001284614785 1380013782 /nfs/dbraw/zinc/01/37/82/1380013782.db2.gz YEPLLAJJXYQDKH-CVEARBPZSA-N 2 2 337.483 3.489 10 0 EGAELP CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001328005104 1388643488 /nfs/dbraw/zinc/64/34/88/1388643488.db2.gz XXEYASXHNDGHCW-UHFFFAOYSA-N 2 2 342.487 3.355 10 0 EGAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001284774050 1380198980 /nfs/dbraw/zinc/19/89/80/1380198980.db2.gz MPPGJUOQEAZULR-PLNGDYQASA-N 2 2 326.444 3.112 10 0 EGAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001328731816 1388829470 /nfs/dbraw/zinc/82/94/70/1388829470.db2.gz ALIYARNTJXRFOR-MOPGFXCFSA-N 2 2 346.519 3.359 10 0 EGAELP C[C@H](COCc1ccccc1)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308169096 1384104808 /nfs/dbraw/zinc/10/48/08/1384104808.db2.gz YJFTVPCPTKAWRM-KRWDZBQOSA-N 2 2 327.472 3.452 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316877243 1384661149 /nfs/dbraw/zinc/66/11/49/1384661149.db2.gz DVPSANVRUXWPPS-IBMJZYDUSA-N 2 2 346.519 3.068 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc3ccsc3)ccn12 ZINC001329030405 1388937697 /nfs/dbraw/zinc/93/76/97/1388937697.db2.gz ALKXGDBUVIOHMA-ZIAGYGMSSA-N 2 2 342.468 3.001 10 0 EGAELP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317154860 1384919762 /nfs/dbraw/zinc/91/97/62/1384919762.db2.gz XREDLIATMFRKAS-QDLOVBKTSA-N 2 2 340.471 3.361 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317154861 1384919810 /nfs/dbraw/zinc/91/98/10/1384919810.db2.gz XREDLIATMFRKAS-QGZUEGPWSA-N 2 2 340.471 3.361 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317220721 1385000776 /nfs/dbraw/zinc/00/07/76/1385000776.db2.gz HJZBCVNEGKRZNQ-UHFFFAOYSA-N 2 2 348.535 3.196 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317354023 1385101521 /nfs/dbraw/zinc/10/15/21/1385101521.db2.gz BCQWQKOHDAJMGR-ZWKOTPCHSA-N 2 2 347.503 3.086 10 0 EGAELP COc1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001176983870 1385764588 /nfs/dbraw/zinc/76/45/88/1385764588.db2.gz BLBMUTWCUWULLS-OAHLLOKOSA-N 2 2 328.460 3.421 10 0 EGAELP COc1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001176983870 1385764598 /nfs/dbraw/zinc/76/45/98/1385764598.db2.gz BLBMUTWCUWULLS-OAHLLOKOSA-N 2 2 328.460 3.421 10 0 EGAELP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990366 1385765895 /nfs/dbraw/zinc/76/58/95/1385765895.db2.gz HMUCEODYJFCNDO-ZOBUZTSGSA-N 2 2 335.492 3.405 10 0 EGAELP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990366 1385765899 /nfs/dbraw/zinc/76/58/99/1385765899.db2.gz HMUCEODYJFCNDO-ZOBUZTSGSA-N 2 2 335.492 3.405 10 0 EGAELP c1cc2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2[nH]1 ZINC001177235776 1385878420 /nfs/dbraw/zinc/87/84/20/1385878420.db2.gz JXQZYJDQTLSDIA-UHFFFAOYSA-N 2 2 348.494 3.470 10 0 EGAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001320170392 1386546562 /nfs/dbraw/zinc/54/65/62/1386546562.db2.gz IAUVAYXGKHRFCZ-FUHWJXTLSA-N 2 2 348.535 3.054 10 0 EGAELP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001698665622 1406316499 /nfs/dbraw/zinc/31/64/99/1406316499.db2.gz VVVJYWBJHKXHQO-YWZLYKJASA-N 2 2 346.519 3.043 10 0 EGAELP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001329560547 1389156219 /nfs/dbraw/zinc/15/62/19/1389156219.db2.gz OJWVRFUPBBEBHO-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001329560547 1389156220 /nfs/dbraw/zinc/15/62/20/1389156220.db2.gz OJWVRFUPBBEBHO-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CCCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001329849443 1389236792 /nfs/dbraw/zinc/23/67/92/1389236792.db2.gz QWKFFLSQIFSDAN-IAGOWNOFSA-N 2 2 346.519 3.123 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001337042630 1389243317 /nfs/dbraw/zinc/24/33/17/1389243317.db2.gz OYOFBJXJDMVUPH-GOEBONIOSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001337042630 1389243318 /nfs/dbraw/zinc/24/33/18/1389243318.db2.gz OYOFBJXJDMVUPH-GOEBONIOSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001337042630 1389243319 /nfs/dbraw/zinc/24/33/19/1389243319.db2.gz OYOFBJXJDMVUPH-GOEBONIOSA-N 2 2 336.549 3.356 10 0 EGAELP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001337042630 1389243322 /nfs/dbraw/zinc/24/33/22/1389243322.db2.gz OYOFBJXJDMVUPH-GOEBONIOSA-N 2 2 336.549 3.356 10 0 EGAELP CC(C)(C)CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001330209743 1389342164 /nfs/dbraw/zinc/34/21/64/1389342164.db2.gz KRQPJHPUPWDQLE-INMHGKMJSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001330209743 1389342173 /nfs/dbraw/zinc/34/21/73/1389342173.db2.gz KRQPJHPUPWDQLE-INMHGKMJSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001330209743 1389342176 /nfs/dbraw/zinc/34/21/76/1389342176.db2.gz KRQPJHPUPWDQLE-INMHGKMJSA-N 2 2 346.519 3.166 10 0 EGAELP CC(C)(C)CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001330209743 1389342185 /nfs/dbraw/zinc/34/21/85/1389342185.db2.gz KRQPJHPUPWDQLE-INMHGKMJSA-N 2 2 346.519 3.166 10 0 EGAELP COc1cccc2c1[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC2 ZINC001330362482 1389399250 /nfs/dbraw/zinc/39/92/50/1389399250.db2.gz NNYMJNCSJSNJMP-OAHLLOKOSA-N 2 2 348.406 3.253 10 0 EGAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001330613927 1389469789 /nfs/dbraw/zinc/46/97/89/1389469789.db2.gz QGIDVGZTLHJWQD-GUDVDZBRSA-N 2 2 346.519 3.145 10 0 EGAELP CC(C)CC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001331203655 1389654209 /nfs/dbraw/zinc/65/42/09/1389654209.db2.gz XUPULXJZFNSYHW-MRXNPFEDSA-N 2 2 330.476 3.343 10 0 EGAELP CCCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001331515480 1389778316 /nfs/dbraw/zinc/77/83/16/1389778316.db2.gz GVJRWBXRZZYPHO-INIZCTEOSA-N 2 2 328.460 3.113 10 0 EGAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC001332394396 1390104739 /nfs/dbraw/zinc/10/47/39/1390104739.db2.gz VMPVYGPGXBGLAN-CQSZACIVSA-N 2 2 326.400 3.006 10 0 EGAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001332454063 1390122088 /nfs/dbraw/zinc/12/20/88/1390122088.db2.gz RVFOBIKZOYANNH-GOSISDBHSA-N 2 2 346.519 3.070 10 0 EGAELP CC[C@@H](F)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332712027 1390165604 /nfs/dbraw/zinc/16/56/04/1390165604.db2.gz ZFHMBWYXNMSILY-OAHLLOKOSA-N 2 2 334.439 3.093 10 0 EGAELP CC[C@@H](F)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001332712027 1390165607 /nfs/dbraw/zinc/16/56/07/1390165607.db2.gz ZFHMBWYXNMSILY-OAHLLOKOSA-N 2 2 334.439 3.093 10 0 EGAELP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001332720117 1390166702 /nfs/dbraw/zinc/16/67/02/1390166702.db2.gz LTWADGZQPQUMIJ-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001332720117 1390166704 /nfs/dbraw/zinc/16/67/04/1390166704.db2.gz LTWADGZQPQUMIJ-UHFFFAOYSA-N 2 2 346.519 3.022 10 0 EGAELP C[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC001332879712 1390207383 /nfs/dbraw/zinc/20/73/83/1390207383.db2.gz SCUPEKCYRKXVEL-HXUWFJFHSA-N 2 2 329.488 3.056 10 0 EGAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348705355 1391254916 /nfs/dbraw/zinc/25/49/16/1391254916.db2.gz JFLTXMHTGHZSRH-BRWVUGGUSA-N 2 2 346.519 3.217 10 0 EGAELP COC(=O)c1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001350563563 1391481404 /nfs/dbraw/zinc/48/14/04/1391481404.db2.gz YBNSPSCBKMRNLG-LJQANCHMSA-N 2 2 349.434 3.280 10 0 EGAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344688 1391992969 /nfs/dbraw/zinc/99/29/69/1391992969.db2.gz IBEILDLRKBCQRG-DLBZAZTESA-N 2 2 346.519 3.219 10 0 EGAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353344688 1391992972 /nfs/dbraw/zinc/99/29/72/1391992972.db2.gz IBEILDLRKBCQRG-DLBZAZTESA-N 2 2 346.519 3.219 10 0 EGAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479303329 1392208327 /nfs/dbraw/zinc/20/83/27/1392208327.db2.gz XSYZGIUAULYWQK-FZNQNYSPSA-N 2 2 328.460 3.097 10 0 EGAELP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001479328138 1392215739 /nfs/dbraw/zinc/21/57/39/1392215739.db2.gz LTJCDNXHKRSQEP-ZACQAIPSSA-N 2 2 334.508 3.145 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001480182086 1392613759 /nfs/dbraw/zinc/61/37/59/1392613759.db2.gz INJASDSPALSMHW-DUZACMNTSA-N 2 2 346.519 3.136 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001480182086 1392613760 /nfs/dbraw/zinc/61/37/60/1392613760.db2.gz INJASDSPALSMHW-DUZACMNTSA-N 2 2 346.519 3.136 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001480182086 1392613761 /nfs/dbraw/zinc/61/37/61/1392613761.db2.gz INJASDSPALSMHW-DUZACMNTSA-N 2 2 346.519 3.136 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001480182086 1392613762 /nfs/dbraw/zinc/61/37/62/1392613762.db2.gz INJASDSPALSMHW-DUZACMNTSA-N 2 2 346.519 3.136 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190322 1392620102 /nfs/dbraw/zinc/62/01/02/1392620102.db2.gz ZOGLAKASVUSVFP-QZTJIDSGSA-N 2 2 346.519 3.022 10 0 EGAELP CC(C)(C)CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190322 1392620103 /nfs/dbraw/zinc/62/01/03/1392620103.db2.gz ZOGLAKASVUSVFP-QZTJIDSGSA-N 2 2 346.519 3.022 10 0 EGAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480381539 1392724699 /nfs/dbraw/zinc/72/46/99/1392724699.db2.gz CZCRNZBYLWJMFJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001480381539 1392724701 /nfs/dbraw/zinc/72/47/01/1392724701.db2.gz CZCRNZBYLWJMFJ-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](C)CC(C)C)c[nH+]1 ZINC001481046799 1393105519 /nfs/dbraw/zinc/10/55/19/1393105519.db2.gz ZYRGMBAIDCSXEA-FUHWJXTLSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](C)CC(C)C)c[nH+]1 ZINC001481046799 1393105520 /nfs/dbraw/zinc/10/55/20/1393105520.db2.gz ZYRGMBAIDCSXEA-FUHWJXTLSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1Cl ZINC001481304716 1393160948 /nfs/dbraw/zinc/16/09/48/1393160948.db2.gz ZTYRCDZZSLNXNM-ZDUSSCGKSA-N 2 2 348.878 3.150 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437740 1394293372 /nfs/dbraw/zinc/29/33/72/1394293372.db2.gz HZRPVLZIMUAOBB-RTBURBONSA-N 2 2 346.519 3.099 10 0 EGAELP CC(C)C[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1)n1cc[nH+]c1 ZINC001481437740 1394293374 /nfs/dbraw/zinc/29/33/74/1394293374.db2.gz HZRPVLZIMUAOBB-RTBURBONSA-N 2 2 346.519 3.099 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490778447 1394343305 /nfs/dbraw/zinc/34/33/05/1394343305.db2.gz XVCAJQVZFAPNDW-WYNBNGFRSA-N 2 2 346.519 3.361 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001490778447 1394343308 /nfs/dbraw/zinc/34/33/08/1394343308.db2.gz XVCAJQVZFAPNDW-WYNBNGFRSA-N 2 2 346.519 3.361 10 0 EGAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001490791342 1394346074 /nfs/dbraw/zinc/34/60/74/1394346074.db2.gz JALUBNSIVYXSAT-CALCHBBNSA-N 2 2 349.544 3.289 10 0 EGAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001490791342 1394346080 /nfs/dbraw/zinc/34/60/80/1394346080.db2.gz JALUBNSIVYXSAT-CALCHBBNSA-N 2 2 349.544 3.289 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491163373 1394455350 /nfs/dbraw/zinc/45/53/50/1394455350.db2.gz FPTWIOYZTLUDQH-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491252203 1394492021 /nfs/dbraw/zinc/49/20/21/1394492021.db2.gz KQXCLLZJZHRXEU-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491252203 1394492024 /nfs/dbraw/zinc/49/20/24/1394492024.db2.gz KQXCLLZJZHRXEU-GVDBMIGSSA-N 2 2 332.492 3.064 10 0 EGAELP C[C@H]1CCCC[C@@]1(C[NH2+]CC1=CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001481965260 1394627592 /nfs/dbraw/zinc/62/75/92/1394627592.db2.gz WHWJYSLQGGLLCH-PXNSSMCTSA-N 2 2 344.503 3.038 10 0 EGAELP CC(C)CC[NH2+]CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001482001456 1394660798 /nfs/dbraw/zinc/66/07/98/1394660798.db2.gz LIXQVLKDYOXRCB-UHFFFAOYSA-N 2 2 342.487 3.212 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001482298869 1394875359 /nfs/dbraw/zinc/87/53/59/1394875359.db2.gz JWJHPYJOAHMTFK-QGZVFWFLSA-N 2 2 346.519 3.254 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001482311438 1394883640 /nfs/dbraw/zinc/88/36/40/1394883640.db2.gz OXBNMZZSXJWWAD-KRWDZBQOSA-N 2 2 348.535 3.150 10 0 EGAELP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001482311483 1394883851 /nfs/dbraw/zinc/88/38/51/1394883851.db2.gz ALNYWDITJIJOJC-LBPRGKRZSA-N 2 2 331.382 3.009 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482448125 1395007548 /nfs/dbraw/zinc/00/75/48/1395007548.db2.gz AZHMFHBUBNOBBN-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482448125 1395007554 /nfs/dbraw/zinc/00/75/54/1395007554.db2.gz AZHMFHBUBNOBBN-SFHVURJKSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001483916027 1395143404 /nfs/dbraw/zinc/14/34/04/1395143404.db2.gz KMHKKPAXMFAPRK-SJORKVTESA-N 2 2 348.535 3.148 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001483967695 1395167896 /nfs/dbraw/zinc/16/78/96/1395167896.db2.gz OWRKQYCKRIHVDL-HZPDHXFCSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001483967695 1395167897 /nfs/dbraw/zinc/16/78/97/1395167897.db2.gz OWRKQYCKRIHVDL-HZPDHXFCSA-N 2 2 346.519 3.310 10 0 EGAELP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001484873792 1395575832 /nfs/dbraw/zinc/57/58/32/1395575832.db2.gz KPDJBNWSOOTSPT-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001484873792 1395575833 /nfs/dbraw/zinc/57/58/33/1395575833.db2.gz KPDJBNWSOOTSPT-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001484873792 1395575836 /nfs/dbraw/zinc/57/58/36/1395575836.db2.gz KPDJBNWSOOTSPT-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001484873792 1395575839 /nfs/dbraw/zinc/57/58/39/1395575839.db2.gz KPDJBNWSOOTSPT-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001485214061 1395709581 /nfs/dbraw/zinc/70/95/81/1395709581.db2.gz DKBXQYIMLWUZMQ-CABCVRRESA-N 2 2 342.487 3.067 10 0 EGAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001485221492 1395716503 /nfs/dbraw/zinc/71/65/03/1395716503.db2.gz ZYMDISVIQQVITN-IRXDYDNUSA-N 2 2 348.535 3.196 10 0 EGAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485233095 1395727080 /nfs/dbraw/zinc/72/70/80/1395727080.db2.gz XYEMSSVDJNJOAY-DLBZAZTESA-N 2 2 334.508 3.117 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485730889 1396122349 /nfs/dbraw/zinc/12/23/49/1396122349.db2.gz VCXJWLWTILTHMO-HNNXBMFYSA-N 2 2 342.487 3.259 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001493241045 1396338538 /nfs/dbraw/zinc/33/85/38/1396338538.db2.gz QMJSDKVWIUATHO-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001493241045 1396338539 /nfs/dbraw/zinc/33/85/39/1396338539.db2.gz QMJSDKVWIUATHO-MJGOQNOKSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689055955 1396855842 /nfs/dbraw/zinc/85/58/42/1396855842.db2.gz NMOSMZFTDJNMSW-QAPCUYQASA-N 2 2 334.508 3.058 10 0 EGAELP CC(C)=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001689059021 1396860762 /nfs/dbraw/zinc/86/07/62/1396860762.db2.gz RWTUGQRTUMENGJ-OALUTQOASA-N 2 2 346.519 3.236 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001498342442 1396969630 /nfs/dbraw/zinc/96/96/30/1396969630.db2.gz IRNQPPWLEIKQLB-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CC[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001498342442 1396969633 /nfs/dbraw/zinc/96/96/33/1396969633.db2.gz IRNQPPWLEIKQLB-AEFFLSMTSA-N 2 2 347.503 3.016 10 0 EGAELP 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ZINC001690541931 1404627472 /nfs/dbraw/zinc/62/74/72/1404627472.db2.gz VUNNCVPSVDHFQW-ULEDCTQBSA-N 2 2 332.492 3.208 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691304577 1405198608 /nfs/dbraw/zinc/19/86/08/1405198608.db2.gz CKXODJZNESOQEM-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691625321 1405363447 /nfs/dbraw/zinc/36/34/47/1405363447.db2.gz GCKVLVKHKOAXHL-SJORKVTESA-N 2 2 342.487 3.355 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691790428 1405500651 /nfs/dbraw/zinc/50/06/51/1405500651.db2.gz OWSBBJPQJGYDGX-IBGZPJMESA-N 2 2 340.471 3.209 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691790428 1405500652 /nfs/dbraw/zinc/50/06/52/1405500652.db2.gz OWSBBJPQJGYDGX-IBGZPJMESA-N 2 2 340.471 3.209 10 0 EGAELP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001691960909 1405678276 /nfs/dbraw/zinc/67/82/76/1405678276.db2.gz 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1413378381 /nfs/dbraw/zinc/37/83/81/1413378381.db2.gz RGJUXWHKGSLKHB-IBGZPJMESA-N 2 2 346.519 3.022 10 0 EGAELP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700017644 1413464249 /nfs/dbraw/zinc/46/42/49/1413464249.db2.gz QNUZYGANFZETSG-RTBURBONSA-N 2 2 346.519 3.165 10 0 EGAELP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700017644 1413464250 /nfs/dbraw/zinc/46/42/50/1413464250.db2.gz QNUZYGANFZETSG-RTBURBONSA-N 2 2 346.519 3.165 10 0 EGAELP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700222164 1413669804 /nfs/dbraw/zinc/66/98/04/1413669804.db2.gz DCTLVPTVKVFSQD-QGZVFWFLSA-N 2 2 346.519 3.385 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001700280940 1413726109 /nfs/dbraw/zinc/72/61/09/1413726109.db2.gz DCZXZIZCFFLHCL-WAYWQWQTSA-N 2 2 332.492 3.059 10 0 EGAELP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001700280940 1413726112 /nfs/dbraw/zinc/72/61/12/1413726112.db2.gz DCZXZIZCFFLHCL-WAYWQWQTSA-N 2 2 332.492 3.059 10 0 EGAELP CCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001700437181 1414005676 /nfs/dbraw/zinc/00/56/76/1414005676.db2.gz GILGXVPLDZIYIB-UHFFFAOYSA-N 2 2 334.508 3.086 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001700463867 1414066985 /nfs/dbraw/zinc/06/69/85/1414066985.db2.gz MYHUTVLJOSJBRZ-IEBWSBKVSA-N 2 2 346.519 3.407 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001700463867 1414066988 /nfs/dbraw/zinc/06/69/88/1414066988.db2.gz MYHUTVLJOSJBRZ-IEBWSBKVSA-N 2 2 346.519 3.407 10 0 EGAELP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700525158 1414184758 /nfs/dbraw/zinc/18/47/58/1414184758.db2.gz NIFCKORJGKBGMS-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700525158 1414184760 /nfs/dbraw/zinc/18/47/60/1414184760.db2.gz NIFCKORJGKBGMS-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700641037 1414307523 /nfs/dbraw/zinc/30/75/23/1414307523.db2.gz KEXSMQNRQDQILI-SZMVWBNQSA-N 2 2 346.519 3.043 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700641037 1414307529 /nfs/dbraw/zinc/30/75/29/1414307529.db2.gz KEXSMQNRQDQILI-SZMVWBNQSA-N 2 2 346.519 3.043 10 0 EGAELP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(C)(C)CC1 ZINC001700714965 1414374031 /nfs/dbraw/zinc/37/40/31/1414374031.db2.gz FUFKAKWNUACTBO-GOSISDBHSA-N 2 2 348.535 3.220 10 0 EGAELP C[C@@H](CC(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001700731467 1414395555 /nfs/dbraw/zinc/39/55/55/1414395555.db2.gz RQJQOMPKHMZWHJ-YJBOKZPZSA-N 2 2 346.519 3.097 10 0 EGAELP CCN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732799525 1428979736 /nfs/dbraw/zinc/97/97/36/1428979736.db2.gz LEIFEWWHVIBAIC-HNNXBMFYSA-N 2 2 348.878 3.126 10 0 EGAELP Cc1cc(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001732870779 1429020760 /nfs/dbraw/zinc/02/07/60/1429020760.db2.gz ZSZQBOHHCYHHRC-IHWYPQMZSA-N 2 2 340.452 3.009 10 0 EGAELP CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001732916194 1429045685 /nfs/dbraw/zinc/04/56/85/1429045685.db2.gz LQDBUZHFAXNXJT-MJSXRHKHSA-N 2 2 346.862 3.019 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001707243299 1417262507 /nfs/dbraw/zinc/26/25/07/1417262507.db2.gz FVKLSGFXPCTMFL-MRXNPFEDSA-N 2 2 334.508 3.058 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001713004941 1417559115 /nfs/dbraw/zinc/55/91/15/1417559115.db2.gz YYJDSXOXOHACFJ-HKUYNNGSSA-N 2 2 348.535 3.148 10 0 EGAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001713245810 1417831300 /nfs/dbraw/zinc/83/13/00/1417831300.db2.gz IFIKIHZVIKJGFW-LJQANCHMSA-N 2 2 346.519 3.072 10 0 EGAELP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001733176129 1429278316 /nfs/dbraw/zinc/27/83/16/1429278316.db2.gz HBPMZQUJHJHAJT-DNVCBOLYSA-N 2 2 340.471 3.016 10 0 EGAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713949028 1418734134 /nfs/dbraw/zinc/73/41/34/1418734134.db2.gz BJZNPXAATULZKF-WNOVQSLWSA-N 2 2 340.471 3.240 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714038147 1418827572 /nfs/dbraw/zinc/82/75/72/1418827572.db2.gz UDDXRKVMVVEOHH-INIZCTEOSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714038147 1418827576 /nfs/dbraw/zinc/82/75/76/1418827576.db2.gz UDDXRKVMVVEOHH-INIZCTEOSA-N 2 2 342.487 3.441 10 0 EGAELP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714071571 1418866719 /nfs/dbraw/zinc/86/67/19/1418866719.db2.gz QTIWWJBPLOKPIF-ROUUACIJSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001714092047 1418886025 /nfs/dbraw/zinc/88/60/25/1418886025.db2.gz OSSFUVQQHLVZCU-GOSISDBHSA-N 2 2 346.519 3.059 10 0 EGAELP CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1[NH2+]CC=C(C)C ZINC001733198204 1429300644 /nfs/dbraw/zinc/30/06/44/1429300644.db2.gz HWHNSTZJWNMXAH-IAGOWNOFSA-N 2 2 340.471 3.131 10 0 EGAELP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714403413 1419145971 /nfs/dbraw/zinc/14/59/71/1419145971.db2.gz MVEFWISEASUIOF-CVEARBPZSA-N 2 2 342.487 3.401 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+][C@H](C)c2ccccc2)c[nH+]1 ZINC001714475589 1419199185 /nfs/dbraw/zinc/19/91/85/1419199185.db2.gz QZLZXWLBWOWKAO-NVXWUHKLSA-N 2 2 342.487 3.172 10 0 EGAELP CC(C)CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001714494977 1419219246 /nfs/dbraw/zinc/21/92/46/1419219246.db2.gz CRLFGKZGNIUOBI-UHFFFAOYSA-N 2 2 328.460 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001714723201 1419483866 /nfs/dbraw/zinc/48/38/66/1419483866.db2.gz ROJADAWFCPFHLM-MJGOQNOKSA-N 2 2 342.487 3.280 10 0 EGAELP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001714821868 1419532311 /nfs/dbraw/zinc/53/23/11/1419532311.db2.gz JSNKSPPGNFNIKZ-HNNXBMFYSA-N 2 2 348.535 3.340 10 0 EGAELP C[NH+](C)[C@H](C(=O)NC1C[NH+](CCC2CCCCC2)C1)c1ccccc1 ZINC001714954336 1419695398 /nfs/dbraw/zinc/69/53/98/1419695398.db2.gz PBUJOBZMIWCYES-FQEVSTJZSA-N 2 2 343.515 3.060 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001715093764 1419834519 /nfs/dbraw/zinc/83/45/19/1419834519.db2.gz IRRIFEAMRCZLRD-KRWDZBQOSA-N 2 2 346.519 3.044 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001715370938 1420067541 /nfs/dbraw/zinc/06/75/41/1420067541.db2.gz DTOWUWVOHISBMK-MRXNPFEDSA-N 2 2 348.535 3.484 10 0 EGAELP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCC1 ZINC001715599249 1420264703 /nfs/dbraw/zinc/26/47/03/1420264703.db2.gz VENMNXYESSNYAK-SFHVURJKSA-N 2 2 328.460 3.097 10 0 EGAELP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715669769 1420287774 /nfs/dbraw/zinc/28/77/74/1420287774.db2.gz KVULFKHIGQXNQS-CGZBRXJRSA-N 2 2 340.471 3.016 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001715684478 1420293186 /nfs/dbraw/zinc/29/31/86/1420293186.db2.gz HZLNSGXTFPDUOY-LSDHHAIUSA-N 2 2 348.878 3.172 10 0 EGAELP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716175909 1420552079 /nfs/dbraw/zinc/55/20/79/1420552079.db2.gz ABMHEAYCAXHJSR-GJZGRUSLSA-N 2 2 348.878 3.172 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001716732390 1420891336 /nfs/dbraw/zinc/89/13/36/1420891336.db2.gz SIROTPFJKJDBOS-HXUWFJFHSA-N 2 2 340.471 3.063 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001716732390 1420891337 /nfs/dbraw/zinc/89/13/37/1420891337.db2.gz SIROTPFJKJDBOS-HXUWFJFHSA-N 2 2 340.471 3.063 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716785686 1420921566 /nfs/dbraw/zinc/92/15/66/1420921566.db2.gz NSKGFFIFUCILDX-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716785686 1420921569 /nfs/dbraw/zinc/92/15/69/1420921569.db2.gz NSKGFFIFUCILDX-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001716868440 1420996541 /nfs/dbraw/zinc/99/65/41/1420996541.db2.gz SOJLGGUGUNKEPS-HXUWFJFHSA-N 2 2 348.535 3.007 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)n1cc[nH+]c1 ZINC001716998342 1421067042 /nfs/dbraw/zinc/06/70/42/1421067042.db2.gz QIVFBXDBHCLSFN-FCGDIQPGSA-N 2 2 346.519 3.238 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)n1cc[nH+]c1 ZINC001716998342 1421067045 /nfs/dbraw/zinc/06/70/45/1421067045.db2.gz QIVFBXDBHCLSFN-FCGDIQPGSA-N 2 2 346.519 3.238 10 0 EGAELP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717207537 1421179043 /nfs/dbraw/zinc/17/90/43/1421179043.db2.gz FWNWTUMYIKAQEZ-HZPDHXFCSA-N 2 2 334.508 3.120 10 0 EGAELP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717207537 1421179044 /nfs/dbraw/zinc/17/90/44/1421179044.db2.gz FWNWTUMYIKAQEZ-HZPDHXFCSA-N 2 2 334.508 3.120 10 0 EGAELP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717207537 1421179047 /nfs/dbraw/zinc/17/90/47/1421179047.db2.gz FWNWTUMYIKAQEZ-HZPDHXFCSA-N 2 2 334.508 3.120 10 0 EGAELP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717207537 1421179049 /nfs/dbraw/zinc/17/90/49/1421179049.db2.gz FWNWTUMYIKAQEZ-HZPDHXFCSA-N 2 2 334.508 3.120 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH2+]CCC(C)(C)C)CC2)c[nH+]1 ZINC001717298120 1421241349 /nfs/dbraw/zinc/24/13/49/1421241349.db2.gz VRCIQPLOVLAZLE-UHFFFAOYSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001717330935 1421266074 /nfs/dbraw/zinc/26/60/74/1421266074.db2.gz BRMYRUZZNHAFHU-GDBMZVCRSA-N 2 2 328.460 3.336 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001717330935 1421266077 /nfs/dbraw/zinc/26/60/77/1421266077.db2.gz BRMYRUZZNHAFHU-GDBMZVCRSA-N 2 2 328.460 3.336 10 0 EGAELP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717447076 1421376552 /nfs/dbraw/zinc/37/65/52/1421376552.db2.gz NQTDVXIYRQATHB-UHFFFAOYSA-N 2 2 346.519 3.252 10 0 EGAELP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001717903825 1421700266 /nfs/dbraw/zinc/70/02/66/1421700266.db2.gz ABGXLVXFOLVZSW-ZWKOTPCHSA-N 2 2 348.535 3.172 10 0 EGAELP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717978711 1421749874 /nfs/dbraw/zinc/74/98/74/1421749874.db2.gz GYDRPAKNNPXFDJ-AEFFLSMTSA-N 2 2 334.508 3.097 10 0 EGAELP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)c1cccc2[nH+]ccn21 ZINC001722942071 1424269093 /nfs/dbraw/zinc/26/90/93/1424269093.db2.gz LQPBWAUPGAJQKL-IAGOWNOFSA-N 2 2 340.471 3.013 10 0 EGAELP O=C(NCC1([NH2+]CCC2=CCCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001723529669 1424452829 /nfs/dbraw/zinc/45/28/29/1424452829.db2.gz LJSRUZNFTKJKGO-UHFFFAOYSA-N 2 2 338.455 3.305 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)n1cc[nH+]c1 ZINC001723698442 1424535816 /nfs/dbraw/zinc/53/58/16/1424535816.db2.gz OOGPFFAUQDFBRP-GOSISDBHSA-N 2 2 346.519 3.193 10 0 EGAELP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001724588545 1424922655 /nfs/dbraw/zinc/92/26/55/1424922655.db2.gz NJQLPNWAGWOOMM-GOEBONIOSA-N 2 2 328.460 3.051 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001733569174 1429772029 /nfs/dbraw/zinc/77/20/29/1429772029.db2.gz HIXAZNYLUDVKLD-QAQDUYKDSA-N 2 2 348.535 3.291 10 0 EGAELP CCC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001725111826 1425567611 /nfs/dbraw/zinc/56/76/11/1425567611.db2.gz OBRDISJVPJKXMD-UWUBPMADSA-N 2 2 328.460 3.177 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]CC3=CCCCC3)ccn12 ZINC001725477615 1426151621 /nfs/dbraw/zinc/15/16/21/1426151621.db2.gz AEKVAZVXMZSFFV-HNNXBMFYSA-N 2 2 340.471 3.193 10 0 EGAELP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001725558041 1426223492 /nfs/dbraw/zinc/22/34/92/1426223492.db2.gz IVSQDDSUAPUPGY-HZPDHXFCSA-N 2 2 342.487 3.353 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725590553 1426246099 /nfs/dbraw/zinc/24/60/99/1426246099.db2.gz IGVZCNLDIFMIDN-DZGCQCFKSA-N 2 2 328.460 3.192 10 0 EGAELP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001725751619 1426429846 /nfs/dbraw/zinc/42/98/46/1426429846.db2.gz HPFYYKJYPNOWGH-SFHVURJKSA-N 2 2 348.535 3.054 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001731531037 1427521530 /nfs/dbraw/zinc/52/15/30/1427521530.db2.gz NWLZTPYQDMQMES-SFHVURJKSA-N 2 2 346.519 3.059 10 0 EGAELP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001731678014 1427726440 /nfs/dbraw/zinc/72/64/40/1427726440.db2.gz IOVJMCLAFZGNQS-KRWDZBQOSA-N 2 2 344.503 3.016 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001731920736 1428170729 /nfs/dbraw/zinc/17/07/29/1428170729.db2.gz JTAALMRIDLBKJE-LJQANCHMSA-N 2 2 348.535 3.489 10 0 EGAELP CC(C)C[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)n1cc[nH+]c1 ZINC001733718155 1429937367 /nfs/dbraw/zinc/93/73/67/1429937367.db2.gz HTERGFUNQOGLRI-GOSISDBHSA-N 2 2 346.519 3.289 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879924 1437706967 /nfs/dbraw/zinc/70/69/67/1437706967.db2.gz VWLMERBWEHNOLV-SFHVURJKSA-N 2 2 348.535 3.316 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879924 1437706968 /nfs/dbraw/zinc/70/69/68/1437706968.db2.gz VWLMERBWEHNOLV-SFHVURJKSA-N 2 2 348.535 3.316 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001734041801 1437830428 /nfs/dbraw/zinc/83/04/28/1437830428.db2.gz AGXMCUCNIVAJBV-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001734041801 1437830430 /nfs/dbraw/zinc/83/04/30/1437830430.db2.gz AGXMCUCNIVAJBV-FUHWJXTLSA-N 2 2 347.503 3.016 10 0 EGAELP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001734241530 1437956299 /nfs/dbraw/zinc/95/62/99/1437956299.db2.gz FNXYIEXTVAWVKE-IAGOWNOFSA-N 2 2 348.535 3.146 10 0 EGAELP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001734322675 1438049359 /nfs/dbraw/zinc/04/93/59/1438049359.db2.gz JKKIROYQIPEKND-HNNXBMFYSA-N 2 2 330.476 3.273 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCCC(C)C)[C@H]3C)ccn12 ZINC001734392055 1438079108 /nfs/dbraw/zinc/07/91/08/1438079108.db2.gz OWXIMYCPVPTTMQ-SJLPKXTDSA-N 2 2 342.487 3.272 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001734577728 1438170588 /nfs/dbraw/zinc/17/05/88/1438170588.db2.gz MXZAKGKDKYZOOR-JKSUJKDBSA-N 2 2 348.535 3.160 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cs1 ZINC000368104796 168311921 /nfs/dbraw/zinc/31/19/21/168311921.db2.gz JRIIVGDSGSDXLK-SCZZXKLOSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cs1 ZINC000368104796 168311924 /nfs/dbraw/zinc/31/19/24/168311924.db2.gz JRIIVGDSGSDXLK-SCZZXKLOSA-N 2 2 326.263 3.442 10 0 EGAELP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361043 282338892 /nfs/dbraw/zinc/33/88/92/282338892.db2.gz LJPKZKZOCSOKDR-GXTWGEPZSA-N 2 2 331.489 3.320 10 0 EGAELP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000338361043 282338893 /nfs/dbraw/zinc/33/88/93/282338893.db2.gz LJPKZKZOCSOKDR-GXTWGEPZSA-N 2 2 331.489 3.320 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000178317386 232134780 /nfs/dbraw/zinc/13/47/80/232134780.db2.gz SWRNSWZVROPMOC-LJQANCHMSA-N 2 2 335.455 3.101 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000178317386 232134784 /nfs/dbraw/zinc/13/47/84/232134784.db2.gz SWRNSWZVROPMOC-LJQANCHMSA-N 2 2 335.455 3.101 10 0 EGAELP Cc1cc(NCC[NH+]2CCOCC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570968 213352716 /nfs/dbraw/zinc/35/27/16/213352716.db2.gz JTBCTOZFVRLXNV-UHFFFAOYSA-N 2 2 339.361 3.306 10 0 EGAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000180935521 234034519 /nfs/dbraw/zinc/03/45/19/234034519.db2.gz GDXJAWTUAYWNGE-JKSUJKDBSA-N 2 2 327.428 3.266 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000130628523 223166140 /nfs/dbraw/zinc/16/61/40/223166140.db2.gz SRSRYAGJPMSBQL-KBXCAEBGSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000130628523 223166141 /nfs/dbraw/zinc/16/61/41/223166141.db2.gz SRSRYAGJPMSBQL-KBXCAEBGSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628523 223166143 /nfs/dbraw/zinc/16/61/43/223166143.db2.gz SRSRYAGJPMSBQL-KBXCAEBGSA-N 2 2 332.879 3.440 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+]1C ZINC000130628523 223166145 /nfs/dbraw/zinc/16/61/45/223166145.db2.gz SRSRYAGJPMSBQL-KBXCAEBGSA-N 2 2 332.879 3.440 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636113 243141447 /nfs/dbraw/zinc/14/14/47/243141447.db2.gz RKAQJQIBSRGGMY-MAUKXSAKSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636113 243141451 /nfs/dbraw/zinc/14/14/51/243141451.db2.gz RKAQJQIBSRGGMY-MAUKXSAKSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636113 243141456 /nfs/dbraw/zinc/14/14/56/243141456.db2.gz RKAQJQIBSRGGMY-MAUKXSAKSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636113 243141462 /nfs/dbraw/zinc/14/14/62/243141462.db2.gz RKAQJQIBSRGGMY-MAUKXSAKSA-N 2 2 349.906 3.497 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462371 217228364 /nfs/dbraw/zinc/22/83/64/217228364.db2.gz ZCCQMJRYIPLTQM-WBMJQRKESA-N 2 2 337.533 3.274 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462371 217228366 /nfs/dbraw/zinc/22/83/66/217228366.db2.gz ZCCQMJRYIPLTQM-WBMJQRKESA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462371 217228368 /nfs/dbraw/zinc/22/83/68/217228368.db2.gz ZCCQMJRYIPLTQM-WBMJQRKESA-N 2 2 337.533 3.274 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000079462371 217228369 /nfs/dbraw/zinc/22/83/69/217228369.db2.gz ZCCQMJRYIPLTQM-WBMJQRKESA-N 2 2 337.533 3.274 10 0 EGAELP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644276 218238117 /nfs/dbraw/zinc/23/81/17/218238117.db2.gz LRHRRPZBJKBUAU-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644276 218238119 /nfs/dbraw/zinc/23/81/19/218238119.db2.gz LRHRRPZBJKBUAU-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644276 218238122 /nfs/dbraw/zinc/23/81/22/218238122.db2.gz LRHRRPZBJKBUAU-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000093644276 218238125 /nfs/dbraw/zinc/23/81/25/218238125.db2.gz LRHRRPZBJKBUAU-GXTWGEPZSA-N 2 2 328.403 3.211 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000093644006 218238478 /nfs/dbraw/zinc/23/84/78/218238478.db2.gz PPVHYHAOIBEGBX-JSGCOSHPSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000093644006 218238479 /nfs/dbraw/zinc/23/84/79/218238479.db2.gz PPVHYHAOIBEGBX-JSGCOSHPSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644006 218238481 /nfs/dbraw/zinc/23/84/81/218238481.db2.gz PPVHYHAOIBEGBX-JSGCOSHPSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644006 218238482 /nfs/dbraw/zinc/23/84/82/218238482.db2.gz PPVHYHAOIBEGBX-JSGCOSHPSA-N 2 2 334.414 3.269 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000267495867 251109232 /nfs/dbraw/zinc/10/92/32/251109232.db2.gz QDSBYQXALSOZJD-GOSISDBHSA-N 2 2 343.471 3.083 10 0 EGAELP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000268768896 252218893 /nfs/dbraw/zinc/21/88/93/252218893.db2.gz OXPRBNAFVNVJLC-LJQANCHMSA-N 2 2 334.423 3.443 10 0 EGAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573740 141016312 /nfs/dbraw/zinc/01/63/12/141016312.db2.gz LLXUQMJWSVETSL-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573740 141016313 /nfs/dbraw/zinc/01/63/13/141016313.db2.gz LLXUQMJWSVETSL-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573740 141016314 /nfs/dbraw/zinc/01/63/14/141016314.db2.gz LLXUQMJWSVETSL-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000246573740 141016315 /nfs/dbraw/zinc/01/63/15/141016315.db2.gz LLXUQMJWSVETSL-KBXCAEBGSA-N 2 2 347.890 3.227 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742601 141030445 /nfs/dbraw/zinc/03/04/45/141030445.db2.gz MVLYXGRGFOKNNY-IRXDYDNUSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742601 141030448 /nfs/dbraw/zinc/03/04/48/141030448.db2.gz MVLYXGRGFOKNNY-IRXDYDNUSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742601 141030450 /nfs/dbraw/zinc/03/04/50/141030450.db2.gz MVLYXGRGFOKNNY-IRXDYDNUSA-N 2 2 331.504 3.471 10 0 EGAELP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742601 141030452 /nfs/dbraw/zinc/03/04/52/141030452.db2.gz MVLYXGRGFOKNNY-IRXDYDNUSA-N 2 2 331.504 3.471 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000356819937 141348538 /nfs/dbraw/zinc/34/85/38/141348538.db2.gz FGZPHJBFOLULDM-DOTOQJQBSA-N 2 2 342.487 3.066 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000356819937 141348540 /nfs/dbraw/zinc/34/85/40/141348540.db2.gz FGZPHJBFOLULDM-DOTOQJQBSA-N 2 2 342.487 3.066 10 0 EGAELP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)n2C ZINC000187582717 144161003 /nfs/dbraw/zinc/16/10/03/144161003.db2.gz KUZVBRZMZOTFNA-UHFFFAOYSA-N 2 2 349.482 3.031 10 0 EGAELP COc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000192439263 144174364 /nfs/dbraw/zinc/17/43/64/144174364.db2.gz SIPJZMILWFBUMC-GOSISDBHSA-N 2 2 337.467 3.206 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343353 292256624 /nfs/dbraw/zinc/25/66/24/292256624.db2.gz GYGMNAAYEFJSFR-BJLQDIEVSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343353 292256625 /nfs/dbraw/zinc/25/66/25/292256625.db2.gz GYGMNAAYEFJSFR-BJLQDIEVSA-N 3 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343353 292256626 /nfs/dbraw/zinc/25/66/26/292256626.db2.gz GYGMNAAYEFJSFR-BJLQDIEVSA-N 2 2 326.488 3.314 10 0 EGAELP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000358343353 292256627 /nfs/dbraw/zinc/25/66/27/292256627.db2.gz GYGMNAAYEFJSFR-BJLQDIEVSA-N 2 2 326.488 3.314 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336787022 154212549 /nfs/dbraw/zinc/21/25/49/154212549.db2.gz DCBAOBLSKDMQHJ-JXFKEZNVSA-N 2 2 340.467 3.456 10 0 EGAELP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336787022 154212552 /nfs/dbraw/zinc/21/25/52/154212552.db2.gz DCBAOBLSKDMQHJ-JXFKEZNVSA-N 2 2 340.467 3.456 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504055 154387386 /nfs/dbraw/zinc/38/73/86/154387386.db2.gz XUARNFBTCUBYSL-SJORKVTESA-N 2 2 346.519 3.094 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504055 154387389 /nfs/dbraw/zinc/38/73/89/154387389.db2.gz XUARNFBTCUBYSL-SJORKVTESA-N 2 2 346.519 3.094 10 0 EGAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000352611653 156379145 /nfs/dbraw/zinc/37/91/45/156379145.db2.gz JEWHBFBVIBKQQU-IEBWSBKVSA-N 2 2 331.504 3.435 10 0 EGAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000352611653 156379147 /nfs/dbraw/zinc/37/91/47/156379147.db2.gz JEWHBFBVIBKQQU-IEBWSBKVSA-N 2 2 331.504 3.435 10 0 EGAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251429 162148909 /nfs/dbraw/zinc/14/89/09/162148909.db2.gz QOWQHYXCMHWYCX-FQEVSTJZSA-N 2 2 346.434 3.110 10 0 EGAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251429 162148916 /nfs/dbraw/zinc/14/89/16/162148916.db2.gz QOWQHYXCMHWYCX-FQEVSTJZSA-N 2 2 346.434 3.110 10 0 EGAELP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000131184814 162394435 /nfs/dbraw/zinc/39/44/35/162394435.db2.gz NNHFBWOBHRQVTP-HXUWFJFHSA-N 2 2 347.572 3.070 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000248444339 163005763 /nfs/dbraw/zinc/00/57/63/163005763.db2.gz WCOQWGZDFXAUPN-IXDOHACOSA-N 2 2 340.471 3.027 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248806719 163035211 /nfs/dbraw/zinc/03/52/11/163035211.db2.gz BPWMJFYAVJYHPT-AZUAARDMSA-N 2 2 325.456 3.308 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248806719 163035212 /nfs/dbraw/zinc/03/52/12/163035212.db2.gz BPWMJFYAVJYHPT-AZUAARDMSA-N 2 2 325.456 3.308 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000249034567 163051766 /nfs/dbraw/zinc/05/17/66/163051766.db2.gz MGHNKWFMYCZHJA-SJORKVTESA-N 2 2 346.381 3.235 10 0 EGAELP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000249034567 163051768 /nfs/dbraw/zinc/05/17/68/163051768.db2.gz MGHNKWFMYCZHJA-SJORKVTESA-N 2 2 346.381 3.235 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878652 163085550 /nfs/dbraw/zinc/08/55/50/163085550.db2.gz HHWALQAQANTSQX-BLLLJJGKSA-N 2 2 332.448 3.109 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878652 163085553 /nfs/dbraw/zinc/08/55/53/163085553.db2.gz HHWALQAQANTSQX-BLLLJJGKSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878652 163085557 /nfs/dbraw/zinc/08/55/57/163085557.db2.gz HHWALQAQANTSQX-BLLLJJGKSA-N 2 2 332.448 3.109 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cc(C)oc3C)o2)[C@@H](C)C1 ZINC000336878652 163085561 /nfs/dbraw/zinc/08/55/61/163085561.db2.gz HHWALQAQANTSQX-BLLLJJGKSA-N 2 2 332.448 3.109 10 0 EGAELP COc1cccc([C@H]2[C@H](NCC[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000338634755 163299172 /nfs/dbraw/zinc/29/91/72/163299172.db2.gz ZPJURDOILAMSQQ-RTWAWAEBSA-N 2 2 343.515 3.049 10 0 EGAELP COc1cccc([C@H]2[C@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000338634755 163299174 /nfs/dbraw/zinc/29/91/74/163299174.db2.gz ZPJURDOILAMSQQ-RTWAWAEBSA-N 2 2 343.515 3.049 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343954034 164072584 /nfs/dbraw/zinc/07/25/84/164072584.db2.gz ARYAZNCXQFMOML-MRXNPFEDSA-N 2 2 344.528 3.293 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343954034 164072586 /nfs/dbraw/zinc/07/25/86/164072586.db2.gz ARYAZNCXQFMOML-MRXNPFEDSA-N 2 2 344.528 3.293 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C[C@@H]3CC=CCC3)c2cc1C ZINC000344029818 164085966 /nfs/dbraw/zinc/08/59/66/164085966.db2.gz AYQCAGSTPKFWAF-QZTJIDSGSA-N 2 2 327.472 3.302 10 0 EGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C[C@@H]3CC=CCC3)c2cc1C ZINC000344029818 164085968 /nfs/dbraw/zinc/08/59/68/164085968.db2.gz AYQCAGSTPKFWAF-QZTJIDSGSA-N 2 2 327.472 3.302 10 0 EGAELP CCc1ccc([C@@H](COC)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000344236125 164133383 /nfs/dbraw/zinc/13/33/83/164133383.db2.gz VWVMLWNOCZIQOZ-GOSISDBHSA-N 2 2 340.427 3.208 10 0 EGAELP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)c2)c[nH+]1 ZINC000344335090 164159647 /nfs/dbraw/zinc/15/96/47/164159647.db2.gz QXPAFKRUJHZFKC-XJKSGUPXSA-N 2 2 335.498 3.078 10 0 EGAELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229518 164360462 /nfs/dbraw/zinc/36/04/62/164360462.db2.gz VGYBIYVMRRHAPH-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229518 164360463 /nfs/dbraw/zinc/36/04/63/164360463.db2.gz VGYBIYVMRRHAPH-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229518 164360464 /nfs/dbraw/zinc/36/04/64/164360464.db2.gz VGYBIYVMRRHAPH-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346229518 164360465 /nfs/dbraw/zinc/36/04/65/164360465.db2.gz VGYBIYVMRRHAPH-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP COc1cccc2c1CC[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000346367300 164375031 /nfs/dbraw/zinc/37/50/31/164375031.db2.gz XOISKPVDPHVATQ-UHFFFAOYSA-N 2 2 334.423 3.143 10 0 EGAELP COc1cccc2c1CC[N@@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000346367300 164375032 /nfs/dbraw/zinc/37/50/32/164375032.db2.gz XOISKPVDPHVATQ-UHFFFAOYSA-N 2 2 334.423 3.143 10 0 EGAELP COCc1cnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352081904 165224724 /nfs/dbraw/zinc/22/47/24/165224724.db2.gz HWCUTFVBXHMGCM-NVXWUHKLSA-N 2 2 345.512 3.290 10 0 EGAELP COCc1cnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352081904 165224729 /nfs/dbraw/zinc/22/47/29/165224729.db2.gz HWCUTFVBXHMGCM-NVXWUHKLSA-N 2 2 345.512 3.290 10 0 EGAELP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2OC(F)(F)F)s1 ZINC000352243009 165303567 /nfs/dbraw/zinc/30/35/67/165303567.db2.gz VMGUDANHJGOVAC-UHFFFAOYSA-N 2 2 345.390 3.393 10 0 EGAELP COc1cc2c(NCc3ccc[nH+]c3N(C)C)cc[nH+]c2cc1F ZINC000359450559 167159805 /nfs/dbraw/zinc/15/98/05/167159805.db2.gz TUZDZPLLROWEKC-UHFFFAOYSA-N 2 2 326.375 3.456 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433604 167327369 /nfs/dbraw/zinc/32/73/69/167327369.db2.gz MEXFRRLGBCZCMO-FTRWYGJKSA-N 2 2 325.456 3.261 10 0 EGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000360433604 167327370 /nfs/dbraw/zinc/32/73/70/167327370.db2.gz MEXFRRLGBCZCMO-FTRWYGJKSA-N 2 2 325.456 3.261 10 0 EGAELP COc1ncccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367066817 168174768 /nfs/dbraw/zinc/17/47/68/168174768.db2.gz OIPKRACMVIREJS-HNNXBMFYSA-N 2 2 326.444 3.003 10 0 EGAELP Cc1ncc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000123692394 222318350 /nfs/dbraw/zinc/31/83/50/222318350.db2.gz LYILFWPTBGSGNI-UHFFFAOYSA-N 2 2 333.476 3.387 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488796 265380158 /nfs/dbraw/zinc/38/01/58/265380158.db2.gz BDISNDZHTMGOMQ-DPZZJQGRSA-N 2 2 347.934 3.455 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488796 265380160 /nfs/dbraw/zinc/38/01/60/265380160.db2.gz BDISNDZHTMGOMQ-DPZZJQGRSA-N 2 2 347.934 3.455 10 0 EGAELP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278893058 275285157 /nfs/dbraw/zinc/28/51/57/275285157.db2.gz DXUMBMBGLBFFTP-BJJXKVORSA-N 2 2 332.473 3.072 10 0 EGAELP CCc1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(C)[nH+]1 ZINC000286597076 276021163 /nfs/dbraw/zinc/02/11/63/276021163.db2.gz XILFPGROZQBLJW-OAHLLOKOSA-N 2 2 325.460 3.264 10 0 EGAELP COc1cc(OC)c(C[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000289345535 276325185 /nfs/dbraw/zinc/32/51/85/276325185.db2.gz WTBBBKXFECDZHD-UHFFFAOYSA-N 2 2 330.428 3.138 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091674751 276334503 /nfs/dbraw/zinc/33/45/03/276334503.db2.gz YBYUMDWYQCBYPO-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091674751 276334505 /nfs/dbraw/zinc/33/45/05/276334505.db2.gz YBYUMDWYQCBYPO-QAPCUYQASA-N 2 2 349.906 3.497 10 0 EGAELP COc1ccccc1N1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000290335198 276481740 /nfs/dbraw/zinc/48/17/40/276481740.db2.gz KOXOSYYLLXADMF-SFHVURJKSA-N 2 2 325.456 3.200 10 0 EGAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000358350062 288125325 /nfs/dbraw/zinc/12/53/25/288125325.db2.gz FGAVMUXGZUBDCN-RPTUDFQQSA-N 2 2 333.907 3.158 10 0 EGAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000358350062 288125326 /nfs/dbraw/zinc/12/53/26/288125326.db2.gz FGAVMUXGZUBDCN-RPTUDFQQSA-N 2 2 333.907 3.158 10 0 EGAELP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCc1cn(C)c[nH+]1)CC2 ZINC000414128763 309062571 /nfs/dbraw/zinc/06/25/71/309062571.db2.gz SPYJNBINSUXVIV-HNNXBMFYSA-N 2 2 334.261 3.311 10 0 EGAELP C(=C\c1ccccc1)\CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000255506186 308052093 /nfs/dbraw/zinc/05/20/93/308052093.db2.gz OGLQOXKIKXFRAM-DAXSKMNVSA-N 2 2 328.379 3.336 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000414402803 309077962 /nfs/dbraw/zinc/07/79/62/309077962.db2.gz ZDNYEWHQOBAQIG-INIZCTEOSA-N 2 2 342.405 3.168 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000414402803 309077963 /nfs/dbraw/zinc/07/79/63/309077963.db2.gz ZDNYEWHQOBAQIG-INIZCTEOSA-N 2 2 342.405 3.168 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)c1 ZINC000313266669 308764873 /nfs/dbraw/zinc/76/48/73/308764873.db2.gz SFFFLWDFEHZLKN-UHFFFAOYSA-N 2 2 334.261 3.261 10 0 EGAELP Cn1c[nH+]c(CC[NH2+]C2CC(c3cccc(Br)c3)C2)c1 ZINC000313259724 308764888 /nfs/dbraw/zinc/76/48/88/308764888.db2.gz FLWARUXARKPSEO-UHFFFAOYSA-N 2 2 334.261 3.261 10 0 EGAELP CCCOc1c(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000415014726 309114400 /nfs/dbraw/zinc/11/44/00/309114400.db2.gz XFESNLJYLLKLQH-WDEREUQCSA-N 2 2 345.281 3.072 10 0 EGAELP COc1cccc(Oc2ncccc2C[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000415091453 309119643 /nfs/dbraw/zinc/11/96/43/309119643.db2.gz ZGSOIRIGMBCECG-INIZCTEOSA-N 2 2 329.444 3.346 10 0 EGAELP CC[N@@H+]1CC[C@H](NCC[NH2+]C(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108862 309120889 /nfs/dbraw/zinc/12/08/89/309120889.db2.gz PHSBTRSJHXSTGK-RDJZCZTQSA-N 2 2 343.437 3.217 10 0 EGAELP CC[N@H+]1CC[C@H](NCC[NH2+]C(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415108862 309120890 /nfs/dbraw/zinc/12/08/90/309120890.db2.gz PHSBTRSJHXSTGK-RDJZCZTQSA-N 2 2 343.437 3.217 10 0 EGAELP [NH3+][C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415121968 309121942 /nfs/dbraw/zinc/12/19/42/309121942.db2.gz IYZAIOKDNRBTDR-VQTJNVASSA-N 2 2 328.431 3.411 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415121968 309121943 /nfs/dbraw/zinc/12/19/43/309121943.db2.gz IYZAIOKDNRBTDR-VQTJNVASSA-N 2 2 328.431 3.411 10 0 EGAELP Cc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC000415284313 309129785 /nfs/dbraw/zinc/12/97/85/309129785.db2.gz OYXUGLQRSLHJTF-SJORKVTESA-N 2 2 342.418 3.186 10 0 EGAELP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000415957288 309151124 /nfs/dbraw/zinc/15/11/24/309151124.db2.gz PBHDYAZCCXDXMO-YJBOKZPZSA-N 2 2 341.459 3.108 10 0 EGAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420377211 309285009 /nfs/dbraw/zinc/28/50/09/309285009.db2.gz PMOGUJDJTNVEAV-QFIPXVFZSA-N 2 2 349.478 3.368 10 0 EGAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420377211 309285010 /nfs/dbraw/zinc/28/50/10/309285010.db2.gz PMOGUJDJTNVEAV-QFIPXVFZSA-N 2 2 349.478 3.368 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420396080 309286373 /nfs/dbraw/zinc/28/63/73/309286373.db2.gz LPDVXAYRFXBSMT-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420396080 309286374 /nfs/dbraw/zinc/28/63/74/309286374.db2.gz LPDVXAYRFXBSMT-WMLDXEAASA-N 2 2 335.879 3.051 10 0 EGAELP CC[NH+](CC)CCCC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000420948237 309303728 /nfs/dbraw/zinc/30/37/28/309303728.db2.gz PLTJXHACSUNRQY-UHFFFAOYSA-N 2 2 326.916 3.408 10 0 EGAELP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000422631592 309363040 /nfs/dbraw/zinc/36/30/40/309363040.db2.gz FSJLOWSYEIDSHJ-UHFFFAOYSA-N 2 2 342.874 3.433 10 0 EGAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000422725217 309365198 /nfs/dbraw/zinc/36/51/98/309365198.db2.gz AVWJSJQURIOCBU-SJORKVTESA-N 2 2 340.870 3.113 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422791643 309368556 /nfs/dbraw/zinc/36/85/56/309368556.db2.gz WJHTXRZVJPJWMD-PMACEKPBSA-N 3 2 342.487 3.063 10 0 EGAELP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422795048 309368602 /nfs/dbraw/zinc/36/86/02/309368602.db2.gz ZMQWANUWDOYWRM-SFTDATJTSA-N 3 2 345.531 3.200 10 0 EGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000422836700 309371080 /nfs/dbraw/zinc/37/10/80/309371080.db2.gz RSYZAJLANUIASG-PCCBWWKXSA-N 3 2 338.499 3.332 10 0 EGAELP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1c[nH+]ccc1N ZINC000422927932 309376697 /nfs/dbraw/zinc/37/66/97/309376697.db2.gz HWLNZTGJIYJWDZ-LLVKDONJSA-N 2 2 333.819 3.160 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOc2ccc(F)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422941528 309377278 /nfs/dbraw/zinc/37/72/78/309377278.db2.gz OVRBFDCJBKMONW-UXHICEINSA-N 2 2 344.430 3.296 10 0 EGAELP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)c2ccccc21 ZINC000422990589 309379886 /nfs/dbraw/zinc/37/98/86/309379886.db2.gz NUSQXMCBNWIIMW-BRWVUGGUSA-N 2 2 347.256 3.217 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](C)c2nccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000423032311 309382040 /nfs/dbraw/zinc/38/20/40/309382040.db2.gz FGAUAVWOIJHIMC-XYPHTWIQSA-N 2 2 331.485 3.338 10 0 EGAELP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1F ZINC000423044613 309382758 /nfs/dbraw/zinc/38/27/58/309382758.db2.gz BRLSEFVVOILEFU-DOTOQJQBSA-N 2 2 340.870 3.113 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423134332 309387635 /nfs/dbraw/zinc/38/76/35/309387635.db2.gz LYTIDWDBTOZVDH-JBACZVJFSA-N 2 2 346.515 3.267 10 0 EGAELP CSc1ccc([C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423148526 309388348 /nfs/dbraw/zinc/38/83/48/309388348.db2.gz VTRUICSJRBMZEE-ACJLOTCBSA-N 2 2 330.501 3.170 10 0 EGAELP CSc1ccc([C@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423148526 309388349 /nfs/dbraw/zinc/38/83/49/309388349.db2.gz VTRUICSJRBMZEE-ACJLOTCBSA-N 2 2 330.501 3.170 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423176500 309389206 /nfs/dbraw/zinc/38/92/06/309389206.db2.gz GDBGVFKUKXXDGA-VQTJNVASSA-N 2 2 339.483 3.451 10 0 EGAELP c1c[nH]c([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCCCC2)n1 ZINC000423191276 309389967 /nfs/dbraw/zinc/38/99/67/309389967.db2.gz SOKUCNKZFHWWIJ-SFHVURJKSA-N 2 2 327.476 3.196 10 0 EGAELP Clc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423234116 309391681 /nfs/dbraw/zinc/39/16/81/309391681.db2.gz PCFAZDQZAPVFTR-KRWDZBQOSA-N 2 2 328.847 3.244 10 0 EGAELP Cn1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccc(F)cc2)n1 ZINC000423386031 309398241 /nfs/dbraw/zinc/39/82/41/309398241.db2.gz LTCCZQHSOJNFFR-HXUWFJFHSA-N 2 2 336.414 3.042 10 0 EGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449386519 310057943 /nfs/dbraw/zinc/05/79/43/310057943.db2.gz ITQHNOXYRAXCSD-BHIYHBOVSA-N 2 2 336.907 3.413 10 0 EGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449386519 310057944 /nfs/dbraw/zinc/05/79/44/310057944.db2.gz ITQHNOXYRAXCSD-BHIYHBOVSA-N 2 2 336.907 3.413 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3CCO)CC2)cc1 ZINC000449389936 310058144 /nfs/dbraw/zinc/05/81/44/310058144.db2.gz FDXOZVIXOUWYBG-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP COc1ccc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3CCO)CC2)cc1 ZINC000449389936 310058145 /nfs/dbraw/zinc/05/81/45/310058145.db2.gz FDXOZVIXOUWYBG-LYBXBRPPSA-N 2 2 346.515 3.158 10 0 EGAELP CCC[NH+]1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000449403426 310059161 /nfs/dbraw/zinc/05/91/61/310059161.db2.gz WHEZWGBMUILFAY-UHFFFAOYSA-N 2 2 332.311 3.178 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000449489053 310066215 /nfs/dbraw/zinc/06/62/15/310066215.db2.gz NWHTYXIPPQSYCK-HKUYNNGSSA-N 2 2 334.479 3.253 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449489053 310066216 /nfs/dbraw/zinc/06/62/16/310066216.db2.gz NWHTYXIPPQSYCK-HKUYNNGSSA-N 2 2 334.479 3.253 10 0 EGAELP COc1ccc2c(c1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000449529717 310069594 /nfs/dbraw/zinc/06/95/94/310069594.db2.gz ZGNUWLWWTLAMKL-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP COc1ccc2c(c1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000449529717 310069595 /nfs/dbraw/zinc/06/95/95/310069595.db2.gz ZGNUWLWWTLAMKL-UHFFFAOYSA-N 2 2 341.436 3.337 10 0 EGAELP CCC[C@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449966096 310096492 /nfs/dbraw/zinc/09/64/92/310096492.db2.gz PCZNIQYQHVJHSM-OALUTQOASA-N 2 2 349.563 3.269 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206870 310264131 /nfs/dbraw/zinc/26/41/31/310264131.db2.gz VMENPIQXETWZKQ-YLJYHZDGSA-N 2 2 346.515 3.071 10 0 EGAELP COC1([C@@H](C)[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000453206870 310264132 /nfs/dbraw/zinc/26/41/32/310264132.db2.gz VMENPIQXETWZKQ-YLJYHZDGSA-N 2 2 346.515 3.071 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251795 310266891 /nfs/dbraw/zinc/26/68/91/310266891.db2.gz BMFBIOCSTSGFIG-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251795 310266892 /nfs/dbraw/zinc/26/68/92/310266892.db2.gz BMFBIOCSTSGFIG-UKRRQHHQSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267238 310268204 /nfs/dbraw/zinc/26/82/04/310268204.db2.gz OYUUDVOEFXYPRE-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(C(F)(F)F)c1 ZINC000453267238 310268205 /nfs/dbraw/zinc/26/82/05/310268205.db2.gz OYUUDVOEFXYPRE-CJNGLKHVSA-N 2 2 330.394 3.203 10 0 EGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453273244 310268491 /nfs/dbraw/zinc/26/84/91/310268491.db2.gz VNGJIDWYDOTMMO-GJZGRUSLSA-N 2 2 342.430 3.094 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH+]3C[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000509328206 312113915 /nfs/dbraw/zinc/11/39/15/312113915.db2.gz QBWVEZAUTNMQLF-WOJBJXKFSA-N 2 2 327.516 3.321 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510994197 312152606 /nfs/dbraw/zinc/15/26/06/312152606.db2.gz AGRFRZUHPXOYRD-QMMLZNLJSA-N 2 2 341.543 3.359 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510994197 312152609 /nfs/dbraw/zinc/15/26/09/312152609.db2.gz AGRFRZUHPXOYRD-QMMLZNLJSA-N 2 2 341.543 3.359 10 0 EGAELP CCCCc1noc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000516030857 312306351 /nfs/dbraw/zinc/30/63/51/312306351.db2.gz ZRHCEPZCDVKUMY-AWEZNQCLSA-N 2 2 329.448 3.445 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455580 313097222 /nfs/dbraw/zinc/09/72/22/313097222.db2.gz ICFIKHUHFYSKGN-HRAATJIYSA-N 2 2 342.458 3.318 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455580 313097224 /nfs/dbraw/zinc/09/72/24/313097224.db2.gz ICFIKHUHFYSKGN-HRAATJIYSA-N 2 2 342.458 3.318 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455581 313097620 /nfs/dbraw/zinc/09/76/20/313097620.db2.gz ICFIKHUHFYSKGN-IERDGZPVSA-N 2 2 342.458 3.318 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455581 313097623 /nfs/dbraw/zinc/09/76/23/313097623.db2.gz ICFIKHUHFYSKGN-IERDGZPVSA-N 2 2 342.458 3.318 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455583 313097648 /nfs/dbraw/zinc/09/76/48/313097648.db2.gz ICFIKHUHFYSKGN-KKSFZXQISA-N 2 2 342.458 3.318 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000528455583 313097652 /nfs/dbraw/zinc/09/76/52/313097652.db2.gz ICFIKHUHFYSKGN-KKSFZXQISA-N 2 2 342.458 3.318 10 0 EGAELP OCc1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000528491210 313103523 /nfs/dbraw/zinc/10/35/23/313103523.db2.gz IZJLLLOISAKABL-INIZCTEOSA-N 2 2 343.446 3.230 10 0 EGAELP OCc1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000528491210 313103526 /nfs/dbraw/zinc/10/35/26/313103526.db2.gz IZJLLLOISAKABL-INIZCTEOSA-N 2 2 343.446 3.230 10 0 EGAELP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)cc1OC ZINC000529525426 313342632 /nfs/dbraw/zinc/34/26/32/313342632.db2.gz IJLMINXTVNQVJJ-UHFFFAOYSA-N 2 2 333.407 3.336 10 0 EGAELP COc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000535851019 314079940 /nfs/dbraw/zinc/07/99/40/314079940.db2.gz AIGSCOPROLRPQV-DAYGRLMNSA-N 2 2 341.455 3.298 10 0 EGAELP COc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000535851019 314079943 /nfs/dbraw/zinc/07/99/43/314079943.db2.gz AIGSCOPROLRPQV-DAYGRLMNSA-N 2 2 341.455 3.298 10 0 EGAELP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H](C)C1 ZINC000537456032 314182895 /nfs/dbraw/zinc/18/28/95/314182895.db2.gz GIEGAHACDWKDBU-IEBWSBKVSA-N 2 2 346.519 3.231 10 0 EGAELP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H](C)C1 ZINC000537456032 314182898 /nfs/dbraw/zinc/18/28/98/314182898.db2.gz GIEGAHACDWKDBU-IEBWSBKVSA-N 2 2 346.519 3.231 10 0 EGAELP Cc1nc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000563899189 316088859 /nfs/dbraw/zinc/08/88/59/316088859.db2.gz QXDZRSBMAFEILU-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP Cc1nc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000563899189 316088863 /nfs/dbraw/zinc/08/88/63/316088863.db2.gz QXDZRSBMAFEILU-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000563899189 316088867 /nfs/dbraw/zinc/08/88/67/316088867.db2.gz QXDZRSBMAFEILU-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP Cc1[nH]c(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000563899189 316088870 /nfs/dbraw/zinc/08/88/70/316088870.db2.gz QXDZRSBMAFEILU-IBGZPJMESA-N 2 2 326.488 3.418 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)ccn12 ZINC000565372467 316315961 /nfs/dbraw/zinc/31/59/61/316315961.db2.gz JUDIGMREJKIENZ-UHFFFAOYSA-N 2 2 342.487 3.369 10 0 EGAELP CC(C)n1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000570376005 317045966 /nfs/dbraw/zinc/04/59/66/317045966.db2.gz WNQYEQHSAOSMMU-UHFFFAOYSA-N 2 2 326.488 3.261 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980313 324277907 /nfs/dbraw/zinc/27/79/07/324277907.db2.gz MZCAINJNCCGMFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980313 324277911 /nfs/dbraw/zinc/27/79/11/324277911.db2.gz MZCAINJNCCGMFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980313 324277916 /nfs/dbraw/zinc/27/79/16/324277916.db2.gz MZCAINJNCCGMFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3Br)CC[C@@H]21 ZINC000388980313 324277921 /nfs/dbraw/zinc/27/79/21/324277921.db2.gz MZCAINJNCCGMFH-AAEUAGOBSA-N 2 2 329.307 3.427 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445976 325252201 /nfs/dbraw/zinc/25/22/01/325252201.db2.gz QHQPVSHNJYJJRO-CUWPLCDZSA-N 2 2 343.515 3.108 10 0 EGAELP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000580445976 325252206 /nfs/dbraw/zinc/25/22/06/325252206.db2.gz QHQPVSHNJYJJRO-CUWPLCDZSA-N 2 2 343.515 3.108 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000580533731 325263851 /nfs/dbraw/zinc/26/38/51/325263851.db2.gz LIZYIBIGMSQDJO-APIJFGDWSA-N 2 2 326.444 3.380 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000580533731 325263856 /nfs/dbraw/zinc/26/38/56/325263856.db2.gz LIZYIBIGMSQDJO-APIJFGDWSA-N 2 2 326.444 3.380 10 0 EGAELP COC(=O)C[C@](C)([NH2+]CCc1cc[nH+]cc1C)c1cccc(F)c1 ZINC000580890590 325305789 /nfs/dbraw/zinc/30/57/89/325305789.db2.gz NKWDQBFURFMFJR-IBGZPJMESA-N 2 2 330.403 3.140 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012012 325320654 /nfs/dbraw/zinc/32/06/54/325320654.db2.gz OILAZEOATOFCIJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012012 325320656 /nfs/dbraw/zinc/32/06/56/325320656.db2.gz OILAZEOATOFCIJ-KBXCAEBGSA-N 2 2 335.879 3.051 10 0 EGAELP C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659241 455220938 /nfs/dbraw/zinc/22/09/38/455220938.db2.gz MYNOOOWCWUKZQM-CYBMUJFWSA-N 2 2 335.367 3.366 10 0 EGAELP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000183133884 455236074 /nfs/dbraw/zinc/23/60/74/455236074.db2.gz AHUHHVZJPHGUPQ-DLBZAZTESA-N 2 2 334.479 3.332 10 0 EGAELP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000183133884 455236079 /nfs/dbraw/zinc/23/60/79/455236079.db2.gz AHUHHVZJPHGUPQ-DLBZAZTESA-N 2 2 334.479 3.332 10 0 EGAELP CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183150483 455238705 /nfs/dbraw/zinc/23/87/05/455238705.db2.gz IDEOTVNHZAUMMZ-CYBMUJFWSA-N 2 2 337.427 3.090 10 0 EGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000180920914 455264298 /nfs/dbraw/zinc/26/42/98/455264298.db2.gz KJAHYKKQJROBPU-GFCCVEGCSA-N 2 2 338.249 3.080 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180948425 455268005 /nfs/dbraw/zinc/26/80/05/455268005.db2.gz MGYCWWPHGDVQJT-SMDDNHRTSA-N 2 2 327.266 3.030 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180948425 455268008 /nfs/dbraw/zinc/26/80/08/455268008.db2.gz MGYCWWPHGDVQJT-SMDDNHRTSA-N 2 2 327.266 3.030 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511868 460590000 /nfs/dbraw/zinc/59/00/00/460590000.db2.gz JPMGDYNBYFPVTG-TZMCWYRMSA-N 2 2 346.393 3.081 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1(C)C ZINC000623511868 460590009 /nfs/dbraw/zinc/59/00/09/460590009.db2.gz JPMGDYNBYFPVTG-TZMCWYRMSA-N 2 2 346.393 3.081 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679780 455354623 /nfs/dbraw/zinc/35/46/23/455354623.db2.gz IQBNEOWUVRWBKG-QOXYCXOJSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679780 455354628 /nfs/dbraw/zinc/35/46/28/455354628.db2.gz IQBNEOWUVRWBKG-QOXYCXOJSA-N 2 2 339.527 3.397 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567750 453888403 /nfs/dbraw/zinc/88/84/03/453888403.db2.gz LWDAODCMRCLAIK-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567750 453888405 /nfs/dbraw/zinc/88/84/05/453888405.db2.gz LWDAODCMRCLAIK-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567750 453888407 /nfs/dbraw/zinc/88/84/07/453888407.db2.gz LWDAODCMRCLAIK-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000081567750 453888409 /nfs/dbraw/zinc/88/84/09/453888409.db2.gz LWDAODCMRCLAIK-HOTGVXAUSA-N 2 2 328.460 3.461 10 0 EGAELP Fc1ccc(C[NH2+]Cc2cccc(OCCn3cc[nH+]c3)c2)cc1 ZINC000069920460 454158302 /nfs/dbraw/zinc/15/83/02/454158302.db2.gz FHUYYHSFHBLUGJ-UHFFFAOYSA-N 2 2 325.387 3.391 10 0 EGAELP COc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1OC ZINC000058230273 454173700 /nfs/dbraw/zinc/17/37/00/454173700.db2.gz IVQOWBVKKKPRDJ-UHFFFAOYSA-N 2 2 325.412 3.152 10 0 EGAELP Fc1cccc(F)c1C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000089768120 454194252 /nfs/dbraw/zinc/19/42/52/454194252.db2.gz LLLQBBNMONRSEN-UHFFFAOYSA-N 2 2 331.410 3.157 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+]CCOC3CCCCCC3)CC2)ccn1 ZINC000095422679 454207832 /nfs/dbraw/zinc/20/78/32/454207832.db2.gz SKHGGBCOOCZFQW-UHFFFAOYSA-N 2 2 331.504 3.375 10 0 EGAELP COc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182102122 455436241 /nfs/dbraw/zinc/43/62/41/455436241.db2.gz WXBZOHFHGFFNMD-CYBMUJFWSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182102122 455436244 /nfs/dbraw/zinc/43/62/44/455436244.db2.gz WXBZOHFHGFFNMD-CYBMUJFWSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182102122 455436248 /nfs/dbraw/zinc/43/62/48/455436248.db2.gz WXBZOHFHGFFNMD-CYBMUJFWSA-N 2 2 341.293 3.231 10 0 EGAELP COc1cc(Br)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182102122 455436254 /nfs/dbraw/zinc/43/62/54/455436254.db2.gz WXBZOHFHGFFNMD-CYBMUJFWSA-N 2 2 341.293 3.231 10 0 EGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000132992584 454384114 /nfs/dbraw/zinc/38/41/14/454384114.db2.gz APEWBCZLCNFJAP-INIZCTEOSA-N 2 2 349.906 3.019 10 0 EGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000132992584 454384121 /nfs/dbraw/zinc/38/41/21/454384121.db2.gz APEWBCZLCNFJAP-INIZCTEOSA-N 2 2 349.906 3.019 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185592 454403634 /nfs/dbraw/zinc/40/36/34/454403634.db2.gz RKAQJQIBSRGGMY-YJBOKZPZSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185592 454403636 /nfs/dbraw/zinc/40/36/36/454403636.db2.gz RKAQJQIBSRGGMY-YJBOKZPZSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185592 454403639 /nfs/dbraw/zinc/40/36/39/454403639.db2.gz RKAQJQIBSRGGMY-YJBOKZPZSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000121185592 454403642 /nfs/dbraw/zinc/40/36/42/454403642.db2.gz RKAQJQIBSRGGMY-YJBOKZPZSA-N 2 2 349.906 3.497 10 0 EGAELP Cc1cc(C)c(C[S@](=O)Cc2[nH+]ccn2CC(F)(F)F)c(C)[nH+]1 ZINC000600900541 460635080 /nfs/dbraw/zinc/63/50/80/460635080.db2.gz JBBWRCOTDZMHQL-QHCPKHFHSA-N 2 2 345.390 3.215 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218237 454407385 /nfs/dbraw/zinc/40/73/85/454407385.db2.gz HHQPQNIUBHPDLP-VQIMIIECSA-N 2 2 342.487 3.196 10 0 EGAELP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121218237 454407386 /nfs/dbraw/zinc/40/73/86/454407386.db2.gz HHQPQNIUBHPDLP-VQIMIIECSA-N 2 2 342.487 3.196 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200670 454423037 /nfs/dbraw/zinc/42/30/37/454423037.db2.gz STCCWFWJVHJSTH-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200670 454423043 /nfs/dbraw/zinc/42/30/43/454423043.db2.gz STCCWFWJVHJSTH-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200669 454423246 /nfs/dbraw/zinc/42/32/46/454423246.db2.gz STCCWFWJVHJSTH-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200669 454423251 /nfs/dbraw/zinc/42/32/51/454423251.db2.gz STCCWFWJVHJSTH-MRXNPFEDSA-N 2 2 349.438 3.374 10 0 EGAELP c1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)no2)cc1 ZINC000047971569 454426100 /nfs/dbraw/zinc/42/61/00/454426100.db2.gz IEWSQTJCNGDQIL-UHFFFAOYSA-N 2 2 326.444 3.044 10 0 EGAELP CN(C)c1cc[nH+]c(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 ZINC000091483338 454441152 /nfs/dbraw/zinc/44/11/52/454441152.db2.gz ZDPGJVUTAOKJHD-MRXNPFEDSA-N 2 2 348.454 3.317 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000091672706 454455856 /nfs/dbraw/zinc/45/58/56/454455856.db2.gz KUVCZUDMPUJBML-QAPCUYQASA-N 2 2 347.890 3.251 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000091672706 454455857 /nfs/dbraw/zinc/45/58/57/454455857.db2.gz KUVCZUDMPUJBML-QAPCUYQASA-N 2 2 347.890 3.251 10 0 EGAELP Cc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000623607936 460638598 /nfs/dbraw/zinc/63/85/98/460638598.db2.gz SCKRVRCYZULWEL-OAHLLOKOSA-N 2 2 342.405 3.305 10 0 EGAELP C[NH+](C)CCCC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000123140486 454606520 /nfs/dbraw/zinc/60/65/20/454606520.db2.gz BHTILEMVANLERE-UHFFFAOYSA-N 2 2 342.487 3.214 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123192884 454613470 /nfs/dbraw/zinc/61/34/70/454613470.db2.gz UUJAMNNYLQIBEH-CRAIPNDOSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123192884 454613474 /nfs/dbraw/zinc/61/34/74/454613474.db2.gz UUJAMNNYLQIBEH-CRAIPNDOSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123192884 454613477 /nfs/dbraw/zinc/61/34/77/454613477.db2.gz UUJAMNNYLQIBEH-CRAIPNDOSA-N 2 2 331.504 3.164 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123192884 454613478 /nfs/dbraw/zinc/61/34/78/454613478.db2.gz UUJAMNNYLQIBEH-CRAIPNDOSA-N 2 2 331.504 3.164 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135127346 454635879 /nfs/dbraw/zinc/63/58/79/454635879.db2.gz RXPOZJCXJLTDHH-IBGZPJMESA-N 2 2 341.455 3.421 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123537437 454648582 /nfs/dbraw/zinc/64/85/82/454648582.db2.gz XFNJFUKXUBUXFE-LSDHHAIUSA-N 2 2 331.464 3.161 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123537437 454648586 /nfs/dbraw/zinc/64/85/86/454648586.db2.gz XFNJFUKXUBUXFE-LSDHHAIUSA-N 2 2 331.464 3.161 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000105897369 454667613 /nfs/dbraw/zinc/66/76/13/454667613.db2.gz WTZNPIIOWAYAAE-SJORKVTESA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000105897369 454667615 /nfs/dbraw/zinc/66/76/15/454667615.db2.gz WTZNPIIOWAYAAE-SJORKVTESA-N 2 2 333.863 3.469 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000081096608 454686584 /nfs/dbraw/zinc/68/65/84/454686584.db2.gz ZNRJCFPXPZNRLW-ABSDTBQOSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000081096608 454686588 /nfs/dbraw/zinc/68/65/88/454686588.db2.gz ZNRJCFPXPZNRLW-ABSDTBQOSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000081096608 454686593 /nfs/dbraw/zinc/68/65/93/454686593.db2.gz ZNRJCFPXPZNRLW-ABSDTBQOSA-N 2 2 345.531 3.088 10 0 EGAELP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000081096608 454686595 /nfs/dbraw/zinc/68/65/95/454686595.db2.gz ZNRJCFPXPZNRLW-ABSDTBQOSA-N 2 2 345.531 3.088 10 0 EGAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068884 454718821 /nfs/dbraw/zinc/71/88/21/454718821.db2.gz KHVVFVITYPNVMF-HOTGVXAUSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068884 454718825 /nfs/dbraw/zinc/71/88/25/454718825.db2.gz KHVVFVITYPNVMF-HOTGVXAUSA-N 2 2 337.458 3.128 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639114 454726001 /nfs/dbraw/zinc/72/60/01/454726001.db2.gz KDYOGFHBUMABLD-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639114 454726003 /nfs/dbraw/zinc/72/60/03/454726003.db2.gz KDYOGFHBUMABLD-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639114 454726007 /nfs/dbraw/zinc/72/60/07/454726007.db2.gz KDYOGFHBUMABLD-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000093639114 454726010 /nfs/dbraw/zinc/72/60/10/454726010.db2.gz KDYOGFHBUMABLD-CZUORRHYSA-N 2 2 342.430 3.459 10 0 EGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000124921391 454783355 /nfs/dbraw/zinc/78/33/55/454783355.db2.gz VQHFUPDGFQLEDJ-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000124921391 454783358 /nfs/dbraw/zinc/78/33/58/454783358.db2.gz VQHFUPDGFQLEDJ-KRWDZBQOSA-N 2 2 339.886 3.081 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150798994 454894238 /nfs/dbraw/zinc/89/42/38/454894238.db2.gz CHSLFMFMUIDPBD-INIZCTEOSA-N 2 2 341.455 3.268 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150798994 454894243 /nfs/dbraw/zinc/89/42/43/454894243.db2.gz CHSLFMFMUIDPBD-INIZCTEOSA-N 2 2 341.455 3.268 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154511751 454903332 /nfs/dbraw/zinc/90/33/32/454903332.db2.gz JCFKLFHMYZGPAH-YJBOKZPZSA-N 2 2 332.492 3.305 10 0 EGAELP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154511751 454903336 /nfs/dbraw/zinc/90/33/36/454903336.db2.gz JCFKLFHMYZGPAH-YJBOKZPZSA-N 2 2 332.492 3.305 10 0 EGAELP [NH3+]C1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)Cc2ccccc2C1 ZINC000168865134 454927684 /nfs/dbraw/zinc/92/76/84/454927684.db2.gz GRRUPZDJSMJFID-UHFFFAOYSA-N 2 2 345.402 3.309 10 0 EGAELP c1cc(-c2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cs1 ZINC000151103136 454938080 /nfs/dbraw/zinc/93/80/80/454938080.db2.gz CXUZXWKUXQBJGB-CYBMUJFWSA-N 2 2 341.440 3.127 10 0 EGAELP c1cc(-c2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cs1 ZINC000151103136 454938083 /nfs/dbraw/zinc/93/80/83/454938083.db2.gz CXUZXWKUXQBJGB-CYBMUJFWSA-N 2 2 341.440 3.127 10 0 EGAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2ccccc21 ZINC000170942244 455003713 /nfs/dbraw/zinc/00/37/13/455003713.db2.gz YQNIFSIHTBUSOH-NRFANRHFSA-N 2 2 338.499 3.357 10 0 EGAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2ccccc21 ZINC000170942244 455003716 /nfs/dbraw/zinc/00/37/16/455003716.db2.gz YQNIFSIHTBUSOH-NRFANRHFSA-N 2 2 338.499 3.357 10 0 EGAELP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc(Cl)c1 ZINC000156312627 455104079 /nfs/dbraw/zinc/10/40/79/455104079.db2.gz GURGGTYGEZVWER-QGZVFWFLSA-N 2 2 345.830 3.217 10 0 EGAELP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc(Cl)c1 ZINC000156312627 455104082 /nfs/dbraw/zinc/10/40/82/455104082.db2.gz GURGGTYGEZVWER-QGZVFWFLSA-N 2 2 345.830 3.217 10 0 EGAELP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)o1 ZINC000237410081 455183061 /nfs/dbraw/zinc/18/30/61/455183061.db2.gz IMPCUIPJSZYXIV-HNNXBMFYSA-N 2 2 346.446 3.452 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414263 455291963 /nfs/dbraw/zinc/29/19/63/455291963.db2.gz CDNACYNJBGNFLG-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414263 455291967 /nfs/dbraw/zinc/29/19/67/455291967.db2.gz CDNACYNJBGNFLG-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414263 455291968 /nfs/dbraw/zinc/29/19/68/455291968.db2.gz CDNACYNJBGNFLG-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000245414263 455291974 /nfs/dbraw/zinc/29/19/74/455291974.db2.gz CDNACYNJBGNFLG-WMLDXEAASA-N 2 2 337.895 3.249 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427158 455295715 /nfs/dbraw/zinc/29/57/15/455295715.db2.gz LWDAODCMRCLAIK-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427158 455295718 /nfs/dbraw/zinc/29/57/18/455295718.db2.gz LWDAODCMRCLAIK-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427158 455295725 /nfs/dbraw/zinc/29/57/25/455295725.db2.gz LWDAODCMRCLAIK-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245427158 455295730 /nfs/dbraw/zinc/29/57/30/455295730.db2.gz LWDAODCMRCLAIK-CVEARBPZSA-N 2 2 328.460 3.461 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC000190467203 455323953 /nfs/dbraw/zinc/32/39/53/455323953.db2.gz DFTIKMBJPVPODX-HNNXBMFYSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC000190467203 455323956 /nfs/dbraw/zinc/32/39/56/455323956.db2.gz DFTIKMBJPVPODX-HNNXBMFYSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000190467203 455323962 /nfs/dbraw/zinc/32/39/62/455323962.db2.gz DFTIKMBJPVPODX-HNNXBMFYSA-N 2 2 334.489 3.010 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000190467203 455323966 /nfs/dbraw/zinc/32/39/66/455323966.db2.gz DFTIKMBJPVPODX-HNNXBMFYSA-N 2 2 334.489 3.010 10 0 EGAELP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190491739 455331524 /nfs/dbraw/zinc/33/15/24/455331524.db2.gz JUTPXXOEGSWTJY-IBGZPJMESA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190491739 455331531 /nfs/dbraw/zinc/33/15/31/455331531.db2.gz JUTPXXOEGSWTJY-IBGZPJMESA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190491739 455331535 /nfs/dbraw/zinc/33/15/35/455331535.db2.gz JUTPXXOEGSWTJY-IBGZPJMESA-N 2 2 338.499 3.102 10 0 EGAELP CN(C)c1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190491739 455331540 /nfs/dbraw/zinc/33/15/40/455331540.db2.gz JUTPXXOEGSWTJY-IBGZPJMESA-N 2 2 338.499 3.102 10 0 EGAELP Cc1cn2cc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccc2[nH+]1 ZINC000265721393 455368520 /nfs/dbraw/zinc/36/85/20/455368520.db2.gz OXOQXERNTNXZCG-UHFFFAOYSA-N 2 2 341.459 3.125 10 0 EGAELP Cc1cn2cc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)ccc2[nH+]1 ZINC000265721393 455368526 /nfs/dbraw/zinc/36/85/26/455368526.db2.gz OXOQXERNTNXZCG-UHFFFAOYSA-N 2 2 341.459 3.125 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000174284307 455376218 /nfs/dbraw/zinc/37/62/18/455376218.db2.gz NLHGIGOWKTYILM-GXTWGEPZSA-N 2 2 347.413 3.116 10 0 EGAELP C[C@H](Cc1ccccc1)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182038440 455421534 /nfs/dbraw/zinc/42/15/34/455421534.db2.gz HNVFWSKZUVTYDS-LJQANCHMSA-N 2 2 340.515 3.158 10 0 EGAELP C[C@H](Cc1ccccc1)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182038440 455421540 /nfs/dbraw/zinc/42/15/40/455421540.db2.gz HNVFWSKZUVTYDS-LJQANCHMSA-N 2 2 340.515 3.158 10 0 EGAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246257115 455458480 /nfs/dbraw/zinc/45/84/80/455458480.db2.gz KHVVFVITYPNVMF-JKSUJKDBSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246257115 455458484 /nfs/dbraw/zinc/45/84/84/455458484.db2.gz KHVVFVITYPNVMF-JKSUJKDBSA-N 2 2 337.458 3.128 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1Cl ZINC000623683635 460677156 /nfs/dbraw/zinc/67/71/56/460677156.db2.gz CXRBTERPHKAEQA-KRWDZBQOSA-N 2 2 348.878 3.044 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247138870 455565286 /nfs/dbraw/zinc/56/52/86/455565286.db2.gz WBADMTVRNRKBEG-AEFFLSMTSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247138870 455565287 /nfs/dbraw/zinc/56/52/87/455565287.db2.gz WBADMTVRNRKBEG-AEFFLSMTSA-N 2 2 330.472 3.133 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192172433 455568432 /nfs/dbraw/zinc/56/84/32/455568432.db2.gz XQGWAEDYIROMNZ-PBHICJAKSA-N 2 2 325.412 3.009 10 0 EGAELP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292256 455584030 /nfs/dbraw/zinc/58/40/30/455584030.db2.gz HELJFRVZOUUUFE-ZPMCFJSWSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292256 455584036 /nfs/dbraw/zinc/58/40/36/455584036.db2.gz HELJFRVZOUUUFE-ZPMCFJSWSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@@H]1C[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000247292256 455584039 /nfs/dbraw/zinc/58/40/39/455584039.db2.gz HELJFRVZOUUUFE-ZPMCFJSWSA-N 2 2 336.479 3.099 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247659189 455635517 /nfs/dbraw/zinc/63/55/17/455635517.db2.gz PUVPWUPXFSQYLU-LSTDLKDCSA-N 2 2 340.471 3.032 10 0 EGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247659189 455635519 /nfs/dbraw/zinc/63/55/19/455635519.db2.gz PUVPWUPXFSQYLU-LSTDLKDCSA-N 2 2 340.471 3.032 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C1 ZINC000247815119 455647805 /nfs/dbraw/zinc/64/78/05/455647805.db2.gz WBMOYFHRKPZKCW-QZTJIDSGSA-N 2 2 348.535 3.413 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)C1 ZINC000247815119 455647810 /nfs/dbraw/zinc/64/78/10/455647810.db2.gz WBMOYFHRKPZKCW-QZTJIDSGSA-N 2 2 348.535 3.413 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000193809938 455778837 /nfs/dbraw/zinc/77/88/37/455778837.db2.gz CIRCWYWDYVBJNF-UHFFFAOYSA-N 2 2 337.467 3.465 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000280094811 455889738 /nfs/dbraw/zinc/88/97/38/455889738.db2.gz AYQYNQNXDVBKEP-PXNSSMCTSA-N 2 2 335.455 3.460 10 0 EGAELP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000280094811 455889741 /nfs/dbraw/zinc/88/97/41/455889741.db2.gz AYQYNQNXDVBKEP-PXNSSMCTSA-N 2 2 335.455 3.460 10 0 EGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000296344137 455914188 /nfs/dbraw/zinc/91/41/88/455914188.db2.gz IOGMXWVJDZLYBW-YGRLFVJLSA-N 2 2 338.224 3.450 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)CC(C)C ZINC000606583922 460701946 /nfs/dbraw/zinc/70/19/46/460701946.db2.gz SYDVCVUEWKUEON-MRXNPFEDSA-N 2 2 331.464 3.212 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000195261987 455938182 /nfs/dbraw/zinc/93/81/82/455938182.db2.gz GYWSJVIGYNMMOE-KRWDZBQOSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000195261987 455938189 /nfs/dbraw/zinc/93/81/89/455938189.db2.gz GYWSJVIGYNMMOE-KRWDZBQOSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000195261987 455938195 /nfs/dbraw/zinc/93/81/95/455938195.db2.gz GYWSJVIGYNMMOE-KRWDZBQOSA-N 2 2 345.512 3.284 10 0 EGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000195261987 455938201 /nfs/dbraw/zinc/93/82/01/455938201.db2.gz GYWSJVIGYNMMOE-KRWDZBQOSA-N 2 2 345.512 3.284 10 0 EGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515753 455975044 /nfs/dbraw/zinc/97/50/44/455975044.db2.gz ATWCCCOTMPBOON-MRXNPFEDSA-N 2 2 338.455 3.017 10 0 EGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515753 455975048 /nfs/dbraw/zinc/97/50/48/455975048.db2.gz ATWCCCOTMPBOON-MRXNPFEDSA-N 2 2 338.455 3.017 10 0 EGAELP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000623753692 460705509 /nfs/dbraw/zinc/70/55/09/460705509.db2.gz CIVRVDTYUHYTKE-HKUYNNGSSA-N 2 2 334.891 3.462 10 0 EGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000225603781 456096808 /nfs/dbraw/zinc/09/68/08/456096808.db2.gz CJHLKUDTGXISBA-CQSZACIVSA-N 2 2 341.484 3.286 10 0 EGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000225603781 456096814 /nfs/dbraw/zinc/09/68/14/456096814.db2.gz CJHLKUDTGXISBA-CQSZACIVSA-N 2 2 341.484 3.286 10 0 EGAELP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865343 456161202 /nfs/dbraw/zinc/16/12/02/456161202.db2.gz WBZMJLMLPOCTAI-KBPBESRZSA-N 2 2 346.500 3.109 10 0 EGAELP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000289865343 456161206 /nfs/dbraw/zinc/16/12/06/456161206.db2.gz WBZMJLMLPOCTAI-KBPBESRZSA-N 2 2 346.500 3.109 10 0 EGAELP CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174872 456201074 /nfs/dbraw/zinc/20/10/74/456201074.db2.gz PKAOBSBATSBUAB-GOEBONIOSA-N 2 2 330.501 3.101 10 0 EGAELP CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000273174872 456201081 /nfs/dbraw/zinc/20/10/81/456201081.db2.gz PKAOBSBATSBUAB-GOEBONIOSA-N 2 2 330.501 3.101 10 0 EGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000301773267 456211398 /nfs/dbraw/zinc/21/13/98/456211398.db2.gz KAHQDZZXWMRFRG-IAGOWNOFSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000301773267 456211401 /nfs/dbraw/zinc/21/14/01/456211401.db2.gz KAHQDZZXWMRFRG-IAGOWNOFSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000301773267 456211404 /nfs/dbraw/zinc/21/14/04/456211404.db2.gz KAHQDZZXWMRFRG-IAGOWNOFSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000301773267 456211408 /nfs/dbraw/zinc/21/14/08/456211408.db2.gz KAHQDZZXWMRFRG-IAGOWNOFSA-N 2 2 343.519 3.166 10 0 EGAELP C[C@H]1CN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)c[nH+]2)C[C@H](C)O1 ZINC000301863582 456236744 /nfs/dbraw/zinc/23/67/44/456236744.db2.gz GPAPCJDWZAWKQO-KBPBESRZSA-N 2 2 337.427 3.184 10 0 EGAELP OC[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1c1ccccc1 ZINC000353254151 456588948 /nfs/dbraw/zinc/58/89/48/456588948.db2.gz VADPPYOOTWPXOH-RTBURBONSA-N 2 2 339.464 3.190 10 0 EGAELP c1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000337986175 456639193 /nfs/dbraw/zinc/63/91/93/456639193.db2.gz BBLOOKYQAQTPGJ-LEWJYISDSA-N 2 2 344.499 3.066 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471299 456644542 /nfs/dbraw/zinc/64/45/42/456644542.db2.gz IEPLYTHRQORUCS-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000343471299 456644550 /nfs/dbraw/zinc/64/45/50/456644550.db2.gz IEPLYTHRQORUCS-AUUYWEPGSA-N 2 2 341.430 3.118 10 0 EGAELP c1cncc(C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]2CC[NH2+]C2)c1 ZINC000328646525 456727717 /nfs/dbraw/zinc/72/77/17/456727717.db2.gz SQDWNXZPCBLJCB-LJQANCHMSA-N 2 2 332.451 3.242 10 0 EGAELP c1cncc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]2CC[NH2+]C2)c1 ZINC000328646525 456727722 /nfs/dbraw/zinc/72/77/22/456727722.db2.gz SQDWNXZPCBLJCB-LJQANCHMSA-N 2 2 332.451 3.242 10 0 EGAELP Cc1nc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C)c(C)[nH+]1 ZINC000340912613 456757926 /nfs/dbraw/zinc/75/79/26/456757926.db2.gz KEGKPGILHYDFRY-HNNXBMFYSA-N 2 2 328.435 3.424 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc2c(c1)OCCO2 ZINC000353558896 456759866 /nfs/dbraw/zinc/75/98/66/456759866.db2.gz YPGCMGJTKNHMJB-UHFFFAOYSA-N 2 2 330.428 3.005 10 0 EGAELP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc2c(c1)OCCO2 ZINC000353558896 456759871 /nfs/dbraw/zinc/75/98/71/456759871.db2.gz YPGCMGJTKNHMJB-UHFFFAOYSA-N 2 2 330.428 3.005 10 0 EGAELP C[NH+](CCC[N@@H+](C)Cc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353558896 456759884 /nfs/dbraw/zinc/75/98/84/456759884.db2.gz YPGCMGJTKNHMJB-UHFFFAOYSA-N 2 2 330.428 3.005 10 0 EGAELP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000353651492 456829974 /nfs/dbraw/zinc/82/99/74/456829974.db2.gz PXIDMKAVJALDFE-LJQANCHMSA-N 2 2 341.430 3.199 10 0 EGAELP Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000353651492 456829976 /nfs/dbraw/zinc/82/99/76/456829976.db2.gz PXIDMKAVJALDFE-LJQANCHMSA-N 2 2 341.430 3.199 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C2 ZINC000353674122 456847448 /nfs/dbraw/zinc/84/74/48/456847448.db2.gz HPDYTHFUXCFSAS-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C2 ZINC000353674122 456847452 /nfs/dbraw/zinc/84/74/52/456847452.db2.gz HPDYTHFUXCFSAS-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000353674122 456847455 /nfs/dbraw/zinc/84/74/55/456847455.db2.gz HPDYTHFUXCFSAS-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000353674122 456847458 /nfs/dbraw/zinc/84/74/58/456847458.db2.gz HPDYTHFUXCFSAS-CVEARBPZSA-N 2 2 346.519 3.019 10 0 EGAELP Cc1nc(N2CC[NH+](CCCOc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000353677490 456849676 /nfs/dbraw/zinc/84/96/76/456849676.db2.gz ZNNPEWSVECDHJL-UHFFFAOYSA-N 2 2 346.862 3.030 10 0 EGAELP Cc1ccc2[nH+]cc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000349837428 457072613 /nfs/dbraw/zinc/07/26/13/457072613.db2.gz DXFLLKSMPVGEOB-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP Cc1ccc2[nH+]cc(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000349837428 457072620 /nfs/dbraw/zinc/07/26/20/457072620.db2.gz DXFLLKSMPVGEOB-LJQANCHMSA-N 2 2 334.467 3.349 10 0 EGAELP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356900642 457207157 /nfs/dbraw/zinc/20/71/57/457207157.db2.gz OULAPUVELRESOB-GDBMZVCRSA-N 2 2 336.442 3.324 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342595880 457388669 /nfs/dbraw/zinc/38/86/69/457388669.db2.gz HANFUCAFBHOCNB-UHFFFAOYSA-N 2 2 330.407 3.065 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390681472 457440266 /nfs/dbraw/zinc/44/02/66/457440266.db2.gz VYOOYEZVNGTJMB-LJQANCHMSA-N 2 2 330.497 3.437 10 0 EGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390681472 457440273 /nfs/dbraw/zinc/44/02/73/457440273.db2.gz VYOOYEZVNGTJMB-LJQANCHMSA-N 2 2 330.497 3.437 10 0 EGAELP CC(C)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000347458162 457441772 /nfs/dbraw/zinc/44/17/72/457441772.db2.gz YEOKCKXLTDJPEJ-XYPWUTKMSA-N 2 2 334.533 3.014 10 0 EGAELP CC(C)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000347458162 457441778 /nfs/dbraw/zinc/44/17/78/457441778.db2.gz YEOKCKXLTDJPEJ-XYPWUTKMSA-N 2 2 334.533 3.014 10 0 EGAELP Clc1cccc(N2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000342674463 457447098 /nfs/dbraw/zinc/44/70/98/457447098.db2.gz AELMPQGKLPMYMP-UHFFFAOYSA-N 2 2 326.831 3.310 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021750 457506107 /nfs/dbraw/zinc/50/61/07/457506107.db2.gz RBFJNRLWBHAQNC-GOSISDBHSA-N 3 2 341.503 3.384 10 0 EGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370021750 457506115 /nfs/dbraw/zinc/50/61/15/457506115.db2.gz RBFJNRLWBHAQNC-GOSISDBHSA-N 3 2 341.503 3.384 10 0 EGAELP CS[C@@H]1CC[C@@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000425353887 457512744 /nfs/dbraw/zinc/51/27/44/457512744.db2.gz NKXKMGZHOIDXQZ-BPQIPLTHSA-N 2 2 334.529 3.370 10 0 EGAELP CCc1ccc(-c2noc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)cc1 ZINC000374209558 457523288 /nfs/dbraw/zinc/52/32/88/457523288.db2.gz QJPJOOCUPUBICK-UHFFFAOYSA-N 2 2 337.427 3.402 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000401148741 457524534 /nfs/dbraw/zinc/52/45/34/457524534.db2.gz OZGDXRJMZOAJLO-UWHLTILDSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000401148741 457524539 /nfs/dbraw/zinc/52/45/39/457524539.db2.gz OZGDXRJMZOAJLO-UWHLTILDSA-N 3 2 327.516 3.019 10 0 EGAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342787962 457529006 /nfs/dbraw/zinc/52/90/06/457529006.db2.gz WPKVRVIGFAXMTE-AUUYWEPGSA-N 2 2 341.434 3.079 10 0 EGAELP CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000374253034 457545902 /nfs/dbraw/zinc/54/59/02/457545902.db2.gz CVPFMXVNBKPEPD-HYVNUMGLSA-N 2 2 337.533 3.025 10 0 EGAELP CC(C)Cc1ncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000374253034 457545907 /nfs/dbraw/zinc/54/59/07/457545907.db2.gz CVPFMXVNBKPEPD-HYVNUMGLSA-N 2 2 337.533 3.025 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306403 457614777 /nfs/dbraw/zinc/61/47/77/457614777.db2.gz AKSJNEIZXWGOSC-HOTGVXAUSA-N 2 2 346.519 3.092 10 0 EGAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306403 457614783 /nfs/dbraw/zinc/61/47/83/457614783.db2.gz AKSJNEIZXWGOSC-HOTGVXAUSA-N 2 2 346.519 3.092 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000365265663 457734331 /nfs/dbraw/zinc/73/43/31/457734331.db2.gz JUFIUJMDZHQVBV-NRFANRHFSA-N 2 2 333.435 3.104 10 0 EGAELP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000361457688 457738599 /nfs/dbraw/zinc/73/85/99/457738599.db2.gz UNUNZSDTQYUGDM-IBGZPJMESA-N 2 2 330.497 3.078 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000371346874 457877432 /nfs/dbraw/zinc/87/74/32/457877432.db2.gz AQZQZDWDSKBMIK-OXJNMPFZSA-N 2 2 336.483 3.149 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[N@H+]1Cc1ccccc1 ZINC000371346874 457877438 /nfs/dbraw/zinc/87/74/38/457877438.db2.gz AQZQZDWDSKBMIK-OXJNMPFZSA-N 2 2 336.483 3.149 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445821760 458095664 /nfs/dbraw/zinc/09/56/64/458095664.db2.gz ZNWLJZYSEBCCNI-FQEVSTJZSA-N 2 2 338.499 3.095 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000445821760 458095670 /nfs/dbraw/zinc/09/56/70/458095670.db2.gz ZNWLJZYSEBCCNI-FQEVSTJZSA-N 2 2 338.499 3.095 10 0 EGAELP CC[NH+](CC)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000369410569 458206122 /nfs/dbraw/zinc/20/61/22/458206122.db2.gz XSCKNSLFVXPVEQ-IBGZPJMESA-N 2 2 340.471 3.199 10 0 EGAELP CC[NH+](CC)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000369410569 458206129 /nfs/dbraw/zinc/20/61/29/458206129.db2.gz XSCKNSLFVXPVEQ-IBGZPJMESA-N 2 2 340.471 3.199 10 0 EGAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000435998155 458233707 /nfs/dbraw/zinc/23/37/07/458233707.db2.gz VKEBKQAMWLHQGV-KRWDZBQOSA-N 2 2 346.519 3.469 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002198 458251281 /nfs/dbraw/zinc/25/12/81/458251281.db2.gz JHCWFOOOFQDOTL-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002198 458251288 /nfs/dbraw/zinc/25/12/88/458251288.db2.gz JHCWFOOOFQDOTL-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429002198 458251291 /nfs/dbraw/zinc/25/12/91/458251291.db2.gz JHCWFOOOFQDOTL-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429002198 458251294 /nfs/dbraw/zinc/25/12/94/458251294.db2.gz JHCWFOOOFQDOTL-SCLBCKFNSA-N 2 2 346.862 3.479 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366562 458345390 /nfs/dbraw/zinc/34/53/90/458345390.db2.gz BEHLCQNDVNKITN-CRAIPNDOSA-N 2 2 340.471 3.011 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366562 458345394 /nfs/dbraw/zinc/34/53/94/458345394.db2.gz BEHLCQNDVNKITN-CRAIPNDOSA-N 2 2 340.471 3.011 10 0 EGAELP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459383973 458352260 /nfs/dbraw/zinc/35/22/60/458352260.db2.gz HMYGLIHSDPQVGH-GOSISDBHSA-N 2 2 339.487 3.244 10 0 EGAELP Clc1ccc(CN2CCC([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000377797937 458532246 /nfs/dbraw/zinc/53/22/46/458532246.db2.gz BIVZNHAZURSXII-QGZVFWFLSA-N 2 2 344.890 3.175 10 0 EGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546574004 458638202 /nfs/dbraw/zinc/63/82/02/458638202.db2.gz VVQPXQRTZZNLJV-TZIWHRDSSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546574004 458638207 /nfs/dbraw/zinc/63/82/07/458638207.db2.gz VVQPXQRTZZNLJV-TZIWHRDSSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546574004 458638213 /nfs/dbraw/zinc/63/82/13/458638213.db2.gz VVQPXQRTZZNLJV-TZIWHRDSSA-N 2 2 327.516 3.139 10 0 EGAELP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000546574004 458638220 /nfs/dbraw/zinc/63/82/20/458638220.db2.gz VVQPXQRTZZNLJV-TZIWHRDSSA-N 2 2 327.516 3.139 10 0 EGAELP CC1CCC(N(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C2CC2)CC1 ZINC000530711986 458815180 /nfs/dbraw/zinc/81/51/80/458815180.db2.gz YBLIKUOLNJHTOZ-UHFFFAOYSA-N 2 2 344.503 3.159 10 0 EGAELP CC(C)C[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000474264604 458872342 /nfs/dbraw/zinc/87/23/42/458872342.db2.gz GVXLIEZNKZEPPE-HXUWFJFHSA-N 2 2 340.515 3.368 10 0 EGAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000567381837 459097326 /nfs/dbraw/zinc/09/73/26/459097326.db2.gz NBBPYDXCWTUHKZ-JLCHBGMNSA-N 2 2 326.444 3.273 10 0 EGAELP COc1cncc(/C=C/CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000567381837 459097331 /nfs/dbraw/zinc/09/73/31/459097331.db2.gz NBBPYDXCWTUHKZ-JLCHBGMNSA-N 2 2 326.444 3.273 10 0 EGAELP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C)C4)cc3)[nH+]c12 ZINC000521358839 459143508 /nfs/dbraw/zinc/14/35/08/459143508.db2.gz BNKGKVYWLVOLRP-INIZCTEOSA-N 2 2 334.423 3.200 10 0 EGAELP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@H+](C)C4)cc3)[nH+]c12 ZINC000521358839 459143513 /nfs/dbraw/zinc/14/35/13/459143513.db2.gz BNKGKVYWLVOLRP-INIZCTEOSA-N 2 2 334.423 3.200 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000594748494 459151101 /nfs/dbraw/zinc/15/11/01/459151101.db2.gz TZZMZWAELZMJLE-AWEZNQCLSA-N 2 2 334.489 3.193 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000594748494 459151103 /nfs/dbraw/zinc/15/11/03/459151103.db2.gz TZZMZWAELZMJLE-AWEZNQCLSA-N 2 2 334.489 3.193 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595008479 459214183 /nfs/dbraw/zinc/21/41/83/459214183.db2.gz UITNVOYIAKRLPN-FUHWJXTLSA-N 2 2 332.488 3.218 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595008479 459214186 /nfs/dbraw/zinc/21/41/86/459214186.db2.gz UITNVOYIAKRLPN-FUHWJXTLSA-N 2 2 332.488 3.218 10 0 EGAELP Cc1cn2cc(NC(=O)NCCCCC[NH+]3CCCCC3)ccc2[nH+]1 ZINC000523419715 459299275 /nfs/dbraw/zinc/29/92/75/459299275.db2.gz QJGBHGPBIIZYLE-UHFFFAOYSA-N 2 2 343.475 3.420 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1OC ZINC000560548834 459371976 /nfs/dbraw/zinc/37/19/76/459371976.db2.gz CNUIJOMOPZVQCO-INIZCTEOSA-N 2 2 332.488 3.185 10 0 EGAELP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1OC ZINC000560548834 459371983 /nfs/dbraw/zinc/37/19/83/459371983.db2.gz CNUIJOMOPZVQCO-INIZCTEOSA-N 2 2 332.488 3.185 10 0 EGAELP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)c(C)c2c1 ZINC000484126116 459407249 /nfs/dbraw/zinc/40/72/49/459407249.db2.gz FBWPVKRAZACAJO-GDBMZVCRSA-N 2 2 346.471 3.369 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000484288540 459411098 /nfs/dbraw/zinc/41/10/98/459411098.db2.gz AVSZNOLGHQFXAE-TZIWHRDSSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000484288540 459411102 /nfs/dbraw/zinc/41/11/02/459411102.db2.gz AVSZNOLGHQFXAE-TZIWHRDSSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000484288540 459411107 /nfs/dbraw/zinc/41/11/07/459411107.db2.gz AVSZNOLGHQFXAE-TZIWHRDSSA-N 2 2 344.499 3.111 10 0 EGAELP CCOC(=O)[C@]1(Cc2ccccc2)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000484288540 459411111 /nfs/dbraw/zinc/41/11/11/459411111.db2.gz AVSZNOLGHQFXAE-TZIWHRDSSA-N 2 2 344.499 3.111 10 0 EGAELP C[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC000543447527 459658157 /nfs/dbraw/zinc/65/81/57/459658157.db2.gz NJJRXNHRJYBYQF-LJQANCHMSA-N 2 2 338.495 3.487 10 0 EGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543632453 459678387 /nfs/dbraw/zinc/67/83/87/459678387.db2.gz URQPSFTYUGPIMW-HMECNJMJSA-N 2 2 349.469 3.080 10 0 EGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543632453 459678392 /nfs/dbraw/zinc/67/83/92/459678392.db2.gz URQPSFTYUGPIMW-HMECNJMJSA-N 2 2 349.469 3.080 10 0 EGAELP Clc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000592809847 459694349 /nfs/dbraw/zinc/69/43/49/459694349.db2.gz CVTHAJIVQJRWPH-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP Clc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000592809847 459694358 /nfs/dbraw/zinc/69/43/58/459694358.db2.gz CVTHAJIVQJRWPH-OAHLLOKOSA-N 2 2 343.818 3.424 10 0 EGAELP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000584323995 459708429 /nfs/dbraw/zinc/70/84/29/459708429.db2.gz RSALKEBIVCKDJE-LBPRGKRZSA-N 2 2 332.354 3.264 10 0 EGAELP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527750681 459724370 /nfs/dbraw/zinc/72/43/70/459724370.db2.gz DHKILLKFMQTTBK-LJQANCHMSA-N 2 2 332.488 3.208 10 0 EGAELP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527750681 459724375 /nfs/dbraw/zinc/72/43/75/459724375.db2.gz DHKILLKFMQTTBK-LJQANCHMSA-N 2 2 332.488 3.208 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527810057 459745839 /nfs/dbraw/zinc/74/58/39/459745839.db2.gz UGJMQKAELJQERQ-TZIWHRDSSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810057 459745845 /nfs/dbraw/zinc/74/58/45/459745845.db2.gz UGJMQKAELJQERQ-TZIWHRDSSA-N 2 2 344.499 3.351 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951036 459779781 /nfs/dbraw/zinc/77/97/81/459779781.db2.gz QCMOYPAFIHYTBD-OXJNMPFZSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000527951036 459779786 /nfs/dbraw/zinc/77/97/86/459779786.db2.gz QCMOYPAFIHYTBD-OXJNMPFZSA-N 2 2 343.515 3.446 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003456 459793266 /nfs/dbraw/zinc/79/32/66/459793266.db2.gz SJSJNQUEBJLKAF-KXBFYZLASA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000528003456 459793269 /nfs/dbraw/zinc/79/32/69/459793269.db2.gz SJSJNQUEBJLKAF-KXBFYZLASA-N 2 2 329.488 3.056 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008581 459794632 /nfs/dbraw/zinc/79/46/32/459794632.db2.gz FRIVNNYVRFMIHO-KSSFIOAISA-N 2 2 327.472 3.239 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000528008581 459794634 /nfs/dbraw/zinc/79/46/34/459794634.db2.gz FRIVNNYVRFMIHO-KSSFIOAISA-N 2 2 327.472 3.239 10 0 EGAELP Cc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000574249561 459796131 /nfs/dbraw/zinc/79/61/31/459796131.db2.gz DNTJEGGCVSLUFG-QFIPXVFZSA-N 2 2 338.495 3.325 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000566150338 459815032 /nfs/dbraw/zinc/81/50/32/459815032.db2.gz ZFFQIUIUZFCFGL-XLIONFOSSA-N 2 2 338.499 3.005 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942708 459876730 /nfs/dbraw/zinc/87/67/30/459876730.db2.gz ATTASNHJWWSGAU-FOIQADDNSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000545942708 459876732 /nfs/dbraw/zinc/87/67/32/459876732.db2.gz ATTASNHJWWSGAU-FOIQADDNSA-N 2 2 328.431 3.444 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689456 459970219 /nfs/dbraw/zinc/97/02/19/459970219.db2.gz NITHEHPPRSHSIG-RHSMWYFYSA-N 2 2 334.410 3.108 10 0 EGAELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689456 459970224 /nfs/dbraw/zinc/97/02/24/459970224.db2.gz NITHEHPPRSHSIG-RHSMWYFYSA-N 2 2 334.410 3.108 10 0 EGAELP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588689307 459971595 /nfs/dbraw/zinc/97/15/95/459971595.db2.gz YJBZSOUYIBPFMS-HXUWFJFHSA-N 2 2 342.483 3.010 10 0 EGAELP CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588689307 459971601 /nfs/dbraw/zinc/97/16/01/459971601.db2.gz YJBZSOUYIBPFMS-HXUWFJFHSA-N 2 2 342.483 3.010 10 0 EGAELP CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689307 459971607 /nfs/dbraw/zinc/97/16/07/459971607.db2.gz YJBZSOUYIBPFMS-HXUWFJFHSA-N 2 2 342.483 3.010 10 0 EGAELP CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689307 459971612 /nfs/dbraw/zinc/97/16/12/459971612.db2.gz YJBZSOUYIBPFMS-HXUWFJFHSA-N 2 2 342.483 3.010 10 0 EGAELP c1cnc2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000589641529 460119124 /nfs/dbraw/zinc/11/91/24/460119124.db2.gz NJGXJMWJCBBWTG-UHFFFAOYSA-N 2 2 332.451 3.384 10 0 EGAELP CCCC[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000621932586 460123114 /nfs/dbraw/zinc/12/31/14/460123114.db2.gz HIEBBPCDAYXDKR-XNMUZJSGSA-N 2 2 349.563 3.218 10 0 EGAELP CCCC[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000621932586 460123118 /nfs/dbraw/zinc/12/31/18/460123118.db2.gz HIEBBPCDAYXDKR-XNMUZJSGSA-N 2 2 349.563 3.218 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000576396201 460132097 /nfs/dbraw/zinc/13/20/97/460132097.db2.gz ZNVGCFWWCATHQP-MJGOQNOKSA-N 2 2 343.858 3.148 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](CCOC)c2ccccc2)CC1 ZINC000626089011 460366500 /nfs/dbraw/zinc/36/65/00/460366500.db2.gz XIKSCAMLFROSKS-HXUWFJFHSA-N 2 2 346.515 3.341 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611573928 460405232 /nfs/dbraw/zinc/40/52/32/460405232.db2.gz HKOCSACLIJSQDW-HNNXBMFYSA-N 2 2 333.819 3.160 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611573928 460405239 /nfs/dbraw/zinc/40/52/39/460405239.db2.gz HKOCSACLIJSQDW-HNNXBMFYSA-N 2 2 333.819 3.160 10 0 EGAELP Cc1cc(C)c(CNc2ccccc2C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000634563168 460423525 /nfs/dbraw/zinc/42/35/25/460423525.db2.gz VORXYVFFZDOKDO-UHFFFAOYSA-N 2 2 325.456 3.451 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000600202131 460436883 /nfs/dbraw/zinc/43/68/83/460436883.db2.gz AKXGPARCKHDOKX-HNNXBMFYSA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000600202131 460436889 /nfs/dbraw/zinc/43/68/89/460436889.db2.gz AKXGPARCKHDOKX-HNNXBMFYSA-N 2 2 336.863 3.233 10 0 EGAELP Clc1ccc(C[NH+]2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000623239353 460459303 /nfs/dbraw/zinc/45/93/03/460459303.db2.gz FEINEEZHUQNPJK-UHFFFAOYSA-N 2 2 330.863 3.086 10 0 EGAELP Clc1ccc(C[NH+]2CCC([N@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000623239353 460459307 /nfs/dbraw/zinc/45/93/07/460459307.db2.gz FEINEEZHUQNPJK-UHFFFAOYSA-N 2 2 330.863 3.086 10 0 EGAELP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000634733443 460497748 /nfs/dbraw/zinc/49/77/48/460497748.db2.gz FYMLDZXYJBCCFI-GFCCVEGCSA-N 2 2 327.266 3.023 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404618 460531034 /nfs/dbraw/zinc/53/10/34/460531034.db2.gz CZBUPAWUXPGZNF-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404618 460531041 /nfs/dbraw/zinc/53/10/41/460531041.db2.gz CZBUPAWUXPGZNF-CQSZACIVSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404617 460531179 /nfs/dbraw/zinc/53/11/79/460531179.db2.gz CZBUPAWUXPGZNF-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404617 460531183 /nfs/dbraw/zinc/53/11/83/460531183.db2.gz CZBUPAWUXPGZNF-AWEZNQCLSA-N 2 2 341.293 3.420 10 0 EGAELP Brc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ncccc12 ZINC000629384784 460745086 /nfs/dbraw/zinc/74/50/86/460745086.db2.gz GCKHPRGDAZIKKE-OAHLLOKOSA-N 2 2 346.272 3.372 10 0 EGAELP [NH3+]C1CC[NH+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1 ZINC000629508893 460786929 /nfs/dbraw/zinc/78/69/29/460786929.db2.gz FPXZXPGGMNFNFU-UHFFFAOYSA-N 2 2 343.324 3.423 10 0 EGAELP [NH3+]C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000629512151 460788785 /nfs/dbraw/zinc/78/87/85/460788785.db2.gz PDZOPJUYKFVARO-SNVBAGLBSA-N 2 2 343.324 3.280 10 0 EGAELP [NH3+]C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000629512151 460788790 /nfs/dbraw/zinc/78/87/90/460788790.db2.gz PDZOPJUYKFVARO-SNVBAGLBSA-N 2 2 343.324 3.280 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534630 460799867 /nfs/dbraw/zinc/79/98/67/460799867.db2.gz AUDRUSHPQZMPDG-JHJVBQTASA-N 2 2 343.393 3.153 10 0 EGAELP COc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccc(OC)cc2)cc1 ZINC000629545312 460802465 /nfs/dbraw/zinc/80/24/65/460802465.db2.gz CFYDFIWVBHZDTL-IWMITWMQSA-N 2 2 340.467 3.328 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000629549487 460804458 /nfs/dbraw/zinc/80/44/58/460804458.db2.gz WVXJHHGTLAQIAP-GDLCADMTSA-N 2 2 325.250 3.003 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077625 460848440 /nfs/dbraw/zinc/84/84/40/460848440.db2.gz WCNGKPKPGDUXDB-FXAWDEMLSA-N 2 2 343.515 3.425 10 0 EGAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077625 460848445 /nfs/dbraw/zinc/84/84/45/460848445.db2.gz WCNGKPKPGDUXDB-FXAWDEMLSA-N 2 2 343.515 3.425 10 0 EGAELP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659622 460853309 /nfs/dbraw/zinc/85/33/09/460853309.db2.gz DDWCNUZSAKTAOG-DYVFJYSZSA-N 2 2 346.906 3.432 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c2[nH+]ccn2c1 ZINC000624154243 460888474 /nfs/dbraw/zinc/88/84/74/460888474.db2.gz GJHQJADJOMFFTF-MRXNPFEDSA-N 2 2 328.460 3.027 10 0 EGAELP Cc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c2[nH+]ccn2c1 ZINC000624154243 460888481 /nfs/dbraw/zinc/88/84/81/460888481.db2.gz GJHQJADJOMFFTF-MRXNPFEDSA-N 2 2 328.460 3.027 10 0 EGAELP Cc1cn2ccc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2[nH+]1 ZINC000668154006 461138973 /nfs/dbraw/zinc/13/89/73/461138973.db2.gz BPZQXGUTCOSWPD-KRWDZBQOSA-N 2 2 341.459 3.125 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1=CCSC1 ZINC000662264881 461152169 /nfs/dbraw/zinc/15/21/69/461152169.db2.gz URLWEGURJOKVFI-CYBMUJFWSA-N 2 2 342.468 3.009 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1=CCSC1 ZINC000662264881 461152182 /nfs/dbraw/zinc/15/21/82/461152182.db2.gz URLWEGURJOKVFI-CYBMUJFWSA-N 2 2 342.468 3.009 10 0 EGAELP [NH3+][C@@H]1CCc2ccccc2N(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000662303516 461179875 /nfs/dbraw/zinc/17/98/75/461179875.db2.gz WVSZLBVIHHYJFV-OAHLLOKOSA-N 2 2 326.831 3.268 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CCO1 ZINC000662321935 461192193 /nfs/dbraw/zinc/19/21/93/461192193.db2.gz LCIXBQVVJKJSJD-INIZCTEOSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CCO1 ZINC000662321935 461192203 /nfs/dbraw/zinc/19/22/03/461192203.db2.gz LCIXBQVVJKJSJD-INIZCTEOSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000662323892 461192617 /nfs/dbraw/zinc/19/26/17/461192617.db2.gz TWJIJFHSRZFSSF-GOSISDBHSA-N 2 2 347.890 3.431 10 0 EGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000662323892 461192621 /nfs/dbraw/zinc/19/26/21/461192621.db2.gz TWJIJFHSRZFSSF-GOSISDBHSA-N 2 2 347.890 3.431 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587952 461198109 /nfs/dbraw/zinc/19/81/09/461198109.db2.gz XIHJVOKHVAHYDA-UWJYYQICSA-N 2 2 338.499 3.220 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000649587952 461198121 /nfs/dbraw/zinc/19/81/21/461198121.db2.gz XIHJVOKHVAHYDA-UWJYYQICSA-N 2 2 338.499 3.220 10 0 EGAELP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1([NH2+]C2CC2)CCC1 ZINC000662799092 461375091 /nfs/dbraw/zinc/37/50/91/461375091.db2.gz IKTSNWYKDPIVBL-UHFFFAOYSA-N 2 2 348.450 3.215 10 0 EGAELP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cn1 ZINC000647170885 461540566 /nfs/dbraw/zinc/54/05/66/461540566.db2.gz RZHJXAIPVPSGQL-UHFFFAOYSA-N 2 2 326.488 3.391 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172461 461542637 /nfs/dbraw/zinc/54/26/37/461542637.db2.gz XPGLGXMZGABJPF-PCCBWWKXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172461 461542647 /nfs/dbraw/zinc/54/26/47/461542647.db2.gz XPGLGXMZGABJPF-PCCBWWKXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172461 461542654 /nfs/dbraw/zinc/54/26/54/461542654.db2.gz XPGLGXMZGABJPF-PCCBWWKXSA-N 3 2 339.527 3.400 10 0 EGAELP c1ccc(C[NH+]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172461 461542662 /nfs/dbraw/zinc/54/26/62/461542662.db2.gz XPGLGXMZGABJPF-PCCBWWKXSA-N 3 2 339.527 3.400 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663344730 461573759 /nfs/dbraw/zinc/57/37/59/461573759.db2.gz VWLSTFWTCQWIHC-GFCCVEGCSA-N 2 2 333.423 3.374 10 0 EGAELP FC(F)(F)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663344730 461573764 /nfs/dbraw/zinc/57/37/64/461573764.db2.gz VWLSTFWTCQWIHC-GFCCVEGCSA-N 2 2 333.423 3.374 10 0 EGAELP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cn21 ZINC000647263090 461599774 /nfs/dbraw/zinc/59/97/74/461599774.db2.gz GIIUQXFFPTXCLH-OKZBNKHCSA-N 2 2 327.472 3.370 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194423 461634196 /nfs/dbraw/zinc/63/41/96/461634196.db2.gz KZOMWVMIBGMXDQ-MJGOQNOKSA-N 2 2 338.499 3.077 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194423 461634207 /nfs/dbraw/zinc/63/42/07/461634207.db2.gz KZOMWVMIBGMXDQ-MJGOQNOKSA-N 2 2 338.499 3.077 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194421 461634680 /nfs/dbraw/zinc/63/46/80/461634680.db2.gz KZOMWVMIBGMXDQ-HKUYNNGSSA-N 2 2 338.499 3.077 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631194421 461634683 /nfs/dbraw/zinc/63/46/83/461634683.db2.gz KZOMWVMIBGMXDQ-HKUYNNGSSA-N 2 2 338.499 3.077 10 0 EGAELP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000631243868 461670204 /nfs/dbraw/zinc/67/02/04/461670204.db2.gz SJHSOVCUXWSQJY-UHFFFAOYSA-N 2 2 342.405 3.266 10 0 EGAELP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499012 461672614 /nfs/dbraw/zinc/67/26/14/461672614.db2.gz UNDRBJBLNCAXTM-UHFFFAOYSA-N 2 2 344.890 3.043 10 0 EGAELP Cc1ccc(OCc2nc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cs2)cc1 ZINC000663500777 461674778 /nfs/dbraw/zinc/67/47/78/461674778.db2.gz VQEHVSWFKPKYRZ-QGZVFWFLSA-N 2 2 333.501 3.494 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253523 461676910 /nfs/dbraw/zinc/67/69/10/461676910.db2.gz PBXLPCJITWLAMY-BEFAXECRSA-N 2 2 344.478 3.482 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253523 461676915 /nfs/dbraw/zinc/67/69/15/461676915.db2.gz PBXLPCJITWLAMY-BEFAXECRSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253523 461676920 /nfs/dbraw/zinc/67/69/20/461676920.db2.gz PBXLPCJITWLAMY-BEFAXECRSA-N 2 2 344.478 3.482 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000656253523 461676926 /nfs/dbraw/zinc/67/69/26/461676926.db2.gz PBXLPCJITWLAMY-BEFAXECRSA-N 2 2 344.478 3.482 10 0 EGAELP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000647479643 461725607 /nfs/dbraw/zinc/72/56/07/461725607.db2.gz OCMFUWHYFCFWAD-TZMCWYRMSA-N 2 2 339.277 3.119 10 0 EGAELP Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000647479643 461725616 /nfs/dbraw/zinc/72/56/16/461725616.db2.gz OCMFUWHYFCFWAD-TZMCWYRMSA-N 2 2 339.277 3.119 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480306 461728361 /nfs/dbraw/zinc/72/83/61/461728361.db2.gz JBGBQHBITFDIEV-XJKSGUPXSA-N 2 2 340.414 3.261 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC(F)F)c1 ZINC000647480306 461728366 /nfs/dbraw/zinc/72/83/66/461728366.db2.gz JBGBQHBITFDIEV-XJKSGUPXSA-N 2 2 340.414 3.261 10 0 EGAELP CCc1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000669694719 461770178 /nfs/dbraw/zinc/77/01/78/461770178.db2.gz IIDUIWOAPXLJAJ-CYBMUJFWSA-N 2 2 331.489 3.013 10 0 EGAELP CCc1nnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000669694719 461770180 /nfs/dbraw/zinc/77/01/80/461770180.db2.gz IIDUIWOAPXLJAJ-CYBMUJFWSA-N 2 2 331.489 3.013 10 0 EGAELP Cc1nc(NC2CCC(C[NH+](C)C)CC2)c(Br)c(C)[nH+]1 ZINC000663737832 461781233 /nfs/dbraw/zinc/78/12/33/461781233.db2.gz FUCIQVQOKYNGQA-UHFFFAOYSA-N 2 2 341.297 3.388 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000663843330 461833323 /nfs/dbraw/zinc/83/33/23/461833323.db2.gz WBTYSIPBIXUBOD-CYBMUJFWSA-N 2 2 331.382 3.322 10 0 EGAELP Cc1cc(C(F)(F)F)cc(NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000663843330 461833329 /nfs/dbraw/zinc/83/33/29/461833329.db2.gz WBTYSIPBIXUBOD-CYBMUJFWSA-N 2 2 331.382 3.322 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647793374 461838752 /nfs/dbraw/zinc/83/87/52/461838752.db2.gz VYSGHYIVBVCILY-HUUJSLGLSA-N 3 2 338.499 3.219 10 0 EGAELP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000653777341 461852600 /nfs/dbraw/zinc/85/26/00/461852600.db2.gz ZWEBYUOPYCIRJV-MRXNPFEDSA-N 2 2 337.826 3.219 10 0 EGAELP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000653777341 461852610 /nfs/dbraw/zinc/85/26/10/461852610.db2.gz ZWEBYUOPYCIRJV-MRXNPFEDSA-N 2 2 337.826 3.219 10 0 EGAELP c1ncc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cncs4)C3)C2)s1 ZINC000660565227 461857606 /nfs/dbraw/zinc/85/76/06/461857606.db2.gz CFDNUTIEJYIOQD-UHFFFAOYSA-N 2 2 348.541 3.478 10 0 EGAELP c1ncc(C[NH+]2CCCC3(CCC[N@H+](Cc4cncs4)C3)C2)s1 ZINC000660565227 461857614 /nfs/dbraw/zinc/85/76/14/461857614.db2.gz CFDNUTIEJYIOQD-UHFFFAOYSA-N 2 2 348.541 3.478 10 0 EGAELP CCC(C)(C)[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000653810809 461873229 /nfs/dbraw/zinc/87/32/29/461873229.db2.gz RSNKEEVXZPKLIK-UHFFFAOYSA-N 2 2 326.488 3.238 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899788 461875898 /nfs/dbraw/zinc/87/58/98/461875898.db2.gz WKBPFOOGBXVGII-VDZJLULYSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899788 461875905 /nfs/dbraw/zinc/87/59/05/461875905.db2.gz WKBPFOOGBXVGII-VDZJLULYSA-N 2 2 329.488 3.040 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901870 461876254 /nfs/dbraw/zinc/87/62/54/461876254.db2.gz WTOSOQHKERVIQA-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647901870 461876262 /nfs/dbraw/zinc/87/62/62/461876262.db2.gz WTOSOQHKERVIQA-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Clc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903764 461878613 /nfs/dbraw/zinc/87/86/13/461878613.db2.gz PEYBXQPJZKCIMC-BEFAXECRSA-N 2 2 344.890 3.490 10 0 EGAELP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903764 461878619 /nfs/dbraw/zinc/87/86/19/461878619.db2.gz PEYBXQPJZKCIMC-BEFAXECRSA-N 2 2 344.890 3.490 10 0 EGAELP CCO[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC000650714392 461907212 /nfs/dbraw/zinc/90/72/12/461907212.db2.gz AALPOXGDHLCQGN-BXUZGUMPSA-N 2 2 336.785 3.154 10 0 EGAELP CCO[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC000650714392 461907216 /nfs/dbraw/zinc/90/72/16/461907216.db2.gz AALPOXGDHLCQGN-BXUZGUMPSA-N 2 2 336.785 3.154 10 0 EGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650763595 461941966 /nfs/dbraw/zinc/94/19/66/461941966.db2.gz FDCUYWQMJMHZGW-DOMZBBRYSA-N 2 2 328.378 3.051 10 0 EGAELP c1cc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657287293 462017880 /nfs/dbraw/zinc/01/78/80/462017880.db2.gz XPTROKDWHYYJAK-NRFANRHFSA-N 2 2 347.466 3.194 10 0 EGAELP C[C@@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000657395303 462095964 /nfs/dbraw/zinc/09/59/64/462095964.db2.gz UDNMZEUANASFLJ-IEBWSBKVSA-N 2 2 347.466 3.020 10 0 EGAELP C[C@@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657395303 462095971 /nfs/dbraw/zinc/09/59/71/462095971.db2.gz UDNMZEUANASFLJ-IEBWSBKVSA-N 2 2 347.466 3.020 10 0 EGAELP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000667501990 462115667 /nfs/dbraw/zinc/11/56/67/462115667.db2.gz QHUYICXIQZWTAK-UHFFFAOYSA-N 2 2 346.441 3.383 10 0 EGAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000667501990 462115669 /nfs/dbraw/zinc/11/56/69/462115669.db2.gz QHUYICXIQZWTAK-UHFFFAOYSA-N 2 2 346.441 3.383 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000648466136 462133351 /nfs/dbraw/zinc/13/33/51/462133351.db2.gz SJJBTUFPMLUIIF-UHFFFAOYSA-N 2 2 346.581 3.078 10 0 EGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H](O)C(F)F ZINC000651398744 462213962 /nfs/dbraw/zinc/21/39/62/462213962.db2.gz LZPKWZCZBBSAHC-JYJNAYRXSA-N 2 2 326.431 3.034 10 0 EGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H](O)C(F)F ZINC000651398744 462213971 /nfs/dbraw/zinc/21/39/71/462213971.db2.gz LZPKWZCZBBSAHC-JYJNAYRXSA-N 2 2 326.431 3.034 10 0 EGAELP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657795397 462270676 /nfs/dbraw/zinc/27/06/76/462270676.db2.gz HYCJVUNMJYDZKJ-KBXCAEBGSA-N 2 2 327.453 3.188 10 0 EGAELP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCSCC3)CC2)c1 ZINC000657829041 462286656 /nfs/dbraw/zinc/28/66/56/462286656.db2.gz XPEYXNKCMRFWCL-LJQANCHMSA-N 2 2 347.572 3.382 10 0 EGAELP C([NH2+][C@H]1CCCSCC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000657902513 462312105 /nfs/dbraw/zinc/31/21/05/462312105.db2.gz MWVBAJMJYQGJFJ-KRWDZBQOSA-N 2 2 326.550 3.144 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000657984261 462337370 /nfs/dbraw/zinc/33/73/70/462337370.db2.gz DBCUAGIWELVNII-SLYNCCJLSA-N 2 2 348.531 3.408 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658057733 462361740 /nfs/dbraw/zinc/36/17/40/462361740.db2.gz BGJINHYXUZJFIN-RTBURBONSA-N 2 2 341.503 3.180 10 0 EGAELP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658057733 462361746 /nfs/dbraw/zinc/36/17/46/462361746.db2.gz BGJINHYXUZJFIN-RTBURBONSA-N 2 2 341.503 3.180 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059851 462362032 /nfs/dbraw/zinc/36/20/32/462362032.db2.gz XVWQBAWTEQCQIX-IRXDYDNUSA-N 2 2 334.504 3.487 10 0 EGAELP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059851 462362039 /nfs/dbraw/zinc/36/20/39/462362039.db2.gz XVWQBAWTEQCQIX-IRXDYDNUSA-N 2 2 334.504 3.487 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnn(CC)c2)cc1 ZINC000665255095 462371451 /nfs/dbraw/zinc/37/14/51/462371451.db2.gz IROZVKLNVLJRQY-XPGWFJOJSA-N 2 2 342.487 3.098 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccnc2)cc1 ZINC000665255637 462371619 /nfs/dbraw/zinc/37/16/19/462371619.db2.gz YLAMFMDEJZWMAV-XPGWFJOJSA-N 2 2 325.456 3.277 10 0 EGAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299093 462389780 /nfs/dbraw/zinc/38/97/80/462389780.db2.gz GCOIIYXJINVZCT-PWIZWCRZSA-N 2 2 346.478 3.408 10 0 EGAELP Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000651973846 462397409 /nfs/dbraw/zinc/39/74/09/462397409.db2.gz FYPXSQHDNZKBJP-UHFFFAOYSA-N 2 2 326.444 3.481 10 0 EGAELP Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000651973846 462397413 /nfs/dbraw/zinc/39/74/13/462397413.db2.gz FYPXSQHDNZKBJP-UHFFFAOYSA-N 2 2 326.444 3.481 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661787171 462411554 /nfs/dbraw/zinc/41/15/54/462411554.db2.gz ZGBBRJBDOBSNKE-WIYYLYMNSA-N 2 2 349.482 3.415 10 0 EGAELP C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+]1CCOCC1 ZINC000652153223 462453721 /nfs/dbraw/zinc/45/37/21/462453721.db2.gz DHJNLYHZTPGXJW-YLJYHZDGSA-N 2 2 331.504 3.261 10 0 EGAELP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658293440 462460445 /nfs/dbraw/zinc/46/04/45/462460445.db2.gz HBWSUCCWLUNPLZ-UYAOXDASSA-N 2 2 344.499 3.360 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658294836 462461211 /nfs/dbraw/zinc/46/12/11/462461211.db2.gz PPCBBXNTDZKTFS-PKOBYXMFSA-N 2 2 330.472 3.052 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000191426047 534779974 /nfs/dbraw/zinc/77/99/74/534779974.db2.gz HKFJJXROENFYOM-SFHVURJKSA-N 2 2 327.476 3.096 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000191426047 534779979 /nfs/dbraw/zinc/77/99/79/534779979.db2.gz HKFJJXROENFYOM-SFHVURJKSA-N 2 2 327.476 3.096 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187125851 534780108 /nfs/dbraw/zinc/78/01/08/534780108.db2.gz LKLQAEIURMKZSY-YOEHRIQHSA-N 2 2 337.826 3.182 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187125851 534780117 /nfs/dbraw/zinc/78/01/17/534780117.db2.gz LKLQAEIURMKZSY-YOEHRIQHSA-N 2 2 337.826 3.182 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781234 527752501 /nfs/dbraw/zinc/75/25/01/527752501.db2.gz JYJCIAWYBGWFDV-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781234 527752505 /nfs/dbraw/zinc/75/25/05/527752505.db2.gz JYJCIAWYBGWFDV-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781234 527752510 /nfs/dbraw/zinc/75/25/10/527752510.db2.gz JYJCIAWYBGWFDV-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000174781234 527752513 /nfs/dbraw/zinc/75/25/13/527752513.db2.gz JYJCIAWYBGWFDV-OXQOHEQNSA-N 2 2 339.483 3.440 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000174779377 527831206 /nfs/dbraw/zinc/83/12/06/527831206.db2.gz LPSWISBNOMWCNV-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000174779377 527831209 /nfs/dbraw/zinc/83/12/09/527831209.db2.gz LPSWISBNOMWCNV-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000174779377 527831212 /nfs/dbraw/zinc/83/12/12/527831212.db2.gz LPSWISBNOMWCNV-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000174779377 527831217 /nfs/dbraw/zinc/83/12/17/527831217.db2.gz LPSWISBNOMWCNV-PBHICJAKSA-N 2 2 335.517 3.009 10 0 EGAELP CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894186 528207735 /nfs/dbraw/zinc/20/77/35/528207735.db2.gz FCVFGMHZCRUSGS-HZPDHXFCSA-N 2 2 328.460 3.218 10 0 EGAELP CC(C)[N@H+]1Cc2cc(C(=O)NCCC[NH+]3CCC[C@@H](C)C3)sc2C1 ZINC000065238765 546564657 /nfs/dbraw/zinc/56/46/57/546564657.db2.gz CONFFJAVLKMSCT-OAHLLOKOSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[N@@H+]1Cc2cc(C(=O)NCCC[NH+]3CCC[C@@H](C)C3)sc2C1 ZINC000065238765 546564662 /nfs/dbraw/zinc/56/46/62/546564662.db2.gz CONFFJAVLKMSCT-OAHLLOKOSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[NH+]1Cc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)sc2C1 ZINC000065238765 546564669 /nfs/dbraw/zinc/56/46/69/546564669.db2.gz CONFFJAVLKMSCT-OAHLLOKOSA-N 2 2 349.544 3.324 10 0 EGAELP CC(C)[NH+]1Cc2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)sc2C1 ZINC000065238765 546564673 /nfs/dbraw/zinc/56/46/73/546564673.db2.gz CONFFJAVLKMSCT-OAHLLOKOSA-N 2 2 349.544 3.324 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000188397616 547147537 /nfs/dbraw/zinc/14/75/37/547147537.db2.gz VFANFGWQGNZLBL-CQSZACIVSA-N 2 2 337.370 3.158 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000188397616 547147540 /nfs/dbraw/zinc/14/75/40/547147540.db2.gz VFANFGWQGNZLBL-CQSZACIVSA-N 2 2 337.370 3.158 10 0 EGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC(C)C ZINC000188399692 547147752 /nfs/dbraw/zinc/14/77/52/547147752.db2.gz UBUKEYYFMKNBJN-KRWDZBQOSA-N 2 2 329.444 3.344 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1OC(C)C ZINC000188399692 547147756 /nfs/dbraw/zinc/14/77/56/547147756.db2.gz UBUKEYYFMKNBJN-KRWDZBQOSA-N 2 2 329.444 3.344 10 0 EGAELP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000247737336 547293615 /nfs/dbraw/zinc/29/36/15/547293615.db2.gz VQLDYTJKBGXQQM-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000247737336 547293620 /nfs/dbraw/zinc/29/36/20/547293620.db2.gz VQLDYTJKBGXQQM-WBVHZDCISA-N 2 2 337.427 3.325 10 0 EGAELP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCc3c[nH+]cn3C)c12 ZINC000290416735 547411032 /nfs/dbraw/zinc/41/10/32/547411032.db2.gz AJLGYFUAKDZFNX-UHFFFAOYSA-N 2 2 336.399 3.035 10 0 EGAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc3c(cnn3C(C)C)c1)CCC2 ZINC000329279382 547494419 /nfs/dbraw/zinc/49/44/19/547494419.db2.gz MLPPORDAOVDITB-MRXNPFEDSA-N 2 2 338.459 3.184 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000673600695 548580231 /nfs/dbraw/zinc/58/02/31/548580231.db2.gz LFTKEJPLNATMGV-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000673600695 548580232 /nfs/dbraw/zinc/58/02/32/548580232.db2.gz LFTKEJPLNATMGV-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000673857353 548641258 /nfs/dbraw/zinc/64/12/58/548641258.db2.gz QZLBVYPHJQCDOS-LJQANCHMSA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000673857353 548641264 /nfs/dbraw/zinc/64/12/64/548641264.db2.gz QZLBVYPHJQCDOS-LJQANCHMSA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1cc2ccccc2o1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000673857353 548641267 /nfs/dbraw/zinc/64/12/67/548641267.db2.gz QZLBVYPHJQCDOS-LJQANCHMSA-N 2 2 338.451 3.358 10 0 EGAELP C[NH+](Cc1cc2ccccc2o1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000673857353 548641272 /nfs/dbraw/zinc/64/12/72/548641272.db2.gz QZLBVYPHJQCDOS-LJQANCHMSA-N 2 2 338.451 3.358 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCSC2(CCCCC2)C1 ZINC000674313562 548723394 /nfs/dbraw/zinc/72/33/94/548723394.db2.gz IXVGCADOPNKJFE-IBGZPJMESA-N 2 2 348.556 3.231 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCSC2(CCCCC2)C1 ZINC000674313562 548723398 /nfs/dbraw/zinc/72/33/98/548723398.db2.gz IXVGCADOPNKJFE-IBGZPJMESA-N 2 2 348.556 3.231 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000674313562 548723399 /nfs/dbraw/zinc/72/33/99/548723399.db2.gz IXVGCADOPNKJFE-IBGZPJMESA-N 2 2 348.556 3.231 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000674313562 548723405 /nfs/dbraw/zinc/72/34/05/548723405.db2.gz IXVGCADOPNKJFE-IBGZPJMESA-N 2 2 348.556 3.231 10 0 EGAELP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674372957 548740054 /nfs/dbraw/zinc/74/00/54/548740054.db2.gz LVXHDYUQMLERKV-NSHDSACASA-N 2 2 329.429 3.462 10 0 EGAELP Cc1ncc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000675917477 549004625 /nfs/dbraw/zinc/00/46/25/549004625.db2.gz CDUJMWONQVJZOR-DNVCBOLYSA-N 2 2 335.455 3.462 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893046 549175370 /nfs/dbraw/zinc/17/53/70/549175370.db2.gz BHAJCARIKYRKHC-JKSUJKDBSA-N 2 2 344.421 3.071 10 0 EGAELP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000676893046 549175373 /nfs/dbraw/zinc/17/53/73/549175373.db2.gz BHAJCARIKYRKHC-JKSUJKDBSA-N 2 2 344.421 3.071 10 0 EGAELP CC1(C)C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000678940376 549600713 /nfs/dbraw/zinc/60/07/13/549600713.db2.gz OEGHQWHZKOANBP-IBGZPJMESA-N 2 2 342.458 3.461 10 0 EGAELP CC1(C)C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000678940376 549600718 /nfs/dbraw/zinc/60/07/18/549600718.db2.gz OEGHQWHZKOANBP-IBGZPJMESA-N 2 2 342.458 3.461 10 0 EGAELP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)[nH+]c12 ZINC000682732064 550137856 /nfs/dbraw/zinc/13/78/56/550137856.db2.gz DHQFKTXPWNVCAB-QXAKKESOSA-N 2 2 327.472 3.370 10 0 EGAELP OC[C@]1([NH2+]C2CCC3(CC3)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000683107505 550191222 /nfs/dbraw/zinc/19/12/22/550191222.db2.gz MFBJMFMEJAFHCN-NRFANRHFSA-N 2 2 328.500 3.326 10 0 EGAELP OC[C@]1([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000683107505 550191223 /nfs/dbraw/zinc/19/12/23/550191223.db2.gz MFBJMFMEJAFHCN-NRFANRHFSA-N 2 2 328.500 3.326 10 0 EGAELP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731039932 575045991 /nfs/dbraw/zinc/04/59/91/575045991.db2.gz FJKUMRGKVRYMRZ-IFMALSPDSA-N 2 2 336.479 3.091 10 0 EGAELP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731039932 575045993 /nfs/dbraw/zinc/04/59/93/575045993.db2.gz FJKUMRGKVRYMRZ-IFMALSPDSA-N 2 2 336.479 3.091 10 0 EGAELP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000098173187 1292965647 /nfs/dbraw/zinc/96/56/47/1292965647.db2.gz CSKFJCOSMVCUQM-KRWDZBQOSA-N 2 2 336.524 3.068 10 0 EGAELP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)C1 ZINC000098173187 1292965654 /nfs/dbraw/zinc/96/56/54/1292965654.db2.gz CSKFJCOSMVCUQM-KRWDZBQOSA-N 2 2 336.524 3.068 10 0 EGAELP Cc1ccc2ncc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)n2c1 ZINC000155788127 1294114214 /nfs/dbraw/zinc/11/42/14/1294114214.db2.gz AEXYVAXHSZKNGL-UHFFFAOYSA-N 2 2 331.423 3.177 10 0 EGAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131040 1296754208 /nfs/dbraw/zinc/75/42/08/1296754208.db2.gz VKMFCPYZHJAVDX-WFASDCNBSA-N 2 2 343.393 3.004 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148686 1296766917 /nfs/dbraw/zinc/76/69/17/1296766917.db2.gz HBTNWWARLMTZAE-HUUCEWRRSA-N 2 2 330.394 3.388 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148686 1296766931 /nfs/dbraw/zinc/76/69/31/1296766931.db2.gz HBTNWWARLMTZAE-HUUCEWRRSA-N 2 2 330.394 3.388 10 0 EGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630566 /nfs/dbraw/zinc/63/05/66/1297630566.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630592 /nfs/dbraw/zinc/63/05/92/1297630592.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630596 /nfs/dbraw/zinc/63/05/96/1297630596.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 3 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630605 /nfs/dbraw/zinc/63/06/05/1297630605.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 3 2 329.532 3.361 10 0 EGAELP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630610 /nfs/dbraw/zinc/63/06/10/1297630610.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 2 2 329.532 3.361 10 0 EGAELP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630618 /nfs/dbraw/zinc/63/06/18/1297630618.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630624 /nfs/dbraw/zinc/63/06/24/1297630624.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 2 2 329.532 3.361 10 0 EGAELP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630633 /nfs/dbraw/zinc/63/06/33/1297630633.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 2 2 329.532 3.361 10 0 EGAELP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000399088076 1297723210 /nfs/dbraw/zinc/72/32/10/1297723210.db2.gz RYVMVTBHRFXWNP-IRXDYDNUSA-N 2 2 339.524 3.096 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000877666070 1299466066 /nfs/dbraw/zinc/46/60/66/1299466066.db2.gz UQPKOZXIKACJJQ-QAPCUYQASA-N 2 2 343.446 3.087 10 0 EGAELP COc1cnc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000877666070 1299466070 /nfs/dbraw/zinc/46/60/70/1299466070.db2.gz UQPKOZXIKACJJQ-QAPCUYQASA-N 2 2 343.446 3.087 10 0 EGAELP CC[N@@H+](Cc1[nH]nc(C)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075595 1306203627 /nfs/dbraw/zinc/20/36/27/1306203627.db2.gz GFHATDHSKIUCLX-IBGZPJMESA-N 2 2 326.488 3.371 10 0 EGAELP CC[N@H+](Cc1[nH]nc(C)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894075595 1306203638 /nfs/dbraw/zinc/20/36/38/1306203638.db2.gz GFHATDHSKIUCLX-IBGZPJMESA-N 2 2 326.488 3.371 10 0 EGAELP CC[NH+](Cc1[nH]nc(C)c1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894075595 1306203644 /nfs/dbraw/zinc/20/36/44/1306203644.db2.gz GFHATDHSKIUCLX-IBGZPJMESA-N 2 2 326.488 3.371 10 0 EGAELP CC[NH+](Cc1[nH]nc(C)c1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894075595 1306203652 /nfs/dbraw/zinc/20/36/52/1306203652.db2.gz GFHATDHSKIUCLX-IBGZPJMESA-N 2 2 326.488 3.371 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000894469503 1308905708 /nfs/dbraw/zinc/90/57/08/1308905708.db2.gz GGULWTWEYGWNHI-IYWMVGAKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000894469503 1308905717 /nfs/dbraw/zinc/90/57/17/1308905717.db2.gz GGULWTWEYGWNHI-IYWMVGAKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894469503 1308905722 /nfs/dbraw/zinc/90/57/22/1308905722.db2.gz GGULWTWEYGWNHI-IYWMVGAKSA-N 2 2 342.483 3.067 10 0 EGAELP CCOC(=O)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000894469503 1308905728 /nfs/dbraw/zinc/90/57/28/1308905728.db2.gz GGULWTWEYGWNHI-IYWMVGAKSA-N 2 2 342.483 3.067 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000895828498 1309543425 /nfs/dbraw/zinc/54/34/25/1309543425.db2.gz VOFCNBSIVWFIPA-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC000898272938 1310656820 /nfs/dbraw/zinc/65/68/20/1310656820.db2.gz MNSMSTIEELVODC-UHFFFAOYSA-N 2 2 334.508 3.088 10 0 EGAELP CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC000898272938 1310656826 /nfs/dbraw/zinc/65/68/26/1310656826.db2.gz MNSMSTIEELVODC-UHFFFAOYSA-N 2 2 334.508 3.088 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029344 1328665024 /nfs/dbraw/zinc/66/50/24/1328665024.db2.gz VZQUZKSBBLOMQG-SFHVURJKSA-N 2 2 326.444 3.007 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029344 1328665031 /nfs/dbraw/zinc/66/50/31/1328665031.db2.gz VZQUZKSBBLOMQG-SFHVURJKSA-N 2 2 326.444 3.007 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782396 1328699286 /nfs/dbraw/zinc/69/92/86/1328699286.db2.gz VEQFMDXASHGOQO-ZFWWWQNUSA-N 2 2 340.309 3.457 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782396 1328699292 /nfs/dbraw/zinc/69/92/92/1328699292.db2.gz VEQFMDXASHGOQO-ZFWWWQNUSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782396 1328699298 /nfs/dbraw/zinc/69/92/98/1328699298.db2.gz VEQFMDXASHGOQO-ZFWWWQNUSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782396 1328699301 /nfs/dbraw/zinc/69/93/01/1328699301.db2.gz VEQFMDXASHGOQO-ZFWWWQNUSA-N 2 2 340.309 3.457 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782388 1328700040 /nfs/dbraw/zinc/70/00/40/1328700040.db2.gz VEQFMDXASHGOQO-HIFRSBDPSA-N 2 2 340.309 3.457 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782388 1328700045 /nfs/dbraw/zinc/70/00/45/1328700045.db2.gz VEQFMDXASHGOQO-HIFRSBDPSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782388 1328700049 /nfs/dbraw/zinc/70/00/49/1328700049.db2.gz VEQFMDXASHGOQO-HIFRSBDPSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Br)c(C)c2)C[C@H]1C ZINC000929782388 1328700051 /nfs/dbraw/zinc/70/00/51/1328700051.db2.gz VEQFMDXASHGOQO-HIFRSBDPSA-N 2 2 340.309 3.457 10 0 EGAELP CC(C)(C)OC(=O)C1(CC[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000929804084 1328704892 /nfs/dbraw/zinc/70/48/92/1328704892.db2.gz SPQQTVCOQBDMSZ-UHFFFAOYSA-N 2 2 333.476 3.422 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992889 1328759767 /nfs/dbraw/zinc/75/97/67/1328759767.db2.gz XOYCTPBBBUFCRQ-ARFHVFGLSA-N 2 2 348.491 3.283 10 0 EGAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 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0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000923027829 1322678122 /nfs/dbraw/zinc/67/81/22/1322678122.db2.gz JMKPFNITRMHAQX-FQEVSTJZSA-N 2 2 343.515 3.413 10 0 EGAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000924607587 1323073508 /nfs/dbraw/zinc/07/35/08/1323073508.db2.gz SPCXDNRBJAWUKG-OAHLLOKOSA-N 2 2 327.476 3.053 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924666337 1323102912 /nfs/dbraw/zinc/10/29/12/1323102912.db2.gz AHNKLSLWXLJRAL-NFBUACBFSA-N 2 2 332.536 3.150 10 0 EGAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924666337 1323102914 /nfs/dbraw/zinc/10/29/14/1323102914.db2.gz AHNKLSLWXLJRAL-NFBUACBFSA-N 2 2 332.536 3.150 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2ccccc21 ZINC000924964123 1323229851 /nfs/dbraw/zinc/22/98/51/1323229851.db2.gz IZDMBJXLEJDJDW-KFKAGJAMSA-N 2 2 340.467 3.362 10 0 EGAELP 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RJFOAMPXPVGTBT-GJYPPUQNSA-N 3 2 333.520 3.328 10 0 EGAELP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1Br ZINC000865532444 1329710031 /nfs/dbraw/zinc/71/00/31/1329710031.db2.gz CLTBAUGCUVBQPA-CQSZACIVSA-N 2 2 334.261 3.367 10 0 EGAELP c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000865805215 1329739828 /nfs/dbraw/zinc/73/98/28/1329739828.db2.gz VDHYGBCXANXQRB-IBGZPJMESA-N 2 2 339.487 3.154 10 0 EGAELP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702954 1330142568 /nfs/dbraw/zinc/14/25/68/1330142568.db2.gz FIVYRKKZHVFBNZ-YJYMSZOUSA-N 2 2 328.460 3.093 10 0 EGAELP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702954 1330142570 /nfs/dbraw/zinc/14/25/70/1330142570.db2.gz FIVYRKKZHVFBNZ-YJYMSZOUSA-N 2 2 328.460 3.093 10 0 EGAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001324002796 1387506573 /nfs/dbraw/zinc/50/65/73/1387506573.db2.gz AUNMTUIIEHUDGS-DUIUGDAFSA-N 2 2 343.515 3.178 10 0 EGAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001324002796 1387506575 /nfs/dbraw/zinc/50/65/75/1387506575.db2.gz AUNMTUIIEHUDGS-DUIUGDAFSA-N 2 2 343.515 3.178 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001325544792 1388000002 /nfs/dbraw/zinc/00/00/02/1388000002.db2.gz VDOPTTYWOVLWIQ-IRXDYDNUSA-N 2 2 342.487 3.212 10 0 EGAELP c1ccc(NCCC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)[nH+]c1 ZINC001200901148 1369446394 /nfs/dbraw/zinc/44/63/94/1369446394.db2.gz GJIPKELIXCIPER-LJQANCHMSA-N 2 2 341.455 3.231 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001325918554 1388081485 /nfs/dbraw/zinc/08/14/85/1388081485.db2.gz FBTAYKBWPOQPNE-FGTMMUONSA-N 2 2 332.492 3.090 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001325918554 1388081491 /nfs/dbraw/zinc/08/14/91/1388081491.db2.gz FBTAYKBWPOQPNE-FGTMMUONSA-N 2 2 332.492 3.090 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001326318722 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2 2 340.471 3.051 10 0 EGAELP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001481374080 1394215662 /nfs/dbraw/zinc/21/56/62/1394215662.db2.gz YPTUAQQYIXBZGU-APWZRJJASA-N 2 2 340.471 3.002 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490766081 1394328279 /nfs/dbraw/zinc/32/82/79/1394328279.db2.gz JYKFGLYKBWLWLY-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490766081 1394328286 /nfs/dbraw/zinc/32/82/86/1394328286.db2.gz JYKFGLYKBWLWLY-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490766081 1394328293 /nfs/dbraw/zinc/32/82/93/1394328293.db2.gz JYKFGLYKBWLWLY-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP CC(C)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490766081 1394328297 /nfs/dbraw/zinc/32/82/97/1394328297.db2.gz JYKFGLYKBWLWLY-RCCFBDPRSA-N 2 2 346.519 3.120 10 0 EGAELP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481502740 1394349252 /nfs/dbraw/zinc/34/92/52/1394349252.db2.gz CTLSSWXHKQBXTP-INIZCTEOSA-N 2 2 348.535 3.294 10 0 EGAELP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481502740 1394349258 /nfs/dbraw/zinc/34/92/58/1394349258.db2.gz CTLSSWXHKQBXTP-INIZCTEOSA-N 2 2 348.535 3.294 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CCCC3CCC3)ccn12 ZINC001482282859 1394865359 /nfs/dbraw/zinc/86/53/59/1394865359.db2.gz AEYDGTRWNJERHF-HNNXBMFYSA-N 2 2 342.487 3.273 10 0 EGAELP CCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001482407729 1394971986 /nfs/dbraw/zinc/97/19/86/1394971986.db2.gz HXNMYILFJUSFHW-INIZCTEOSA-N 2 2 328.460 3.013 10 0 EGAELP C[N@H+](CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1=CCCCC1 ZINC001482507308 1395060826 /nfs/dbraw/zinc/06/08/26/1395060826.db2.gz UHSNYDUTVQZGEH-UHFFFAOYSA-N 2 2 344.503 3.013 10 0 EGAELP C[N@@H+](CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1=CCCCC1 ZINC001482507308 1395060831 /nfs/dbraw/zinc/06/08/31/1395060831.db2.gz UHSNYDUTVQZGEH-UHFFFAOYSA-N 2 2 344.503 3.013 10 0 EGAELP CC(C)c1ccc(C[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)cc1 ZINC001698973190 1406739206 /nfs/dbraw/zinc/73/92/06/1406739206.db2.gz WEJLVLAAIFGUAL-LJQANCHMSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484022193 1395194245 /nfs/dbraw/zinc/19/42/45/1395194245.db2.gz IZGAPTSDGUJRGV-FQEVSTJZSA-N 2 2 346.519 3.093 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484022193 1395194247 /nfs/dbraw/zinc/19/42/47/1395194247.db2.gz IZGAPTSDGUJRGV-FQEVSTJZSA-N 2 2 346.519 3.093 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2C[C@H]([NH2+]CCCC(C)C)C(C)(C)C2)c[nH+]1 ZINC001486235952 1396186138 /nfs/dbraw/zinc/18/61/38/1396186138.db2.gz JMESZMCOAICHPP-KRWDZBQOSA-N 2 2 348.535 3.189 10 0 EGAELP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001501625016 1396194811 /nfs/dbraw/zinc/19/48/11/1396194811.db2.gz BLUWTRIYLRZQAH-SJORKVTESA-N 2 2 334.508 3.099 10 0 EGAELP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCC1 ZINC001503352566 1396251981 /nfs/dbraw/zinc/25/19/81/1396251981.db2.gz QZQDNHVJBLERKU-HNNXBMFYSA-N 2 2 328.460 3.013 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001690135595 1404331847 /nfs/dbraw/zinc/33/18/47/1404331847.db2.gz MLJJVNQJTSLLTJ-CGTJXYLNSA-N 2 2 346.519 3.262 10 0 EGAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001690135595 1404331848 /nfs/dbraw/zinc/33/18/48/1404331848.db2.gz MLJJVNQJTSLLTJ-CGTJXYLNSA-N 2 2 346.519 3.262 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690541930 1404627707 /nfs/dbraw/zinc/62/77/07/1404627707.db2.gz VUNNCVPSVDHFQW-UFVLYRRUSA-N 2 2 332.492 3.208 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691411893 1405250385 /nfs/dbraw/zinc/25/03/85/1405250385.db2.gz GOYIXYDELVMYDY-KRWDZBQOSA-N 2 2 342.487 3.216 10 0 EGAELP CCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001691427690 1405260664 /nfs/dbraw/zinc/26/06/64/1405260664.db2.gz DDOGYJAJBGWQBI-NEWSRXKRSA-N 2 2 346.519 3.069 10 0 EGAELP CCCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001691427690 1405260668 /nfs/dbraw/zinc/26/06/68/1405260668.db2.gz DDOGYJAJBGWQBI-NEWSRXKRSA-N 2 2 346.519 3.069 10 0 EGAELP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001691666972 1405400889 /nfs/dbraw/zinc/40/08/89/1405400889.db2.gz HXGCKRDHDUUHRM-PKOBYXMFSA-N 2 2 348.535 3.343 10 0 EGAELP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001691848234 1405561821 /nfs/dbraw/zinc/56/18/21/1405561821.db2.gz VHPZFMUUXCPHOB-AEFFLSMTSA-N 2 2 344.503 3.059 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691989149 1405701436 /nfs/dbraw/zinc/70/14/36/1405701436.db2.gz AJLRWGSRPDXRRP-IRXDYDNUSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691989149 1405701440 /nfs/dbraw/zinc/70/14/40/1405701440.db2.gz AJLRWGSRPDXRRP-IRXDYDNUSA-N 2 2 348.535 3.150 10 0 EGAELP CCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001692322839 1405941150 /nfs/dbraw/zinc/94/11/50/1405941150.db2.gz UKQLGTJTAMTHHE-KRWDZBQOSA-N 2 2 334.508 3.088 10 0 EGAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001692323044 1405942189 /nfs/dbraw/zinc/94/21/89/1405942189.db2.gz YVAGUFXHUXOUEB-SZTZYQKNSA-N 2 2 346.862 3.290 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001692329391 1405947865 /nfs/dbraw/zinc/94/78/65/1405947865.db2.gz IBYSJZPWLDGPON-VGOKWCNXSA-N 2 2 332.492 3.059 10 0 EGAELP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692330093 1405948392 /nfs/dbraw/zinc/94/83/92/1405948392.db2.gz URZDVYCYGLLULN-KZNAEPCWSA-N 2 2 346.519 3.075 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001692330314 1405949156 /nfs/dbraw/zinc/94/91/56/1405949156.db2.gz YHHGMIHBUUVMOJ-ZWKOTPCHSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001692330314 1405949162 /nfs/dbraw/zinc/94/91/62/1405949162.db2.gz YHHGMIHBUUVMOJ-ZWKOTPCHSA-N 2 2 348.535 3.385 10 0 EGAELP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001692334380 1405954679 /nfs/dbraw/zinc/95/46/79/1405954679.db2.gz UGWKPILOYUTLHQ-WRFKIARRSA-N 2 2 346.519 3.070 10 0 EGAELP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1)n1cc[nH+]c1 ZINC001732312179 1428524724 /nfs/dbraw/zinc/52/47/24/1428524724.db2.gz QWTNQDIGYYQKKJ-DJIMGWMZSA-N 2 2 346.500 3.113 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CC[C@@H](C)F)CCCC3)ccn12 ZINC001732392829 1428561589 /nfs/dbraw/zinc/56/15/89/1428561589.db2.gz RZYSDXPUUDFZKF-CQSZACIVSA-N 2 2 346.450 3.023 10 0 EGAELP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001732393291 1428561899 /nfs/dbraw/zinc/56/18/99/1428561899.db2.gz KIOMIWWDBPWLAP-OAHLLOKOSA-N 2 2 328.460 3.013 10 0 EGAELP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732526467 1428645968 /nfs/dbraw/zinc/64/59/68/1428645968.db2.gz DEYVKZBOLCTMEA-WMZOPIPTSA-N 2 2 346.519 3.139 10 0 EGAELP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001699186964 1412560224 /nfs/dbraw/zinc/56/02/24/1412560224.db2.gz WDUFTANSFKPWRN-KURKYZTESA-N 2 2 340.471 3.103 10 0 EGAELP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001699186964 1412560225 /nfs/dbraw/zinc/56/02/25/1412560225.db2.gz WDUFTANSFKPWRN-KURKYZTESA-N 2 2 340.471 3.103 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001699581213 1412937117 /nfs/dbraw/zinc/93/71/17/1412937117.db2.gz MIUQGNYSPMFGDG-SFHVURJKSA-N 2 2 342.487 3.487 10 0 EGAELP CC(C)C[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001699655674 1413038410 /nfs/dbraw/zinc/03/84/10/1413038410.db2.gz QGZBASZYXVRYAP-GOSISDBHSA-N 2 2 344.503 3.209 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@](C)(C[NH2+]CCC(C)C)C3)ccn12 ZINC001699834609 1413263564 /nfs/dbraw/zinc/26/35/64/1413263564.db2.gz CHIVGEKUAPVOFE-HXUWFJFHSA-N 2 2 342.487 3.131 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699840707 1413269287 /nfs/dbraw/zinc/26/92/87/1413269287.db2.gz MPCBDLVHOHEYPG-FQEVSTJZSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016109 1413462029 /nfs/dbraw/zinc/46/20/29/1413462029.db2.gz IQLPMCQDDRDXRR-MOPGFXCFSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001700016109 1413462030 /nfs/dbraw/zinc/46/20/30/1413462030.db2.gz IQLPMCQDDRDXRR-MOPGFXCFSA-N 2 2 346.519 3.165 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH2+]CCCC(C)C)CC2)c[nH+]1 ZINC001700283791 1413730457 /nfs/dbraw/zinc/73/04/57/1413730457.db2.gz PCHGPWHSZDJGNG-UHFFFAOYSA-N 2 2 348.535 3.334 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001700316245 1413775587 /nfs/dbraw/zinc/77/55/87/1413775587.db2.gz RSXWWJIVMMFJPQ-JKSUJKDBSA-N 2 2 328.460 3.107 10 0 EGAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001700316245 1413775590 /nfs/dbraw/zinc/77/55/90/1413775590.db2.gz RSXWWJIVMMFJPQ-JKSUJKDBSA-N 2 2 328.460 3.107 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358885 1413867157 /nfs/dbraw/zinc/86/71/57/1413867157.db2.gz BFXRDZFBMYDAIZ-IRXDYDNUSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001700358885 1413867161 /nfs/dbraw/zinc/86/71/61/1413867161.db2.gz BFXRDZFBMYDAIZ-IRXDYDNUSA-N 2 2 334.508 3.193 10 0 EGAELP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001700438236 1414007800 /nfs/dbraw/zinc/00/78/00/1414007800.db2.gz WSHIICRJFKWKDO-UHFFFAOYSA-N 2 2 346.519 3.213 10 0 EGAELP CC1CCC(C[NH2+]CC(C)(C)CN(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001700445255 1414020879 /nfs/dbraw/zinc/02/08/79/1414020879.db2.gz ZPSHLLKOEHAXJZ-UHFFFAOYSA-N 2 2 348.535 3.174 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476800 1414105294 /nfs/dbraw/zinc/10/52/94/1414105294.db2.gz MQBOLXJDBOCNCJ-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476800 1414105297 /nfs/dbraw/zinc/10/52/97/1414105297.db2.gz MQBOLXJDBOCNCJ-ROUUACIJSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476798 1414105375 /nfs/dbraw/zinc/10/53/75/1414105375.db2.gz MQBOLXJDBOCNCJ-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001700476798 1414105378 /nfs/dbraw/zinc/10/53/78/1414105378.db2.gz MQBOLXJDBOCNCJ-MSOLQXFVSA-N 2 2 342.487 3.088 10 0 EGAELP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCC(C)CC1 ZINC001700505414 1414153077 /nfs/dbraw/zinc/15/30/77/1414153077.db2.gz AVPPNZLFEZVRMU-ABHNRTSZSA-N 2 2 348.535 3.241 10 0 EGAELP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001700677583 1414332734 /nfs/dbraw/zinc/33/27/34/1414332734.db2.gz VFCWOFVXDIATPQ-UONOGXRCSA-N 2 2 348.878 3.241 10 0 EGAELP C[C@H](CC(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1)n1cc[nH+]c1 ZINC001700730085 1414393374 /nfs/dbraw/zinc/39/33/74/1414393374.db2.gz IUBBPPSXLCRANT-VQIMIIECSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732715872 1428923795 /nfs/dbraw/zinc/92/37/95/1428923795.db2.gz PNFKHIJAWIITEL-INIZCTEOSA-N 2 2 340.471 3.161 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707048668 1417160695 /nfs/dbraw/zinc/16/06/95/1417160695.db2.gz WUQGTJBANYZOGV-INIZCTEOSA-N 2 2 328.460 3.290 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707048668 1417160697 /nfs/dbraw/zinc/16/06/97/1417160697.db2.gz WUQGTJBANYZOGV-INIZCTEOSA-N 2 2 328.460 3.290 10 0 EGAELP CCC(CC)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001707147442 1417222232 /nfs/dbraw/zinc/22/22/32/1417222232.db2.gz ZABOYKCKDCVJDD-APWZRJJASA-N 2 2 348.535 3.006 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001707417991 1417325772 /nfs/dbraw/zinc/32/57/72/1417325772.db2.gz AMAQPJSBCOKGJW-CQSZACIVSA-N 2 2 348.878 3.113 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001707417991 1417325777 /nfs/dbraw/zinc/32/57/77/1417325777.db2.gz AMAQPJSBCOKGJW-CQSZACIVSA-N 2 2 348.878 3.113 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001707432541 1417336778 /nfs/dbraw/zinc/33/67/78/1417336778.db2.gz LCVMVHQDUJOKPO-WMZOPIPTSA-N 2 2 334.508 3.138 10 0 EGAELP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001707432541 1417336783 /nfs/dbraw/zinc/33/67/83/1417336783.db2.gz LCVMVHQDUJOKPO-WMZOPIPTSA-N 2 2 334.508 3.138 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001733052946 1429193511 /nfs/dbraw/zinc/19/35/11/1429193511.db2.gz GCGSPFIZAZZMGS-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001733052946 1429193512 /nfs/dbraw/zinc/19/35/12/1429193512.db2.gz GCGSPFIZAZZMGS-DLBZAZTESA-N 2 2 348.535 3.487 10 0 EGAELP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713144172 1417726552 /nfs/dbraw/zinc/72/65/52/1417726552.db2.gz UUBINHSCRYFUHT-OKZBNKHCSA-N 2 2 332.492 3.090 10 0 EGAELP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713144172 1417726557 /nfs/dbraw/zinc/72/65/57/1417726557.db2.gz UUBINHSCRYFUHT-OKZBNKHCSA-N 2 2 332.492 3.090 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)C)CC[C@@H]21 ZINC001713184850 1417760212 /nfs/dbraw/zinc/76/02/12/1417760212.db2.gz RRMVZUBUHQEZEH-HKUYNNGSSA-N 2 2 346.519 3.010 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)C)CC[C@@H]21 ZINC001713184850 1417760215 /nfs/dbraw/zinc/76/02/15/1417760215.db2.gz RRMVZUBUHQEZEH-HKUYNNGSSA-N 2 2 346.519 3.010 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257484 1417861059 /nfs/dbraw/zinc/86/10/59/1417861059.db2.gz DAVAWRQYYIMSTG-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257484 1417861064 /nfs/dbraw/zinc/86/10/64/1417861064.db2.gz DAVAWRQYYIMSTG-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001713257484 1417861067 /nfs/dbraw/zinc/86/10/67/1417861067.db2.gz DAVAWRQYYIMSTG-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001713257484 1417861072 /nfs/dbraw/zinc/86/10/72/1417861072.db2.gz DAVAWRQYYIMSTG-VQIMIIECSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001713290089 1417917287 /nfs/dbraw/zinc/91/72/87/1417917287.db2.gz HHYNPSXVKMMWDJ-ZLPCBKJTSA-N 2 2 346.519 3.186 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001713290089 1417917288 /nfs/dbraw/zinc/91/72/88/1417917288.db2.gz HHYNPSXVKMMWDJ-ZLPCBKJTSA-N 2 2 346.519 3.186 10 0 EGAELP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001713638862 1418406060 /nfs/dbraw/zinc/40/60/60/1418406060.db2.gz WZWQDRGPTUNBQC-QGZVFWFLSA-N 2 2 342.487 3.206 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713825773 1418626001 /nfs/dbraw/zinc/62/60/01/1418626001.db2.gz ZUAKDKWERHKGHU-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001713825773 1418626003 /nfs/dbraw/zinc/62/60/03/1418626003.db2.gz ZUAKDKWERHKGHU-ROUUACIJSA-N 2 2 348.535 3.487 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001714085272 1418879296 /nfs/dbraw/zinc/87/92/96/1418879296.db2.gz SVILSKAXJBQDDQ-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001714085272 1418879299 /nfs/dbraw/zinc/87/92/99/1418879299.db2.gz SVILSKAXJBQDDQ-SJORKVTESA-N 2 2 348.535 3.243 10 0 EGAELP COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714131466 1418934977 /nfs/dbraw/zinc/93/49/77/1418934977.db2.gz MWYWEJBMKNDENK-SFHVURJKSA-N 2 2 347.503 3.018 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001714158033 1418968994 /nfs/dbraw/zinc/96/89/94/1418968994.db2.gz WMYVCNJQGLKCQY-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001714158033 1418968999 /nfs/dbraw/zinc/96/89/99/1418968999.db2.gz WMYVCNJQGLKCQY-ROUUACIJSA-N 2 2 348.535 3.006 10 0 EGAELP CC(C)CCC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714257926 1419042248 /nfs/dbraw/zinc/04/22/48/1419042248.db2.gz IBXKBBJSWVHLRJ-MRXNPFEDSA-N 2 2 328.460 3.016 10 0 EGAELP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443255 1419175527 /nfs/dbraw/zinc/17/55/27/1419175527.db2.gz YJDVJSLTALBAIB-RTBURBONSA-N 2 2 346.519 3.359 10 0 EGAELP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714443255 1419175528 /nfs/dbraw/zinc/17/55/28/1419175528.db2.gz YJDVJSLTALBAIB-RTBURBONSA-N 2 2 346.519 3.359 10 0 EGAELP CCCCC[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001715109501 1419852278 /nfs/dbraw/zinc/85/22/78/1419852278.db2.gz JFCURWMSVQYIED-HXUWFJFHSA-N 2 2 342.487 3.321 10 0 EGAELP CC[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715149533 1419894100 /nfs/dbraw/zinc/89/41/00/1419894100.db2.gz UYMIDKYGFYWIDN-IRXDYDNUSA-N 2 2 342.487 3.212 10 0 EGAELP CC(C)(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001715216922 1419949661 /nfs/dbraw/zinc/94/96/61/1419949661.db2.gz JTYYWNRKZRWUPS-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001715216922 1419949672 /nfs/dbraw/zinc/94/96/72/1419949672.db2.gz JTYYWNRKZRWUPS-UHFFFAOYSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC1=CCCCC1 ZINC001715237077 1419968087 /nfs/dbraw/zinc/96/80/87/1419968087.db2.gz FNBDQZJPGCSLGS-AWEZNQCLSA-N 2 2 326.444 3.019 10 0 EGAELP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001715364323 1420061773 /nfs/dbraw/zinc/06/17/73/1420061773.db2.gz CTJDJPPHHADVTF-DLBZAZTESA-N 2 2 342.487 3.033 10 0 EGAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001715372153 1420068529 /nfs/dbraw/zinc/06/85/29/1420068529.db2.gz NMRSHWNVBAMDED-KBPBESRZSA-N 2 2 346.450 3.024 10 0 EGAELP CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001715461515 1420141139 /nfs/dbraw/zinc/14/11/39/1420141139.db2.gz SXCSHDFAGLNLFC-ZWKOTPCHSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C(C)C)c[nH+]1 ZINC001715497058 1420178521 /nfs/dbraw/zinc/17/85/21/1420178521.db2.gz ZCDNDXDFCCWNQB-GOSISDBHSA-N 2 2 348.535 3.237 10 0 EGAELP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715684476 1420293350 /nfs/dbraw/zinc/29/33/50/1420293350.db2.gz HZLNSGXTFPDUOY-GJZGRUSLSA-N 2 2 348.878 3.172 10 0 EGAELP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001715774933 1420338710 /nfs/dbraw/zinc/33/87/10/1420338710.db2.gz MELGWNJTLIVIEG-INIZCTEOSA-N 2 2 342.487 3.077 10 0 EGAELP O=C(NCC=CC[NH2+]CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716309631 1420600108 /nfs/dbraw/zinc/60/01/08/1420600108.db2.gz GLSAQZXLFHIDPA-SNAWJCMRSA-N 2 2 340.471 3.409 10 0 EGAELP O=C(NCC=CC[NH2+]C/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001716310546 1420600676 /nfs/dbraw/zinc/60/06/76/1420600676.db2.gz QEGNQXQSEUNMSB-WEHQGULRSA-N 2 2 346.434 3.152 10 0 EGAELP CN(CCC[NH2+]CCC1CCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001716555322 1420759563 /nfs/dbraw/zinc/75/95/63/1420759563.db2.gz PQAVUFGQBQVFMY-UHFFFAOYSA-N 2 2 342.487 3.356 10 0 EGAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CC4(CCC4)C3)CC2)c(C)[nH+]1 ZINC001716688982 1420841798 /nfs/dbraw/zinc/84/17/98/1420841798.db2.gz MZHAFMFDEFMROY-UHFFFAOYSA-N 2 2 341.499 3.439 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001716723391 1420880884 /nfs/dbraw/zinc/88/08/84/1420880884.db2.gz GOWLSADYOKIIAD-HXUWFJFHSA-N 2 2 346.519 3.155 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001716723391 1420880886 /nfs/dbraw/zinc/88/08/86/1420880886.db2.gz GOWLSADYOKIIAD-HXUWFJFHSA-N 2 2 346.519 3.155 10 0 EGAELP CC1(NC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCC2CCCCC2)CC1 ZINC001716795159 1420928138 /nfs/dbraw/zinc/92/81/38/1420928138.db2.gz HKZPUUOPMDSSNP-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP CC1(NC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCC2CCCCC2)CC1 ZINC001716795159 1420928140 /nfs/dbraw/zinc/92/81/40/1420928140.db2.gz HKZPUUOPMDSSNP-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717198947 1421166520 /nfs/dbraw/zinc/16/65/20/1421166520.db2.gz BYBZFKDGMSACRU-JDTHPWDHSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717198947 1421166525 /nfs/dbraw/zinc/16/65/25/1421166525.db2.gz BYBZFKDGMSACRU-JDTHPWDHSA-N 2 2 332.492 3.161 10 0 EGAELP CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001717241642 1421210115 /nfs/dbraw/zinc/21/01/15/1421210115.db2.gz SWMUHXVXLWYUQL-QGZVFWFLSA-N 2 2 348.535 3.006 10 0 EGAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCCC1CCC1 ZINC001717415238 1421346299 /nfs/dbraw/zinc/34/62/99/1421346299.db2.gz JBNAGOONLASAGF-ZIAGYGMSSA-N 2 2 328.460 3.240 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001733329815 1429514777 /nfs/dbraw/zinc/51/47/77/1429514777.db2.gz UFASOBXGBBQCHL-MBZYTVFJSA-N 2 2 332.492 3.058 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001733329815 1429514780 /nfs/dbraw/zinc/51/47/80/1429514780.db2.gz UFASOBXGBBQCHL-MBZYTVFJSA-N 2 2 332.492 3.058 10 0 EGAELP 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1424272849 /nfs/dbraw/zinc/27/28/49/1424272849.db2.gz WGMUMLMVDZBRAM-QZTJIDSGSA-N 2 2 348.535 3.364 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001733553087 1429752747 /nfs/dbraw/zinc/75/27/47/1429752747.db2.gz HRPGXSXGOXOSSP-WBVHZDCISA-N 2 2 342.487 3.068 10 0 EGAELP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724332164 1424826807 /nfs/dbraw/zinc/82/68/07/1424826807.db2.gz HIEICTJAFUULGV-YLJYHZDGSA-N 2 2 348.535 3.489 10 0 EGAELP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001724332164 1424826816 /nfs/dbraw/zinc/82/68/16/1424826816.db2.gz HIEICTJAFUULGV-YLJYHZDGSA-N 2 2 348.535 3.489 10 0 EGAELP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001724751835 1425121757 /nfs/dbraw/zinc/12/17/57/1425121757.db2.gz XNAIVNXSSQUTRI-INIZCTEOSA-N 2 2 342.487 3.304 10 0 EGAELP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001724758050 1425128644 /nfs/dbraw/zinc/12/86/44/1425128644.db2.gz 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Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378343191 169103628 /nfs/dbraw/zinc/10/36/28/169103628.db2.gz RRXHHTDWRNOBSK-UHFFFAOYSA-N 2 2 325.391 3.319 10 0 EGAELP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675905 218046076 /nfs/dbraw/zinc/04/60/76/218046076.db2.gz JQZMGZKSDRNPIO-YOEHRIQHSA-N 2 2 335.879 3.107 10 0 EGAELP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675905 218046077 /nfs/dbraw/zinc/04/60/77/218046077.db2.gz JQZMGZKSDRNPIO-YOEHRIQHSA-N 2 2 335.879 3.107 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675905 218046078 /nfs/dbraw/zinc/04/60/78/218046078.db2.gz JQZMGZKSDRNPIO-YOEHRIQHSA-N 2 2 335.879 3.107 10 0 EGAELP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675905 218046079 /nfs/dbraw/zinc/04/60/79/218046079.db2.gz JQZMGZKSDRNPIO-YOEHRIQHSA-N 2 2 335.879 3.107 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000346196089 141178284 /nfs/dbraw/zinc/17/82/84/141178284.db2.gz IGJIDCHGXZVAMM-UHFFFAOYSA-N 2 2 326.444 3.111 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000346196089 141178285 /nfs/dbraw/zinc/17/82/85/141178285.db2.gz IGJIDCHGXZVAMM-UHFFFAOYSA-N 2 2 326.444 3.111 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000353330060 141288785 /nfs/dbraw/zinc/28/87/85/141288785.db2.gz KBCQDVNXCWUGEK-UHFFFAOYSA-N 2 2 347.466 3.113 10 0 EGAELP CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647684 144008862 /nfs/dbraw/zinc/00/88/62/144008862.db2.gz NDRGPRBMSXDGPP-QGZVFWFLSA-N 2 2 338.455 3.017 10 0 EGAELP CCc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647684 144008864 /nfs/dbraw/zinc/00/88/64/144008864.db2.gz NDRGPRBMSXDGPP-QGZVFWFLSA-N 2 2 338.455 3.017 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921361 144012691 /nfs/dbraw/zinc/01/26/91/144012691.db2.gz ZTYCLPSJFOETKR-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000171921361 144012692 /nfs/dbraw/zinc/01/26/92/144012692.db2.gz ZTYCLPSJFOETKR-NVXWUHKLSA-N 2 2 337.458 3.128 10 0 EGAELP Cc1c[nH+]ccc1N1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000192571142 144177008 /nfs/dbraw/zinc/17/70/08/144177008.db2.gz VNKJTCBSLHCJAC-UHFFFAOYSA-N 2 2 334.423 3.367 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000351536417 144275788 /nfs/dbraw/zinc/27/57/88/144275788.db2.gz OUXOHTIZOGNLSE-JKSUJKDBSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000351536417 144275790 /nfs/dbraw/zinc/27/57/90/144275790.db2.gz OUXOHTIZOGNLSE-JKSUJKDBSA-N 2 2 342.487 3.114 10 0 EGAELP Cc1c(C)c(C)c(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c(C)c1C ZINC000361634044 144339751 /nfs/dbraw/zinc/33/97/51/144339751.db2.gz ZABLKIYKQHSAJW-UHFFFAOYSA-N 2 2 326.488 3.270 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757704 144363084 /nfs/dbraw/zinc/36/30/84/144363084.db2.gz MMMKLHDYUKTKNN-AZUAARDMSA-N 3 2 338.499 3.384 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000363757704 144363086 /nfs/dbraw/zinc/36/30/86/144363086.db2.gz MMMKLHDYUKTKNN-AZUAARDMSA-N 3 2 338.499 3.384 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000190998271 153171667 /nfs/dbraw/zinc/17/16/67/153171667.db2.gz JSDYMRCLRNKDQT-INIZCTEOSA-N 2 2 339.886 3.081 10 0 EGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000190998271 153171672 /nfs/dbraw/zinc/17/16/72/153171672.db2.gz JSDYMRCLRNKDQT-INIZCTEOSA-N 2 2 339.886 3.081 10 0 EGAELP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460250 154364073 /nfs/dbraw/zinc/36/40/73/154364073.db2.gz ZKWIVRXVPMSVCQ-HUUCEWRRSA-N 2 2 333.476 3.129 10 0 EGAELP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460250 154364076 /nfs/dbraw/zinc/36/40/76/154364076.db2.gz ZKWIVRXVPMSVCQ-HUUCEWRRSA-N 2 2 333.476 3.129 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C/C=C/c3ccccc3)CCC[NH+]2C)cn1 ZINC000341040605 155127820 /nfs/dbraw/zinc/12/78/20/155127820.db2.gz XPIOICSHRWMBEP-WMBINYHTSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C/C=C/c3ccccc3)CCC[NH+]2C)cn1 ZINC000341040605 155127822 /nfs/dbraw/zinc/12/78/22/155127822.db2.gz XPIOICSHRWMBEP-WMBINYHTSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C/C=C/c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000341040605 155127823 /nfs/dbraw/zinc/12/78/23/155127823.db2.gz XPIOICSHRWMBEP-WMBINYHTSA-N 2 2 338.499 3.448 10 0 EGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C/C=C/c3ccccc3)CCC[N@H+]2C)cn1 ZINC000341040605 155127825 /nfs/dbraw/zinc/12/78/25/155127825.db2.gz XPIOICSHRWMBEP-WMBINYHTSA-N 2 2 338.499 3.448 10 0 EGAELP COCCC1(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000372492333 157342875 /nfs/dbraw/zinc/34/28/75/157342875.db2.gz RBIMETLIQQDJHI-UHFFFAOYSA-N 2 2 328.460 3.344 10 0 EGAELP CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000131215233 162393550 /nfs/dbraw/zinc/39/35/50/162393550.db2.gz HKCZZZSXLDCCPO-UHFFFAOYSA-N 2 2 340.471 3.065 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000248399783 163000656 /nfs/dbraw/zinc/00/06/56/163000656.db2.gz KFEUDAZZXCCTDB-DFQSSKMNSA-N 2 2 325.456 3.373 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000248399783 163000659 /nfs/dbraw/zinc/00/06/59/163000659.db2.gz KFEUDAZZXCCTDB-DFQSSKMNSA-N 2 2 325.456 3.373 10 0 EGAELP C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000248444337 163005213 /nfs/dbraw/zinc/00/52/13/163005213.db2.gz WCOQWGZDFXAUPN-BRWVUGGUSA-N 2 2 340.471 3.027 10 0 EGAELP Brc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000248881833 163041385 /nfs/dbraw/zinc/04/13/85/163041385.db2.gz POZBQHQOJAVGPQ-SWLSCSKDSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000248881833 163041387 /nfs/dbraw/zinc/04/13/87/163041387.db2.gz POZBQHQOJAVGPQ-SWLSCSKDSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000248881833 163041388 /nfs/dbraw/zinc/04/13/88/163041388.db2.gz POZBQHQOJAVGPQ-SWLSCSKDSA-N 2 2 339.277 3.491 10 0 EGAELP Brc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000248881833 163041392 /nfs/dbraw/zinc/04/13/92/163041392.db2.gz POZBQHQOJAVGPQ-SWLSCSKDSA-N 2 2 339.277 3.491 10 0 EGAELP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344129760 164109823 /nfs/dbraw/zinc/10/98/23/164109823.db2.gz OSHDJLLNQSLDST-UXHICEINSA-N 2 2 349.563 3.221 10 0 EGAELP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344129760 164109826 /nfs/dbraw/zinc/10/98/26/164109826.db2.gz OSHDJLLNQSLDST-UXHICEINSA-N 2 2 349.563 3.221 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000346172058 164356558 /nfs/dbraw/zinc/35/65/58/164356558.db2.gz LZPWCLJODXWIJF-UHFFFAOYSA-N 2 2 328.366 3.486 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000346172058 164356560 /nfs/dbraw/zinc/35/65/60/164356560.db2.gz LZPWCLJODXWIJF-UHFFFAOYSA-N 2 2 328.366 3.486 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364217 /nfs/dbraw/zinc/36/42/17/164364217.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 2 2 326.488 3.349 10 0 EGAELP CCN(CCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364219 /nfs/dbraw/zinc/36/42/19/164364219.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364221 /nfs/dbraw/zinc/36/42/21/164364221.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 2 2 326.488 3.349 10 0 EGAELP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364223 /nfs/dbraw/zinc/36/42/23/164364223.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 2 2 326.488 3.349 10 0 EGAELP C[NH+](C)C1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000350972713 165087320 /nfs/dbraw/zinc/08/73/20/165087320.db2.gz SKZXFGPKUAWVOL-UHFFFAOYSA-N 2 2 325.456 3.187 10 0 EGAELP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000351004001 165090906 /nfs/dbraw/zinc/09/09/06/165090906.db2.gz WGNYFYODESMDTK-UHFFFAOYSA-N 2 2 332.879 3.360 10 0 EGAELP COCc1cnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352081906 165225097 /nfs/dbraw/zinc/22/50/97/165225097.db2.gz HWCUTFVBXHMGCM-WBVHZDCISA-N 2 2 345.512 3.290 10 0 EGAELP COCc1cnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352081906 165225099 /nfs/dbraw/zinc/22/50/99/165225099.db2.gz HWCUTFVBXHMGCM-WBVHZDCISA-N 2 2 345.512 3.290 10 0 EGAELP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000355339724 166169414 /nfs/dbraw/zinc/16/94/14/166169414.db2.gz VAAUPXJXISYBEW-ROUUACIJSA-N 2 2 348.450 3.234 10 0 EGAELP CCOC(=O)C[C@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000359395627 167145114 /nfs/dbraw/zinc/14/51/14/167145114.db2.gz STPYKKLYSKRLGF-KRWDZBQOSA-N 2 2 335.473 3.391 10 0 EGAELP COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000359532290 167181439 /nfs/dbraw/zinc/18/14/39/167181439.db2.gz SICJWGWAPODXME-CYBMUJFWSA-N 2 2 339.395 3.411 10 0 EGAELP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000366300935 168104170 /nfs/dbraw/zinc/10/41/70/168104170.db2.gz AOTZOKPMGSLOIB-UHFFFAOYSA-N 2 2 344.422 3.051 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020501 266083637 /nfs/dbraw/zinc/08/36/37/266083637.db2.gz DYONUIPBEWJDRT-YPMHNXCESA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020501 266083639 /nfs/dbraw/zinc/08/36/39/266083639.db2.gz DYONUIPBEWJDRT-YPMHNXCESA-N 2 2 347.322 3.272 10 0 EGAELP Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000269808813 266361826 /nfs/dbraw/zinc/36/18/26/266361826.db2.gz VWDPQIUGLUCLLS-UHFFFAOYSA-N 2 2 343.381 3.253 10 0 EGAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989512 266398097 /nfs/dbraw/zinc/39/80/97/266398097.db2.gz GFHCCVOSBJNJME-HKUYNNGSSA-N 2 2 343.515 3.049 10 0 EGAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989512 266398099 /nfs/dbraw/zinc/39/80/99/266398099.db2.gz GFHCCVOSBJNJME-HKUYNNGSSA-N 2 2 343.515 3.049 10 0 EGAELP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OC(F)F)c1 ZINC000271175474 266615063 /nfs/dbraw/zinc/61/50/63/266615063.db2.gz FJLXDACDBLERRJ-UHFFFAOYSA-N 2 2 337.370 3.399 10 0 EGAELP Cc1nc(F)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000278504997 268027284 /nfs/dbraw/zinc/02/72/84/268027284.db2.gz WDOVLZWITCFDBI-UHFFFAOYSA-N 2 2 342.462 3.063 10 0 EGAELP Cc1nc(F)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000278504997 268027288 /nfs/dbraw/zinc/02/72/88/268027288.db2.gz WDOVLZWITCFDBI-UHFFFAOYSA-N 2 2 342.462 3.063 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000359314228 274078079 /nfs/dbraw/zinc/07/80/79/274078079.db2.gz QYAOBSWLWCNKNW-RKLWJJNISA-N 2 2 341.293 3.065 10 0 EGAELP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000359314228 274078080 /nfs/dbraw/zinc/07/80/80/274078080.db2.gz QYAOBSWLWCNKNW-RKLWJJNISA-N 2 2 341.293 3.065 10 0 EGAELP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3nn(-c4ccccc4)cc31)CC2 ZINC000358985981 275073099 /nfs/dbraw/zinc/07/30/99/275073099.db2.gz KYZHFRFXKVGTIJ-QAPCUYQASA-N 2 2 333.439 3.051 10 0 EGAELP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278893066 275285094 /nfs/dbraw/zinc/28/50/94/275285094.db2.gz DXUMBMBGLBFFTP-XNRPHZJLSA-N 2 2 332.473 3.072 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289384287 276331088 /nfs/dbraw/zinc/33/10/88/276331088.db2.gz LRSQWJFDOYBETD-PZJWPPBQSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289384287 276331089 /nfs/dbraw/zinc/33/10/89/276331089.db2.gz LRSQWJFDOYBETD-PZJWPPBQSA-N 2 2 337.467 3.359 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000289414389 276335324 /nfs/dbraw/zinc/33/53/24/276335324.db2.gz PVRZRZOYLFRJTJ-WOJBJXKFSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000289414389 276335326 /nfs/dbraw/zinc/33/53/26/276335326.db2.gz PVRZRZOYLFRJTJ-WOJBJXKFSA-N 2 2 326.488 3.397 10 0 EGAELP Cc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)s1 ZINC000134957043 280946821 /nfs/dbraw/zinc/94/68/21/280946821.db2.gz WXCIMPMKYXQQFZ-MRXNPFEDSA-N 2 2 342.468 3.418 10 0 EGAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075262527 307398736 /nfs/dbraw/zinc/39/87/36/307398736.db2.gz WOUYNCNNHONGPJ-IAGOWNOFSA-N 2 2 340.471 3.314 10 0 EGAELP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000414130747 309062637 /nfs/dbraw/zinc/06/26/37/309062637.db2.gz XXYKUTIPOZHKNR-WMZOPIPTSA-N 2 2 331.435 3.426 10 0 EGAELP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000170986986 307939362 /nfs/dbraw/zinc/93/93/62/307939362.db2.gz VPJOXZWUNRFHTL-SFHVURJKSA-N 2 2 345.531 3.275 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(Br)s1 ZINC000294858800 308265081 /nfs/dbraw/zinc/26/50/81/308265081.db2.gz CXEJXZVDTUANDR-LLVKDONJSA-N 2 2 341.278 3.075 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(Br)s1 ZINC000294858800 308265082 /nfs/dbraw/zinc/26/50/82/308265082.db2.gz CXEJXZVDTUANDR-LLVKDONJSA-N 2 2 341.278 3.075 10 0 EGAELP COc1cccc2c(NCCCC[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302620321 308740741 /nfs/dbraw/zinc/74/07/41/308740741.db2.gz GTBHQEKFDVRLMQ-UHFFFAOYSA-N 2 2 329.444 3.076 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059453 309117381 /nfs/dbraw/zinc/11/73/81/309117381.db2.gz WXEDHEWDOXWGTB-WMLDXEAASA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059453 309117382 /nfs/dbraw/zinc/11/73/82/309117382.db2.gz WXEDHEWDOXWGTB-WMLDXEAASA-N 2 2 336.863 3.091 10 0 EGAELP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415071125 309118386 /nfs/dbraw/zinc/11/83/86/309118386.db2.gz SGNJBWDLXLGWDX-CQSZACIVSA-N 2 2 326.868 3.369 10 0 EGAELP [NH3+][C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1F ZINC000415119950 309121673 /nfs/dbraw/zinc/12/16/73/309121673.db2.gz FWTCJALOHBWGRQ-AZUAARDMSA-N 2 2 328.431 3.411 10 0 EGAELP [NH3+][C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1F ZINC000415119950 309121674 /nfs/dbraw/zinc/12/16/74/309121674.db2.gz FWTCJALOHBWGRQ-AZUAARDMSA-N 2 2 328.431 3.411 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000419284796 309263016 /nfs/dbraw/zinc/26/30/16/309263016.db2.gz CZNLYOYXBKBWGQ-AWEZNQCLSA-N 2 2 333.451 3.068 10 0 EGAELP C[NH2+][C@H]1CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)C1 ZINC000420171710 309276563 /nfs/dbraw/zinc/27/65/63/309276563.db2.gz SFHDNEBLKLAZOG-NSHDSACASA-N 2 2 325.334 3.240 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359050 309284168 /nfs/dbraw/zinc/28/41/68/309284168.db2.gz FNKNEWOYEAJKKU-KKSFZXQISA-N 2 2 337.467 3.242 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359050 309284169 /nfs/dbraw/zinc/28/41/69/309284169.db2.gz FNKNEWOYEAJKKU-KKSFZXQISA-N 2 2 337.467 3.242 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000420371675 309284764 /nfs/dbraw/zinc/28/47/64/309284764.db2.gz KWMZYBLYAKTXNE-UYAOXDASSA-N 2 2 332.488 3.019 10 0 EGAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000420371675 309284765 /nfs/dbraw/zinc/28/47/65/309284765.db2.gz KWMZYBLYAKTXNE-UYAOXDASSA-N 2 2 332.488 3.019 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420401717 309286471 /nfs/dbraw/zinc/28/64/71/309286471.db2.gz PUZVXIDGWPLJTH-ZWKOTPCHSA-N 2 2 329.488 3.014 10 0 EGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420401717 309286472 /nfs/dbraw/zinc/28/64/72/309286472.db2.gz PUZVXIDGWPLJTH-ZWKOTPCHSA-N 2 2 329.488 3.014 10 0 EGAELP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CCCCO1 ZINC000420942896 309302972 /nfs/dbraw/zinc/30/29/72/309302972.db2.gz VWEXRASVVMVEDS-OAQYLSRUSA-N 2 2 346.515 3.300 10 0 EGAELP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CCCCO1 ZINC000420942896 309302973 /nfs/dbraw/zinc/30/29/73/309302973.db2.gz VWEXRASVVMVEDS-OAQYLSRUSA-N 2 2 346.515 3.300 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CCO)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422806051 309369432 /nfs/dbraw/zinc/36/94/32/309369432.db2.gz HQZAIUBFIREHTG-RTBURBONSA-N 2 2 332.488 3.021 10 0 EGAELP c1cc(OC2CCCCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422855117 309372304 /nfs/dbraw/zinc/37/23/04/309372304.db2.gz UWFJEKIRXXTFLQ-LEWJYISDSA-N 2 2 344.499 3.255 10 0 EGAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422860614 309372398 /nfs/dbraw/zinc/37/23/98/309372398.db2.gz IJUZATQLJUBJFA-SCTDSRPQSA-N 2 2 332.488 3.031 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422895840 309374807 /nfs/dbraw/zinc/37/48/07/309374807.db2.gz WYMLWRLXGPNYGU-HKUYNNGSSA-N 2 2 345.512 3.394 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000423004350 309380354 /nfs/dbraw/zinc/38/03/54/309380354.db2.gz ORNAHJWCFMHWQX-QLOJAFMTSA-N 3 2 326.488 3.348 10 0 EGAELP Fc1ccc(C2=CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423036653 309382284 /nfs/dbraw/zinc/38/22/84/309382284.db2.gz AVFSNIQMOQSOFS-XUVXKRRUSA-N 2 2 330.447 3.118 10 0 EGAELP CC[C@H]([NH2+]Cc1ccc(Br)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000423057807 309383623 /nfs/dbraw/zinc/38/36/23/309383623.db2.gz AVMCRIDMDWWQPU-KBPBESRZSA-N 2 2 327.266 3.078 10 0 EGAELP FC1(c2cccc(Cl)c2)CC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423096611 309385779 /nfs/dbraw/zinc/38/57/79/309385779.db2.gz PPLPBOYGELPJAH-QLOLRVAOSA-N 2 2 338.854 3.024 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137455 309387885 /nfs/dbraw/zinc/38/78/85/309387885.db2.gz QZYZASBKSRSSRJ-LEWJYISDSA-N 3 2 345.531 3.344 10 0 EGAELP COc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137457 309387993 /nfs/dbraw/zinc/38/79/93/309387993.db2.gz QZYZASBKSRSSRJ-RTWAWAEBSA-N 3 2 345.531 3.344 10 0 EGAELP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccnn1-c1ccccc1 ZINC000423189497 309389811 /nfs/dbraw/zinc/38/98/11/309389811.db2.gz POHIYHRGTKHIJO-QGZVFWFLSA-N 2 2 335.455 3.098 10 0 EGAELP c1cc(NC2CCC(OC3CCCC3)CC2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423230752 309391344 /nfs/dbraw/zinc/39/13/44/309391344.db2.gz JWUADXYRNSDDON-UHFFFAOYSA-N 2 2 344.503 3.174 10 0 EGAELP CCOc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423237057 309391898 /nfs/dbraw/zinc/39/18/98/309391898.db2.gz SNXYDMULVVKQNN-HNNXBMFYSA-N 2 2 326.444 3.063 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423293639 309394300 /nfs/dbraw/zinc/39/43/00/309394300.db2.gz RUXORLAOARHCHD-FIKGOQFSSA-N 3 2 338.499 3.102 10 0 EGAELP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423293639 309394301 /nfs/dbraw/zinc/39/43/01/309394301.db2.gz RUXORLAOARHCHD-FIKGOQFSSA-N 3 2 338.499 3.102 10 0 EGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(Br)c1 ZINC000423390334 309398471 /nfs/dbraw/zinc/39/84/71/309398471.db2.gz KANFZSCZNJCKDE-JRPNMDOOSA-N 2 2 327.266 3.106 10 0 EGAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423506758 309403782 /nfs/dbraw/zinc/40/37/82/309403782.db2.gz PJBGEAYFAIHDKY-QRWLVFNGSA-N 2 2 335.455 3.180 10 0 EGAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000424144293 309430733 /nfs/dbraw/zinc/43/07/33/309430733.db2.gz LBDYWSMACYPFMF-HNNXBMFYSA-N 2 2 332.835 3.013 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552337 310006179 /nfs/dbraw/zinc/00/61/79/310006179.db2.gz UZIDDDAIKWVUDT-GOSISDBHSA-N 2 2 326.488 3.418 10 0 EGAELP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552337 310006180 /nfs/dbraw/zinc/00/61/80/310006180.db2.gz UZIDDDAIKWVUDT-GOSISDBHSA-N 2 2 326.488 3.418 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000449099946 310036967 /nfs/dbraw/zinc/03/69/67/310036967.db2.gz PKWBSRSZLSAORC-OAHLLOKOSA-N 2 2 348.441 3.463 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450697182 310137903 /nfs/dbraw/zinc/13/79/03/310137903.db2.gz MOFAYTHPMXBBAN-WMLDXEAASA-N 2 2 342.512 3.416 10 0 EGAELP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450697182 310137904 /nfs/dbraw/zinc/13/79/04/310137904.db2.gz MOFAYTHPMXBBAN-WMLDXEAASA-N 2 2 342.512 3.416 10 0 EGAELP CCN(CCOC)c1cccc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)[nH+]1 ZINC000450994951 310154234 /nfs/dbraw/zinc/15/42/34/310154234.db2.gz CRZMVIXKJPMYRK-JKSUJKDBSA-N 2 2 342.487 3.170 10 0 EGAELP FC(F)(F)Oc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000451147249 310162707 /nfs/dbraw/zinc/16/27/07/310162707.db2.gz MUKYCECQOILRAP-UHFFFAOYSA-N 2 2 325.334 3.451 10 0 EGAELP COC1([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000453078141 310256544 /nfs/dbraw/zinc/25/65/44/310256544.db2.gz BPWJWCYRAACESR-ICSRJNTNSA-N 2 2 346.515 3.306 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCO1 ZINC000453244418 310266520 /nfs/dbraw/zinc/26/65/20/310266520.db2.gz DNEFXXLVMMQUHZ-JVPBZIDWSA-N 2 2 345.874 3.300 10 0 EGAELP Clc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCO1 ZINC000453244418 310266521 /nfs/dbraw/zinc/26/65/21/310266521.db2.gz DNEFXXLVMMQUHZ-JVPBZIDWSA-N 2 2 345.874 3.300 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251792 310266782 /nfs/dbraw/zinc/26/67/82/310266782.db2.gz BMFBIOCSTSGFIG-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(OC(F)(F)F)c1 ZINC000453251792 310266783 /nfs/dbraw/zinc/26/67/83/310266783.db2.gz BMFBIOCSTSGFIG-DZGCQCFKSA-N 2 2 346.393 3.083 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270245 310268218 /nfs/dbraw/zinc/26/82/18/310268218.db2.gz SDNMKILYXCBASD-LAUBAEHRSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270245 310268219 /nfs/dbraw/zinc/26/82/19/310268219.db2.gz SDNMKILYXCBASD-LAUBAEHRSA-N 2 2 339.483 3.246 10 0 EGAELP Cc1cc(Br)c(C[NH2+]CCc2cn(C)c[nH+]2)cc1Cl ZINC000459672664 310567803 /nfs/dbraw/zinc/56/78/03/310567803.db2.gz XSDQQVFCQKCYCL-UHFFFAOYSA-N 2 2 342.668 3.477 10 0 EGAELP Cc1ccc2[nH+]cc(CNc3[nH+]c4cc(Cl)ccc4n3C)n2c1 ZINC000463493930 310613451 /nfs/dbraw/zinc/61/34/51/310613451.db2.gz GIDABHPJMZVBSP-UHFFFAOYSA-N 2 2 325.803 3.217 10 0 EGAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000488435258 311065431 /nfs/dbraw/zinc/06/54/31/311065431.db2.gz PJLTUVPQGBEYHN-GOSISDBHSA-N 2 2 336.451 3.094 10 0 EGAELP CO[C@H](C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000528404745 313085995 /nfs/dbraw/zinc/08/59/95/313085995.db2.gz IUHKDSWCJOGTJA-GOSISDBHSA-N 2 2 329.419 3.039 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528430958 313092498 /nfs/dbraw/zinc/09/24/98/313092498.db2.gz YTMTUYQUWYGYRY-OBXNSHGQSA-N 2 2 339.483 3.298 10 0 EGAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528430958 313092503 /nfs/dbraw/zinc/09/25/03/313092503.db2.gz YTMTUYQUWYGYRY-OBXNSHGQSA-N 2 2 339.483 3.298 10 0 EGAELP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)cc1OC ZINC000529525639 313342594 /nfs/dbraw/zinc/34/25/94/313342594.db2.gz ZBDMHROOEJSHAE-ZDUSSCGKSA-N 2 2 333.407 3.336 10 0 EGAELP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)cc1OC ZINC000529525639 313342596 /nfs/dbraw/zinc/34/25/96/313342596.db2.gz ZBDMHROOEJSHAE-ZDUSSCGKSA-N 2 2 333.407 3.336 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000540143899 314365211 /nfs/dbraw/zinc/36/52/11/314365211.db2.gz JGOMMPXWTLYTBE-RWSFTLGLSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000540143899 314365214 /nfs/dbraw/zinc/36/52/14/314365214.db2.gz JGOMMPXWTLYTBE-RWSFTLGLSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000540156138 314366151 /nfs/dbraw/zinc/36/61/51/314366151.db2.gz DTBANYDXQGGKKW-RWSFTLGLSA-N 2 2 329.257 3.059 10 0 EGAELP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000540156138 314366155 /nfs/dbraw/zinc/36/61/55/314366155.db2.gz DTBANYDXQGGKKW-RWSFTLGLSA-N 2 2 329.257 3.059 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000555586176 315392220 /nfs/dbraw/zinc/39/22/20/315392220.db2.gz HSWFVYUHESSCPX-QWHCGFSZSA-N 2 2 346.272 3.177 10 0 EGAELP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000555586176 315392222 /nfs/dbraw/zinc/39/22/22/315392222.db2.gz HSWFVYUHESSCPX-QWHCGFSZSA-N 2 2 346.272 3.177 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212660 317022624 /nfs/dbraw/zinc/02/26/24/317022624.db2.gz VVPGPJSUZPPILU-ICSRJNTNSA-N 3 2 338.499 3.306 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cn1cc[nH+]c1 ZINC000570212660 317022627 /nfs/dbraw/zinc/02/26/27/317022627.db2.gz VVPGPJSUZPPILU-ICSRJNTNSA-N 3 2 338.499 3.306 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792645 317108096 /nfs/dbraw/zinc/10/80/96/317108096.db2.gz ZHJIKDGKUKXGNZ-SXLOBPIMSA-N 3 2 329.532 3.265 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792645 317108100 /nfs/dbraw/zinc/10/81/00/317108100.db2.gz ZHJIKDGKUKXGNZ-SXLOBPIMSA-N 3 2 329.532 3.265 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc3ccccn32)cc1 ZINC000183805891 323631648 /nfs/dbraw/zinc/63/16/48/323631648.db2.gz OESVDOVFJSTTRF-AWEZNQCLSA-N 2 2 332.411 3.074 10 0 EGAELP CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nn1 ZINC000576504510 324626584 /nfs/dbraw/zinc/62/65/84/324626584.db2.gz RFKVXGWKSDGHOA-UHFFFAOYSA-N 2 2 330.461 3.131 10 0 EGAELP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000579972163 325185792 /nfs/dbraw/zinc/18/57/92/325185792.db2.gz OZRMUNMEHQOTAJ-UHFFFAOYSA-N 2 2 340.515 3.414 10 0 EGAELP Cn1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135441 325206366 /nfs/dbraw/zinc/20/63/66/325206366.db2.gz AVZJLJYTVYJTMA-RDTXWAMCSA-N 2 2 341.846 3.033 10 0 EGAELP Cn1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccc(Cl)cc2)n1 ZINC000580135441 325206369 /nfs/dbraw/zinc/20/63/69/325206369.db2.gz AVZJLJYTVYJTMA-RDTXWAMCSA-N 2 2 341.846 3.033 10 0 EGAELP Cc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180656718 455219973 /nfs/dbraw/zinc/21/99/73/455219973.db2.gz ZWTPUGMZDGLMLX-MRXNPFEDSA-N 2 2 334.423 3.470 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCCCCC1 ZINC000180664567 455221953 /nfs/dbraw/zinc/22/19/53/455221953.db2.gz CMRGVQXSQMXKOM-DLBZAZTESA-N 2 2 340.471 3.314 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000631834508 460576278 /nfs/dbraw/zinc/57/62/78/460576278.db2.gz YTDUKDWFYDYUKO-GOSISDBHSA-N 2 2 325.456 3.364 10 0 EGAELP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000631834508 460576285 /nfs/dbraw/zinc/57/62/85/460576285.db2.gz YTDUKDWFYDYUKO-GOSISDBHSA-N 2 2 325.456 3.364 10 0 EGAELP CCn1c(C)nnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158918040 455337428 /nfs/dbraw/zinc/33/74/28/455337428.db2.gz LQHDCHUJQFQIKB-INIZCTEOSA-N 2 2 333.524 3.083 10 0 EGAELP CCn1c(C)nnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158918040 455337433 /nfs/dbraw/zinc/33/74/33/455337433.db2.gz LQHDCHUJQFQIKB-INIZCTEOSA-N 2 2 333.524 3.083 10 0 EGAELP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886434 460588883 /nfs/dbraw/zinc/58/88/83/460588883.db2.gz HBWVXWPBBZWPMM-HOCLYGCPSA-N 2 2 346.862 3.006 10 0 EGAELP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886434 460588892 /nfs/dbraw/zinc/58/88/92/460588892.db2.gz HBWVXWPBBZWPMM-HOCLYGCPSA-N 2 2 346.862 3.006 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631890243 460589419 /nfs/dbraw/zinc/58/94/19/460589419.db2.gz QFQGRVMMAYNKSZ-YOEHRIQHSA-N 2 2 343.496 3.393 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631890243 460589425 /nfs/dbraw/zinc/58/94/25/460589425.db2.gz QFQGRVMMAYNKSZ-YOEHRIQHSA-N 2 2 343.496 3.393 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679776 455353806 /nfs/dbraw/zinc/35/38/06/455353806.db2.gz IQBNEOWUVRWBKG-NLXHMFRLSA-N 2 2 339.527 3.397 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1C1CC1 ZINC000245679776 455353810 /nfs/dbraw/zinc/35/38/10/455353810.db2.gz IQBNEOWUVRWBKG-NLXHMFRLSA-N 2 2 339.527 3.397 10 0 EGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573513 460620495 /nfs/dbraw/zinc/62/04/95/460620495.db2.gz LLATVYORUBSINA-BXUZGUMPSA-N 2 2 331.287 3.489 10 0 EGAELP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623573513 460620502 /nfs/dbraw/zinc/62/05/02/460620502.db2.gz LLATVYORUBSINA-BXUZGUMPSA-N 2 2 331.287 3.489 10 0 EGAELP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(OC)c1OC ZINC000069653387 454128644 /nfs/dbraw/zinc/12/86/44/454128644.db2.gz KIJLIAMPBVWCDC-UHFFFAOYSA-N 2 2 345.443 3.089 10 0 EGAELP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000057827540 454149468 /nfs/dbraw/zinc/14/94/68/454149468.db2.gz LDQPREZIAPXCDI-UHFFFAOYSA-N 2 2 348.450 3.250 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000623614398 460641174 /nfs/dbraw/zinc/64/11/74/460641174.db2.gz CQTJUFJKHLXSQV-FQEVSTJZSA-N 3 2 345.531 3.124 10 0 EGAELP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000623614398 460641181 /nfs/dbraw/zinc/64/11/81/460641181.db2.gz CQTJUFJKHLXSQV-FQEVSTJZSA-N 3 2 345.531 3.124 10 0 EGAELP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091669111 454454531 /nfs/dbraw/zinc/45/45/31/454454531.db2.gz VNDYXFRVAFNIJP-UHFFFAOYSA-N 2 2 326.488 3.074 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960588 454495347 /nfs/dbraw/zinc/49/53/47/454495347.db2.gz MXVRMMZJABNPKU-HIFRSBDPSA-N 2 2 335.883 3.477 10 0 EGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960588 454495353 /nfs/dbraw/zinc/49/53/53/454495353.db2.gz MXVRMMZJABNPKU-HIFRSBDPSA-N 2 2 335.883 3.477 10 0 EGAELP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623615351 460642608 /nfs/dbraw/zinc/64/26/08/460642608.db2.gz ZXRSEYUJJRLBKA-FPOVZHCZSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623615351 460642615 /nfs/dbraw/zinc/64/26/15/460642615.db2.gz ZXRSEYUJJRLBKA-FPOVZHCZSA-N 2 2 344.499 3.351 10 0 EGAELP CC[N@H+](CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C1CC1 ZINC000123192149 454612766 /nfs/dbraw/zinc/61/27/66/454612766.db2.gz AFXOXJIKGQODMS-CQSZACIVSA-N 2 2 327.472 3.108 10 0 EGAELP CC[N@@H+](CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C1CC1 ZINC000123192149 454612772 /nfs/dbraw/zinc/61/27/72/454612772.db2.gz AFXOXJIKGQODMS-CQSZACIVSA-N 2 2 327.472 3.108 10 0 EGAELP Cc1cn2c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c(C)nc2s1 ZINC000092812833 454638399 /nfs/dbraw/zinc/63/83/99/454638399.db2.gz OTZFZQHZNUQSQE-OAHLLOKOSA-N 2 2 341.484 3.342 10 0 EGAELP Cc1cn2c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c(C)nc2s1 ZINC000092812833 454638406 /nfs/dbraw/zinc/63/84/06/454638406.db2.gz OTZFZQHZNUQSQE-OAHLLOKOSA-N 2 2 341.484 3.342 10 0 EGAELP CCn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2cc(F)ccc21 ZINC000080960463 454658143 /nfs/dbraw/zinc/65/81/43/454658143.db2.gz SZQJRKZKEAMPNN-CYBMUJFWSA-N 2 2 327.407 3.298 10 0 EGAELP CCn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2cc(F)ccc21 ZINC000080960463 454658148 /nfs/dbraw/zinc/65/81/48/454658148.db2.gz SZQJRKZKEAMPNN-CYBMUJFWSA-N 2 2 327.407 3.298 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000106216606 454686589 /nfs/dbraw/zinc/68/65/89/454686589.db2.gz FFBSYFFMBIDSPS-SFHVURJKSA-N 2 2 340.471 3.284 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000106216606 454686591 /nfs/dbraw/zinc/68/65/91/454686591.db2.gz FFBSYFFMBIDSPS-SFHVURJKSA-N 2 2 340.471 3.284 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139871513 454813278 /nfs/dbraw/zinc/81/32/78/454813278.db2.gz LAQLZOSJJYJNLF-IEBWSBKVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139871513 454813281 /nfs/dbraw/zinc/81/32/81/454813281.db2.gz LAQLZOSJJYJNLF-IEBWSBKVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139871513 454813285 /nfs/dbraw/zinc/81/32/85/454813285.db2.gz LAQLZOSJJYJNLF-IEBWSBKVSA-N 2 2 329.488 3.165 10 0 EGAELP CC(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139871513 454813290 /nfs/dbraw/zinc/81/32/90/454813290.db2.gz LAQLZOSJJYJNLF-IEBWSBKVSA-N 2 2 329.488 3.165 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000163353494 454842266 /nfs/dbraw/zinc/84/22/66/454842266.db2.gz HIUIAYHRDGKMDM-UKRRQHHQSA-N 2 2 328.403 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000163353494 454842271 /nfs/dbraw/zinc/84/22/71/454842271.db2.gz HIUIAYHRDGKMDM-UKRRQHHQSA-N 2 2 328.403 3.049 10 0 EGAELP Oc1cccc2c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]c12 ZINC000170603385 454939718 /nfs/dbraw/zinc/93/97/18/454939718.db2.gz ZXASSCCEDOGCCO-UHFFFAOYSA-N 2 2 349.434 3.385 10 0 EGAELP CCc1noc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000114746203 454975677 /nfs/dbraw/zinc/97/56/77/454975677.db2.gz AUNPOXOJZRCVGP-OAHLLOKOSA-N 2 2 328.460 3.469 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178837790 454982330 /nfs/dbraw/zinc/98/23/30/454982330.db2.gz XQOLQDONBQMCBA-MRXNPFEDSA-N 2 2 327.428 3.036 10 0 EGAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178837790 454982333 /nfs/dbraw/zinc/98/23/33/454982333.db2.gz XQOLQDONBQMCBA-MRXNPFEDSA-N 2 2 327.428 3.036 10 0 EGAELP c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)[nH+]c1 ZINC000156214601 455094099 /nfs/dbraw/zinc/09/40/99/455094099.db2.gz KXVGLKGDIIOEOY-UHFFFAOYSA-N 3 2 342.531 3.437 10 0 EGAELP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129052956 455096060 /nfs/dbraw/zinc/09/60/60/455096060.db2.gz VIORZXQWIOUAGC-OXJNMPFZSA-N 2 2 346.434 3.328 10 0 EGAELP COc1cc2c(c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000180120747 455135629 /nfs/dbraw/zinc/13/56/29/455135629.db2.gz ACNCSXPIYKJOMV-RDTXWAMCSA-N 2 2 341.455 3.188 10 0 EGAELP COc1cc2c(c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000180120747 455135632 /nfs/dbraw/zinc/13/56/32/455135632.db2.gz ACNCSXPIYKJOMV-RDTXWAMCSA-N 2 2 341.455 3.188 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245431874 455296717 /nfs/dbraw/zinc/29/67/17/455296717.db2.gz OHYYGECNZJMSSM-VQIMIIECSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245431874 455296723 /nfs/dbraw/zinc/29/67/23/455296723.db2.gz OHYYGECNZJMSSM-VQIMIIECSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245431874 455296726 /nfs/dbraw/zinc/29/67/26/455296726.db2.gz OHYYGECNZJMSSM-VQIMIIECSA-N 2 2 345.531 3.412 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245431874 455296730 /nfs/dbraw/zinc/29/67/30/455296730.db2.gz OHYYGECNZJMSSM-VQIMIIECSA-N 2 2 345.531 3.412 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440365 455300152 /nfs/dbraw/zinc/30/01/52/455300152.db2.gz UMJARUWWBPHFGM-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440365 455300155 /nfs/dbraw/zinc/30/01/55/455300155.db2.gz UMJARUWWBPHFGM-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440365 455300158 /nfs/dbraw/zinc/30/01/58/455300158.db2.gz UMJARUWWBPHFGM-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000245440365 455300160 /nfs/dbraw/zinc/30/01/60/455300160.db2.gz UMJARUWWBPHFGM-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183607393 455311601 /nfs/dbraw/zinc/31/16/01/455311601.db2.gz QZYPZGXZWQDVDW-VXGBXAGGSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000183607393 455311603 /nfs/dbraw/zinc/31/16/03/455311603.db2.gz QZYPZGXZWQDVDW-VXGBXAGGSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183607393 455311604 /nfs/dbraw/zinc/31/16/04/455311604.db2.gz QZYPZGXZWQDVDW-VXGBXAGGSA-N 2 2 333.423 3.386 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183607393 455311605 /nfs/dbraw/zinc/31/16/05/455311605.db2.gz QZYPZGXZWQDVDW-VXGBXAGGSA-N 2 2 333.423 3.386 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648225 455348262 /nfs/dbraw/zinc/34/82/62/455348262.db2.gz JHJSDWUUCLUUSU-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648225 455348264 /nfs/dbraw/zinc/34/82/64/455348264.db2.gz JHJSDWUUCLUUSU-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648225 455348265 /nfs/dbraw/zinc/34/82/65/455348265.db2.gz JHJSDWUUCLUUSU-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000245648225 455348267 /nfs/dbraw/zinc/34/82/67/455348267.db2.gz JHJSDWUUCLUUSU-PXNSSMCTSA-N 2 2 326.488 3.094 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@@H](C)C1 ZINC000245764156 455375112 /nfs/dbraw/zinc/37/51/12/455375112.db2.gz QKDABRHALNWBEA-KHYOSLBOSA-N 2 2 332.488 3.181 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@@H](C)C1 ZINC000245764156 455375117 /nfs/dbraw/zinc/37/51/17/455375117.db2.gz QKDABRHALNWBEA-KHYOSLBOSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@@H](C)C1 ZINC000245764156 455375123 /nfs/dbraw/zinc/37/51/23/455375123.db2.gz QKDABRHALNWBEA-KHYOSLBOSA-N 2 2 332.488 3.181 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)[C@@H](C)C1 ZINC000245764156 455375127 /nfs/dbraw/zinc/37/51/27/455375127.db2.gz QKDABRHALNWBEA-KHYOSLBOSA-N 2 2 332.488 3.181 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(O)c1 ZINC000247021498 455545859 /nfs/dbraw/zinc/54/58/59/455545859.db2.gz MWGWLUDBIFLJLN-TWOQFEAHSA-N 2 2 325.456 3.348 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(O)c1 ZINC000247021498 455545862 /nfs/dbraw/zinc/54/58/62/455545862.db2.gz MWGWLUDBIFLJLN-TWOQFEAHSA-N 2 2 325.456 3.348 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251075 455579102 /nfs/dbraw/zinc/57/91/02/455579102.db2.gz ZSLNGPJCELFFLF-HIFRSBDPSA-N 2 2 347.894 3.222 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251075 455579108 /nfs/dbraw/zinc/57/91/08/455579108.db2.gz ZSLNGPJCELFFLF-HIFRSBDPSA-N 2 2 347.894 3.222 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000192448241 455619464 /nfs/dbraw/zinc/61/94/64/455619464.db2.gz CUFRCMFVLSVPOR-GRERDSQWSA-N 2 2 344.499 3.363 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000192448241 455619470 /nfs/dbraw/zinc/61/94/70/455619470.db2.gz CUFRCMFVLSVPOR-GRERDSQWSA-N 2 2 344.499 3.363 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000247804319 455647011 /nfs/dbraw/zinc/64/70/11/455647011.db2.gz SEXKPEMYHQCGFP-KURKYZTESA-N 2 2 346.519 3.120 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000247804319 455647017 /nfs/dbraw/zinc/64/70/17/455647017.db2.gz SEXKPEMYHQCGFP-KURKYZTESA-N 2 2 346.519 3.120 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284292803 455664101 /nfs/dbraw/zinc/66/41/01/455664101.db2.gz OAULBXNIBJAPTL-NQIIRXRSSA-N 2 2 334.467 3.151 10 0 EGAELP Cn1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284292803 455664103 /nfs/dbraw/zinc/66/41/03/455664103.db2.gz OAULBXNIBJAPTL-NQIIRXRSSA-N 2 2 334.467 3.151 10 0 EGAELP C[C@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000248586332 455721441 /nfs/dbraw/zinc/72/14/41/455721441.db2.gz RACMMTTZSSKKOR-BWTSREIZSA-N 2 2 349.563 3.125 10 0 EGAELP CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268910327 455727384 /nfs/dbraw/zinc/72/73/84/455727384.db2.gz NBGUBOFYDYYMMV-UHFFFAOYSA-N 2 2 342.443 3.017 10 0 EGAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)CC2 ZINC000626857604 460689165 /nfs/dbraw/zinc/68/91/65/460689165.db2.gz XETVTHAJAYJIKW-ZDUSSCGKSA-N 2 2 346.862 3.108 10 0 EGAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000249420366 455754889 /nfs/dbraw/zinc/75/48/89/455754889.db2.gz HLCRDZFVRHOVLW-HOCLYGCPSA-N 2 2 349.450 3.194 10 0 EGAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000249420366 455754897 /nfs/dbraw/zinc/75/48/97/455754897.db2.gz HLCRDZFVRHOVLW-HOCLYGCPSA-N 2 2 349.450 3.194 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000252696157 455829220 /nfs/dbraw/zinc/82/92/20/455829220.db2.gz MYPXKOLKLMRJMX-IHPCNDPISA-N 2 2 333.520 3.069 10 0 EGAELP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000252696157 455829222 /nfs/dbraw/zinc/82/92/22/455829222.db2.gz MYPXKOLKLMRJMX-IHPCNDPISA-N 2 2 333.520 3.069 10 0 EGAELP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253416034 455840883 /nfs/dbraw/zinc/84/08/83/455840883.db2.gz NSBLRDUUYODXFV-RTWAWAEBSA-N 2 2 340.515 3.204 10 0 EGAELP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000253416034 455840886 /nfs/dbraw/zinc/84/08/86/455840886.db2.gz NSBLRDUUYODXFV-RTWAWAEBSA-N 2 2 340.515 3.204 10 0 EGAELP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCS2 ZINC000187050287 455866821 /nfs/dbraw/zinc/86/68/21/455866821.db2.gz KJIHADOUEXXXRJ-WMZOPIPTSA-N 2 2 334.529 3.277 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000280082118 455886458 /nfs/dbraw/zinc/88/64/58/455886458.db2.gz ACGXVPGYTYWLGH-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000280082118 455886461 /nfs/dbraw/zinc/88/64/61/455886461.db2.gz ACGXVPGYTYWLGH-KXBFYZLASA-N 2 2 339.418 3.291 10 0 EGAELP COc1ccc(C[C@H](C)C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000187498271 455918016 /nfs/dbraw/zinc/91/80/16/455918016.db2.gz CYNSPUQGRFEURO-HNNXBMFYSA-N 2 2 331.435 3.500 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3noc(C(C)(C)C)n3)C2)[nH+]1 ZINC000195516299 455976344 /nfs/dbraw/zinc/97/63/44/455976344.db2.gz BKINMIWAVIUXHC-CQSZACIVSA-N 2 2 329.448 3.005 10 0 EGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3noc(C(C)(C)C)n3)C2)[nH+]1 ZINC000195516299 455976349 /nfs/dbraw/zinc/97/63/49/455976349.db2.gz BKINMIWAVIUXHC-CQSZACIVSA-N 2 2 329.448 3.005 10 0 EGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262270293 456019952 /nfs/dbraw/zinc/01/99/52/456019952.db2.gz IGACKSKORSUGDW-OAGGEKHMSA-N 2 2 349.906 3.063 10 0 EGAELP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188266920 456032744 /nfs/dbraw/zinc/03/27/44/456032744.db2.gz UKEODQRCDAXGBS-QZTJIDSGSA-N 2 2 330.451 3.348 10 0 EGAELP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188266920 456032746 /nfs/dbraw/zinc/03/27/46/456032746.db2.gz UKEODQRCDAXGBS-QZTJIDSGSA-N 2 2 330.451 3.348 10 0 EGAELP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741060 456202301 /nfs/dbraw/zinc/20/23/01/456202301.db2.gz XVTAVBSQTQYWHM-HZPDHXFCSA-N 2 2 345.874 3.314 10 0 EGAELP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000301741060 456202309 /nfs/dbraw/zinc/20/23/09/456202309.db2.gz XVTAVBSQTQYWHM-HZPDHXFCSA-N 2 2 345.874 3.314 10 0 EGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297555703 456251098 /nfs/dbraw/zinc/25/10/98/456251098.db2.gz GWCBMPUNWCYBAU-SFHVURJKSA-N 3 2 338.499 3.161 10 0 EGAELP C1CCC([N@@H+]2CCC[C@H]2c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761212 456259700 /nfs/dbraw/zinc/25/97/00/456259700.db2.gz VTOIUQYCVXKCKY-YESZJQIVSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([N@H+]2CCC[C@H]2c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761212 456259708 /nfs/dbraw/zinc/25/97/08/456259708.db2.gz VTOIUQYCVXKCKY-YESZJQIVSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761212 456259714 /nfs/dbraw/zinc/25/97/14/456259714.db2.gz VTOIUQYCVXKCKY-YESZJQIVSA-N 2 2 346.475 3.075 10 0 EGAELP C1CCC([NH+]2CCC[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)C1 ZINC000333761212 456259720 /nfs/dbraw/zinc/25/97/20/456259720.db2.gz VTOIUQYCVXKCKY-YESZJQIVSA-N 2 2 346.475 3.075 10 0 EGAELP CCc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000302048515 456275587 /nfs/dbraw/zinc/27/55/87/456275587.db2.gz MHFDVRVEVPIVIG-CZUORRHYSA-N 2 2 346.500 3.283 10 0 EGAELP CCc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000302048515 456275589 /nfs/dbraw/zinc/27/55/89/456275589.db2.gz MHFDVRVEVPIVIG-CZUORRHYSA-N 2 2 346.500 3.283 10 0 EGAELP CCc1cnc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)s1 ZINC000347770381 456358753 /nfs/dbraw/zinc/35/87/53/456358753.db2.gz AXWCXAQVUBNWRQ-UHFFFAOYSA-N 2 2 330.501 3.164 10 0 EGAELP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000340289992 456366170 /nfs/dbraw/zinc/36/61/70/456366170.db2.gz XDBLYSXMDZHDRH-MSOLQXFVSA-N 2 2 325.447 3.032 10 0 EGAELP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000340289992 456366173 /nfs/dbraw/zinc/36/61/73/456366173.db2.gz XDBLYSXMDZHDRH-MSOLQXFVSA-N 2 2 325.447 3.032 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000343040842 456367970 /nfs/dbraw/zinc/36/79/70/456367970.db2.gz UGUNNLXCJINYHI-UHFFFAOYSA-N 2 2 325.456 3.119 10 0 EGAELP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282065072 456404530 /nfs/dbraw/zinc/40/45/30/456404530.db2.gz MWDVYKSNVIMJIM-CQSZACIVSA-N 2 2 343.475 3.280 10 0 EGAELP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282065072 456404537 /nfs/dbraw/zinc/40/45/37/456404537.db2.gz MWDVYKSNVIMJIM-CQSZACIVSA-N 2 2 343.475 3.280 10 0 EGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000347855330 456407287 /nfs/dbraw/zinc/40/72/87/456407287.db2.gz AFAGZZTYMGVHDZ-QGZVFWFLSA-N 2 2 331.504 3.195 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000276268308 456429599 /nfs/dbraw/zinc/42/95/99/456429599.db2.gz RVGRRQSJIZOFJW-KBPBESRZSA-N 2 2 341.377 3.122 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000276268308 456429606 /nfs/dbraw/zinc/42/96/06/456429606.db2.gz RVGRRQSJIZOFJW-KBPBESRZSA-N 2 2 341.377 3.122 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265705 456597990 /nfs/dbraw/zinc/59/79/90/456597990.db2.gz AMSZOKLDKYSAGQ-HNAYVOBHSA-N 2 2 332.488 3.118 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265705 456597996 /nfs/dbraw/zinc/59/79/96/456597996.db2.gz AMSZOKLDKYSAGQ-HNAYVOBHSA-N 2 2 332.488 3.118 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324625548 456670636 /nfs/dbraw/zinc/67/06/36/456670636.db2.gz PCOWOHISPIJESQ-HKUYNNGSSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324625548 456670645 /nfs/dbraw/zinc/67/06/45/456670645.db2.gz PCOWOHISPIJESQ-HKUYNNGSSA-N 2 2 329.488 3.213 10 0 EGAELP COC1(C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCC1 ZINC000277210033 456725352 /nfs/dbraw/zinc/72/53/52/456725352.db2.gz WOUDECRNAMBKOH-MRXNPFEDSA-N 2 2 346.519 3.372 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733868 /nfs/dbraw/zinc/73/38/68/456733868.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 3 2 342.462 3.282 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733872 /nfs/dbraw/zinc/73/38/72/456733872.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 3 2 342.462 3.282 10 0 EGAELP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C(C)(C)C)cn1 ZINC000341317225 456843611 /nfs/dbraw/zinc/84/36/11/456843611.db2.gz VDHNLRLJHHWGOL-IBGZPJMESA-N 2 2 341.503 3.157 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866367 456868227 /nfs/dbraw/zinc/86/82/27/456868227.db2.gz OFSSDRXVPYRRHJ-FVQBIDKESA-N 2 2 330.394 3.379 10 0 EGAELP CO[C@H](CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866367 456868231 /nfs/dbraw/zinc/86/82/31/456868231.db2.gz OFSSDRXVPYRRHJ-FVQBIDKESA-N 2 2 330.394 3.379 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071844 456927069 /nfs/dbraw/zinc/92/70/69/456927069.db2.gz SOXJTRAWKUFPFI-HMXCVIKNSA-N 2 2 346.515 3.101 10 0 EGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071844 456927072 /nfs/dbraw/zinc/92/70/72/456927072.db2.gz SOXJTRAWKUFPFI-HMXCVIKNSA-N 2 2 346.515 3.101 10 0 EGAELP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000339179415 456979803 /nfs/dbraw/zinc/97/98/03/456979803.db2.gz QNSZAHAEIWPTHZ-UHFFFAOYSA-N 2 2 328.431 3.372 10 0 EGAELP COc1ccc(F)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000339179415 456979805 /nfs/dbraw/zinc/97/98/05/456979805.db2.gz QNSZAHAEIWPTHZ-UHFFFAOYSA-N 2 2 328.431 3.372 10 0 EGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000330262918 457016146 /nfs/dbraw/zinc/01/61/46/457016146.db2.gz VVLBFQFWSVMLDQ-UHFFFAOYSA-N 2 2 342.443 3.474 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342276643 457206195 /nfs/dbraw/zinc/20/61/95/457206195.db2.gz YMTIOTQEIKSSAA-RBUKOAKNSA-N 2 2 325.456 3.483 10 0 EGAELP CC[C@@H]1C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965341 457247045 /nfs/dbraw/zinc/24/70/45/457247045.db2.gz KMSWIQDBEGELNP-WIYYLYMNSA-N 2 2 345.531 3.226 10 0 EGAELP CC[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000356965341 457247052 /nfs/dbraw/zinc/24/70/52/457247052.db2.gz KMSWIQDBEGELNP-WIYYLYMNSA-N 2 2 345.531 3.226 10 0 EGAELP CC(C)C[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCCc2cccnc21 ZINC000425338377 457504008 /nfs/dbraw/zinc/50/40/08/457504008.db2.gz PCHNWANWPRTPRO-SFHVURJKSA-N 2 2 341.503 3.417 10 0 EGAELP CC(C)C[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCCc2cccnc21 ZINC000425338377 457504015 /nfs/dbraw/zinc/50/40/15/457504015.db2.gz PCHNWANWPRTPRO-SFHVURJKSA-N 2 2 341.503 3.417 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197793 457519051 /nfs/dbraw/zinc/51/90/51/457519051.db2.gz FNXJJWWPYPUTFC-AWEZNQCLSA-N 2 2 349.438 3.165 10 0 EGAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374197793 457519057 /nfs/dbraw/zinc/51/90/57/457519057.db2.gz FNXJJWWPYPUTFC-AWEZNQCLSA-N 2 2 349.438 3.165 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000401148744 457523539 /nfs/dbraw/zinc/52/35/39/457523539.db2.gz OZGDXRJMZOAJLO-XRXFAXGQSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000401148744 457523544 /nfs/dbraw/zinc/52/35/44/457523544.db2.gz OZGDXRJMZOAJLO-XRXFAXGQSA-N 3 2 327.516 3.019 10 0 EGAELP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000361104553 457583037 /nfs/dbraw/zinc/58/30/37/457583037.db2.gz FNASWHOXQVDBAE-CQSZACIVSA-N 2 2 331.485 3.135 10 0 EGAELP Cc1ccc(C2CC[NH+](CC(=O)NCc3ccccc3F)CC2)c[nH+]1 ZINC000374644188 457679535 /nfs/dbraw/zinc/67/95/35/457679535.db2.gz GFLTVYUZZFLZKC-UHFFFAOYSA-N 2 2 341.430 3.025 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000361327910 457694856 /nfs/dbraw/zinc/69/48/56/457694856.db2.gz DRRBAOISBXLDMA-FQEVSTJZSA-N 2 2 342.487 3.245 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000361327910 457694859 /nfs/dbraw/zinc/69/48/59/457694859.db2.gz DRRBAOISBXLDMA-FQEVSTJZSA-N 2 2 342.487 3.245 10 0 EGAELP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)Cc1cn(C)nn1 ZINC000361352136 457703147 /nfs/dbraw/zinc/70/31/47/457703147.db2.gz CIVJUBFWDCGIBA-UHFFFAOYSA-N 2 2 340.475 3.166 10 0 EGAELP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)Cc1cn(C)nn1 ZINC000361352136 457703150 /nfs/dbraw/zinc/70/31/50/457703150.db2.gz CIVJUBFWDCGIBA-UHFFFAOYSA-N 2 2 340.475 3.166 10 0 EGAELP COCCO[C@H]1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361376745 457711183 /nfs/dbraw/zinc/71/11/83/457711183.db2.gz MOKAELUJCKAEEW-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP COCCO[C@H]1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000361376745 457711184 /nfs/dbraw/zinc/71/11/84/457711184.db2.gz MOKAELUJCKAEEW-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000370873942 457731507 /nfs/dbraw/zinc/73/15/07/457731507.db2.gz VTZOLKFQNSHABM-UHFFFAOYSA-N 2 2 327.428 3.355 10 0 EGAELP COCC[C@H]1COCC[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361522670 457768995 /nfs/dbraw/zinc/76/89/95/457768995.db2.gz QUUPFURUXDVFIG-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP COCC[C@H]1COCC[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361522670 457768996 /nfs/dbraw/zinc/76/89/96/457768996.db2.gz QUUPFURUXDVFIG-SFHVURJKSA-N 2 2 345.487 3.252 10 0 EGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000443616277 457789384 /nfs/dbraw/zinc/78/93/84/457789384.db2.gz QYLAJBALAAYIKK-OXQOHEQNSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000443616277 457789388 /nfs/dbraw/zinc/78/93/88/457789388.db2.gz QYLAJBALAAYIKK-OXQOHEQNSA-N 2 2 347.934 3.429 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481130 457823821 /nfs/dbraw/zinc/82/38/21/457823821.db2.gz KQKRSWOCXCPTGE-UNMCSNQZSA-N 2 2 349.478 3.394 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481130 457823827 /nfs/dbraw/zinc/82/38/27/457823827.db2.gz KQKRSWOCXCPTGE-UNMCSNQZSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481130 457823830 /nfs/dbraw/zinc/82/38/30/457823830.db2.gz KQKRSWOCXCPTGE-UNMCSNQZSA-N 2 2 349.478 3.394 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000366481130 457823834 /nfs/dbraw/zinc/82/38/34/457823834.db2.gz KQKRSWOCXCPTGE-UNMCSNQZSA-N 2 2 349.478 3.394 10 0 EGAELP Clc1cccc(-c2noc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)n2)c1 ZINC000434992747 458076826 /nfs/dbraw/zinc/07/68/26/458076826.db2.gz WQUVPJUVOBVJPQ-UHFFFAOYSA-N 2 2 343.818 3.493 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932962 458129361 /nfs/dbraw/zinc/12/93/61/458129361.db2.gz PIHLPHZVSPCZPO-SJORKVTESA-N 2 2 335.879 3.249 10 0 EGAELP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000375932962 458129366 /nfs/dbraw/zinc/12/93/66/458129366.db2.gz PIHLPHZVSPCZPO-SJORKVTESA-N 2 2 335.879 3.249 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000428584017 458174085 /nfs/dbraw/zinc/17/40/85/458174085.db2.gz OEIBLNNVFKTIIE-SFHVURJKSA-N 2 2 326.444 3.302 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000428584017 458174093 /nfs/dbraw/zinc/17/40/93/458174093.db2.gz OEIBLNNVFKTIIE-SFHVURJKSA-N 2 2 326.444 3.302 10 0 EGAELP CCOc1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)nn1CC(C)C ZINC000376492084 458316929 /nfs/dbraw/zinc/31/69/29/458316929.db2.gz OOFKQRKOMJQQQL-UHFFFAOYSA-N 2 2 345.491 3.349 10 0 EGAELP c1nc(C2CC2)ncc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459335291 458333549 /nfs/dbraw/zinc/33/35/49/458333549.db2.gz HZLSPVOCVJOROT-QGZVFWFLSA-N 2 2 328.504 3.442 10 0 EGAELP c1nc(C2CC2)ncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459335291 458333557 /nfs/dbraw/zinc/33/35/57/458333557.db2.gz HZLSPVOCVJOROT-QGZVFWFLSA-N 2 2 328.504 3.442 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000376591395 458347215 /nfs/dbraw/zinc/34/72/15/458347215.db2.gz CRMCETXCOIIDTR-SJLPKXTDSA-N 2 2 342.418 3.404 10 0 EGAELP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000376591395 458347218 /nfs/dbraw/zinc/34/72/18/458347218.db2.gz CRMCETXCOIIDTR-SJLPKXTDSA-N 2 2 342.418 3.404 10 0 EGAELP c1c(C[NH2+]CC[NH+]2CCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459474863 458385743 /nfs/dbraw/zinc/38/57/43/458385743.db2.gz WBVYXSCHXDSUKC-UHFFFAOYSA-N 2 2 339.487 3.246 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000468400555 458515073 /nfs/dbraw/zinc/51/50/73/458515073.db2.gz YAWPYQPRSVOVPI-IBGZPJMESA-N 2 2 335.923 3.250 10 0 EGAELP Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000468400555 458515077 /nfs/dbraw/zinc/51/50/77/458515077.db2.gz YAWPYQPRSVOVPI-IBGZPJMESA-N 2 2 335.923 3.250 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377769597 458520186 /nfs/dbraw/zinc/52/01/86/458520186.db2.gz ARUDKSQEASBLIV-LBPRGKRZSA-N 2 2 335.835 3.118 10 0 EGAELP CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377769597 458520187 /nfs/dbraw/zinc/52/01/87/458520187.db2.gz ARUDKSQEASBLIV-LBPRGKRZSA-N 2 2 335.835 3.118 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311201 458611556 /nfs/dbraw/zinc/61/15/56/458611556.db2.gz KSAAWIYYRADXQB-XIYVOTBMSA-N 2 2 328.500 3.444 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000424311201 458611562 /nfs/dbraw/zinc/61/15/62/458611562.db2.gz KSAAWIYYRADXQB-XIYVOTBMSA-N 2 2 328.500 3.444 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000546575855 458640219 /nfs/dbraw/zinc/64/02/19/458640219.db2.gz YXWOREIHWRRPFF-SFHVURJKSA-N 2 2 329.488 3.262 10 0 EGAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1 ZINC000546575855 458640221 /nfs/dbraw/zinc/64/02/21/458640221.db2.gz YXWOREIHWRRPFF-SFHVURJKSA-N 2 2 329.488 3.262 10 0 EGAELP CC1=CC[N@H+](CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000547271722 458711402 /nfs/dbraw/zinc/71/14/02/458711402.db2.gz WGQSMAANJONNGK-UHFFFAOYSA-N 2 2 328.378 3.369 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000547271722 458711405 /nfs/dbraw/zinc/71/14/05/458711405.db2.gz WGQSMAANJONNGK-UHFFFAOYSA-N 2 2 328.378 3.369 10 0 EGAELP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215500 458719255 /nfs/dbraw/zinc/71/92/55/458719255.db2.gz GQZPCCFNESNERN-WOZUAGRISA-N 3 2 339.527 3.161 10 0 EGAELP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215500 458719258 /nfs/dbraw/zinc/71/92/58/458719258.db2.gz GQZPCCFNESNERN-WOZUAGRISA-N 3 2 339.527 3.161 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183565 458847076 /nfs/dbraw/zinc/84/70/76/458847076.db2.gz HXUOYPCEIZYGMC-QFUCXCTJSA-N 2 2 339.527 3.256 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183565 458847078 /nfs/dbraw/zinc/84/70/78/458847078.db2.gz HXUOYPCEIZYGMC-QFUCXCTJSA-N 2 2 339.527 3.256 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183568 458847744 /nfs/dbraw/zinc/84/77/44/458847744.db2.gz HXUOYPCEIZYGMC-SLYNCCJLSA-N 2 2 339.527 3.256 10 0 EGAELP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518183568 458847746 /nfs/dbraw/zinc/84/77/46/458847746.db2.gz HXUOYPCEIZYGMC-SLYNCCJLSA-N 2 2 339.527 3.256 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000474201780 458868944 /nfs/dbraw/zinc/86/89/44/458868944.db2.gz PRWDXMLENWETEI-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)CC2 ZINC000474201780 458868951 /nfs/dbraw/zinc/86/89/51/458868951.db2.gz PRWDXMLENWETEI-HNNXBMFYSA-N 2 2 346.519 3.019 10 0 EGAELP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032439 /nfs/dbraw/zinc/03/24/39/459032439.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032442 /nfs/dbraw/zinc/03/24/42/459032442.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032445 /nfs/dbraw/zinc/03/24/45/459032445.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP CCC[NH+]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032447 /nfs/dbraw/zinc/03/24/47/459032447.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 3 2 329.532 3.361 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000594495514 459061007 /nfs/dbraw/zinc/06/10/07/459061007.db2.gz AXQGVKAOPPHZHJ-URKNILKWSA-N 2 2 328.456 3.065 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000594495514 459061014 /nfs/dbraw/zinc/06/10/14/459061014.db2.gz AXQGVKAOPPHZHJ-URKNILKWSA-N 2 2 328.456 3.065 10 0 EGAELP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126626 459090198 /nfs/dbraw/zinc/09/01/98/459090198.db2.gz RDJUWNANYNYZHI-GHTZIAJQSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000590126626 459090202 /nfs/dbraw/zinc/09/02/02/459090202.db2.gz RDJUWNANYNYZHI-GHTZIAJQSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126626 459090207 /nfs/dbraw/zinc/09/02/07/459090207.db2.gz RDJUWNANYNYZHI-GHTZIAJQSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000590126626 459090215 /nfs/dbraw/zinc/09/02/15/459090215.db2.gz RDJUWNANYNYZHI-GHTZIAJQSA-N 2 2 326.484 3.215 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448107 459090983 /nfs/dbraw/zinc/09/09/83/459090983.db2.gz MQQOAPMAQIYDAF-DYESRHJHSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000532448107 459090988 /nfs/dbraw/zinc/09/09/88/459090988.db2.gz MQQOAPMAQIYDAF-DYESRHJHSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448107 459090992 /nfs/dbraw/zinc/09/09/92/459090992.db2.gz MQQOAPMAQIYDAF-DYESRHJHSA-N 3 2 329.532 3.491 10 0 EGAELP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000532448107 459090997 /nfs/dbraw/zinc/09/09/97/459090997.db2.gz MQQOAPMAQIYDAF-DYESRHJHSA-N 3 2 329.532 3.491 10 0 EGAELP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1F ZINC000594614250 459115603 /nfs/dbraw/zinc/11/56/03/459115603.db2.gz LJPBTRSBQUEEOL-GOSISDBHSA-N 2 2 336.451 3.284 10 0 EGAELP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000532749771 459140052 /nfs/dbraw/zinc/14/00/52/459140052.db2.gz UGVYDRSSBNGJLI-UHFFFAOYSA-N 2 2 330.407 3.065 10 0 EGAELP Cc1cccc2c1cc[nH+]c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000582417278 459360206 /nfs/dbraw/zinc/36/02/06/459360206.db2.gz PZCJSFQXJNRVND-MRXNPFEDSA-N 2 2 325.456 3.456 10 0 EGAELP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582904331 459449567 /nfs/dbraw/zinc/44/95/67/459449567.db2.gz MVGVHOWXXICTJI-LJQANCHMSA-N 3 2 329.532 3.361 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866859 459458457 /nfs/dbraw/zinc/45/84/57/459458457.db2.gz HYSCQOYHIXYQSP-ROUUACIJSA-N 2 2 340.471 3.472 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591866859 459458461 /nfs/dbraw/zinc/45/84/61/459458461.db2.gz HYSCQOYHIXYQSP-ROUUACIJSA-N 2 2 340.471 3.472 10 0 EGAELP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccncc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000485976378 459482270 /nfs/dbraw/zinc/48/22/70/459482270.db2.gz JGUNIWTZVTYJMY-OALUTQOASA-N 2 2 340.377 3.187 10 0 EGAELP C[N@H+]1CC[C@H](Nc2cc[nH+]c3ccncc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000485976378 459482277 /nfs/dbraw/zinc/48/22/77/459482277.db2.gz JGUNIWTZVTYJMY-OALUTQOASA-N 2 2 340.377 3.187 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015030 459796948 /nfs/dbraw/zinc/79/69/48/459796948.db2.gz WQQJOSAYPHXKEM-PBHICJAKSA-N 2 2 348.487 3.380 10 0 EGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015030 459796952 /nfs/dbraw/zinc/79/69/52/459796952.db2.gz WQQJOSAYPHXKEM-PBHICJAKSA-N 2 2 348.487 3.380 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242881 459827678 /nfs/dbraw/zinc/82/76/78/459827678.db2.gz NIFFUJABGMYMBB-LJQANCHMSA-N 2 2 344.480 3.263 10 0 EGAELP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242881 459827681 /nfs/dbraw/zinc/82/76/81/459827681.db2.gz NIFFUJABGMYMBB-LJQANCHMSA-N 2 2 344.480 3.263 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000545922871 459873494 /nfs/dbraw/zinc/87/34/94/459873494.db2.gz VVSBSWORWWRGBW-LWYYNNOASA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000545922871 459873497 /nfs/dbraw/zinc/87/34/97/459873497.db2.gz VVSBSWORWWRGBW-LWYYNNOASA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000545922871 459873499 /nfs/dbraw/zinc/87/34/99/459873499.db2.gz VVSBSWORWWRGBW-LWYYNNOASA-N 2 2 338.536 3.014 10 0 EGAELP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000545922871 459873502 /nfs/dbraw/zinc/87/35/02/459873502.db2.gz VVSBSWORWWRGBW-LWYYNNOASA-N 2 2 338.536 3.014 10 0 EGAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613903 459994752 /nfs/dbraw/zinc/99/47/52/459994752.db2.gz PYQIRRRWGAKXIW-NVXWUHKLSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613903 459994759 /nfs/dbraw/zinc/99/47/59/459994759.db2.gz PYQIRRRWGAKXIW-NVXWUHKLSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613903 459994764 /nfs/dbraw/zinc/99/47/64/459994764.db2.gz PYQIRRRWGAKXIW-NVXWUHKLSA-N 2 2 348.487 3.461 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613903 459994770 /nfs/dbraw/zinc/99/47/70/459994770.db2.gz PYQIRRRWGAKXIW-NVXWUHKLSA-N 2 2 348.487 3.461 10 0 EGAELP CCOc1cncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000621725870 460031239 /nfs/dbraw/zinc/03/12/39/460031239.db2.gz BVPGOBWHSIQLFE-KRWDZBQOSA-N 2 2 340.471 3.393 10 0 EGAELP CCOc1cncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000621725870 460031246 /nfs/dbraw/zinc/03/12/46/460031246.db2.gz BVPGOBWHSIQLFE-KRWDZBQOSA-N 2 2 340.471 3.393 10 0 EGAELP CN(C)c1[nH+]ccc2cc(NC(=O)Cn3c[nH+]c4c3CCCC4)ccc21 ZINC000575957399 460038425 /nfs/dbraw/zinc/03/84/25/460038425.db2.gz MPCIXSDCEOIAQC-UHFFFAOYSA-N 2 2 349.438 3.015 10 0 EGAELP CCO[C@@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000625197173 460067449 /nfs/dbraw/zinc/06/74/49/460067449.db2.gz GADJHWAYYLDAIP-IBGZPJMESA-N 2 2 331.504 3.435 10 0 EGAELP CCO[C@@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000625197173 460067451 /nfs/dbraw/zinc/06/74/51/460067451.db2.gz GADJHWAYYLDAIP-IBGZPJMESA-N 2 2 331.504 3.435 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228213 460079804 /nfs/dbraw/zinc/07/98/04/460079804.db2.gz XTKQPUJARNYVRV-KBXCAEBGSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228213 460079811 /nfs/dbraw/zinc/07/98/11/460079811.db2.gz XTKQPUJARNYVRV-KBXCAEBGSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228213 460079818 /nfs/dbraw/zinc/07/98/18/460079818.db2.gz XTKQPUJARNYVRV-KBXCAEBGSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)CC[C@H]21 ZINC000625228213 460079827 /nfs/dbraw/zinc/07/98/27/460079827.db2.gz XTKQPUJARNYVRV-KBXCAEBGSA-N 2 2 329.419 3.397 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000598974069 460111079 /nfs/dbraw/zinc/11/10/79/460111079.db2.gz LRADZWKMAVQDNA-LLVKDONJSA-N 2 2 333.457 3.074 10 0 EGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000598974069 460111084 /nfs/dbraw/zinc/11/10/84/460111084.db2.gz LRADZWKMAVQDNA-LLVKDONJSA-N 2 2 333.457 3.074 10 0 EGAELP CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000621940876 460125812 /nfs/dbraw/zinc/12/58/12/460125812.db2.gz BWHJAYKFBIMFIV-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000621940876 460125817 /nfs/dbraw/zinc/12/58/17/460125817.db2.gz BWHJAYKFBIMFIV-UHFFFAOYSA-N 2 2 346.519 3.048 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000603557240 460321754 /nfs/dbraw/zinc/32/17/54/460321754.db2.gz WJPAVEOBLXJRAZ-HXUWFJFHSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000603557240 460321759 /nfs/dbraw/zinc/32/17/59/460321759.db2.gz WJPAVEOBLXJRAZ-HXUWFJFHSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](CCc1ccc(Cl)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000603557240 460321764 /nfs/dbraw/zinc/32/17/64/460321764.db2.gz WJPAVEOBLXJRAZ-HXUWFJFHSA-N 2 2 346.902 3.307 10 0 EGAELP C[NH+](CCc1ccc(Cl)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000603557240 460321767 /nfs/dbraw/zinc/32/17/67/460321767.db2.gz WJPAVEOBLXJRAZ-HXUWFJFHSA-N 2 2 346.902 3.307 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC4(CC4)CC3)c2cc1C ZINC000626113790 460376606 /nfs/dbraw/zinc/37/66/06/460376606.db2.gz GPGDSYPPVOFZFS-KRWDZBQOSA-N 2 2 327.472 3.280 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC4(CC4)CC3)c2cc1C ZINC000626113790 460376609 /nfs/dbraw/zinc/37/66/09/460376609.db2.gz GPGDSYPPVOFZFS-KRWDZBQOSA-N 2 2 327.472 3.280 10 0 EGAELP Cc1[nH+]ccn1CC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132570 460389015 /nfs/dbraw/zinc/38/90/15/460389015.db2.gz OVPRZRWKDJJWHP-UHFFFAOYSA-N 2 2 338.224 3.151 10 0 EGAELP Cc1[nH+]ccn1CC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132570 460389017 /nfs/dbraw/zinc/38/90/17/460389017.db2.gz OVPRZRWKDJJWHP-UHFFFAOYSA-N 2 2 338.224 3.151 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623381498 460518093 /nfs/dbraw/zinc/51/80/93/460518093.db2.gz WRTQJJQKKFMMDV-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623381498 460518100 /nfs/dbraw/zinc/51/81/00/460518100.db2.gz WRTQJJQKKFMMDV-CYBMUJFWSA-N 2 2 341.293 3.420 10 0 EGAELP CC1CC[NH+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623859289 460747930 /nfs/dbraw/zinc/74/79/30/460747930.db2.gz IQLCQPSDOKDARD-UHFFFAOYSA-N 2 2 337.471 3.141 10 0 EGAELP Cc1cccc([C@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(F)c2)c1 ZINC000629519891 460792822 /nfs/dbraw/zinc/79/28/22/460792822.db2.gz IMTRMVWSDMKLJG-IBGZPJMESA-N 2 2 328.431 3.321 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C[NH2+]1 ZINC000629541824 460801400 /nfs/dbraw/zinc/80/14/00/460801400.db2.gz WUWMJJDFVATLAY-UXIGCNINSA-N 2 2 339.277 3.393 10 0 EGAELP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccc(OC)cc2)cc1 ZINC000629545314 460802271 /nfs/dbraw/zinc/80/22/71/460802271.db2.gz CFYDFIWVBHZDTL-RVHYNSKXSA-N 2 2 340.467 3.328 10 0 EGAELP C[C@H]1CCN(c2nc3ccccc3n3c[nH+]cc23)C[C@@H]1n1cc[nH+]c1 ZINC000624035305 460831364 /nfs/dbraw/zinc/83/13/64/460831364.db2.gz UEMJKVFUYHKUKR-KSSFIOAISA-N 2 2 332.411 3.167 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@@H]1C(F)(F)F ZINC000629656405 460850438 /nfs/dbraw/zinc/85/04/38/460850438.db2.gz OGTVGKVRALZTBQ-ZFWWWQNUSA-N 2 2 338.377 3.036 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC[C@@H]1C(F)(F)F ZINC000629656405 460850441 /nfs/dbraw/zinc/85/04/41/460850441.db2.gz OGTVGKVRALZTBQ-ZFWWWQNUSA-N 2 2 338.377 3.036 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000629673104 460861146 /nfs/dbraw/zinc/86/11/46/460861146.db2.gz WMRKGQPERLIMCP-LAUBAEHRSA-N 2 2 346.478 3.438 10 0 EGAELP Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2[nH+]ccn2c1 ZINC000624166112 460892905 /nfs/dbraw/zinc/89/29/05/460892905.db2.gz SOBRAPIIKBWUQF-HOTGVXAUSA-N 2 2 342.487 3.131 10 0 EGAELP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)C1CC1 ZINC000621351399 461002405 /nfs/dbraw/zinc/00/24/05/461002405.db2.gz QIWYLRFNUDYTIK-INIZCTEOSA-N 2 2 342.405 3.129 10 0 EGAELP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)C1CC1 ZINC000621351399 461002410 /nfs/dbraw/zinc/00/24/10/461002410.db2.gz QIWYLRFNUDYTIK-INIZCTEOSA-N 2 2 342.405 3.129 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628184881 461037477 /nfs/dbraw/zinc/03/74/77/461037477.db2.gz BCXRQLCJGBGJTP-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000628184881 461037480 /nfs/dbraw/zinc/03/74/80/461037480.db2.gz BCXRQLCJGBGJTP-KRWDZBQOSA-N 2 2 332.488 3.400 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292722 461077068 /nfs/dbraw/zinc/07/70/68/461077068.db2.gz QUUFBFNHVZTKNY-INIZCTEOSA-N 2 2 346.368 3.294 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292722 461077070 /nfs/dbraw/zinc/07/70/70/461077070.db2.gz QUUFBFNHVZTKNY-INIZCTEOSA-N 2 2 346.368 3.294 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292722 461077076 /nfs/dbraw/zinc/07/70/76/461077076.db2.gz QUUFBFNHVZTKNY-INIZCTEOSA-N 2 2 346.368 3.294 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628292722 461077082 /nfs/dbraw/zinc/07/70/82/461077082.db2.gz QUUFBFNHVZTKNY-INIZCTEOSA-N 2 2 346.368 3.294 10 0 EGAELP CC1(C)C[NH+](CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000655165742 461112582 /nfs/dbraw/zinc/11/25/82/461112582.db2.gz VCDGDHIHCPEIEV-UHFFFAOYSA-N 2 2 347.528 3.155 10 0 EGAELP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662251310 461144475 /nfs/dbraw/zinc/14/44/75/461144475.db2.gz CDQHFEXTWUCXGT-WBMJQRKESA-N 2 2 328.378 3.219 10 0 EGAELP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662251310 461144478 /nfs/dbraw/zinc/14/44/78/461144478.db2.gz CDQHFEXTWUCXGT-WBMJQRKESA-N 2 2 328.378 3.219 10 0 EGAELP C[NH2+]CCC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662264750 461153943 /nfs/dbraw/zinc/15/39/43/461153943.db2.gz KPPARPHINRUVES-UHFFFAOYSA-N 2 2 346.700 3.319 10 0 EGAELP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000662280884 461163287 /nfs/dbraw/zinc/16/32/87/461163287.db2.gz GSJKVHBRFDPSTB-UXHICEINSA-N 2 2 340.467 3.002 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649568329 461181790 /nfs/dbraw/zinc/18/17/90/461181790.db2.gz XNOWCKHTRHSDRJ-SFHVURJKSA-N 2 2 335.455 3.152 10 0 EGAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649568329 461181800 /nfs/dbraw/zinc/18/18/00/461181800.db2.gz XNOWCKHTRHSDRJ-SFHVURJKSA-N 2 2 335.455 3.152 10 0 EGAELP Cc1ccc(OC(F)F)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662323631 461192714 /nfs/dbraw/zinc/19/27/14/461192714.db2.gz OMRLLIAHLBCSMQ-INIZCTEOSA-N 2 2 342.430 3.139 10 0 EGAELP Cc1ccc(OC(F)F)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662323631 461192719 /nfs/dbraw/zinc/19/27/19/461192719.db2.gz OMRLLIAHLBCSMQ-INIZCTEOSA-N 2 2 342.430 3.139 10 0 EGAELP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccncc2)cc1 ZINC000655700555 461372482 /nfs/dbraw/zinc/37/24/82/461372482.db2.gz MQNRSGYVDXKPCU-SFTDATJTSA-N 2 2 337.467 3.014 10 0 EGAELP Cc1csc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)n1 ZINC000655745054 461412714 /nfs/dbraw/zinc/41/27/14/461412714.db2.gz ZWSNYJNDYQKFGP-MRXNPFEDSA-N 2 2 335.517 3.064 10 0 EGAELP CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785558 461434473 /nfs/dbraw/zinc/43/44/73/461434473.db2.gz SACCGBCGWDMCQI-INIZCTEOSA-N 2 2 340.895 3.281 10 0 EGAELP CCOc1c(Cl)cccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785558 461434476 /nfs/dbraw/zinc/43/44/76/461434476.db2.gz SACCGBCGWDMCQI-INIZCTEOSA-N 2 2 340.895 3.281 10 0 EGAELP Cc1cccn2c(C[NH2+][C@H](c3ccncc3)C3(CO)CCC3)c[nH+]c12 ZINC000668817726 461451882 /nfs/dbraw/zinc/45/18/82/461451882.db2.gz OFNSWQPRBKYITL-GOSISDBHSA-N 2 2 336.439 3.031 10 0 EGAELP C[NH+](C)[C@@H]1CCCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642256282 461481200 /nfs/dbraw/zinc/48/12/00/461481200.db2.gz AZXYCUIHWHNHTM-CYBMUJFWSA-N 2 2 327.407 3.171 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839607 461489138 /nfs/dbraw/zinc/48/91/38/461489138.db2.gz VGNKGXQCTSDXEF-WNHJNPCNSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655839607 461489143 /nfs/dbraw/zinc/48/91/43/461489143.db2.gz VGNKGXQCTSDXEF-WNHJNPCNSA-N 2 2 331.504 3.228 10 0 EGAELP Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3cccnc3)CC2)[nH+]1 ZINC000663368396 461595374 /nfs/dbraw/zinc/59/53/74/461595374.db2.gz YLWZTHCSVAAMIR-UHFFFAOYSA-N 2 2 336.361 3.126 10 0 EGAELP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sn1 ZINC000660204372 461637656 /nfs/dbraw/zinc/63/76/56/461637656.db2.gz JTLZXRXCCNSMRD-LBPRGKRZSA-N 2 2 328.441 3.497 10 0 EGAELP COc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OCc1ccccc1 ZINC000663497956 461673041 /nfs/dbraw/zinc/67/30/41/461673041.db2.gz LWFZJVDLZFOAGE-UHFFFAOYSA-N 2 2 338.451 3.116 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479572 461724065 /nfs/dbraw/zinc/72/40/65/461724065.db2.gz LPQHPYVOULKTAB-ZFWWWQNUSA-N 2 2 332.879 3.191 10 0 EGAELP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479572 461724075 /nfs/dbraw/zinc/72/40/75/461724075.db2.gz LPQHPYVOULKTAB-ZFWWWQNUSA-N 2 2 332.879 3.191 10 0 EGAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501929 461746506 /nfs/dbraw/zinc/74/65/06/461746506.db2.gz SYWAMLQPTJFKBN-UKRRQHHQSA-N 2 2 339.277 3.395 10 0 EGAELP Clc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553835 461764649 /nfs/dbraw/zinc/76/46/49/461764649.db2.gz KOFURSDICPHUGI-QGZVFWFLSA-N 2 2 330.863 3.290 10 0 EGAELP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614516 461773507 /nfs/dbraw/zinc/77/35/07/461773507.db2.gz AZGUZRRFNULHRL-RTWAWAEBSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614516 461773510 /nfs/dbraw/zinc/77/35/10/461773510.db2.gz AZGUZRRFNULHRL-RTWAWAEBSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614516 461773514 /nfs/dbraw/zinc/77/35/14/461773514.db2.gz AZGUZRRFNULHRL-RTWAWAEBSA-N 2 2 340.511 3.082 10 0 EGAELP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC12CC=CC2 ZINC000647614516 461773518 /nfs/dbraw/zinc/77/35/18/461773518.db2.gz AZGUZRRFNULHRL-RTWAWAEBSA-N 2 2 340.511 3.082 10 0 EGAELP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(C)n1 ZINC000660479578 461802911 /nfs/dbraw/zinc/80/29/11/461802911.db2.gz GYBWDFGJNAZOHK-INIZCTEOSA-N 2 2 325.460 3.006 10 0 EGAELP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(C)n1 ZINC000660479578 461802916 /nfs/dbraw/zinc/80/29/16/461802916.db2.gz GYBWDFGJNAZOHK-INIZCTEOSA-N 2 2 325.460 3.006 10 0 EGAELP CC(C)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(CO)CC=CC1 ZINC000648069885 461967011 /nfs/dbraw/zinc/96/70/11/461967011.db2.gz QQRGGMDEBLQKIV-QGZVFWFLSA-N 2 2 331.485 3.377 10 0 EGAELP CCCCOc1ncccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657329890 462050438 /nfs/dbraw/zinc/05/04/38/462050438.db2.gz GILQJLIBJOYTIG-UHFFFAOYSA-N 2 2 337.427 3.131 10 0 EGAELP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336196 462053657 /nfs/dbraw/zinc/05/36/57/462053657.db2.gz NTWBKWPASJPKHS-UHFFFAOYSA-N 2 2 344.425 3.183 10 0 EGAELP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527863 462167091 /nfs/dbraw/zinc/16/70/91/462167091.db2.gz YXVTVQHUBLWUKQ-CYBMUJFWSA-N 2 2 326.282 3.115 10 0 EGAELP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527863 462167097 /nfs/dbraw/zinc/16/70/97/462167097.db2.gz YXVTVQHUBLWUKQ-CYBMUJFWSA-N 2 2 326.282 3.115 10 0 EGAELP Cc1cccc2[nH]c(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc21 ZINC000667602471 462168490 /nfs/dbraw/zinc/16/84/90/462168490.db2.gz AJYDYFWOQCYQEG-IBGZPJMESA-N 2 2 340.515 3.078 10 0 EGAELP Cc1cccc2[nH]c(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc21 ZINC000667602471 462168495 /nfs/dbraw/zinc/16/84/95/462168495.db2.gz AJYDYFWOQCYQEG-IBGZPJMESA-N 2 2 340.515 3.078 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1OC(F)F ZINC000657524752 462168530 /nfs/dbraw/zinc/16/85/30/462168530.db2.gz QUPYQGWLKFDSOE-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1OC(F)F ZINC000657524752 462168534 /nfs/dbraw/zinc/16/85/34/462168534.db2.gz QUPYQGWLKFDSOE-ZDUSSCGKSA-N 2 2 328.403 3.259 10 0 EGAELP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000657692103 462232465 /nfs/dbraw/zinc/23/24/65/462232465.db2.gz YVBQXTYMIAAENO-MAUKXSAKSA-N 2 2 341.484 3.168 10 0 EGAELP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)[C@H]21 ZINC000657788067 462265651 /nfs/dbraw/zinc/26/56/51/462265651.db2.gz HFBJJFRTESZUMN-HBMCJLEFSA-N 2 2 337.442 3.113 10 0 EGAELP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000657814237 462280793 /nfs/dbraw/zinc/28/07/93/462280793.db2.gz BBXFPMDAYDWYNC-XMSQKQJNSA-N 2 2 338.495 3.405 10 0 EGAELP C[C@H]([NH2+]C1(C[NH2+][C@H]2COC3(CCC3)C2)CCOCC1)c1ccccc1 ZINC000657889839 462308123 /nfs/dbraw/zinc/30/81/23/462308123.db2.gz QXZHCMKQBREEQH-PKOBYXMFSA-N 2 2 344.499 3.188 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061567 462363883 /nfs/dbraw/zinc/36/38/83/462363883.db2.gz OZMLBLANVDUNED-SMDDNHRTSA-N 2 2 326.282 3.368 10 0 EGAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cncc(Br)c1 ZINC000658061567 462363888 /nfs/dbraw/zinc/36/38/88/462363888.db2.gz OZMLBLANVDUNED-SMDDNHRTSA-N 2 2 326.282 3.368 10 0 EGAELP Cc1cccn2c(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c[nH+]c12 ZINC000667948991 462340864 /nfs/dbraw/zinc/34/08/64/462340864.db2.gz UPNPHIGEUFDGIG-AWEZNQCLSA-N 2 2 343.456 3.129 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000658053435 462359847 /nfs/dbraw/zinc/35/98/47/462359847.db2.gz AQWBRAURHUGXMS-RDJZCZTQSA-N 2 2 331.504 3.483 10 0 EGAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000658053435 462359851 /nfs/dbraw/zinc/35/98/51/462359851.db2.gz AQWBRAURHUGXMS-RDJZCZTQSA-N 2 2 331.504 3.483 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277266 462381809 /nfs/dbraw/zinc/38/18/09/462381809.db2.gz XWUWDBWZBWHBRH-HLAWJBBLSA-N 3 2 341.543 3.409 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277266 462381814 /nfs/dbraw/zinc/38/18/14/462381814.db2.gz XWUWDBWZBWHBRH-HLAWJBBLSA-N 3 2 341.543 3.409 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661828774 462429204 /nfs/dbraw/zinc/42/92/04/462429204.db2.gz WDABKZLHYTVZGE-MOPGFXCFSA-N 2 2 327.472 3.408 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661828776 462429372 /nfs/dbraw/zinc/42/93/72/462429372.db2.gz WDABKZLHYTVZGE-RBUKOAKNSA-N 2 2 327.472 3.408 10 0 EGAELP C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910420 533821440 /nfs/dbraw/zinc/82/14/40/533821440.db2.gz CIUDVRZSEVWVFA-HNNXBMFYSA-N 2 2 328.460 3.075 10 0 EGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C)CC1 ZINC000180655833 533978386 /nfs/dbraw/zinc/97/83/86/533978386.db2.gz UCIJCGCHSTVJFF-IRXDYDNUSA-N 2 2 340.471 3.170 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000171921875 534207590 /nfs/dbraw/zinc/20/75/90/534207590.db2.gz WNFFASKLMGPYNZ-GOSISDBHSA-N 2 2 333.545 3.010 10 0 EGAELP CSc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000171921875 534207593 /nfs/dbraw/zinc/20/75/93/534207593.db2.gz WNFFASKLMGPYNZ-GOSISDBHSA-N 2 2 333.545 3.010 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155312679 534779696 /nfs/dbraw/zinc/77/96/96/534779696.db2.gz YODHSBCLGSOWFF-INIZCTEOSA-N 2 2 339.468 3.375 10 0 EGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155312679 534779700 /nfs/dbraw/zinc/77/97/00/534779700.db2.gz YODHSBCLGSOWFF-INIZCTEOSA-N 2 2 339.468 3.375 10 0 EGAELP CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCCCC2 ZINC000181475955 528143210 /nfs/dbraw/zinc/14/32/10/528143210.db2.gz PHVGZDYAWXHVIE-ROUUACIJSA-N 2 2 340.471 3.485 10 0 EGAELP CC[NH+]1CCC(CCNc2cc(C)[nH+]c(-c3cccnc3)n2)CC1 ZINC000266215563 535451669 /nfs/dbraw/zinc/45/16/69/535451669.db2.gz HBVRIUJAMFAMIB-UHFFFAOYSA-N 2 2 325.460 3.381 10 0 EGAELP COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000119584468 546707456 /nfs/dbraw/zinc/70/74/56/546707456.db2.gz IERZAPCEHFJMHX-GOSISDBHSA-N 2 2 342.483 3.013 10 0 EGAELP CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OCC ZINC000188410070 547147625 /nfs/dbraw/zinc/14/76/25/547147625.db2.gz DKKSOGJTBLIJJJ-QGZVFWFLSA-N 2 2 329.444 3.345 10 0 EGAELP CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OCC ZINC000188410070 547147626 /nfs/dbraw/zinc/14/76/26/547147626.db2.gz DKKSOGJTBLIJJJ-QGZVFWFLSA-N 2 2 329.444 3.345 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000662346041 548173392 /nfs/dbraw/zinc/17/33/92/548173392.db2.gz QQRZIDHBZXBYQM-HIFRSBDPSA-N 2 2 326.444 3.382 10 0 EGAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662346041 548173394 /nfs/dbraw/zinc/17/33/94/548173394.db2.gz QQRZIDHBZXBYQM-HIFRSBDPSA-N 2 2 326.444 3.382 10 0 EGAELP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000671626548 548319641 /nfs/dbraw/zinc/31/96/41/548319641.db2.gz VUGDUZVUQUTLRM-CABCVRRESA-N 2 2 349.438 3.458 10 0 EGAELP COc1cccc(F)c1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880607 548995506 /nfs/dbraw/zinc/99/55/06/548995506.db2.gz GKZIDCOMVUHMNV-GDBMZVCRSA-N 2 2 336.451 3.128 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000678822484 549570154 /nfs/dbraw/zinc/57/01/54/549570154.db2.gz GMACHHRHPBDJIM-SFHVURJKSA-N 2 2 334.467 3.431 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000678822484 549570159 /nfs/dbraw/zinc/57/01/59/549570159.db2.gz GMACHHRHPBDJIM-SFHVURJKSA-N 2 2 334.467 3.431 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000680129103 549825162 /nfs/dbraw/zinc/82/51/62/549825162.db2.gz OKNMMQIKSCENAZ-KRWDZBQOSA-N 2 2 340.814 3.452 10 0 EGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000683766521 550259176 /nfs/dbraw/zinc/25/91/76/550259176.db2.gz AHVYXUZGZWATMM-OAHLLOKOSA-N 2 2 338.377 3.279 10 0 EGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000683766521 550259179 /nfs/dbraw/zinc/25/91/79/550259179.db2.gz AHVYXUZGZWATMM-OAHLLOKOSA-N 2 2 338.377 3.279 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000729681463 574878262 /nfs/dbraw/zinc/87/82/62/574878262.db2.gz CYJPHLUAXRPOKA-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000729681463 574878265 /nfs/dbraw/zinc/87/82/65/574878265.db2.gz CYJPHLUAXRPOKA-IBGZPJMESA-N 2 2 340.467 3.458 10 0 EGAELP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000103229369 1293000056 /nfs/dbraw/zinc/00/00/56/1293000056.db2.gz XLGMFLFKKYVKLX-YLJYHZDGSA-N 2 2 334.479 3.447 10 0 EGAELP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1F ZINC000103229369 1293000062 /nfs/dbraw/zinc/00/00/62/1293000062.db2.gz XLGMFLFKKYVKLX-YLJYHZDGSA-N 2 2 334.479 3.447 10 0 EGAELP Cc1cccn2c(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cnc12 ZINC000131050673 1293676791 /nfs/dbraw/zinc/67/67/91/1293676791.db2.gz DIEWMICMGUDQAQ-KRWDZBQOSA-N 2 2 349.482 3.353 10 0 EGAELP CC(C)COc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000236680426 1296195289 /nfs/dbraw/zinc/19/52/89/1296195289.db2.gz BXVZJKFQRGUOHT-HXUWFJFHSA-N 2 2 334.504 3.168 10 0 EGAELP CC(C)COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000236680426 1296195291 /nfs/dbraw/zinc/19/52/91/1296195291.db2.gz BXVZJKFQRGUOHT-HXUWFJFHSA-N 2 2 334.504 3.168 10 0 EGAELP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C(F)(F)F ZINC000872152554 1296769115 /nfs/dbraw/zinc/76/91/15/1296769115.db2.gz SZKDKTMYPBWQHX-DGCLKSJQSA-N 2 2 343.780 3.457 10 0 EGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C(F)(F)F ZINC000872152554 1296769124 /nfs/dbraw/zinc/76/91/24/1296769124.db2.gz SZKDKTMYPBWQHX-DGCLKSJQSA-N 2 2 343.780 3.457 10 0 EGAELP O[C@@]1(C[NH2+]Cc2csc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000702552711 1298195991 /nfs/dbraw/zinc/19/59/91/1298195991.db2.gz ATRPEJYNTWQKJN-QGZVFWFLSA-N 2 2 336.888 3.128 10 0 EGAELP O[C@@]1(C[NH2+]Cc2csc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702552711 1298195997 /nfs/dbraw/zinc/19/59/97/1298195997.db2.gz ATRPEJYNTWQKJN-QGZVFWFLSA-N 2 2 336.888 3.128 10 0 EGAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000709311489 1298248349 /nfs/dbraw/zinc/24/83/49/1298248349.db2.gz VVKPMFIFHNTYMB-JKSUJKDBSA-N 2 2 339.524 3.238 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886004749 1303315904 /nfs/dbraw/zinc/31/59/04/1303315904.db2.gz ZWXPQFQSOLBWDO-SJLPKXTDSA-N 2 2 341.455 3.251 10 0 EGAELP CCc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000886530297 1303489286 /nfs/dbraw/zinc/48/92/86/1303489286.db2.gz HUGXMYLYZKOAHJ-WDSOQIARSA-N 2 2 325.456 3.380 10 0 EGAELP CCc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000886530297 1303489290 /nfs/dbraw/zinc/48/92/90/1303489290.db2.gz HUGXMYLYZKOAHJ-WDSOQIARSA-N 2 2 325.456 3.380 10 0 EGAELP c1cn2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920573 1305209765 /nfs/dbraw/zinc/20/97/65/1305209765.db2.gz HCNGQKTUPZPKED-INIZCTEOSA-N 2 2 332.517 3.484 10 0 EGAELP c1cn2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920573 1305209770 /nfs/dbraw/zinc/20/97/70/1305209770.db2.gz HCNGQKTUPZPKED-INIZCTEOSA-N 2 2 332.517 3.484 10 0 EGAELP Cc1ncc([C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC000895116894 1309197825 /nfs/dbraw/zinc/19/78/25/1309197825.db2.gz WLTLSOZBLZOHRB-DJIMGWMZSA-N 2 2 325.460 3.326 10 0 EGAELP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000895827080 1309540789 /nfs/dbraw/zinc/54/07/89/1309540789.db2.gz CMBBWVMLYIXAQG-UHFFFAOYSA-N 2 2 332.488 3.162 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c[nH+]1 ZINC000896353282 1309817905 /nfs/dbraw/zinc/81/79/05/1309817905.db2.gz XBRIBJPQADPYOO-ROUUACIJSA-N 2 2 346.519 3.040 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c[nH+]1 ZINC000896353282 1309817911 /nfs/dbraw/zinc/81/79/11/1309817911.db2.gz XBRIBJPQADPYOO-ROUUACIJSA-N 2 2 346.519 3.040 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719825 1328677005 /nfs/dbraw/zinc/67/70/05/1328677005.db2.gz QENXQWIOGSCAMC-XHSDSOJGSA-N 2 2 334.426 3.294 10 0 EGAELP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000929719825 1328677008 /nfs/dbraw/zinc/67/70/08/1328677008.db2.gz QENXQWIOGSCAMC-XHSDSOJGSA-N 2 2 334.426 3.294 10 0 EGAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763241 1328692954 /nfs/dbraw/zinc/69/29/54/1328692954.db2.gz MFDRYVWGMWRBQW-HRCADAONSA-N 2 2 334.426 3.150 10 0 EGAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763241 1328692959 /nfs/dbraw/zinc/69/29/59/1328692959.db2.gz MFDRYVWGMWRBQW-HRCADAONSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763241 1328692960 /nfs/dbraw/zinc/69/29/60/1328692960.db2.gz MFDRYVWGMWRBQW-HRCADAONSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929763241 1328692965 /nfs/dbraw/zinc/69/29/65/1328692965.db2.gz MFDRYVWGMWRBQW-HRCADAONSA-N 2 2 334.426 3.150 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146661 1328695593 /nfs/dbraw/zinc/69/55/93/1328695593.db2.gz KNQUENITXVUWJS-GOSISDBHSA-N 3 2 344.547 3.184 10 0 EGAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146661 1328695598 /nfs/dbraw/zinc/69/55/98/1328695598.db2.gz KNQUENITXVUWJS-GOSISDBHSA-N 3 2 344.547 3.184 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782382 1328700292 /nfs/dbraw/zinc/70/02/92/1328700292.db2.gz VEQFMDXASHGOQO-DZGCQCFKSA-N 2 2 340.309 3.457 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782382 1328700296 /nfs/dbraw/zinc/70/02/96/1328700296.db2.gz VEQFMDXASHGOQO-DZGCQCFKSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782382 1328700299 /nfs/dbraw/zinc/70/02/99/1328700299.db2.gz VEQFMDXASHGOQO-DZGCQCFKSA-N 2 2 340.309 3.457 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000929782382 1328700303 /nfs/dbraw/zinc/70/03/03/1328700303.db2.gz VEQFMDXASHGOQO-DZGCQCFKSA-N 2 2 340.309 3.457 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Br)cc1F ZINC000858165769 1328701009 /nfs/dbraw/zinc/70/10/09/1328701009.db2.gz MSTQNZZLYCKOBW-LLVKDONJSA-N 2 2 338.224 3.267 10 0 EGAELP O=c1[nH]c2cccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)c2o1 ZINC000921501905 1322329995 /nfs/dbraw/zinc/32/99/95/1322329995.db2.gz MPEAIWUMNRSIRV-UHFFFAOYSA-N 2 2 337.423 3.071 10 0 EGAELP O=c1[nH]c2cccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)c2o1 ZINC000921501905 1322330002 /nfs/dbraw/zinc/33/00/02/1322330002.db2.gz MPEAIWUMNRSIRV-UHFFFAOYSA-N 2 2 337.423 3.071 10 0 EGAELP C[C@@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC000923493145 1322761296 /nfs/dbraw/zinc/76/12/96/1322761296.db2.gz DUKVGUHKJGYTEN-NXEZZACHSA-N 2 2 333.220 3.144 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC000923493145 1322761302 /nfs/dbraw/zinc/76/13/02/1322761302.db2.gz DUKVGUHKJGYTEN-NXEZZACHSA-N 2 2 333.220 3.144 10 0 EGAELP Cn1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1C(F)(F)F ZINC000923508297 1322765368 /nfs/dbraw/zinc/76/53/68/1322765368.db2.gz UHHZAINKADGVHB-ZDUSSCGKSA-N 2 2 344.425 3.041 10 0 EGAELP c1[nH]cc([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)[nH+]1 ZINC000923866069 1322828540 /nfs/dbraw/zinc/82/85/40/1322828540.db2.gz BLVRGJOOLAFIJC-HZPDHXFCSA-N 2 2 335.411 3.327 10 0 EGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000931217510 1329072702 /nfs/dbraw/zinc/07/27/02/1329072702.db2.gz SOKOUGKVTIIGDY-UHFFFAOYSA-N 2 2 337.552 3.124 10 0 EGAELP C[N@@H+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3F)C[C@]2(C)C1 ZINC000931318906 1329092431 /nfs/dbraw/zinc/09/24/31/1329092431.db2.gz VNKTZSAJEQAIGF-CALCHBBNSA-N 2 2 326.456 3.331 10 0 EGAELP C[N@H+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3F)C[C@]2(C)C1 ZINC000931318906 1329092435 /nfs/dbraw/zinc/09/24/35/1329092435.db2.gz VNKTZSAJEQAIGF-CALCHBBNSA-N 2 2 326.456 3.331 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@H+](CCSc3ccc(F)cc3F)C[C@]2(C)C1 ZINC000931318906 1329092438 /nfs/dbraw/zinc/09/24/38/1329092438.db2.gz VNKTZSAJEQAIGF-CALCHBBNSA-N 2 2 326.456 3.331 10 0 EGAELP C[NH+]1C[C@]2(C)C[N@@H+](CCSc3ccc(F)cc3F)C[C@]2(C)C1 ZINC000931318906 1329092441 /nfs/dbraw/zinc/09/24/41/1329092441.db2.gz VNKTZSAJEQAIGF-CALCHBBNSA-N 2 2 326.456 3.331 10 0 EGAELP COc1ccc2c(c1)C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)O2 ZINC000931707850 1329167878 /nfs/dbraw/zinc/16/78/78/1329167878.db2.gz URAGAJUPULGNBJ-VQTJNVASSA-N 2 2 349.434 3.226 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000925157092 1325069001 /nfs/dbraw/zinc/06/90/01/1325069001.db2.gz NMGQGGAJCFIUFI-VQTJNVASSA-N 2 2 342.462 3.160 10 0 EGAELP Fc1ccc(-n2ccc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1 ZINC000925157092 1325069005 /nfs/dbraw/zinc/06/90/05/1325069005.db2.gz NMGQGGAJCFIUFI-VQTJNVASSA-N 2 2 342.462 3.160 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533430 1325195053 /nfs/dbraw/zinc/19/50/53/1325195053.db2.gz BBAPWELBWVRDSI-LMCOJAPRSA-N 3 2 329.532 3.393 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533430 1325195058 /nfs/dbraw/zinc/19/50/58/1325195058.db2.gz BBAPWELBWVRDSI-LMCOJAPRSA-N 3 2 329.532 3.393 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925585231 1325221092 /nfs/dbraw/zinc/22/10/92/1325221092.db2.gz GTSYIWRHSABYLC-AABGKKOBSA-N 2 2 330.516 3.395 10 0 EGAELP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925585231 1325221097 /nfs/dbraw/zinc/22/10/97/1325221097.db2.gz GTSYIWRHSABYLC-AABGKKOBSA-N 2 2 330.516 3.395 10 0 EGAELP Cc1c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)nnn1-c1ccc(C)cc1 ZINC000925841206 1325324130 /nfs/dbraw/zinc/32/41/30/1325324130.db2.gz HZRLNSXAUMVMHV-XFQXTVEOSA-N 2 2 339.487 3.067 10 0 EGAELP CC[C@H](C[C@@](C)(O)CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905976 1325352042 /nfs/dbraw/zinc/35/20/42/1325352042.db2.gz MTDBDTNRIIKHLT-UZLBHIALSA-N 2 2 348.535 3.354 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225929 1325481491 /nfs/dbraw/zinc/48/14/91/1325481491.db2.gz ZMEGVCDSSURJQP-OXJNMPFZSA-N 2 2 325.456 3.493 10 0 EGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000926225929 1325481494 /nfs/dbraw/zinc/48/14/94/1325481494.db2.gz ZMEGVCDSSURJQP-OXJNMPFZSA-N 2 2 325.456 3.493 10 0 EGAELP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)CC2 ZINC000926230032 1325485220 /nfs/dbraw/zinc/48/52/20/1325485220.db2.gz QNNIJZLOFITEOX-PMACEKPBSA-N 2 2 332.451 3.037 10 0 EGAELP C[C@H](Cc1ccccn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332296 1325518669 /nfs/dbraw/zinc/51/86/69/1325518669.db2.gz WAFIYDQSXMONDW-NVPAJSRCSA-N 2 2 341.421 3.408 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926480286 1325569695 /nfs/dbraw/zinc/56/96/95/1325569695.db2.gz DAEVEZGADWWLAV-CABCVRRESA-N 2 2 327.394 3.249 10 0 EGAELP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926480286 1325569703 /nfs/dbraw/zinc/56/97/03/1325569703.db2.gz DAEVEZGADWWLAV-CABCVRRESA-N 2 2 327.394 3.249 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926856173 1327742571 /nfs/dbraw/zinc/74/25/71/1327742571.db2.gz RCPCPIIZZMJXAZ-QHAWAJNXSA-N 2 2 343.515 3.444 10 0 EGAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926856173 1327742578 /nfs/dbraw/zinc/74/25/78/1327742578.db2.gz RCPCPIIZZMJXAZ-QHAWAJNXSA-N 2 2 343.515 3.444 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000926856169 1327743357 /nfs/dbraw/zinc/74/33/57/1327743357.db2.gz RCPCPIIZZMJXAZ-ACRUOGEOSA-N 2 2 343.515 3.444 10 0 EGAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000926856169 1327743361 /nfs/dbraw/zinc/74/33/61/1327743361.db2.gz RCPCPIIZZMJXAZ-ACRUOGEOSA-N 2 2 343.515 3.444 10 0 EGAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C[NH+](C)C ZINC000926962381 1327800228 /nfs/dbraw/zinc/80/02/28/1327800228.db2.gz LNCDGSQCNWFHER-UZLBHIALSA-N 2 2 327.472 3.366 10 0 EGAELP Cc1c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccnc1F ZINC000862244107 1329470419 /nfs/dbraw/zinc/47/04/19/1329470419.db2.gz JECUYZXNKZLCDC-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccnc1F ZINC000862244107 1329470420 /nfs/dbraw/zinc/47/04/20/1329470420.db2.gz JECUYZXNKZLCDC-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862244107 1329470422 /nfs/dbraw/zinc/47/04/22/1329470422.db2.gz JECUYZXNKZLCDC-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP Cc1c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862244107 1329470424 /nfs/dbraw/zinc/47/04/24/1329470424.db2.gz JECUYZXNKZLCDC-SFHVURJKSA-N 2 2 327.447 3.483 10 0 EGAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865787401 1329738595 /nfs/dbraw/zinc/73/85/95/1329738595.db2.gz QGGISBNXEGWYAR-UHFFFAOYSA-N 2 2 325.334 3.178 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703646 1330142307 /nfs/dbraw/zinc/14/23/07/1330142307.db2.gz NKALORFAEFHPRW-SFHVURJKSA-N 2 2 337.895 3.284 10 0 EGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703646 1330142309 /nfs/dbraw/zinc/14/23/09/1330142309.db2.gz NKALORFAEFHPRW-SFHVURJKSA-N 2 2 337.895 3.284 10 0 EGAELP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001324181965 1387552100 /nfs/dbraw/zinc/55/21/00/1387552100.db2.gz RVDWDEPYEAKVOA-ROUUACIJSA-N 2 2 334.508 3.097 10 0 EGAELP COc1ccc2[nH]c(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2c1 ZINC001324409634 1387618861 /nfs/dbraw/zinc/61/88/61/1387618861.db2.gz YVDYAIFMGGUQIG-UHFFFAOYSA-N 2 2 347.378 3.318 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1 ZINC001324817417 1387782888 /nfs/dbraw/zinc/78/28/88/1387782888.db2.gz IELJBCROTXQFEW-FQEVSTJZSA-N 2 2 346.519 3.059 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368601 1368799717 /nfs/dbraw/zinc/79/97/17/1368799717.db2.gz JKDLMDWOIQSCDD-GOSISDBHSA-N 3 2 347.466 3.286 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368601 1368799722 /nfs/dbraw/zinc/79/97/22/1368799722.db2.gz JKDLMDWOIQSCDD-GOSISDBHSA-N 3 2 347.466 3.286 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC001198790743 1369114992 /nfs/dbraw/zinc/11/49/92/1369114992.db2.gz NPSUAVZEKOISIG-AEFFLSMTSA-N 2 2 335.492 3.361 10 0 EGAELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC001198790743 1369114999 /nfs/dbraw/zinc/11/49/99/1369114999.db2.gz NPSUAVZEKOISIG-AEFFLSMTSA-N 2 2 335.492 3.361 10 0 EGAELP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116443632 1370913859 /nfs/dbraw/zinc/91/38/59/1370913859.db2.gz DOWULLQILSGXLJ-QGZVFWFLSA-N 2 2 341.455 3.484 10 0 EGAELP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116443632 1370913862 /nfs/dbraw/zinc/91/38/62/1370913862.db2.gz DOWULLQILSGXLJ-QGZVFWFLSA-N 2 2 341.455 3.484 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001326040831 1388104827 /nfs/dbraw/zinc/10/48/27/1388104827.db2.gz FFEBKYLALBOKSO-VDNIUXDYSA-N 2 2 340.471 3.182 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001326040831 1388104829 /nfs/dbraw/zinc/10/48/29/1388104829.db2.gz FFEBKYLALBOKSO-VDNIUXDYSA-N 2 2 340.471 3.182 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC001119729541 1371394594 /nfs/dbraw/zinc/39/45/94/1371394594.db2.gz QOWKEMXPUWKQLJ-CVEARBPZSA-N 2 2 345.409 3.485 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)CC2)c[nH+]1 ZINC001327131250 1388395694 /nfs/dbraw/zinc/39/56/94/1388395694.db2.gz ROSNDAIIHGDYDS-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCCC(C)C)CC2)c[nH+]1 ZINC001327131250 1388395699 /nfs/dbraw/zinc/39/56/99/1388395699.db2.gz ROSNDAIIHGDYDS-GOSISDBHSA-N 2 2 348.535 3.334 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223575 1377235462 /nfs/dbraw/zinc/23/54/62/1377235462.db2.gz SMKHSODATQGXQW-NKPGBKMFSA-N 2 2 346.862 3.290 10 0 EGAELP O=C(NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001266223575 1377235467 /nfs/dbraw/zinc/23/54/67/1377235467.db2.gz SMKHSODATQGXQW-NKPGBKMFSA-N 2 2 346.862 3.290 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469912 1377316319 /nfs/dbraw/zinc/31/63/19/1377316319.db2.gz VWDIAXSMYPVTOR-SLXDBMQSSA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469912 1377316323 /nfs/dbraw/zinc/31/63/23/1377316323.db2.gz VWDIAXSMYPVTOR-SLXDBMQSSA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469912 1377316326 /nfs/dbraw/zinc/31/63/26/1377316326.db2.gz VWDIAXSMYPVTOR-SLXDBMQSSA-N 2 2 346.519 3.115 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469912 1377316330 /nfs/dbraw/zinc/31/63/30/1377316330.db2.gz VWDIAXSMYPVTOR-SLXDBMQSSA-N 2 2 346.519 3.115 10 0 EGAELP Cc1cc(C)c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC001136254955 1377368528 /nfs/dbraw/zinc/36/85/28/1377368528.db2.gz GESXTDULJKIIQG-GJZGRUSLSA-N 2 2 331.504 3.495 10 0 EGAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001268227608 1377498376 /nfs/dbraw/zinc/49/83/76/1377498376.db2.gz MTECZAJZULIRPN-WMLDXEAASA-N 2 2 348.878 3.028 10 0 EGAELP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001284103047 1379475176 /nfs/dbraw/zinc/47/51/76/1379475176.db2.gz RMTMPEWZVIBVEQ-RCCFBDPRSA-N 2 2 346.519 3.058 10 0 EGAELP CC[C@H](C)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284537321 1379944670 /nfs/dbraw/zinc/94/46/70/1379944670.db2.gz NUWVVVWWZFKRFG-HNNXBMFYSA-N 2 2 330.476 3.391 10 0 EGAELP CC[C@H](C)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284537321 1379944672 /nfs/dbraw/zinc/94/46/72/1379944672.db2.gz NUWVVVWWZFKRFG-HNNXBMFYSA-N 2 2 330.476 3.391 10 0 EGAELP CC(C)CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284609213 1380008741 /nfs/dbraw/zinc/00/87/41/1380008741.db2.gz KOQLWUCOSDDUHC-INIZCTEOSA-N 2 2 330.476 3.115 10 0 EGAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001284695805 1380109148 /nfs/dbraw/zinc/10/91/48/1380109148.db2.gz XAMBOBKKXAQLIV-QGZVFWFLSA-N 2 2 346.519 3.070 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]Cc3ccsc3)ccn12 ZINC001328343287 1388726264 /nfs/dbraw/zinc/72/62/64/1388726264.db2.gz YRQPZDIOUMHOJK-ZDUSSCGKSA-N 2 2 342.468 3.002 10 0 EGAELP CC1=C(C)C[C@](C)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001302318206 1383748199 /nfs/dbraw/zinc/74/81/99/1383748199.db2.gz KTHAEXINLOAJMZ-HXUWFJFHSA-N 2 2 342.487 3.299 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001316769037 1384568162 /nfs/dbraw/zinc/56/81/62/1384568162.db2.gz GMASOPCWTMGPBP-ROUUACIJSA-N 2 2 334.508 3.240 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001316773482 1384572094 /nfs/dbraw/zinc/57/20/94/1384572094.db2.gz HBRWBWKHBNTSBP-GOSISDBHSA-N 2 2 334.508 3.070 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001316874681 1384660138 /nfs/dbraw/zinc/66/01/38/1384660138.db2.gz CHZHNQVVMWBLQE-MJGOQNOKSA-N 2 2 346.519 3.213 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317045398 1384820049 /nfs/dbraw/zinc/82/00/49/1384820049.db2.gz QZAXMCZSSVTEHN-RHIRGMCDSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317045398 1384820051 /nfs/dbraw/zinc/82/00/51/1384820051.db2.gz QZAXMCZSSVTEHN-RHIRGMCDSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317045398 1384820055 /nfs/dbraw/zinc/82/00/55/1384820055.db2.gz QZAXMCZSSVTEHN-RHIRGMCDSA-N 2 2 344.503 3.040 10 0 EGAELP CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317045398 1384820059 /nfs/dbraw/zinc/82/00/59/1384820059.db2.gz QZAXMCZSSVTEHN-RHIRGMCDSA-N 2 2 344.503 3.040 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317150338 1384916880 /nfs/dbraw/zinc/91/68/80/1384916880.db2.gz MXIFLDZTZXPEJA-RTBURBONSA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001317503654 1385208484 /nfs/dbraw/zinc/20/84/84/1385208484.db2.gz QUIGUWXFFMXTSV-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001317503654 1385208487 /nfs/dbraw/zinc/20/84/87/1385208487.db2.gz QUIGUWXFFMXTSV-MOPGFXCFSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508036 1385216699 /nfs/dbraw/zinc/21/66/99/1385216699.db2.gz AELAAIYSMHWFAJ-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1)n1cc[nH+]c1 ZINC001317508036 1385216703 /nfs/dbraw/zinc/21/67/03/1385216703.db2.gz AELAAIYSMHWFAJ-MJGOQNOKSA-N 2 2 346.519 3.385 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001317684888 1385395210 /nfs/dbraw/zinc/39/52/10/1385395210.db2.gz IEBHQCDDPIIIOP-MRXNPFEDSA-N 2 2 346.519 3.139 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411684 1385678239 /nfs/dbraw/zinc/67/82/39/1385678239.db2.gz DXQRVDCRGBJRBI-OSJSJHBBSA-N 2 2 340.471 3.456 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318411684 1385678240 /nfs/dbraw/zinc/67/82/40/1385678240.db2.gz DXQRVDCRGBJRBI-OSJSJHBBSA-N 2 2 340.471 3.456 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485296 1385718136 /nfs/dbraw/zinc/71/81/36/1385718136.db2.gz QGTCUOZNNJYHSQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485296 1385718144 /nfs/dbraw/zinc/71/81/44/1385718144.db2.gz QGTCUOZNNJYHSQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318485296 1385718153 /nfs/dbraw/zinc/71/81/53/1385718153.db2.gz QGTCUOZNNJYHSQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318485296 1385718162 /nfs/dbraw/zinc/71/81/62/1385718162.db2.gz QGTCUOZNNJYHSQ-AEFFLSMTSA-N 2 2 348.535 3.337 10 0 EGAELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001176976359 1385761354 /nfs/dbraw/zinc/76/13/54/1385761354.db2.gz AZFXKURZCSSVLX-UHFFFAOYSA-N 2 2 335.354 3.121 10 0 EGAELP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001319559716 1386178159 /nfs/dbraw/zinc/17/81/59/1386178159.db2.gz HCIPQXNOVPFRCI-HNNXBMFYSA-N 2 2 334.508 3.094 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC001179303948 1386444627 /nfs/dbraw/zinc/44/46/27/1386444627.db2.gz DSWZBKCNTWIRMC-IBGZPJMESA-N 2 2 344.499 3.068 10 0 EGAELP CC/C=C\CC[NH2+]C[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001698647102 1406296115 /nfs/dbraw/zinc/29/61/15/1406296115.db2.gz VPVPRMLFLJGANQ-BBIZLLLXSA-N 2 2 340.471 3.179 10 0 EGAELP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320148200 1386535204 /nfs/dbraw/zinc/53/52/04/1386535204.db2.gz AVXNEANOAJGJEC-IEBWSBKVSA-N 2 2 340.471 3.161 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001322182809 1387091611 /nfs/dbraw/zinc/09/16/11/1387091611.db2.gz JOJPCEYTTKULSL-INIZCTEOSA-N 2 2 347.503 3.040 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001322182809 1387091615 /nfs/dbraw/zinc/09/16/15/1387091615.db2.gz JOJPCEYTTKULSL-INIZCTEOSA-N 2 2 347.503 3.040 10 0 EGAELP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001322256698 1387123562 /nfs/dbraw/zinc/12/35/62/1387123562.db2.gz BBNBFSLKMQUTNM-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001322256698 1387123563 /nfs/dbraw/zinc/12/35/63/1387123563.db2.gz BBNBFSLKMQUTNM-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001329860779 1389238615 /nfs/dbraw/zinc/23/86/15/1389238615.db2.gz HWHPRPFHFGLPLB-UHFFFAOYSA-N 2 2 346.519 3.250 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001329940630 1389269561 /nfs/dbraw/zinc/26/95/61/1389269561.db2.gz ZMTIXKJHXJCYFX-WMZOPIPTSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001329940630 1389269564 /nfs/dbraw/zinc/26/95/64/1389269564.db2.gz ZMTIXKJHXJCYFX-WMZOPIPTSA-N 2 2 334.508 3.139 10 0 EGAELP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001329940630 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ZINC001732295574 1428517697 /nfs/dbraw/zinc/51/76/97/1428517697.db2.gz CTXHELUNEGCMBF-IBGZPJMESA-N 2 2 348.535 3.345 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001732480943 1428606126 /nfs/dbraw/zinc/60/61/26/1428606126.db2.gz XKIDOPJSCDKJRA-GOSISDBHSA-N 2 2 348.535 3.364 10 0 EGAELP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001699138115 1412529731 /nfs/dbraw/zinc/52/97/31/1412529731.db2.gz HEXACNDYLVUNQX-ROUUACIJSA-N 2 2 342.487 3.136 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001699846695 1413275384 /nfs/dbraw/zinc/27/53/84/1413275384.db2.gz JHBDIURTOWWYCT-HXUWFJFHSA-N 2 2 331.504 3.495 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699933343 1413376027 /nfs/dbraw/zinc/37/60/27/1413376027.db2.gz IOQRLYCKBRLAOT-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001699933343 1413376031 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VOWPLYRWVUCUSY-MRXNPFEDSA-N 2 2 342.487 3.211 10 0 EGAELP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732614527 1428877707 /nfs/dbraw/zinc/87/77/07/1428877707.db2.gz RIYIBMDQQNEEPL-MSOLQXFVSA-N 2 2 340.471 3.097 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001732624751 1428888593 /nfs/dbraw/zinc/88/85/93/1428888593.db2.gz GTWCFNWRCGPMCT-SJORKVTESA-N 2 2 342.487 3.403 10 0 EGAELP CCN(CC[NH2+]C[C@@H](C)CC(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732782768 1428967612 /nfs/dbraw/zinc/96/76/12/1428967612.db2.gz QLTRCWJGFQWRDI-HNNXBMFYSA-N 2 2 330.476 3.297 10 0 EGAELP CC/C=C\CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001707144767 1417221447 /nfs/dbraw/zinc/22/14/47/1417221447.db2.gz UPEFCUDOMULPBI-JEVUSQKCSA-N 2 2 346.519 3.224 10 0 EGAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC2(CC2)CC1 ZINC001713029515 1417580997 /nfs/dbraw/zinc/58/09/97/1417580997.db2.gz ZKGOIFMYDSLWDC-UHFFFAOYSA-N 2 2 346.519 3.059 10 0 EGAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC2(CC2)CC1 ZINC001713029515 1417581001 /nfs/dbraw/zinc/58/10/01/1417581001.db2.gz ZKGOIFMYDSLWDC-UHFFFAOYSA-N 2 2 346.519 3.059 10 0 EGAELP CC/C=C\CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001713107718 1417667988 /nfs/dbraw/zinc/66/79/88/1417667988.db2.gz DLIHPHJVDZUKRE-PYTPGESOSA-N 2 2 340.471 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001713678120 1418429562 /nfs/dbraw/zinc/42/95/62/1418429562.db2.gz VYDCJUZQZBHSRN-AEFFLSMTSA-N 2 2 334.508 3.095 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1)n1cc[nH+]c1 ZINC001713705053 1418464828 /nfs/dbraw/zinc/46/48/28/1418464828.db2.gz QKYFXDBLHJXIQW-OPZJBCNKSA-N 2 2 346.862 3.034 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001713779500 1418595556 /nfs/dbraw/zinc/59/55/56/1418595556.db2.gz AIVGAKGKRIUPHA-OSFIAYCASA-N 2 2 344.503 3.182 10 0 EGAELP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001713779500 1418595559 /nfs/dbraw/zinc/59/55/59/1418595559.db2.gz AIVGAKGKRIUPHA-OSFIAYCASA-N 2 2 344.503 3.182 10 0 EGAELP CC[C@H](C)C[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001733176131 1429278357 /nfs/dbraw/zinc/27/83/57/1429278357.db2.gz HBPMZQUJHJHAJT-KXBFYZLASA-N 2 2 340.471 3.016 10 0 EGAELP CC(C)CC[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001714189293 1418996333 /nfs/dbraw/zinc/99/63/33/1418996333.db2.gz RQVPHOUBIVZIRF-XLIONFOSSA-N 2 2 348.535 3.054 10 0 EGAELP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714279444 1419060367 /nfs/dbraw/zinc/06/03/67/1419060367.db2.gz VXKYHSPFFSWVAI-IAGOWNOFSA-N 2 2 342.487 3.252 10 0 EGAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001714359485 1419121667 /nfs/dbraw/zinc/12/16/67/1419121667.db2.gz ULWZOHMZCLPYSK-IBGZPJMESA-N 2 2 346.519 3.072 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)c[nH+]1 ZINC001714616464 1419378836 /nfs/dbraw/zinc/37/88/36/1419378836.db2.gz OZESLYPIFCFELO-SFHVURJKSA-N 2 2 344.503 3.008 10 0 EGAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)c[nH+]1 ZINC001714616464 1419378838 /nfs/dbraw/zinc/37/88/38/1419378838.db2.gz OZESLYPIFCFELO-SFHVURJKSA-N 2 2 344.503 3.008 10 0 EGAELP Cc1cccc(Cl)c1C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714762729 1419498312 /nfs/dbraw/zinc/49/83/12/1419498312.db2.gz JZTXLTKBDQXWSU-OAHLLOKOSA-N 2 2 348.878 3.044 10 0 EGAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001714998467 1419730004 /nfs/dbraw/zinc/73/00/04/1419730004.db2.gz NVQJHCYFZRMSKK-IBGZPJMESA-N 2 2 346.519 3.118 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001715038009 1419773949 /nfs/dbraw/zinc/77/39/49/1419773949.db2.gz JFUDURLQBRAIIL-QZTJIDSGSA-N 2 2 334.508 3.049 10 0 EGAELP CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001715038009 1419773950 /nfs/dbraw/zinc/77/39/50/1419773950.db2.gz JFUDURLQBRAIIL-QZTJIDSGSA-N 2 2 334.508 3.049 10 0 EGAELP 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CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733603844 1429812952 /nfs/dbraw/zinc/81/29/52/1429812952.db2.gz UXOXJARDQXMGNV-MBZYTVFJSA-N 2 2 344.503 3.109 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733603844 1429812960 /nfs/dbraw/zinc/81/29/60/1429812960.db2.gz UXOXJARDQXMGNV-MBZYTVFJSA-N 2 2 344.503 3.109 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941031 1437757226 /nfs/dbraw/zinc/75/72/26/1437757226.db2.gz NGTWTTRJAMTXSZ-ROUUACIJSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941031 1437757229 /nfs/dbraw/zinc/75/72/29/1437757229.db2.gz NGTWTTRJAMTXSZ-ROUUACIJSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941032 1437757412 /nfs/dbraw/zinc/75/74/12/1437757412.db2.gz NGTWTTRJAMTXSZ-ZWKOTPCHSA-N 2 2 346.519 3.093 10 0 EGAELP CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001733941032 1437757414 /nfs/dbraw/zinc/75/74/14/1437757414.db2.gz NGTWTTRJAMTXSZ-ZWKOTPCHSA-N 2 2 346.519 3.093 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001734013522 1437804750 /nfs/dbraw/zinc/80/47/50/1437804750.db2.gz OQMBICRLMWVERZ-YUDVSZGDSA-N 2 2 346.519 3.304 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001734013522 1437804752 /nfs/dbraw/zinc/80/47/52/1437804752.db2.gz OQMBICRLMWVERZ-YUDVSZGDSA-N 2 2 346.519 3.304 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734094678 1437879090 /nfs/dbraw/zinc/87/90/90/1437879090.db2.gz FGUAKWXZMJOCHO-INIZCTEOSA-N 2 2 348.535 3.433 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734094678 1437879093 /nfs/dbraw/zinc/87/90/93/1437879093.db2.gz FGUAKWXZMJOCHO-INIZCTEOSA-N 2 2 348.535 3.433 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001734446614 1438107502 /nfs/dbraw/zinc/10/75/02/1438107502.db2.gz QEFWPBXIRJWEEF-QILLFSRXSA-N 2 2 340.471 3.193 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001734565510 1438161388 /nfs/dbraw/zinc/16/13/88/1438161388.db2.gz YNKZRQNIWWMMGL-WMZOPIPTSA-N 2 2 348.535 3.002 10 0 EGAELP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001750927911 1440111849 /nfs/dbraw/zinc/11/18/49/1440111849.db2.gz UZVBMBLWVOUKFR-INIZCTEOSA-N 2 2 328.460 3.145 10 0 EGAELP CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001750927911 1440111850 /nfs/dbraw/zinc/11/18/50/1440111850.db2.gz UZVBMBLWVOUKFR-INIZCTEOSA-N 2 2 328.460 3.145 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC1=CCCCC1 ZINC001750933532 1440114234 /nfs/dbraw/zinc/11/42/34/1440114234.db2.gz FYJXAMHPSQEYKS-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC1=CCCCC1 ZINC001750933532 1440114236 /nfs/dbraw/zinc/11/42/36/1440114236.db2.gz FYJXAMHPSQEYKS-MJGOQNOKSA-N 2 2 344.503 3.133 10 0 EGAELP C[NH+]1CC[C@]2([C@]34CC[N@@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000053277634 214174415 /nfs/dbraw/zinc/17/44/15/214174415.db2.gz HOYXPMHLHJOGHD-CZYKHXBRSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP C[NH+]1CC[C@]2([C@]34CC[N@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000053277634 214174418 /nfs/dbraw/zinc/17/44/18/214174418.db2.gz HOYXPMHLHJOGHD-CZYKHXBRSA-N 2 2 346.478 3.037 10 0 endogenous,in-man EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000178323000 232136396 /nfs/dbraw/zinc/13/63/96/232136396.db2.gz ITTDLLZKQHHOHK-DZGCQCFKSA-N 2 2 346.862 3.337 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000178323000 232136399 /nfs/dbraw/zinc/13/63/99/232136399.db2.gz ITTDLLZKQHHOHK-DZGCQCFKSA-N 2 2 346.862 3.337 10 0 EGAELP COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178446959 232169143 /nfs/dbraw/zinc/16/91/43/232169143.db2.gz SQXVUGBROQHGKE-BEFAXECRSA-N 2 2 337.423 3.265 10 0 EGAELP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636111 243140616 /nfs/dbraw/zinc/14/06/16/243140616.db2.gz RKAQJQIBSRGGMY-CRAIPNDOSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636111 243140618 /nfs/dbraw/zinc/14/06/18/243140618.db2.gz RKAQJQIBSRGGMY-CRAIPNDOSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636111 243140621 /nfs/dbraw/zinc/14/06/21/243140621.db2.gz RKAQJQIBSRGGMY-CRAIPNDOSA-N 2 2 349.906 3.497 10 0 EGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000245636111 243140624 /nfs/dbraw/zinc/14/06/24/243140624.db2.gz RKAQJQIBSRGGMY-CRAIPNDOSA-N 2 2 349.906 3.497 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969759 217159574 /nfs/dbraw/zinc/15/95/74/217159574.db2.gz ZARNYNFZPXAAET-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969759 217159577 /nfs/dbraw/zinc/15/95/77/217159577.db2.gz ZARNYNFZPXAAET-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969759 217159579 /nfs/dbraw/zinc/15/95/79/217159579.db2.gz ZARNYNFZPXAAET-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000078969759 217159582 /nfs/dbraw/zinc/15/95/82/217159582.db2.gz ZARNYNFZPXAAET-CZUORRHYSA-N 2 2 332.423 3.038 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000093318760 218214040 /nfs/dbraw/zinc/21/40/40/218214040.db2.gz GCOIHYJYYXLWCG-PXNSSMCTSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000093318760 218214042 /nfs/dbraw/zinc/21/40/42/218214042.db2.gz GCOIHYJYYXLWCG-PXNSSMCTSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2cnccn12 ZINC000093318760 218214046 /nfs/dbraw/zinc/21/40/46/218214046.db2.gz GCOIHYJYYXLWCG-PXNSSMCTSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2cnccn12 ZINC000093318760 218214047 /nfs/dbraw/zinc/21/40/47/218214047.db2.gz GCOIHYJYYXLWCG-PXNSSMCTSA-N 2 2 349.482 3.072 10 0 EGAELP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1OC(F)F ZINC000093644277 218238908 /nfs/dbraw/zinc/23/89/08/218238908.db2.gz LRHRRPZBJKBUAU-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1OC(F)F ZINC000093644277 218238910 /nfs/dbraw/zinc/23/89/10/218238910.db2.gz LRHRRPZBJKBUAU-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093644277 218238913 /nfs/dbraw/zinc/23/89/13/218238913.db2.gz LRHRRPZBJKBUAU-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093644277 218238915 /nfs/dbraw/zinc/23/89/15/218238915.db2.gz LRHRRPZBJKBUAU-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP Cc1cccc(OC[C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095420726 218362255 /nfs/dbraw/zinc/36/22/55/218362255.db2.gz PRWTXDXLDJRCGP-SFHVURJKSA-N 2 2 339.483 3.412 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808450 252260706 /nfs/dbraw/zinc/26/07/06/252260706.db2.gz NEYFTYFTLYRYLL-CRAIPNDOSA-N 2 2 340.496 3.396 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000268808450 252260711 /nfs/dbraw/zinc/26/07/11/252260711.db2.gz NEYFTYFTLYRYLL-CRAIPNDOSA-N 2 2 340.496 3.396 10 0 EGAELP Fc1ccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1F ZINC000268956597 255503602 /nfs/dbraw/zinc/50/36/02/255503602.db2.gz HDPRRDPCRDGQMA-UHFFFAOYSA-N 2 2 345.353 3.118 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000338205865 285306401 /nfs/dbraw/zinc/30/64/01/285306401.db2.gz KJVNAYBCYQOGKT-HKUYNNGSSA-N 2 2 344.499 3.259 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246914859 141043342 /nfs/dbraw/zinc/04/33/42/141043342.db2.gz FUSDIRXXBPTWFB-VWKPWSFCSA-N 2 2 340.515 3.078 10 0 EGAELP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246914859 141043343 /nfs/dbraw/zinc/04/33/43/141043343.db2.gz FUSDIRXXBPTWFB-VWKPWSFCSA-N 2 2 340.515 3.078 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907588 141213959 /nfs/dbraw/zinc/21/39/59/141213959.db2.gz FLQAFTMMKBHDJM-RHSMWYFYSA-N 2 2 329.444 3.292 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1OC ZINC000347907588 141213960 /nfs/dbraw/zinc/21/39/60/141213960.db2.gz FLQAFTMMKBHDJM-RHSMWYFYSA-N 2 2 329.444 3.292 10 0 EGAELP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000350711939 141261653 /nfs/dbraw/zinc/26/16/53/141261653.db2.gz FXSWYMMZRFSQJC-UHFFFAOYSA-N 2 2 337.471 3.302 10 0 EGAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299670 /nfs/dbraw/zinc/29/96/70/141299670.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299671 /nfs/dbraw/zinc/29/96/71/141299671.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 2 2 331.504 3.269 10 0 EGAELP C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299672 /nfs/dbraw/zinc/29/96/72/141299672.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 2 2 331.504 3.269 10 0 EGAELP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299673 /nfs/dbraw/zinc/29/96/73/141299673.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 2 2 331.504 3.269 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388994 144003283 /nfs/dbraw/zinc/00/32/83/144003283.db2.gz LELOWPKWCOONEG-UHFFFAOYSA-N 2 2 349.906 3.395 10 0 EGAELP CCSc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000186216916 144127845 /nfs/dbraw/zinc/12/78/45/144127845.db2.gz FDEOPAIOMYVLBH-IBGZPJMESA-N 2 2 347.572 3.401 10 0 EGAELP CCSc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000186216916 144127847 /nfs/dbraw/zinc/12/78/47/144127847.db2.gz FDEOPAIOMYVLBH-IBGZPJMESA-N 2 2 347.572 3.401 10 0 EGAELP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000186984102 144148870 /nfs/dbraw/zinc/14/88/70/144148870.db2.gz GWUODWOFEBWKSB-UHFFFAOYSA-N 2 2 347.409 3.226 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000344684344 144209128 /nfs/dbraw/zinc/20/91/28/144209128.db2.gz XMCGMSUFVHBALZ-XLIONFOSSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000344684344 144209129 /nfs/dbraw/zinc/20/91/29/144209129.db2.gz XMCGMSUFVHBALZ-XLIONFOSSA-N 2 2 339.483 3.133 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872533 144234448 /nfs/dbraw/zinc/23/44/48/144234448.db2.gz UVAQSLSMBHJGQV-VNQPRFMTSA-N 2 2 330.394 3.206 10 0 EGAELP CO[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000344872533 144234450 /nfs/dbraw/zinc/23/44/50/144234450.db2.gz UVAQSLSMBHJGQV-VNQPRFMTSA-N 2 2 330.394 3.206 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2F)nc[nH+]1 ZINC000119115971 152175064 /nfs/dbraw/zinc/17/50/64/152175064.db2.gz ICKHGYQBSOQOQU-CQSZACIVSA-N 2 2 349.841 3.069 10 0 EGAELP CCCn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000119319759 152196314 /nfs/dbraw/zinc/19/63/14/152196314.db2.gz LTGDQKAYLAGTAW-UHFFFAOYSA-N 2 2 326.488 3.390 10 0 EGAELP CCCn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000119319759 152196317 /nfs/dbraw/zinc/19/63/17/152196317.db2.gz LTGDQKAYLAGTAW-UHFFFAOYSA-N 2 2 326.488 3.390 10 0 EGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2n1C ZINC000121356542 152345905 /nfs/dbraw/zinc/34/59/05/152345905.db2.gz NRLLVYWYHWXFSD-HNNXBMFYSA-N 2 2 335.455 3.288 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000191190140 153178968 /nfs/dbraw/zinc/17/89/68/153178968.db2.gz IYZOHWNCSARSJI-KBXCAEBGSA-N 2 2 331.485 3.324 10 0 EGAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000191190140 153178970 /nfs/dbraw/zinc/17/89/70/153178970.db2.gz IYZOHWNCSARSJI-KBXCAEBGSA-N 2 2 331.485 3.324 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000192948476 153268548 /nfs/dbraw/zinc/26/85/48/153268548.db2.gz RKACBQKVNWFJOQ-SFHVURJKSA-N 2 2 326.440 3.155 10 0 EGAELP COc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000192948476 153268551 /nfs/dbraw/zinc/26/85/51/153268551.db2.gz RKACBQKVNWFJOQ-SFHVURJKSA-N 2 2 326.440 3.155 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636353 153298668 /nfs/dbraw/zinc/29/86/68/153298668.db2.gz BFIGZJIVHHSQNL-QRQLOZEOSA-N 2 2 349.478 3.174 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636353 153298673 /nfs/dbraw/zinc/29/86/73/153298673.db2.gz BFIGZJIVHHSQNL-QRQLOZEOSA-N 2 2 349.478 3.174 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193636353 153298680 /nfs/dbraw/zinc/29/86/80/153298680.db2.gz BFIGZJIVHHSQNL-QRQLOZEOSA-N 2 2 349.478 3.174 10 0 EGAELP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193636353 153298685 /nfs/dbraw/zinc/29/86/85/153298685.db2.gz BFIGZJIVHHSQNL-QRQLOZEOSA-N 2 2 349.478 3.174 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658249 153299800 /nfs/dbraw/zinc/29/98/00/153299800.db2.gz DKHJXHMSPLUWSA-LUKYLMHMSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658249 153299804 /nfs/dbraw/zinc/29/98/04/153299804.db2.gz DKHJXHMSPLUWSA-LUKYLMHMSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658249 153299809 /nfs/dbraw/zinc/29/98/09/153299809.db2.gz DKHJXHMSPLUWSA-LUKYLMHMSA-N 2 2 329.488 3.021 10 0 EGAELP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658249 153299813 /nfs/dbraw/zinc/29/98/13/153299813.db2.gz DKHJXHMSPLUWSA-LUKYLMHMSA-N 2 2 329.488 3.021 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071709 154138138 /nfs/dbraw/zinc/13/81/38/154138138.db2.gz ACKOZLLJAXITGS-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310071709 154138144 /nfs/dbraw/zinc/13/81/44/154138144.db2.gz ACKOZLLJAXITGS-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310071709 154138146 /nfs/dbraw/zinc/13/81/46/154138146.db2.gz ACKOZLLJAXITGS-RMVXJAJNSA-N 3 2 329.532 3.217 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCCO2 ZINC000359520583 292368013 /nfs/dbraw/zinc/36/80/13/292368013.db2.gz YKMJKCZGVKXUBA-PKOBYXMFSA-N 2 2 332.488 3.155 10 0 EGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CCCO2 ZINC000359520583 292368014 /nfs/dbraw/zinc/36/80/14/292368014.db2.gz YKMJKCZGVKXUBA-PKOBYXMFSA-N 2 2 332.488 3.155 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1O ZINC000093016666 161989524 /nfs/dbraw/zinc/98/95/24/161989524.db2.gz BZMBWPQOORNCIA-GOSISDBHSA-N 2 2 332.488 3.489 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1O ZINC000093016666 161989526 /nfs/dbraw/zinc/98/95/26/161989526.db2.gz BZMBWPQOORNCIA-GOSISDBHSA-N 2 2 332.488 3.489 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000126296657 162299010 /nfs/dbraw/zinc/29/90/10/162299010.db2.gz JRMPYDXSWJXTPY-BPQIPLTHSA-N 2 2 331.504 3.228 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000126296657 162299014 /nfs/dbraw/zinc/29/90/14/162299014.db2.gz JRMPYDXSWJXTPY-BPQIPLTHSA-N 2 2 331.504 3.228 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000130573471 162372764 /nfs/dbraw/zinc/37/27/64/162372764.db2.gz BRKZZHNMXNHHSK-MRXNPFEDSA-N 2 2 325.460 3.237 10 0 EGAELP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000130573471 162372770 /nfs/dbraw/zinc/37/27/70/162372770.db2.gz BRKZZHNMXNHHSK-MRXNPFEDSA-N 2 2 325.460 3.237 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cncc(F)c1 ZINC000247949190 162979312 /nfs/dbraw/zinc/97/93/12/162979312.db2.gz DVNXCCHBJZASCL-YZVOILCLSA-N 2 2 328.435 3.177 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cncc(F)c1 ZINC000247949190 162979313 /nfs/dbraw/zinc/97/93/13/162979313.db2.gz DVNXCCHBJZASCL-YZVOILCLSA-N 2 2 328.435 3.177 10 0 EGAELP CC[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+](CC)CC ZINC000337162364 163149262 /nfs/dbraw/zinc/14/92/62/163149262.db2.gz VICSYLMDTUFTIK-FUHWJXTLSA-N 2 2 346.519 3.046 10 0 EGAELP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@]1(C)CCCO1 ZINC000340377281 287010137 /nfs/dbraw/zinc/01/01/37/287010137.db2.gz JBQYEYCMENQBLV-KKOFPSKJSA-N 2 2 334.426 3.339 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](C4CC4)C3)c2cc1C ZINC000344029946 164086120 /nfs/dbraw/zinc/08/61/20/164086120.db2.gz BEFYSXUBICXACE-MSOLQXFVSA-N 2 2 327.472 3.136 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](C4CC4)C3)c2cc1C ZINC000344029946 164086123 /nfs/dbraw/zinc/08/61/23/164086123.db2.gz BEFYSXUBICXACE-MSOLQXFVSA-N 2 2 327.472 3.136 10 0 EGAELP c1coc([C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCCC2)c1 ZINC000344151551 164114537 /nfs/dbraw/zinc/11/45/37/164114537.db2.gz SNMHMURVMOMLNP-QGZVFWFLSA-N 2 2 342.468 3.454 10 0 EGAELP c1coc([C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCCC2)c1 ZINC000344151549 164114842 /nfs/dbraw/zinc/11/48/42/164114842.db2.gz SNMHMURVMOMLNP-KRWDZBQOSA-N 2 2 342.468 3.454 10 0 EGAELP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)NCC1CCCC1 ZINC000344319371 164155004 /nfs/dbraw/zinc/15/50/04/164155004.db2.gz BEQTVNCVLOCWMU-UHFFFAOYSA-N 2 2 346.500 3.108 10 0 EGAELP Cc1cnn(-c2cc[nH+]cc2NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000344329066 164157689 /nfs/dbraw/zinc/15/76/89/164157689.db2.gz SEABHCJYMCUBPJ-UHFFFAOYSA-N 2 2 336.424 3.435 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000360329944 167304032 /nfs/dbraw/zinc/30/40/32/167304032.db2.gz QDUWMXZETSJXSZ-ZJMJOCHXSA-N 2 2 336.479 3.145 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000360329944 167304035 /nfs/dbraw/zinc/30/40/35/167304035.db2.gz QDUWMXZETSJXSZ-ZJMJOCHXSA-N 2 2 336.479 3.145 10 0 EGAELP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000366829649 168145942 /nfs/dbraw/zinc/14/59/42/168145942.db2.gz QZALWWZLGRAENE-UHFFFAOYSA-N 2 2 344.422 3.051 10 0 EGAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989518 266397832 /nfs/dbraw/zinc/39/78/32/266397832.db2.gz GFHCCVOSBJNJME-MJGOQNOKSA-N 2 2 343.515 3.049 10 0 EGAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000269989518 266397836 /nfs/dbraw/zinc/39/78/36/266397836.db2.gz GFHCCVOSBJNJME-MJGOQNOKSA-N 2 2 343.515 3.049 10 0 EGAELP CC1(C)OCc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2O1 ZINC000274539965 267252722 /nfs/dbraw/zinc/25/27/22/267252722.db2.gz BXIDOFNPKSOQGS-UHFFFAOYSA-N 2 2 327.428 3.434 10 0 EGAELP CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000190418780 275844715 /nfs/dbraw/zinc/84/47/15/275844715.db2.gz LTHBTFRYDNWAPM-HIFRSBDPSA-N 2 2 336.442 3.444 10 0 EGAELP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000414130744 309062749 /nfs/dbraw/zinc/06/27/49/309062749.db2.gz XXYKUTIPOZHKNR-AEFFLSMTSA-N 2 2 331.435 3.426 10 0 EGAELP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000414806711 309102509 /nfs/dbraw/zinc/10/25/09/309102509.db2.gz HZOYOAQYJBEQHL-SECBINFHSA-N 2 2 326.263 3.215 10 0 EGAELP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1OC(F)F ZINC000414824499 309103898 /nfs/dbraw/zinc/10/38/98/309103898.db2.gz AQBFMFKZAQQFPZ-OAHLLOKOSA-N 2 2 336.382 3.476 10 0 EGAELP [NH3+][C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000414837581 309104888 /nfs/dbraw/zinc/10/48/88/309104888.db2.gz UOINUOVYGJDBLD-VQTJNVASSA-N 2 2 326.440 3.034 10 0 EGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCc3sccc32)nc[nH+]1 ZINC000329105014 308777887 /nfs/dbraw/zinc/77/78/87/308777887.db2.gz CWWOCINZJSEPFJ-HIFRSBDPSA-N 2 2 343.500 3.216 10 0 EGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415141983 309123552 /nfs/dbraw/zinc/12/35/52/309123552.db2.gz QEAOQKNGOPOFQK-UHFFFAOYSA-N 2 2 341.459 3.260 10 0 EGAELP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000419286808 309263185 /nfs/dbraw/zinc/26/31/85/309263185.db2.gz FXUSZSHGUPMKKV-SFHVURJKSA-N 2 2 347.890 3.052 10 0 EGAELP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)ccn1 ZINC000421384709 309322117 /nfs/dbraw/zinc/32/21/17/309322117.db2.gz PLRDOFRHCNVOTP-QGZVFWFLSA-N 2 2 331.529 3.169 10 0 EGAELP COc1ccc([C@H]([NH2+]CCOCc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422834619 309370956 /nfs/dbraw/zinc/37/09/56/309370956.db2.gz ZWJLBMKNYWERIU-RTWAWAEBSA-N 2 2 340.467 3.295 10 0 EGAELP Clc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422910332 309375891 /nfs/dbraw/zinc/37/58/91/309375891.db2.gz QIWYVMARNMIADA-ZWKOTPCHSA-N 2 2 334.891 3.118 10 0 EGAELP COc1ccc(Br)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422939361 309377270 /nfs/dbraw/zinc/37/72/70/309377270.db2.gz RFGFGTACUYWVGV-SNVBAGLBSA-N 2 2 336.233 3.116 10 0 EGAELP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000422990620 309379792 /nfs/dbraw/zinc/37/97/92/309379792.db2.gz NYIJZVSJBIMDPW-ZXNZYJFHSA-N 2 2 346.515 3.409 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423081984 309385083 /nfs/dbraw/zinc/38/50/83/309385083.db2.gz DQZBHAOXYHJQHA-RBUKOAKNSA-N 2 2 344.499 3.021 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147277 309388413 /nfs/dbraw/zinc/38/84/13/309388413.db2.gz ROFQMBXQCBNPGG-UYAOXDASSA-N 2 2 339.483 3.451 10 0 EGAELP COc1ccc([C@H]([NH2+]CCc2ccc(C)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423161276 309388834 /nfs/dbraw/zinc/38/88/34/309388834.db2.gz IOXHWGNYCQZBFX-UXHICEINSA-N 2 2 325.456 3.024 10 0 EGAELP CC(C)c1nc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cs1 ZINC000423238019 309391743 /nfs/dbraw/zinc/39/17/43/309391743.db2.gz UUMXRSIYGJRZTM-ZDUSSCGKSA-N 2 2 331.489 3.244 10 0 EGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423253610 309392459 /nfs/dbraw/zinc/39/24/59/309392459.db2.gz ZCNBCQHXSYRWPX-VKJFTORMSA-N 2 2 328.456 3.485 10 0 EGAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423397128 309398613 /nfs/dbraw/zinc/39/86/13/309398613.db2.gz ODXOZOVGWPMGAR-IIMNLJJBSA-N 2 2 327.241 3.163 10 0 EGAELP COc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000423465737 309401350 /nfs/dbraw/zinc/40/13/50/309401350.db2.gz NBFFEHYLVDFHKK-UEKVPHQBSA-N 2 2 329.282 3.480 10 0 EGAELP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449078240 310035363 /nfs/dbraw/zinc/03/53/63/310035363.db2.gz XMFLLPIJWJIPAJ-SFHVURJKSA-N 2 2 327.472 3.013 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449115803 310038120 /nfs/dbraw/zinc/03/81/20/310038120.db2.gz JASFGSWXAJFHMR-LJQANCHMSA-N 2 2 328.456 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449115803 310038121 /nfs/dbraw/zinc/03/81/21/310038121.db2.gz JASFGSWXAJFHMR-LJQANCHMSA-N 2 2 328.456 3.049 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC000449249137 310047363 /nfs/dbraw/zinc/04/73/63/310047363.db2.gz KSCMEFMENJVLHW-YLJYHZDGSA-N 2 2 342.483 3.388 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459685 310063749 /nfs/dbraw/zinc/06/37/49/310063749.db2.gz YLABOALJMDOQSM-HSALFYBXSA-N 2 2 325.456 3.388 10 0 EGAELP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449459685 310063750 /nfs/dbraw/zinc/06/37/50/310063750.db2.gz YLABOALJMDOQSM-HSALFYBXSA-N 2 2 325.456 3.388 10 0 EGAELP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CCn4cc[nH+]c43)c2)C[C@@H](C)O1 ZINC000453181571 310262772 /nfs/dbraw/zinc/26/27/72/310262772.db2.gz ZEAOWBQITXCIQI-RKVPGOIHSA-N 2 2 326.444 3.049 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265709 310267995 /nfs/dbraw/zinc/26/79/95/310267995.db2.gz NSHLDFZZGLESQW-DYESRHJHSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-c2ccncc2)cc1 ZINC000453265709 310267996 /nfs/dbraw/zinc/26/79/96/310267996.db2.gz NSHLDFZZGLESQW-DYESRHJHSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270248 310268214 /nfs/dbraw/zinc/26/82/14/310268214.db2.gz SDNMKILYXCBASD-UTKZUKDTSA-N 2 2 339.483 3.246 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(-c2ccncc2)c1 ZINC000453270248 310268215 /nfs/dbraw/zinc/26/82/15/310268215.db2.gz SDNMKILYXCBASD-UTKZUKDTSA-N 2 2 339.483 3.246 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272810 310268335 /nfs/dbraw/zinc/26/83/35/310268335.db2.gz VIMAWLZIDJBMAW-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)c(F)c1 ZINC000453272810 310268336 /nfs/dbraw/zinc/26/83/36/310268336.db2.gz VIMAWLZIDJBMAW-MAUKXSAKSA-N 2 2 326.431 3.098 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059355 311162678 /nfs/dbraw/zinc/16/26/78/311162678.db2.gz SNEUYKAXACEQLB-ZWKOTPCHSA-N 2 2 337.552 3.268 10 0 EGAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059355 311162679 /nfs/dbraw/zinc/16/26/79/311162679.db2.gz SNEUYKAXACEQLB-ZWKOTPCHSA-N 2 2 337.552 3.268 10 0 EGAELP CC(C)Cc1ccc([C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[NH+](C)C)cc1 ZINC000495027089 311532438 /nfs/dbraw/zinc/53/24/38/311532438.db2.gz KNPCWHDSNQXJRN-MOPGFXCFSA-N 2 2 345.531 3.135 10 0 EGAELP COC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000513458731 312211131 /nfs/dbraw/zinc/21/11/31/312211131.db2.gz TZVBJLRKUBGNON-TWOQFEAHSA-N 2 2 344.499 3.206 10 0 EGAELP C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000516656889 312336173 /nfs/dbraw/zinc/33/61/73/312336173.db2.gz PLTNJVJGOJPZPW-UHFFFAOYSA-N 2 2 341.402 3.440 10 0 EGAELP C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000516656889 312336174 /nfs/dbraw/zinc/33/61/74/312336174.db2.gz PLTNJVJGOJPZPW-UHFFFAOYSA-N 2 2 341.402 3.440 10 0 EGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359768 /nfs/dbraw/zinc/35/97/68/312359768.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359770 /nfs/dbraw/zinc/35/97/70/312359770.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359771 /nfs/dbraw/zinc/35/97/71/312359771.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP CC[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359773 /nfs/dbraw/zinc/35/97/73/312359773.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 3 2 327.516 3.115 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015036 313000479 /nfs/dbraw/zinc/00/04/79/313000479.db2.gz WQQJOSAYPHXKEM-YOEHRIQHSA-N 2 2 348.487 3.380 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015036 313000483 /nfs/dbraw/zinc/00/04/83/313000483.db2.gz WQQJOSAYPHXKEM-YOEHRIQHSA-N 2 2 348.487 3.380 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417976 313088543 /nfs/dbraw/zinc/08/85/43/313088543.db2.gz VQOOEPXFSKADMH-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417976 313088544 /nfs/dbraw/zinc/08/85/44/313088544.db2.gz VQOOEPXFSKADMH-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417976 313088546 /nfs/dbraw/zinc/08/85/46/313088546.db2.gz VQOOEPXFSKADMH-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000528417976 313088548 /nfs/dbraw/zinc/08/85/48/313088548.db2.gz VQOOEPXFSKADMH-LRDDRELGSA-N 2 2 341.858 3.080 10 0 EGAELP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC(F)(F)C1 ZINC000529540783 313349871 /nfs/dbraw/zinc/34/98/71/313349871.db2.gz FYBZRDKTTUPRQX-ZDUSSCGKSA-N 2 2 338.446 3.458 10 0 EGAELP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC(F)(F)C1 ZINC000529540780 313350140 /nfs/dbraw/zinc/35/01/40/313350140.db2.gz FYBZRDKTTUPRQX-CYBMUJFWSA-N 2 2 338.446 3.458 10 0 EGAELP COc1ccc(CN2CC[C@@H]2C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000529644514 313377085 /nfs/dbraw/zinc/37/70/85/313377085.db2.gz NZKPOTOYXLOCIH-HXUWFJFHSA-N 2 2 339.483 3.195 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000535369586 314043521 /nfs/dbraw/zinc/04/35/21/314043521.db2.gz JKHXQNZISSLEMC-UHFFFAOYSA-N 2 2 331.847 3.244 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806663 314340295 /nfs/dbraw/zinc/34/02/95/314340295.db2.gz WYXNDXQHTPBYDF-RHSMWYFYSA-N 2 2 335.455 3.011 10 0 EGAELP Cc1nc2[nH]ccc2c(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000539806663 314340296 /nfs/dbraw/zinc/34/02/96/314340296.db2.gz WYXNDXQHTPBYDF-RHSMWYFYSA-N 2 2 335.455 3.011 10 0 EGAELP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424891 315008264 /nfs/dbraw/zinc/00/82/64/315008264.db2.gz FGDSFCDOMOAYOM-RVKKMQEKSA-N 2 2 349.906 3.076 10 0 EGAELP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548424891 315008265 /nfs/dbraw/zinc/00/82/65/315008265.db2.gz FGDSFCDOMOAYOM-RVKKMQEKSA-N 2 2 349.906 3.076 10 0 EGAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(=O)[nH]n2)c(C)c1 ZINC000552063302 315194740 /nfs/dbraw/zinc/19/47/40/315194740.db2.gz VWQQJMJMOMCRLR-QAPCUYQASA-N 2 2 337.427 3.088 10 0 EGAELP C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552230561 315207744 /nfs/dbraw/zinc/20/77/44/315207744.db2.gz KXMPOCUNDCHYMY-UYTYNIKBSA-N 2 2 344.503 3.182 10 0 EGAELP C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552230560 315207776 /nfs/dbraw/zinc/20/77/76/315207776.db2.gz KXMPOCUNDCHYMY-DUQPFJRNSA-N 2 2 344.503 3.182 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000554360614 315312573 /nfs/dbraw/zinc/31/25/73/315312573.db2.gz IXFJOQNDFVDUIV-UXHICEINSA-N 2 2 346.515 3.312 10 0 EGAELP C[C@H](c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1)C(F)(F)F ZINC000564586892 316171534 /nfs/dbraw/zinc/17/15/34/316171534.db2.gz YMMCIAHAHJMLDF-CYBMUJFWSA-N 2 2 338.377 3.398 10 0 EGAELP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000566020648 316404940 /nfs/dbraw/zinc/40/49/40/316404940.db2.gz YZASHZGIUKTSJE-QGZVFWFLSA-N 2 2 325.456 3.234 10 0 EGAELP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000571289439 317178734 /nfs/dbraw/zinc/17/87/34/317178734.db2.gz BKTYYXLEPMJEQJ-ZDUSSCGKSA-N 2 2 341.293 3.211 10 0 EGAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000572398020 317333339 /nfs/dbraw/zinc/33/33/39/317333339.db2.gz VGGYQEFUWXKJAU-HCABJEFNSA-N 2 2 325.412 3.042 10 0 EGAELP COc1cncc(/C=C\CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000572398020 317333340 /nfs/dbraw/zinc/33/33/40/317333340.db2.gz VGGYQEFUWXKJAU-HCABJEFNSA-N 2 2 325.412 3.042 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC(F)(F)F)c(C)c1 ZINC000572475812 317344450 /nfs/dbraw/zinc/34/44/50/317344450.db2.gz UZIQJNOEWYFFKI-GDBMZVCRSA-N 2 2 341.377 3.144 10 0 EGAELP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000177357767 323339693 /nfs/dbraw/zinc/33/96/93/323339693.db2.gz GRURDSNXXPEWFT-KGLIPLIRSA-N 2 2 341.293 3.068 10 0 EGAELP Cn1c[nH+]cc1Cc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000350210009 324062282 /nfs/dbraw/zinc/06/22/82/324062282.db2.gz MDRDEHNUOPWHBR-UHFFFAOYSA-N 2 2 337.427 3.047 10 0 EGAELP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389946977 324281487 /nfs/dbraw/zinc/28/14/87/324281487.db2.gz QWLGEWNOIAJZBW-IEBWSBKVSA-N 2 2 326.488 3.332 10 0 EGAELP C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676060 455224505 /nfs/dbraw/zinc/22/45/05/455224505.db2.gz AMZNNTDFWKFIGC-ZDUSSCGKSA-N 2 2 335.367 3.366 10 0 EGAELP c1ccc(-c2noc(CC[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000157743350 455226823 /nfs/dbraw/zinc/22/68/23/455226823.db2.gz IZIFEDSLMVRBRM-INIZCTEOSA-N 2 2 349.438 3.108 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423573187 458458189 /nfs/dbraw/zinc/45/81/89/458458189.db2.gz ZDJXQGCYFOHIAU-QMTHXVAHSA-N 2 2 327.241 3.307 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180948445 455267972 /nfs/dbraw/zinc/26/79/72/455267972.db2.gz MGYCWWPHGDVQJT-RISCZKNCSA-N 2 2 327.266 3.030 10 0 EGAELP COc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180948445 455267973 /nfs/dbraw/zinc/26/79/73/455267973.db2.gz MGYCWWPHGDVQJT-RISCZKNCSA-N 2 2 327.266 3.030 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440427 460551445 /nfs/dbraw/zinc/55/14/45/460551445.db2.gz VOIHYSBMAQDRJQ-RLLQIKCJSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440427 460551452 /nfs/dbraw/zinc/55/14/52/460551452.db2.gz VOIHYSBMAQDRJQ-RLLQIKCJSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440427 460551456 /nfs/dbraw/zinc/55/14/56/460551456.db2.gz VOIHYSBMAQDRJQ-RLLQIKCJSA-N 3 2 329.532 3.359 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469953 460566319 /nfs/dbraw/zinc/56/63/19/460566319.db2.gz XXALOAFXSFPCOS-APWZRJJASA-N 3 2 330.520 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623469953 460566324 /nfs/dbraw/zinc/56/63/24/460566324.db2.gz XXALOAFXSFPCOS-APWZRJJASA-N 3 2 330.520 3.069 10 0 EGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000190474477 455327058 /nfs/dbraw/zinc/32/70/58/455327058.db2.gz BBMOGKUNXFPIEK-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000190474477 455327063 /nfs/dbraw/zinc/32/70/63/455327063.db2.gz BBMOGKUNXFPIEK-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000190474477 455327064 /nfs/dbraw/zinc/32/70/64/455327064.db2.gz BBMOGKUNXFPIEK-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000190474477 455327070 /nfs/dbraw/zinc/32/70/70/455327070.db2.gz BBMOGKUNXFPIEK-INIZCTEOSA-N 2 2 331.410 3.314 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1cccs1 ZINC000631886264 460589565 /nfs/dbraw/zinc/58/95/65/460589565.db2.gz GNIOAJQPDCTMKJ-HDMKZQKVSA-N 2 2 349.544 3.025 10 0 EGAELP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1cccs1 ZINC000631886264 460589569 /nfs/dbraw/zinc/58/95/69/460589569.db2.gz GNIOAJQPDCTMKJ-HDMKZQKVSA-N 2 2 349.544 3.025 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081629986 453898293 /nfs/dbraw/zinc/89/82/93/453898293.db2.gz LIVCLORMMSVFHJ-DOTOQJQBSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081629986 453898297 /nfs/dbraw/zinc/89/82/97/453898297.db2.gz LIVCLORMMSVFHJ-DOTOQJQBSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081629986 453898300 /nfs/dbraw/zinc/89/83/00/453898300.db2.gz LIVCLORMMSVFHJ-DOTOQJQBSA-N 2 2 340.471 3.461 10 0 EGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081629986 453898304 /nfs/dbraw/zinc/89/83/04/453898304.db2.gz LIVCLORMMSVFHJ-DOTOQJQBSA-N 2 2 340.471 3.461 10 0 EGAELP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1F ZINC000069457576 454107761 /nfs/dbraw/zinc/10/77/61/454107761.db2.gz BLBIVSPLWHVSOW-UHFFFAOYSA-N 2 2 335.342 3.220 10 0 EGAELP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000089623330 454168998 /nfs/dbraw/zinc/16/89/98/454168998.db2.gz VCNKKKUAGYXQLU-QGZVFWFLSA-N 2 2 339.483 3.275 10 0 EGAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435404 454195549 /nfs/dbraw/zinc/19/55/49/454195549.db2.gz WPYIELLRDDRARJ-KXBFYZLASA-N 2 2 339.487 3.225 10 0 EGAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435404 454195553 /nfs/dbraw/zinc/19/55/53/454195553.db2.gz WPYIELLRDDRARJ-KXBFYZLASA-N 2 2 339.487 3.225 10 0 EGAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435650 454195959 /nfs/dbraw/zinc/19/59/59/454195959.db2.gz WPYIELLRDDRARJ-HNAYVOBHSA-N 2 2 339.487 3.225 10 0 EGAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1cc[nH+]c(C)n1 ZINC000119435650 454195965 /nfs/dbraw/zinc/19/59/65/454195965.db2.gz WPYIELLRDDRARJ-HNAYVOBHSA-N 2 2 339.487 3.225 10 0 EGAELP O[C@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000090771275 454339765 /nfs/dbraw/zinc/33/97/65/454339765.db2.gz QQTQMZJMANKMLB-HXUWFJFHSA-N 2 2 337.467 3.154 10 0 EGAELP Clc1ccc(C2=NO[C@H](C[NH+]3CCC(n4cc[nH+]c4)CC3)C2)cc1 ZINC000121205134 454405718 /nfs/dbraw/zinc/40/57/18/454405718.db2.gz BOGPPVMOYYXLSN-KRWDZBQOSA-N 2 2 344.846 3.367 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]1 ZINC000097200839 454423394 /nfs/dbraw/zinc/42/33/94/454423394.db2.gz SYOKFUCKQPUOEF-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]1 ZINC000097200839 454423399 /nfs/dbraw/zinc/42/33/99/454423399.db2.gz SYOKFUCKQPUOEF-INIZCTEOSA-N 2 2 349.438 3.374 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000123805070 454676862 /nfs/dbraw/zinc/67/68/62/454676862.db2.gz SOOJTMNABJBZFK-HZPDHXFCSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000123805070 454676865 /nfs/dbraw/zinc/67/68/65/454676865.db2.gz SOOJTMNABJBZFK-HZPDHXFCSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805070 454676868 /nfs/dbraw/zinc/67/68/68/454676868.db2.gz SOOJTMNABJBZFK-HZPDHXFCSA-N 2 2 331.504 3.337 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC[NH+]1C ZINC000123805070 454676869 /nfs/dbraw/zinc/67/68/69/454676869.db2.gz SOOJTMNABJBZFK-HZPDHXFCSA-N 2 2 331.504 3.337 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)n2)cc1 ZINC000081096368 454685584 /nfs/dbraw/zinc/68/55/84/454685584.db2.gz QNLHAHIGHATFHC-YJBOKZPZSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@H]3CC[N@H+](CC)C[C@@H]3C)n2)cc1 ZINC000081096368 454685589 /nfs/dbraw/zinc/68/55/89/454685589.db2.gz QNLHAHIGHATFHC-YJBOKZPZSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+](C)[C@H]3CC[NH+](CC)C[C@@H]3C)n2)cc1 ZINC000081096368 454685591 /nfs/dbraw/zinc/68/55/91/454685591.db2.gz QNLHAHIGHATFHC-YJBOKZPZSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+](C)[C@H]3CC[NH+](CC)C[C@@H]3C)n2)cc1 ZINC000081096368 454685595 /nfs/dbraw/zinc/68/55/95/454685595.db2.gz QNLHAHIGHATFHC-YJBOKZPZSA-N 2 2 342.487 3.461 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638817 454725327 /nfs/dbraw/zinc/72/53/27/454725327.db2.gz IPQPVPSHWTXGEQ-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638817 454725333 /nfs/dbraw/zinc/72/53/33/454725333.db2.gz IPQPVPSHWTXGEQ-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638817 454725335 /nfs/dbraw/zinc/72/53/35/454725335.db2.gz IPQPVPSHWTXGEQ-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC(F)F)[C@H](C)C1 ZINC000093638817 454725340 /nfs/dbraw/zinc/72/53/40/454725340.db2.gz IPQPVPSHWTXGEQ-CJNGLKHVSA-N 2 2 342.430 3.459 10 0 EGAELP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153119827 454761817 /nfs/dbraw/zinc/76/18/17/454761817.db2.gz PQHNKWCKNLWPQJ-YOEHRIQHSA-N 2 2 338.879 3.112 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643720 454783948 /nfs/dbraw/zinc/78/39/48/454783948.db2.gz MZDQHYQNNXORLK-PBHICJAKSA-N 2 2 346.450 3.346 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643720 454783952 /nfs/dbraw/zinc/78/39/52/454783952.db2.gz MZDQHYQNNXORLK-PBHICJAKSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643720 454783954 /nfs/dbraw/zinc/78/39/54/454783954.db2.gz MZDQHYQNNXORLK-PBHICJAKSA-N 2 2 346.450 3.346 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)[C@H](C)C1 ZINC000137643720 454783958 /nfs/dbraw/zinc/78/39/58/454783958.db2.gz MZDQHYQNNXORLK-PBHICJAKSA-N 2 2 346.450 3.346 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000108464600 454797705 /nfs/dbraw/zinc/79/77/05/454797705.db2.gz VZIMUWYGJRWEGM-IXDOHACOSA-N 2 2 346.425 3.278 10 0 EGAELP FC(F)n1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000108464600 454797708 /nfs/dbraw/zinc/79/77/08/454797708.db2.gz VZIMUWYGJRWEGM-IXDOHACOSA-N 2 2 346.425 3.278 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000162959984 454812171 /nfs/dbraw/zinc/81/21/71/454812171.db2.gz GHNNYPIAODQYLT-APWZRJJASA-N 2 2 341.455 3.305 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000162959984 454812173 /nfs/dbraw/zinc/81/21/73/454812173.db2.gz GHNNYPIAODQYLT-APWZRJJASA-N 2 2 341.455 3.305 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3noc4c3CCCC4)C2)[nH+]1 ZINC000108858394 454814767 /nfs/dbraw/zinc/81/47/67/454814767.db2.gz GCAAMZHAVFMNDQ-HNNXBMFYSA-N 2 2 326.444 3.191 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3noc4c3CCCC4)C2)[nH+]1 ZINC000108858394 454814776 /nfs/dbraw/zinc/81/47/76/454814776.db2.gz GCAAMZHAVFMNDQ-HNNXBMFYSA-N 2 2 326.444 3.191 10 0 EGAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000177043751 454814778 /nfs/dbraw/zinc/81/47/78/454814778.db2.gz BHWHVIQQUYJURI-KRWDZBQOSA-N 2 2 339.439 3.430 10 0 EGAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000177043751 454814780 /nfs/dbraw/zinc/81/47/80/454814780.db2.gz BHWHVIQQUYJURI-KRWDZBQOSA-N 2 2 339.439 3.430 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000163280429 454835509 /nfs/dbraw/zinc/83/55/09/454835509.db2.gz BMJRLOYJCOEBCA-NVXWUHKLSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000163280429 454835514 /nfs/dbraw/zinc/83/55/14/454835514.db2.gz BMJRLOYJCOEBCA-NVXWUHKLSA-N 2 2 338.879 3.254 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000163306882 454838522 /nfs/dbraw/zinc/83/85/22/454838522.db2.gz BTBDBLCCHLAHPC-RYUDHWBXSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000163306882 454838527 /nfs/dbraw/zinc/83/85/27/454838527.db2.gz BTBDBLCCHLAHPC-RYUDHWBXSA-N 2 2 347.322 3.272 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000163334914 454840318 /nfs/dbraw/zinc/84/03/18/454840318.db2.gz HJZJCYANPWKRBF-UKRRQHHQSA-N 2 2 326.481 3.309 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000163334914 454840322 /nfs/dbraw/zinc/84/03/22/454840322.db2.gz HJZJCYANPWKRBF-UKRRQHHQSA-N 2 2 326.481 3.309 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425527 454846828 /nfs/dbraw/zinc/84/68/28/454846828.db2.gz WFCBGJMPICCKRS-RDJZCZTQSA-N 2 2 342.430 3.440 10 0 EGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(OC(F)F)cc1 ZINC000163425527 454846831 /nfs/dbraw/zinc/84/68/31/454846831.db2.gz WFCBGJMPICCKRS-RDJZCZTQSA-N 2 2 342.430 3.440 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154552447 454906460 /nfs/dbraw/zinc/90/64/60/454906460.db2.gz DYEWRLMEDKXOAV-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154552447 454906462 /nfs/dbraw/zinc/90/64/62/454906462.db2.gz DYEWRLMEDKXOAV-SMDDNHRTSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129053184 455095832 /nfs/dbraw/zinc/09/58/32/455095832.db2.gz VIORZXQWIOUAGC-OXQOHEQNSA-N 2 2 346.434 3.328 10 0 EGAELP c1cn2c(cccc2C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000180031357 455119428 /nfs/dbraw/zinc/11/94/28/455119428.db2.gz UBSBFGKDVADYHS-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000180031357 455119432 /nfs/dbraw/zinc/11/94/32/455119432.db2.gz UBSBFGKDVADYHS-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn2c(cccc2CN2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000180031357 455119436 /nfs/dbraw/zinc/11/94/36/455119436.db2.gz UBSBFGKDVADYHS-GOSISDBHSA-N 2 2 326.488 3.422 10 0 EGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)cc2)c[nH+]1 ZINC000152457387 455122495 /nfs/dbraw/zinc/12/24/95/455122495.db2.gz SMHCORRRPADKKF-KRWDZBQOSA-N 2 2 348.454 3.178 10 0 EGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)cc2)c[nH+]1 ZINC000152457387 455122498 /nfs/dbraw/zinc/12/24/98/455122498.db2.gz SMHCORRRPADKKF-KRWDZBQOSA-N 2 2 348.454 3.178 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180121888 455135326 /nfs/dbraw/zinc/13/53/26/455135326.db2.gz AVEPBAJUDBBVEO-FQEVSTJZSA-N 2 2 335.455 3.350 10 0 EGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180121888 455135330 /nfs/dbraw/zinc/13/53/30/455135330.db2.gz AVEPBAJUDBBVEO-FQEVSTJZSA-N 2 2 335.455 3.350 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@@H]3CC[N@@H+](CC)C[C@H]3C)n2)cc1 ZINC000245435594 455298560 /nfs/dbraw/zinc/29/85/60/455298560.db2.gz QNLHAHIGHATFHC-CRAIPNDOSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[NH+](C)[C@@H]3CC[N@H+](CC)C[C@H]3C)n2)cc1 ZINC000245435594 455298568 /nfs/dbraw/zinc/29/85/68/455298568.db2.gz QNLHAHIGHATFHC-CRAIPNDOSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+](C)[C@@H]3CC[NH+](CC)C[C@H]3C)n2)cc1 ZINC000245435594 455298575 /nfs/dbraw/zinc/29/85/75/455298575.db2.gz QNLHAHIGHATFHC-CRAIPNDOSA-N 2 2 342.487 3.461 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+](C)[C@@H]3CC[NH+](CC)C[C@H]3C)n2)cc1 ZINC000245435594 455298578 /nfs/dbraw/zinc/29/85/78/455298578.db2.gz QNLHAHIGHATFHC-CRAIPNDOSA-N 2 2 342.487 3.461 10 0 EGAELP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245623323 455343442 /nfs/dbraw/zinc/34/34/42/455343442.db2.gz XJUKJFRVKWGJMV-QEORTHHSSA-N 2 2 328.859 3.487 10 0 EGAELP COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245623323 455343443 /nfs/dbraw/zinc/34/34/43/455343443.db2.gz XJUKJFRVKWGJMV-QEORTHHSSA-N 2 2 328.859 3.487 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701809 455359370 /nfs/dbraw/zinc/35/93/70/455359370.db2.gz WUDGACULFFEQFS-GOEBONIOSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701809 455359373 /nfs/dbraw/zinc/35/93/73/455359373.db2.gz WUDGACULFFEQFS-GOEBONIOSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701809 455359377 /nfs/dbraw/zinc/35/93/77/455359377.db2.gz WUDGACULFFEQFS-GOEBONIOSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000245701809 455359383 /nfs/dbraw/zinc/35/93/83/455359383.db2.gz WUDGACULFFEQFS-GOEBONIOSA-N 2 2 337.895 3.249 10 0 EGAELP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182089563 455433294 /nfs/dbraw/zinc/43/32/94/455433294.db2.gz NKMPAXFVBFLIBQ-KDOFPFPSSA-N 2 2 326.431 3.220 10 0 EGAELP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000266782814 455451887 /nfs/dbraw/zinc/45/18/87/455451887.db2.gz VHTOCNURBIHTJI-OAHLLOKOSA-N 2 2 339.361 3.342 10 0 EGAELP CC(C)c1cccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266803833 455454790 /nfs/dbraw/zinc/45/47/90/455454790.db2.gz ZLOONPDUPDJLGS-UHFFFAOYSA-N 2 2 326.444 3.351 10 0 EGAELP C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246288548 455464605 /nfs/dbraw/zinc/46/46/05/455464605.db2.gz OPPZPQDXVCLISV-AZUAARDMSA-N 2 2 327.472 3.415 10 0 EGAELP C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246288548 455464612 /nfs/dbraw/zinc/46/46/12/455464612.db2.gz OPPZPQDXVCLISV-AZUAARDMSA-N 2 2 327.472 3.415 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246441136 455490550 /nfs/dbraw/zinc/49/05/50/455490550.db2.gz DEBISDSHEVSZJN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246441136 455490555 /nfs/dbraw/zinc/49/05/55/455490555.db2.gz DEBISDSHEVSZJN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246441136 455490564 /nfs/dbraw/zinc/49/05/64/455490564.db2.gz DEBISDSHEVSZJN-FXAWDEMLSA-N 2 2 341.499 3.191 10 0 EGAELP CC[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1nccs1 ZINC000185116958 455505244 /nfs/dbraw/zinc/50/52/44/455505244.db2.gz JRTPWLDPVFYRLN-HUUCEWRRSA-N 2 2 344.484 3.211 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578458 455509700 /nfs/dbraw/zinc/50/97/00/455509700.db2.gz FXORXGFLTOYEQH-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578458 455509703 /nfs/dbraw/zinc/50/97/03/455509703.db2.gz FXORXGFLTOYEQH-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578458 455509707 /nfs/dbraw/zinc/50/97/07/455509707.db2.gz FXORXGFLTOYEQH-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000246578458 455509713 /nfs/dbraw/zinc/50/97/13/455509713.db2.gz FXORXGFLTOYEQH-KBXCAEBGSA-N 2 2 348.441 3.313 10 0 EGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000246924918 455536140 /nfs/dbraw/zinc/53/61/40/455536140.db2.gz GXHOGYLAJMXJKT-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000246924918 455536145 /nfs/dbraw/zinc/53/61/45/455536145.db2.gz GXHOGYLAJMXJKT-ZFWWWQNUSA-N 2 2 339.277 3.347 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589719 455548602 /nfs/dbraw/zinc/54/86/02/455548602.db2.gz STRLIGXVHOGXAD-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589719 455548605 /nfs/dbraw/zinc/54/86/05/455548605.db2.gz STRLIGXVHOGXAD-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589719 455548610 /nfs/dbraw/zinc/54/86/10/455548610.db2.gz STRLIGXVHOGXAD-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589719 455548614 /nfs/dbraw/zinc/54/86/14/455548614.db2.gz STRLIGXVHOGXAD-QTXGHNMQSA-N 2 2 349.469 3.269 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122958 455562925 /nfs/dbraw/zinc/56/29/25/455562925.db2.gz AMNIKKSRUVHDSA-HHXCZETCSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000247122958 455562927 /nfs/dbraw/zinc/56/29/27/455562927.db2.gz AMNIKKSRUVHDSA-HHXCZETCSA-N 3 2 327.516 3.254 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000247122958 455562935 /nfs/dbraw/zinc/56/29/35/455562935.db2.gz AMNIKKSRUVHDSA-HHXCZETCSA-N 3 2 327.516 3.254 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000192440955 455616877 /nfs/dbraw/zinc/61/68/77/455616877.db2.gz RMVLBXOOEHNVGV-MHJFOBGBSA-N 2 2 344.499 3.363 10 0 EGAELP COC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000192440955 455616882 /nfs/dbraw/zinc/61/68/82/455616882.db2.gz RMVLBXOOEHNVGV-MHJFOBGBSA-N 2 2 344.499 3.363 10 0 EGAELP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247594223 455629591 /nfs/dbraw/zinc/62/95/91/455629591.db2.gz MSEIZVSCYANEOV-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247594223 455629593 /nfs/dbraw/zinc/62/95/93/455629593.db2.gz MSEIZVSCYANEOV-WMLDXEAASA-N 2 2 346.862 3.448 10 0 EGAELP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271470075 455649757 /nfs/dbraw/zinc/64/97/57/455649757.db2.gz IIFHEKZOQHZGQB-MJGOQNOKSA-N 2 2 331.504 3.229 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434476 455663042 /nfs/dbraw/zinc/66/30/42/455663042.db2.gz MMKVYDHOGCQOHV-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ncn1 ZINC000292434476 455663045 /nfs/dbraw/zinc/66/30/45/455663045.db2.gz MMKVYDHOGCQOHV-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434476 455663047 /nfs/dbraw/zinc/66/30/47/455663047.db2.gz MMKVYDHOGCQOHV-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000292434476 455663051 /nfs/dbraw/zinc/66/30/51/455663051.db2.gz MMKVYDHOGCQOHV-PZJWPPBQSA-N 2 2 336.483 3.272 10 0 EGAELP CCC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccnc1 ZINC000185992028 455669837 /nfs/dbraw/zinc/66/98/37/455669837.db2.gz BRUUOSLUQFEGRN-IRXDYDNUSA-N 2 2 340.475 3.013 10 0 EGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000248178087 455694795 /nfs/dbraw/zinc/69/47/95/455694795.db2.gz VYYRENNSYRKYHC-DWRORGKVSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000248178087 455694797 /nfs/dbraw/zinc/69/47/97/455694797.db2.gz VYYRENNSYRKYHC-DWRORGKVSA-N 3 2 335.561 3.451 10 0 EGAELP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000248178087 455694801 /nfs/dbraw/zinc/69/48/01/455694801.db2.gz VYYRENNSYRKYHC-DWRORGKVSA-N 3 2 335.561 3.451 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268746468 455712971 /nfs/dbraw/zinc/71/29/71/455712971.db2.gz HUBNJVKMOBLGEZ-UWJYYQICSA-N 3 2 327.516 3.113 10 0 EGAELP Cc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC000606580666 460699493 /nfs/dbraw/zinc/69/94/93/460699493.db2.gz ZGVXTRGEOKAKHH-QGZVFWFLSA-N 2 2 337.427 3.067 10 0 EGAELP Fc1ccc(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000261603468 455910820 /nfs/dbraw/zinc/91/08/20/455910820.db2.gz CRRZSDCRUKXUIP-MRXNPFEDSA-N 2 2 348.853 3.413 10 0 EGAELP Fc1ccc(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000261603468 455910827 /nfs/dbraw/zinc/91/08/27/455910827.db2.gz CRRZSDCRUKXUIP-MRXNPFEDSA-N 2 2 348.853 3.413 10 0 EGAELP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cs1 ZINC000296338403 455913359 /nfs/dbraw/zinc/91/33/59/455913359.db2.gz IEQTYPKVQABURV-UHFFFAOYSA-N 2 2 346.496 3.057 10 0 EGAELP COc1cc(C)c(C[N@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000261927888 455972753 /nfs/dbraw/zinc/97/27/53/455972753.db2.gz CJBIHGYCRHWOFJ-UHFFFAOYSA-N 2 2 328.456 3.016 10 0 EGAELP COc1cc(C)c(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000261927888 455972757 /nfs/dbraw/zinc/97/27/57/455972757.db2.gz CJBIHGYCRHWOFJ-UHFFFAOYSA-N 2 2 328.456 3.016 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)[nH+]1 ZINC000195516281 455976120 /nfs/dbraw/zinc/97/61/20/455976120.db2.gz JAOABXYSWWBEPU-AWEZNQCLSA-N 2 2 329.448 3.005 10 0 EGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)[nH+]1 ZINC000195516281 455976122 /nfs/dbraw/zinc/97/61/22/455976122.db2.gz JAOABXYSWWBEPU-AWEZNQCLSA-N 2 2 329.448 3.005 10 0 EGAELP [NH3+]CCCN(c1cccc(F)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000273129597 456187457 /nfs/dbraw/zinc/18/74/57/456187457.db2.gz BIGMARIJACNPEY-UHFFFAOYSA-N 2 2 328.435 3.045 10 0 EGAELP C[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000271244761 456189732 /nfs/dbraw/zinc/18/97/32/456189732.db2.gz GTCMUBGVXKOSFN-KBMXLJTQSA-N 2 2 332.473 3.274 10 0 EGAELP C[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000271244761 456189744 /nfs/dbraw/zinc/18/97/44/456189744.db2.gz GTCMUBGVXKOSFN-KBMXLJTQSA-N 2 2 332.473 3.274 10 0 EGAELP C[NH2+]C1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000237150234 456239371 /nfs/dbraw/zinc/23/93/71/456239371.db2.gz GXLIFZJWNOUGBH-UHFFFAOYSA-N 2 2 345.830 3.351 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529317 456244289 /nfs/dbraw/zinc/24/42/89/456244289.db2.gz NWDGPNREZLKMJE-XLIONFOSSA-N 3 2 334.467 3.477 10 0 EGAELP CCc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000302048516 456275799 /nfs/dbraw/zinc/27/57/99/456275799.db2.gz MHFDVRVEVPIVIG-XJKSGUPXSA-N 2 2 346.500 3.283 10 0 EGAELP CCc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000302048516 456275802 /nfs/dbraw/zinc/27/58/02/456275802.db2.gz MHFDVRVEVPIVIG-XJKSGUPXSA-N 2 2 346.500 3.283 10 0 EGAELP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296464 456282602 /nfs/dbraw/zinc/28/26/02/456282602.db2.gz AUSPFAKEBDLIMI-XHDPSFHLSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1 ZINC000290296464 456282604 /nfs/dbraw/zinc/28/26/04/456282604.db2.gz AUSPFAKEBDLIMI-XHDPSFHLSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296464 456282606 /nfs/dbraw/zinc/28/26/06/456282606.db2.gz AUSPFAKEBDLIMI-XHDPSFHLSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000290296464 456282607 /nfs/dbraw/zinc/28/26/07/456282607.db2.gz AUSPFAKEBDLIMI-XHDPSFHLSA-N 2 2 329.257 3.360 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762684 456283603 /nfs/dbraw/zinc/28/36/03/456283603.db2.gz ISAZDUMRBJCRIL-MRXNPFEDSA-N 2 2 339.439 3.478 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762684 456283612 /nfs/dbraw/zinc/28/36/12/456283612.db2.gz ISAZDUMRBJCRIL-MRXNPFEDSA-N 2 2 339.439 3.478 10 0 EGAELP CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956904 456371923 /nfs/dbraw/zinc/37/19/23/456371923.db2.gz FWBNCTVDBIBQND-KGLIPLIRSA-N 2 2 329.448 3.105 10 0 EGAELP CCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281956904 456371925 /nfs/dbraw/zinc/37/19/25/456371925.db2.gz FWBNCTVDBIBQND-KGLIPLIRSA-N 2 2 329.448 3.105 10 0 EGAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994864 456384337 /nfs/dbraw/zinc/38/43/37/456384337.db2.gz IKXLSIIHVHSEOB-DZGCQCFKSA-N 2 2 341.459 3.420 10 0 EGAELP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281994864 456384347 /nfs/dbraw/zinc/38/43/47/456384347.db2.gz IKXLSIIHVHSEOB-DZGCQCFKSA-N 2 2 341.459 3.420 10 0 EGAELP C[N@@H+]1CCC[C@H](CNc2nc[nH+]c(N)c2Cl)[C@H]1c1cccs1 ZINC000302914015 456436333 /nfs/dbraw/zinc/43/63/33/456436333.db2.gz UXXYIDKNYRLPNQ-MFKMUULPSA-N 2 2 337.880 3.269 10 0 EGAELP C[N@H+]1CCC[C@H](CNc2nc[nH+]c(N)c2Cl)[C@H]1c1cccs1 ZINC000302914015 456436335 /nfs/dbraw/zinc/43/63/35/456436335.db2.gz UXXYIDKNYRLPNQ-MFKMUULPSA-N 2 2 337.880 3.269 10 0 EGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCn1cc[nH+]c1 ZINC000623851978 460743916 /nfs/dbraw/zinc/74/39/16/460743916.db2.gz MMSBFDXGYSICJJ-JTQLQIEISA-N 2 2 332.757 3.171 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054231 456511549 /nfs/dbraw/zinc/51/15/49/456511549.db2.gz CJVXXKGRESCLRC-RCBQFDQVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054231 456511555 /nfs/dbraw/zinc/51/15/55/456511555.db2.gz CJVXXKGRESCLRC-RCBQFDQVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054231 456511560 /nfs/dbraw/zinc/51/15/60/456511560.db2.gz CJVXXKGRESCLRC-RCBQFDQVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054231 456511566 /nfs/dbraw/zinc/51/15/66/456511566.db2.gz CJVXXKGRESCLRC-RCBQFDQVSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000291054242 456511628 /nfs/dbraw/zinc/51/16/28/456511628.db2.gz CJVXXKGRESCLRC-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000291054242 456511632 /nfs/dbraw/zinc/51/16/32/456511632.db2.gz CJVXXKGRESCLRC-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054242 456511641 /nfs/dbraw/zinc/51/16/41/456511641.db2.gz CJVXXKGRESCLRC-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000291054242 456511645 /nfs/dbraw/zinc/51/16/45/456511645.db2.gz CJVXXKGRESCLRC-WQVCFCJDSA-N 2 2 330.394 3.153 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337746926 456521481 /nfs/dbraw/zinc/52/14/81/456521481.db2.gz XIOWUFLTNFYGIX-MJGOQNOKSA-N 2 2 337.467 3.419 10 0 EGAELP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337746926 456521487 /nfs/dbraw/zinc/52/14/87/456521487.db2.gz XIOWUFLTNFYGIX-MJGOQNOKSA-N 2 2 337.467 3.419 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000340593611 456554577 /nfs/dbraw/zinc/55/45/77/456554577.db2.gz DKKUZQWDOZHZEE-UHFFFAOYSA-N 2 2 336.414 3.400 10 0 EGAELP CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648880149 462316394 /nfs/dbraw/zinc/31/63/94/462316394.db2.gz XIYINOPWMOITAA-INIZCTEOSA-N 2 2 345.491 3.094 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704399 456598468 /nfs/dbraw/zinc/59/84/68/456598468.db2.gz AJTPZHAMBIFRTE-HNAYVOBHSA-N 2 2 341.503 3.046 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704399 456598478 /nfs/dbraw/zinc/59/84/78/456598478.db2.gz AJTPZHAMBIFRTE-HNAYVOBHSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704399 456598485 /nfs/dbraw/zinc/59/84/85/456598485.db2.gz AJTPZHAMBIFRTE-HNAYVOBHSA-N 2 2 341.503 3.046 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000282704399 456598493 /nfs/dbraw/zinc/59/84/93/456598493.db2.gz AJTPZHAMBIFRTE-HNAYVOBHSA-N 2 2 341.503 3.046 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000337948345 456617203 /nfs/dbraw/zinc/61/72/03/456617203.db2.gz BYBWPLQMAIJTPY-CVEARBPZSA-N 2 2 339.439 3.429 10 0 EGAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000337948345 456617225 /nfs/dbraw/zinc/61/72/25/456617225.db2.gz BYBWPLQMAIJTPY-CVEARBPZSA-N 2 2 339.439 3.429 10 0 EGAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000338000610 456648053 /nfs/dbraw/zinc/64/80/53/456648053.db2.gz YRFFYKVKXIILEZ-UXHICEINSA-N 2 2 344.499 3.066 10 0 EGAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973460 456791779 /nfs/dbraw/zinc/79/17/79/456791779.db2.gz PVCFWKGKODHJQH-KURKYZTESA-N 2 2 349.906 3.076 10 0 EGAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973460 456791786 /nfs/dbraw/zinc/79/17/86/456791786.db2.gz PVCFWKGKODHJQH-KURKYZTESA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973460 456791791 /nfs/dbraw/zinc/79/17/91/456791791.db2.gz PVCFWKGKODHJQH-KURKYZTESA-N 2 2 349.906 3.076 10 0 EGAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340973460 456791795 /nfs/dbraw/zinc/79/17/95/456791795.db2.gz PVCFWKGKODHJQH-KURKYZTESA-N 2 2 349.906 3.076 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000353597918 456792311 /nfs/dbraw/zinc/79/23/11/456792311.db2.gz QYLNXUJDVOOZRV-WOJBJXKFSA-N 2 2 343.519 3.148 10 0 EGAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000353597914 456792380 /nfs/dbraw/zinc/79/23/80/456792380.db2.gz QYLNXUJDVOOZRV-UXHICEINSA-N 2 2 343.519 3.148 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353631273 456815057 /nfs/dbraw/zinc/81/50/57/456815057.db2.gz KSHKJYNFJWEKSJ-OTNPHJDUSA-N 3 2 342.531 3.069 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353631273 456815061 /nfs/dbraw/zinc/81/50/61/456815061.db2.gz KSHKJYNFJWEKSJ-OTNPHJDUSA-N 3 2 342.531 3.069 10 0 EGAELP Cc1nc2[nH]ccc2c(NCC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000348707189 456823095 /nfs/dbraw/zinc/82/30/95/456823095.db2.gz QZNQASNDSOKABE-UHFFFAOYSA-N 2 2 335.455 3.012 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042312 456837803 /nfs/dbraw/zinc/83/78/03/456837803.db2.gz APCNKSYOPDIVFP-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042312 456837805 /nfs/dbraw/zinc/83/78/05/456837805.db2.gz APCNKSYOPDIVFP-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042312 456837809 /nfs/dbraw/zinc/83/78/09/456837809.db2.gz APCNKSYOPDIVFP-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292042312 456837815 /nfs/dbraw/zinc/83/78/15/456837815.db2.gz APCNKSYOPDIVFP-KKSFZXQISA-N 2 2 337.467 3.194 10 0 EGAELP Cc1nc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000353672389 456845206 /nfs/dbraw/zinc/84/52/06/456845206.db2.gz WKBXEMHJDOKEPU-UHFFFAOYSA-N 2 2 348.450 3.139 10 0 EGAELP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)CC1 ZINC000349189605 456908323 /nfs/dbraw/zinc/90/83/23/456908323.db2.gz MCRGXABCVVCOEG-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)CC1 ZINC000349189605 456908328 /nfs/dbraw/zinc/90/83/28/456908328.db2.gz MCRGXABCVVCOEG-MRXNPFEDSA-N 3 2 330.501 3.098 10 0 EGAELP CC[N@H+](C[C@H]1CCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038157 456909895 /nfs/dbraw/zinc/90/98/95/456909895.db2.gz SURRNICSYJESPA-GOSISDBHSA-N 2 2 346.519 3.378 10 0 EGAELP CC[N@@H+](C[C@H]1CCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038157 456909899 /nfs/dbraw/zinc/90/98/99/456909899.db2.gz SURRNICSYJESPA-GOSISDBHSA-N 2 2 346.519 3.378 10 0 EGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000339144065 456961334 /nfs/dbraw/zinc/96/13/34/456961334.db2.gz HDNWIIUWFYYCFF-UHFFFAOYSA-N 2 2 335.810 3.205 10 0 EGAELP CO[C@@H](CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476247 456980474 /nfs/dbraw/zinc/98/04/74/456980474.db2.gz CRBVSAHLDKWRHZ-CVEARBPZSA-N 2 2 330.394 3.208 10 0 EGAELP CO[C@@H](CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000345476247 456980478 /nfs/dbraw/zinc/98/04/78/456980478.db2.gz CRBVSAHLDKWRHZ-CVEARBPZSA-N 2 2 330.394 3.208 10 0 EGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1cccc(Cl)c1 ZINC000360025437 457210675 /nfs/dbraw/zinc/21/06/75/457210675.db2.gz YLACUUTYSFYDLM-UHFFFAOYSA-N 2 2 332.835 3.271 10 0 EGAELP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1[nH+]ccn1C ZINC000347254037 457312511 /nfs/dbraw/zinc/31/25/11/457312511.db2.gz GEJMVOLOQVEVHJ-OAGGEKHMSA-N 2 2 328.460 3.202 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896449 457418393 /nfs/dbraw/zinc/41/83/93/457418393.db2.gz GZIXLTGHRLTQFD-RTBURBONSA-N 2 2 337.552 3.268 10 0 EGAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC000360896449 457418400 /nfs/dbraw/zinc/41/84/00/457418400.db2.gz GZIXLTGHRLTQFD-RTBURBONSA-N 2 2 337.552 3.268 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000374197432 457518016 /nfs/dbraw/zinc/51/80/16/457518016.db2.gz DBPBRSHIMOJZRQ-ZDUSSCGKSA-N 2 2 330.407 3.064 10 0 EGAELP CC[N@@H+]1CCC[C@H]1CN(Cc1c[nH+]cn1C(C)C)Cc1ccncc1 ZINC000425381500 457527889 /nfs/dbraw/zinc/52/78/89/457527889.db2.gz MYIHXJDQKNOBOB-IBGZPJMESA-N 2 2 341.503 3.346 10 0 EGAELP CC[N@H+]1CCC[C@H]1CN(Cc1c[nH+]cn1C(C)C)Cc1ccncc1 ZINC000425381500 457527895 /nfs/dbraw/zinc/52/78/95/457527895.db2.gz MYIHXJDQKNOBOB-IBGZPJMESA-N 2 2 341.503 3.346 10 0 EGAELP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364548550 457638314 /nfs/dbraw/zinc/63/83/14/457638314.db2.gz ZTVPEZZWOKVAIN-MRXNPFEDSA-N 2 2 348.535 3.218 10 0 EGAELP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364548550 457638319 /nfs/dbraw/zinc/63/83/19/457638319.db2.gz ZTVPEZZWOKVAIN-MRXNPFEDSA-N 2 2 348.535 3.218 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000433063665 457656738 /nfs/dbraw/zinc/65/67/38/457656738.db2.gz YPHUURVSMLXKBE-HKUYNNGSSA-N 2 2 328.500 3.182 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000433063665 457656742 /nfs/dbraw/zinc/65/67/42/457656742.db2.gz YPHUURVSMLXKBE-HKUYNNGSSA-N 2 2 328.500 3.182 10 0 EGAELP OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000361238582 457662198 /nfs/dbraw/zinc/66/21/98/457662198.db2.gz UXMQDDKIJLXOCO-LJQANCHMSA-N 2 2 339.464 3.070 10 0 EGAELP OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000361238582 457662201 /nfs/dbraw/zinc/66/22/01/457662201.db2.gz UXMQDDKIJLXOCO-LJQANCHMSA-N 2 2 339.464 3.070 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000361356830 457704855 /nfs/dbraw/zinc/70/48/55/457704855.db2.gz UICRJWHYNWVZCX-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000361356830 457704857 /nfs/dbraw/zinc/70/48/57/457704857.db2.gz UICRJWHYNWVZCX-UHFFFAOYSA-N 2 2 342.487 3.068 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000361439882 457732276 /nfs/dbraw/zinc/73/22/76/457732276.db2.gz KNKDAOXXNGREDS-HRAATJIYSA-N 2 2 344.499 3.236 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077700 457752817 /nfs/dbraw/zinc/75/28/17/457752817.db2.gz SNBLOKMSKGSSNU-MJGOQNOKSA-N 2 2 328.500 3.039 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433077700 457752824 /nfs/dbraw/zinc/75/28/24/457752824.db2.gz SNBLOKMSKGSSNU-MJGOQNOKSA-N 2 2 328.500 3.039 10 0 EGAELP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444615713 457918091 /nfs/dbraw/zinc/91/80/91/457918091.db2.gz AURGCFCQRFPOFD-RBUKOAKNSA-N 2 2 336.520 3.306 10 0 EGAELP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444615713 457918097 /nfs/dbraw/zinc/91/80/97/457918097.db2.gz AURGCFCQRFPOFD-RBUKOAKNSA-N 2 2 336.520 3.306 10 0 EGAELP Cn1c[nH+]cc1CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000361987154 457993302 /nfs/dbraw/zinc/99/33/02/457993302.db2.gz SILNPDBPCPIVDR-SFHVURJKSA-N 2 2 348.441 3.404 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103466 458010335 /nfs/dbraw/zinc/01/03/35/458010335.db2.gz VXTZWWUMKQIMDS-CABCVRRESA-N 2 2 340.471 3.397 10 0 EGAELP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103466 458010342 /nfs/dbraw/zinc/01/03/42/458010342.db2.gz VXTZWWUMKQIMDS-CABCVRRESA-N 2 2 340.471 3.397 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000445814510 458092718 /nfs/dbraw/zinc/09/27/18/458092718.db2.gz YQQAAOIXOHLJKZ-FQEVSTJZSA-N 2 2 338.499 3.239 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000445814510 458092726 /nfs/dbraw/zinc/09/27/26/458092726.db2.gz YQQAAOIXOHLJKZ-FQEVSTJZSA-N 2 2 338.499 3.239 10 0 EGAELP c1ncn(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000445814510 458092731 /nfs/dbraw/zinc/09/27/31/458092731.db2.gz YQQAAOIXOHLJKZ-FQEVSTJZSA-N 2 2 338.499 3.239 10 0 EGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372169892 458218223 /nfs/dbraw/zinc/21/82/23/458218223.db2.gz QADZFBQXNAQXFR-INIZCTEOSA-N 2 2 340.471 3.026 10 0 EGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169892 458218227 /nfs/dbraw/zinc/21/82/27/458218227.db2.gz QADZFBQXNAQXFR-INIZCTEOSA-N 2 2 340.471 3.026 10 0 EGAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959737 458241593 /nfs/dbraw/zinc/24/15/93/458241593.db2.gz GVCVPNYXCWFADB-HZPDHXFCSA-N 2 2 325.460 3.258 10 0 EGAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959737 458241608 /nfs/dbraw/zinc/24/16/08/458241608.db2.gz GVCVPNYXCWFADB-HZPDHXFCSA-N 2 2 325.460 3.258 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000447747086 458336692 /nfs/dbraw/zinc/33/66/92/458336692.db2.gz RHCMYQSURFQOCV-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1Cl ZINC000447747086 458336694 /nfs/dbraw/zinc/33/66/94/458336694.db2.gz RHCMYQSURFQOCV-SFHVURJKSA-N 2 2 335.923 3.250 10 0 EGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459383974 458352206 /nfs/dbraw/zinc/35/22/06/458352206.db2.gz HMYGLIHSDPQVGH-SFHVURJKSA-N 2 2 339.487 3.244 10 0 EGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794099 458391020 /nfs/dbraw/zinc/39/10/20/458391020.db2.gz LLSQJKSHSSBANK-OXQOHEQNSA-N 2 2 336.483 3.322 10 0 EGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000376794099 458391023 /nfs/dbraw/zinc/39/10/23/458391023.db2.gz LLSQJKSHSSBANK-OXQOHEQNSA-N 2 2 336.483 3.322 10 0 EGAELP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c[nH+]1 ZINC000437343133 458446634 /nfs/dbraw/zinc/44/66/34/458446634.db2.gz JWCFQCGYMIWYGF-MOPGFXCFSA-N 2 2 329.488 3.093 10 0 EGAELP Fc1ccc(-n2ccc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)n2)c(F)c1 ZINC000377139940 458473181 /nfs/dbraw/zinc/47/31/81/458473181.db2.gz KTNXJHJMQHJDBP-UHFFFAOYSA-N 2 2 343.381 3.253 10 0 EGAELP Oc1ccc(Br)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000377232868 458493423 /nfs/dbraw/zinc/49/34/23/458493423.db2.gz QGDHFKPGBOESLG-UHFFFAOYSA-N 2 2 336.233 3.257 10 0 EGAELP C[C@H]1CCC[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000460505148 458522228 /nfs/dbraw/zinc/52/22/28/458522228.db2.gz SPFCVJCPBBRYLV-OALUTQOASA-N 2 2 349.563 3.269 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1OCc1cccnc1)C2 ZINC000377786700 458526676 /nfs/dbraw/zinc/52/66/76/458526676.db2.gz VQYLSHMUMGMPDE-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1OCc1cccnc1)CC2 ZINC000377786700 458526683 /nfs/dbraw/zinc/52/66/83/458526683.db2.gz VQYLSHMUMGMPDE-QGZVFWFLSA-N 2 2 334.423 3.031 10 0 EGAELP CC(C)n1c[nH+]cc1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000424173935 458577600 /nfs/dbraw/zinc/57/76/00/458577600.db2.gz MMNIRJYFMYMKRI-HXUWFJFHSA-N 2 2 326.488 3.464 10 0 EGAELP CC(C)n1c[nH+]cc1CNC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000424173935 458577601 /nfs/dbraw/zinc/57/76/01/458577601.db2.gz MMNIRJYFMYMKRI-HXUWFJFHSA-N 2 2 326.488 3.464 10 0 EGAELP COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000424198665 458583060 /nfs/dbraw/zinc/58/30/60/458583060.db2.gz JIVNFUAQMXOISN-JTQLQIEISA-N 2 2 348.453 3.028 10 0 EGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378062476 458615040 /nfs/dbraw/zinc/61/50/40/458615040.db2.gz UIEFZVLVXZTDBI-OAHLLOKOSA-N 2 2 326.444 3.233 10 0 EGAELP CC1CC[NH+]([C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000494918866 458765410 /nfs/dbraw/zinc/76/54/10/458765410.db2.gz CIQITIXENREQBH-OALUTQOASA-N 2 2 343.515 3.106 10 0 EGAELP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000566741469 458993320 /nfs/dbraw/zinc/99/33/20/458993320.db2.gz ZBASGHYXRICORC-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP COc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000566741469 458993325 /nfs/dbraw/zinc/99/33/25/458993325.db2.gz ZBASGHYXRICORC-IBGZPJMESA-N 2 2 343.496 3.394 10 0 EGAELP Cc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126254 459088911 /nfs/dbraw/zinc/08/89/11/459088911.db2.gz BDSTWDAXVSHVLJ-LJQANCHMSA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126254 459088915 /nfs/dbraw/zinc/08/89/15/459088915.db2.gz BDSTWDAXVSHVLJ-LJQANCHMSA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126254 459088921 /nfs/dbraw/zinc/08/89/21/459088921.db2.gz BDSTWDAXVSHVLJ-LJQANCHMSA-N 2 2 328.456 3.045 10 0 EGAELP Cc1ccc(C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C2CC2)o1 ZINC000590126254 459088927 /nfs/dbraw/zinc/08/89/27/459088927.db2.gz BDSTWDAXVSHVLJ-LJQANCHMSA-N 2 2 328.456 3.045 10 0 EGAELP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812914 459097523 /nfs/dbraw/zinc/09/75/23/459097523.db2.gz AWNRUORZZJAXQN-SJLPKXTDSA-N 2 2 343.515 3.297 10 0 EGAELP Cc1[nH+]cn(-c2ccc(NC(=O)Cn3c[nH+]c4c3CCCC4)cc2)c1C ZINC000578185664 459158513 /nfs/dbraw/zinc/15/85/13/459158513.db2.gz PMVAVANWVAUCPO-UHFFFAOYSA-N 2 2 349.438 3.203 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)n1C ZINC000594944753 459187812 /nfs/dbraw/zinc/18/78/12/459187812.db2.gz BRSGOXFVKNGPQQ-ROUUACIJSA-N 2 2 341.455 3.388 10 0 EGAELP O=c1[nH]c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2cc(Cl)ccc12 ZINC000533347644 459223512 /nfs/dbraw/zinc/22/35/12/459223512.db2.gz HTJOFWGEBLTAIY-UHFFFAOYSA-N 2 2 343.818 3.092 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000481048329 459229673 /nfs/dbraw/zinc/22/96/73/459229673.db2.gz LPCSAANOQABQKD-ZENOOKHLSA-N 2 2 325.294 3.310 10 0 EGAELP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000481048329 459229678 /nfs/dbraw/zinc/22/96/78/459229678.db2.gz LPCSAANOQABQKD-ZENOOKHLSA-N 2 2 325.294 3.310 10 0 EGAELP CC(C)(C)OC(=O)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000595099310 459244769 /nfs/dbraw/zinc/24/47/69/459244769.db2.gz LANAUVWZOZYSIU-UHFFFAOYSA-N 2 2 345.487 3.152 10 0 EGAELP OCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582904119 459449754 /nfs/dbraw/zinc/44/97/54/459449754.db2.gz BSTOPWMXUSYQPL-MOPGFXCFSA-N 2 2 340.467 3.490 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591866752 459458028 /nfs/dbraw/zinc/45/80/28/459458028.db2.gz FBBAGTZUOFCVMO-WMZOPIPTSA-N 2 2 326.444 3.164 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000591866752 459458034 /nfs/dbraw/zinc/45/80/34/459458034.db2.gz FBBAGTZUOFCVMO-WMZOPIPTSA-N 2 2 326.444 3.164 10 0 EGAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000525992027 459526426 /nfs/dbraw/zinc/52/64/26/459526426.db2.gz YMMAGCPHWQRASA-KSZLIROESA-N 2 2 346.519 3.106 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302904 459534755 /nfs/dbraw/zinc/53/47/55/459534755.db2.gz PJHXYRYZEYHRMV-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302904 459534760 /nfs/dbraw/zinc/53/47/60/459534760.db2.gz PJHXYRYZEYHRMV-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302904 459534765 /nfs/dbraw/zinc/53/47/65/459534765.db2.gz PJHXYRYZEYHRMV-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302904 459534772 /nfs/dbraw/zinc/53/47/72/459534772.db2.gz PJHXYRYZEYHRMV-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC(C)(C)CC[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000527074999 459586662 /nfs/dbraw/zinc/58/66/62/459586662.db2.gz SIDRLTNMQLHETM-UHFFFAOYSA-N 2 2 340.515 3.485 10 0 EGAELP Cc1c[nH+]c(C)nc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573267073 459651987 /nfs/dbraw/zinc/65/19/87/459651987.db2.gz YZTQBCRKNJPINW-UHFFFAOYSA-N 2 2 328.382 3.311 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)nc1C ZINC000543542185 459666565 /nfs/dbraw/zinc/66/65/65/459666565.db2.gz IMHVEQNZMCKJFF-KGLIPLIRSA-N 2 2 339.505 3.153 10 0 EGAELP CCOC(=O)c1sc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)nc1C ZINC000543542185 459666572 /nfs/dbraw/zinc/66/65/72/459666572.db2.gz IMHVEQNZMCKJFF-KGLIPLIRSA-N 2 2 339.505 3.153 10 0 EGAELP Fc1ccc2c(c1Br)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000527626914 459676313 /nfs/dbraw/zinc/67/63/13/459676313.db2.gz LJMRTQUJLAPGQS-UHFFFAOYSA-N 2 2 338.224 3.233 10 0 EGAELP Fc1ccc2c(c1Br)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000527626914 459676319 /nfs/dbraw/zinc/67/63/19/459676319.db2.gz LJMRTQUJLAPGQS-UHFFFAOYSA-N 2 2 338.224 3.233 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@H+]1C ZINC000527669794 459691852 /nfs/dbraw/zinc/69/18/52/459691852.db2.gz ZCJMTXHDQHFPCB-GXSJLCMTSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669794 459691850 /nfs/dbraw/zinc/69/18/50/459691850.db2.gz ZCJMTXHDQHFPCB-GXSJLCMTSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669801 459692341 /nfs/dbraw/zinc/69/23/41/459692341.db2.gz ZCJMTXHDQHFPCB-ONGXEEELSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CC[N@H+]1C ZINC000527669801 459692348 /nfs/dbraw/zinc/69/23/48/459692348.db2.gz ZCJMTXHDQHFPCB-ONGXEEELSA-N 2 2 333.220 3.300 10 0 EGAELP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)COc2ccccc2O1 ZINC000527738559 459720154 /nfs/dbraw/zinc/72/01/54/459720154.db2.gz QQMYFJRRJQHERY-SFHVURJKSA-N 2 2 341.436 3.254 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)ccc1-n1cncn1 ZINC000527751104 459725521 /nfs/dbraw/zinc/72/55/21/459725521.db2.gz HACFLDFARLEKQV-LJQANCHMSA-N 2 2 339.487 3.072 10 0 EGAELP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)ccc1-n1cncn1 ZINC000527751104 459725526 /nfs/dbraw/zinc/72/55/26/459725526.db2.gz HACFLDFARLEKQV-LJQANCHMSA-N 2 2 339.487 3.072 10 0 EGAELP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Br)[C@H]1c1ccccc1 ZINC000501968373 459753524 /nfs/dbraw/zinc/75/35/24/459753524.db2.gz BNJKQPXGYJJGIT-HZPDHXFCSA-N 2 2 332.245 3.123 10 0 EGAELP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000574156988 459785866 /nfs/dbraw/zinc/78/58/66/459785866.db2.gz NQGQDOQBORWDKY-RDJZCZTQSA-N 2 2 339.487 3.215 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008526 459795051 /nfs/dbraw/zinc/79/50/51/459795051.db2.gz FKBSMTPVYJYVDG-XLIONFOSSA-N 3 2 345.531 3.295 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008526 459795058 /nfs/dbraw/zinc/79/50/58/459795058.db2.gz FKBSMTPVYJYVDG-XLIONFOSSA-N 3 2 345.531 3.295 10 0 EGAELP CC(C)OC[C@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000566118180 459808337 /nfs/dbraw/zinc/80/83/37/459808337.db2.gz XPJJHKJZDCDYEF-PKOBYXMFSA-N 2 2 334.504 3.026 10 0 EGAELP COC(=O)[C@@H](C)C[N@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000566155388 459815724 /nfs/dbraw/zinc/81/57/24/459815724.db2.gz CVXZVUSITZTAHU-KRWDZBQOSA-N 2 2 326.440 3.244 10 0 EGAELP COC(=O)[C@@H](C)C[N@@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000566155388 459815725 /nfs/dbraw/zinc/81/57/25/459815725.db2.gz CVXZVUSITZTAHU-KRWDZBQOSA-N 2 2 326.440 3.244 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000597158389 459855790 /nfs/dbraw/zinc/85/57/90/459855790.db2.gz CGMNLVNMAAQYJM-IAGOWNOFSA-N 2 2 336.863 3.233 10 0 EGAELP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000597158389 459855796 /nfs/dbraw/zinc/85/57/96/459855796.db2.gz CGMNLVNMAAQYJM-IAGOWNOFSA-N 2 2 336.863 3.233 10 0 EGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000545864591 459862578 /nfs/dbraw/zinc/86/25/78/459862578.db2.gz CIJMLSBBCACRKZ-OAHLLOKOSA-N 2 2 335.879 3.299 10 0 EGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000545864591 459862584 /nfs/dbraw/zinc/86/25/84/459862584.db2.gz CIJMLSBBCACRKZ-OAHLLOKOSA-N 2 2 335.879 3.299 10 0 EGAELP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1F ZINC000593665849 459945528 /nfs/dbraw/zinc/94/55/28/459945528.db2.gz LJPBTRSBQUEEOL-SFHVURJKSA-N 2 2 336.451 3.284 10 0 EGAELP C[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593692267 459953227 /nfs/dbraw/zinc/95/32/27/459953227.db2.gz WYDHCBWUBQSNAU-ROUUACIJSA-N 2 2 330.472 3.241 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718617 460024614 /nfs/dbraw/zinc/02/46/14/460024614.db2.gz NYKYAAJIBQGWQV-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000621718617 460024623 /nfs/dbraw/zinc/02/46/23/460024623.db2.gz NYKYAAJIBQGWQV-HXUWFJFHSA-N 2 2 340.515 3.290 10 0 EGAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729075 460033191 /nfs/dbraw/zinc/03/31/91/460033191.db2.gz HZBUSGXDOUECEO-NRFANRHFSA-N 2 2 338.499 3.044 10 0 EGAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729075 460033197 /nfs/dbraw/zinc/03/31/97/460033197.db2.gz HZBUSGXDOUECEO-NRFANRHFSA-N 2 2 338.499 3.044 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729075 460033207 /nfs/dbraw/zinc/03/32/07/460033207.db2.gz HZBUSGXDOUECEO-NRFANRHFSA-N 2 2 338.499 3.044 10 0 EGAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccnn3CCc3ccccc3)C2)C1 ZINC000621729075 460033214 /nfs/dbraw/zinc/03/32/14/460033214.db2.gz HZBUSGXDOUECEO-NRFANRHFSA-N 2 2 338.499 3.044 10 0 EGAELP CCN1CC[NH+](C[C@@H](C)CNc2[nH+]ccc3c(C)cccc32)CC1 ZINC000576033026 460055692 /nfs/dbraw/zinc/05/56/92/460055692.db2.gz HJDACPZHBJFUQN-INIZCTEOSA-N 2 2 326.488 3.229 10 0 EGAELP CC[NH+]1CCN(C[C@@H](C)CNc2[nH+]ccc3c(C)cccc32)CC1 ZINC000576033026 460055700 /nfs/dbraw/zinc/05/57/00/460055700.db2.gz HJDACPZHBJFUQN-INIZCTEOSA-N 2 2 326.488 3.229 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784470 460263430 /nfs/dbraw/zinc/26/34/30/460263430.db2.gz AARQFADXTFWJFI-PZJWPPBQSA-N 2 2 339.483 3.005 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784470 460263435 /nfs/dbraw/zinc/26/34/35/460263435.db2.gz AARQFADXTFWJFI-PZJWPPBQSA-N 2 2 339.483 3.005 10 0 EGAELP CC1([NH+]2CCOCC2)CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000628452708 460417167 /nfs/dbraw/zinc/41/71/67/460417167.db2.gz KSZNBFDPIZFTFP-UHFFFAOYSA-N 2 2 346.515 3.422 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000619771210 460439383 /nfs/dbraw/zinc/43/93/83/460439383.db2.gz VZEMNUNBBGQLFD-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000619771210 460439392 /nfs/dbraw/zinc/43/93/92/460439392.db2.gz VZEMNUNBBGQLFD-LJQANCHMSA-N 2 2 340.467 3.458 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OCC(F)(F)F ZINC000623361190 460508767 /nfs/dbraw/zinc/50/87/67/460508767.db2.gz QRIOIBOWISRFNQ-KBPBESRZSA-N 2 2 346.368 3.483 10 0 EGAELP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OCC(F)(F)F ZINC000623361190 460508773 /nfs/dbraw/zinc/50/87/73/460508773.db2.gz QRIOIBOWISRFNQ-KBPBESRZSA-N 2 2 346.368 3.483 10 0 EGAELP Cc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000623428074 460543687 /nfs/dbraw/zinc/54/36/87/460543687.db2.gz ZHKRYJSMCDRTFH-GOSISDBHSA-N 2 2 339.483 3.380 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629416723 460751707 /nfs/dbraw/zinc/75/17/07/460751707.db2.gz UYMWELYVCDOWCG-GWCFXTLKSA-N 2 2 329.307 3.401 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000629547096 460804236 /nfs/dbraw/zinc/80/42/36/460804236.db2.gz GFKZIOPGSMQSQQ-ZLKJLUDKSA-N 2 2 325.250 3.003 10 0 EGAELP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000601505342 460820538 /nfs/dbraw/zinc/82/05/38/460820538.db2.gz AHEJUBDFGXTSBE-UHFFFAOYSA-N 2 2 339.487 3.404 10 0 EGAELP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000601505342 460820544 /nfs/dbraw/zinc/82/05/44/460820544.db2.gz AHEJUBDFGXTSBE-UHFFFAOYSA-N 2 2 339.487 3.404 10 0 EGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000629655508 460848863 /nfs/dbraw/zinc/84/88/63/460848863.db2.gz YIQSGQIXQVYPDF-ZWKOTPCHSA-N 2 2 332.879 3.373 10 0 EGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c(-c2ccccc2)cc1OC ZINC000629673084 460861299 /nfs/dbraw/zinc/86/12/99/460861299.db2.gz VVDNDNGNUMRQAL-KBXCAEBGSA-N 2 2 326.440 3.211 10 0 EGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189098 460901759 /nfs/dbraw/zinc/90/17/59/460901759.db2.gz YKLZUAINOXJFHB-ICSRJNTNSA-N 2 2 334.479 3.380 10 0 EGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189098 460901761 /nfs/dbraw/zinc/90/17/61/460901761.db2.gz YKLZUAINOXJFHB-ICSRJNTNSA-N 2 2 334.479 3.380 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1 ZINC000608069627 460975855 /nfs/dbraw/zinc/97/58/55/460975855.db2.gz DGYPVUOFGITVNN-SFHVURJKSA-N 2 2 349.434 3.265 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621374225 461012837 /nfs/dbraw/zinc/01/28/37/461012837.db2.gz WUANLFKYPIBPTF-AEFFLSMTSA-N 2 2 329.488 3.465 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621374225 461012845 /nfs/dbraw/zinc/01/28/45/461012845.db2.gz WUANLFKYPIBPTF-AEFFLSMTSA-N 2 2 329.488 3.465 10 0 EGAELP C[NH+](C)C1CCN(c2ccc(NC[C@@]3(C)CCCS3)[nH+]c2)CC1 ZINC000628229387 461054396 /nfs/dbraw/zinc/05/43/96/461054396.db2.gz UAIFRYQRNBMSSR-GOSISDBHSA-N 2 2 334.533 3.310 10 0 EGAELP Cc1ncc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000628238033 461058453 /nfs/dbraw/zinc/05/84/53/461058453.db2.gz IPGDZMSZZHDFCZ-UHFFFAOYSA-N 2 2 349.232 3.034 10 0 EGAELP Cc1nc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(C)c(C)[nH+]1 ZINC000624704160 461096216 /nfs/dbraw/zinc/09/62/16/461096216.db2.gz PTUPOAPSFHOGFE-UHFFFAOYSA-N 2 2 335.455 3.205 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662235283 461133909 /nfs/dbraw/zinc/13/39/09/461133909.db2.gz JTPRKBYJFASQOP-BBRMVZONSA-N 2 2 339.361 3.414 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000662235283 461133916 /nfs/dbraw/zinc/13/39/16/461133916.db2.gz JTPRKBYJFASQOP-BBRMVZONSA-N 2 2 339.361 3.414 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353361 461146996 /nfs/dbraw/zinc/14/69/96/461146996.db2.gz BLVBQNHGLTTWHJ-YJBOKZPZSA-N 2 2 331.504 3.199 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353361 461147003 /nfs/dbraw/zinc/14/70/03/461147003.db2.gz BLVBQNHGLTTWHJ-YJBOKZPZSA-N 2 2 331.504 3.199 10 0 EGAELP CCO[C@@H]1C[N@H+](Cc2csc(-c3ccc(CC)cc3)n2)C[C@H]1C[NH3+] ZINC000652356979 461152918 /nfs/dbraw/zinc/15/29/18/461152918.db2.gz UZESAXKSBLZNQF-SJLPKXTDSA-N 2 2 345.512 3.168 10 0 EGAELP CCO[C@@H]1C[N@@H+](Cc2csc(-c3ccc(CC)cc3)n2)C[C@H]1C[NH3+] ZINC000652356979 461152930 /nfs/dbraw/zinc/15/29/30/461152930.db2.gz UZESAXKSBLZNQF-SJLPKXTDSA-N 2 2 345.512 3.168 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000662326444 461192524 /nfs/dbraw/zinc/19/25/24/461192524.db2.gz ZXALMCYWDXMQNX-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000662326444 461192531 /nfs/dbraw/zinc/19/25/31/461192531.db2.gz ZXALMCYWDXMQNX-KRWDZBQOSA-N 2 2 345.512 3.353 10 0 EGAELP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655685507 461361295 /nfs/dbraw/zinc/36/12/95/461361295.db2.gz GGZDPDLKDMKOTK-QZTJIDSGSA-N 2 2 333.545 3.072 10 0 EGAELP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccncc2)cc1 ZINC000655700553 461372643 /nfs/dbraw/zinc/37/26/43/461372643.db2.gz MQNRSGYVDXKPCU-NHCUHLMSSA-N 2 2 337.467 3.014 10 0 EGAELP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000665975099 461384914 /nfs/dbraw/zinc/38/49/14/461384914.db2.gz DPMOKPIJGKBTIX-UHFFFAOYSA-N 2 2 343.475 3.329 10 0 EGAELP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000665975099 461384918 /nfs/dbraw/zinc/38/49/18/461384918.db2.gz DPMOKPIJGKBTIX-UHFFFAOYSA-N 2 2 343.475 3.329 10 0 EGAELP C[C@@H](CC[NH2+]Cc1cc2n(n1)CCCC2)[N@H+](C)Cc1ccccc1 ZINC000655741961 461408135 /nfs/dbraw/zinc/40/81/35/461408135.db2.gz CKBGLDDIUWQFHN-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP C[C@@H](CC[NH2+]Cc1cc2n(n1)CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000655741961 461408139 /nfs/dbraw/zinc/40/81/39/461408139.db2.gz CKBGLDDIUWQFHN-KRWDZBQOSA-N 2 2 326.488 3.220 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000655743309 461408945 /nfs/dbraw/zinc/40/89/45/461408945.db2.gz FWXTYHVTAJBYQW-HKUYNNGSSA-N 2 2 338.499 3.362 10 0 EGAELP C[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000655743309 461408949 /nfs/dbraw/zinc/40/89/49/461408949.db2.gz FWXTYHVTAJBYQW-HKUYNNGSSA-N 2 2 338.499 3.362 10 0 EGAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H]1c1cccs1 ZINC000655743426 461409823 /nfs/dbraw/zinc/40/98/23/461409823.db2.gz IFKMTWRTMGUGJS-BEFAXECRSA-N 2 2 344.528 3.454 10 0 EGAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)[C@H]1c1cccs1 ZINC000655743426 461409833 /nfs/dbraw/zinc/40/98/33/461409833.db2.gz IFKMTWRTMGUGJS-BEFAXECRSA-N 2 2 344.528 3.454 10 0 EGAELP C[C@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CS1 ZINC000655743857 461410690 /nfs/dbraw/zinc/41/06/90/461410690.db2.gz KHOXNBWBFISXDO-GJZGRUSLSA-N 2 2 334.533 3.308 10 0 EGAELP Cc1nc2ccc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2s1 ZINC000668785763 461433519 /nfs/dbraw/zinc/43/35/19/461433519.db2.gz WXMWWFCLAOLFMW-INIZCTEOSA-N 2 2 333.501 3.147 10 0 EGAELP Cc1nc2ccc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2s1 ZINC000668785763 461433527 /nfs/dbraw/zinc/43/35/27/461433527.db2.gz WXMWWFCLAOLFMW-INIZCTEOSA-N 2 2 333.501 3.147 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000642080406 461440172 /nfs/dbraw/zinc/44/01/72/461440172.db2.gz UDYYKLFLKPIQSF-NSHDSACASA-N 2 2 325.391 3.146 10 0 EGAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c21 ZINC000642080406 461440179 /nfs/dbraw/zinc/44/01/79/461440179.db2.gz UDYYKLFLKPIQSF-NSHDSACASA-N 2 2 325.391 3.146 10 0 EGAELP CC(C)(C)C(F)(F)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000663234552 461521809 /nfs/dbraw/zinc/52/18/09/461521809.db2.gz TZAMLRYDWGQYPM-UHFFFAOYSA-N 2 2 332.358 3.304 10 0 EGAELP COc1cncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000631084455 461534814 /nfs/dbraw/zinc/53/48/14/461534814.db2.gz NRLMCHKKWBNYGC-GOSISDBHSA-N 2 2 336.439 3.206 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000647171293 461540005 /nfs/dbraw/zinc/54/00/05/461540005.db2.gz DZMOJNOZZWVVTK-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000647171293 461540013 /nfs/dbraw/zinc/54/00/13/461540013.db2.gz DZMOJNOZZWVVTK-MRXNPFEDSA-N 2 2 340.471 3.007 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209649 461565126 /nfs/dbraw/zinc/56/51/26/461565126.db2.gz SYXABCOZPKSPSO-KDXIVRHGSA-N 2 2 336.479 3.422 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC000647209649 461565131 /nfs/dbraw/zinc/56/51/31/461565131.db2.gz SYXABCOZPKSPSO-KDXIVRHGSA-N 2 2 336.479 3.422 10 0 EGAELP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000660094519 461578908 /nfs/dbraw/zinc/57/89/08/461578908.db2.gz JWJKFWGAFNQCRY-QGZVFWFLSA-N 2 2 342.468 3.092 10 0 EGAELP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(F)c1OC(F)F)CC2 ZINC000660167344 461616781 /nfs/dbraw/zinc/61/67/81/461616781.db2.gz PWJDJRXOVXCAGW-UHFFFAOYSA-N 2 2 328.378 3.487 10 0 EGAELP C[N@H+]1CCCC12CC[NH+](Cc1cccc(F)c1OC(F)F)CC2 ZINC000660167344 461616787 /nfs/dbraw/zinc/61/67/87/461616787.db2.gz PWJDJRXOVXCAGW-UHFFFAOYSA-N 2 2 328.378 3.487 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000656141600 461619778 /nfs/dbraw/zinc/61/97/78/461619778.db2.gz XCMVBXORFHKJEO-WMLDXEAASA-N 2 2 326.444 3.116 10 0 EGAELP COc1c(C)[nH+]cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000656141600 461619790 /nfs/dbraw/zinc/61/97/90/461619790.db2.gz XCMVBXORFHKJEO-WMLDXEAASA-N 2 2 326.444 3.116 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656252480 461674432 /nfs/dbraw/zinc/67/44/32/461674432.db2.gz BFVVOFDEYNVFLM-OXJNMPFZSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656252480 461674437 /nfs/dbraw/zinc/67/44/37/461674437.db2.gz BFVVOFDEYNVFLM-OXJNMPFZSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656252480 461674446 /nfs/dbraw/zinc/67/44/46/461674446.db2.gz BFVVOFDEYNVFLM-OXJNMPFZSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656252480 461674453 /nfs/dbraw/zinc/67/44/53/461674453.db2.gz BFVVOFDEYNVFLM-OXJNMPFZSA-N 2 2 326.488 3.404 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000663588991 461714742 /nfs/dbraw/zinc/71/47/42/461714742.db2.gz QIJGLFKXVAPRNB-OAHLLOKOSA-N 2 2 347.409 3.237 10 0 EGAELP Cc1cc(CO)cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000663588991 461714748 /nfs/dbraw/zinc/71/47/48/461714748.db2.gz QIJGLFKXVAPRNB-OAHLLOKOSA-N 2 2 347.409 3.237 10 0 EGAELP Cc1nn2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480701 461728736 /nfs/dbraw/zinc/72/87/36/461728736.db2.gz XRXWTINEZDPMHE-HUUCEWRRSA-N 2 2 347.532 3.187 10 0 EGAELP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c(C(C)C)nc2s1 ZINC000647480701 461728745 /nfs/dbraw/zinc/72/87/45/461728745.db2.gz XRXWTINEZDPMHE-HUUCEWRRSA-N 2 2 347.532 3.187 10 0 EGAELP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663658557 461739697 /nfs/dbraw/zinc/73/96/97/461739697.db2.gz MWXMRUPGTZOVBD-GXFFZTMASA-N 2 2 341.297 3.022 10 0 EGAELP CC[N@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663658557 461739705 /nfs/dbraw/zinc/73/97/05/461739705.db2.gz MWXMRUPGTZOVBD-GXFFZTMASA-N 2 2 341.297 3.022 10 0 EGAELP Brc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643506875 461748722 /nfs/dbraw/zinc/74/87/22/461748722.db2.gz LBEMWYCEMYAZQJ-AWEZNQCLSA-N 2 2 325.250 3.004 10 0 EGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548984 461761497 /nfs/dbraw/zinc/76/14/97/461761497.db2.gz YSINNNXLADUNLA-NQIIRXRSSA-N 3 2 341.543 3.346 10 0 EGAELP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553489 461764724 /nfs/dbraw/zinc/76/47/24/461764724.db2.gz BFUSQJMYNOWNEL-HNNXBMFYSA-N 2 2 328.378 3.392 10 0 EGAELP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553627 461765287 /nfs/dbraw/zinc/76/52/87/461765287.db2.gz FNKGBURABZSUFC-DVOMOZLQSA-N 2 2 326.843 3.241 10 0 EGAELP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[NH2+]1 ZINC000647553627 461765292 /nfs/dbraw/zinc/76/52/92/461765292.db2.gz FNKGBURABZSUFC-DVOMOZLQSA-N 2 2 326.843 3.241 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3noc4c3CCCC4)C2)n2c1CCCC2 ZINC000669694789 461770039 /nfs/dbraw/zinc/77/00/39/461770039.db2.gz WDCNJTNPLBECBP-OAHLLOKOSA-N 2 2 340.471 3.466 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3noc4c3CCCC4)C2)n2c1CCCC2 ZINC000669694789 461770042 /nfs/dbraw/zinc/77/00/42/461770042.db2.gz WDCNJTNPLBECBP-OAHLLOKOSA-N 2 2 340.471 3.466 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702304 461849429 /nfs/dbraw/zinc/84/94/29/461849429.db2.gz OIYMMBQXJWULSE-IAGOWNOFSA-N 2 2 334.504 3.012 10 0 EGAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702304 461849437 /nfs/dbraw/zinc/84/94/37/461849437.db2.gz OIYMMBQXJWULSE-IAGOWNOFSA-N 2 2 334.504 3.012 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899355 461874119 /nfs/dbraw/zinc/87/41/19/461874119.db2.gz HHWYGLPNJVKHSZ-JKIFEVAISA-N 2 2 335.879 3.131 10 0 EGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899355 461874124 /nfs/dbraw/zinc/87/41/24/461874124.db2.gz HHWYGLPNJVKHSZ-JKIFEVAISA-N 2 2 335.879 3.131 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647901770 461876917 /nfs/dbraw/zinc/87/69/17/461876917.db2.gz VGLNWUZZSHPLHR-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647901770 461876922 /nfs/dbraw/zinc/87/69/22/461876922.db2.gz VGLNWUZZSHPLHR-SCTDSRPQSA-N 2 2 329.488 3.094 10 0 EGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900423 461877487 /nfs/dbraw/zinc/87/74/87/461877487.db2.gz AYBTYIGVTKUKNO-ZWKOTPCHSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647900423 461877494 /nfs/dbraw/zinc/87/74/94/461877494.db2.gz AYBTYIGVTKUKNO-ZWKOTPCHSA-N 2 2 340.471 3.263 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902813 461878144 /nfs/dbraw/zinc/87/81/44/461878144.db2.gz CGTYSADFXSYRFE-RYQLBKOJSA-N 2 2 329.488 3.040 10 0 EGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902813 461878149 /nfs/dbraw/zinc/87/81/49/461878149.db2.gz CGTYSADFXSYRFE-RYQLBKOJSA-N 2 2 329.488 3.040 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647903735 461878338 /nfs/dbraw/zinc/87/83/38/461878338.db2.gz OXISHYIZNNUFNR-NEPJUHHUSA-N 2 2 333.423 3.434 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903677 461878267 /nfs/dbraw/zinc/87/82/67/461878267.db2.gz OFGCOXTZFMXYPZ-CRAIPNDOSA-N 2 2 342.512 3.273 10 0 EGAELP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903677 461878270 /nfs/dbraw/zinc/87/82/70/461878270.db2.gz OFGCOXTZFMXYPZ-CRAIPNDOSA-N 2 2 342.512 3.273 10 0 EGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647903735 461878333 /nfs/dbraw/zinc/87/83/33/461878333.db2.gz OXISHYIZNNUFNR-NEPJUHHUSA-N 2 2 333.423 3.434 10 0 EGAELP Cc1nc2[nH]ccc2c(N2CCC3(CCC([NH+](C)C)CC3)CC2)[nH+]1 ZINC000663946020 461883655 /nfs/dbraw/zinc/88/36/55/461883655.db2.gz QAFYWCODNFATJV-UHFFFAOYSA-N 2 2 327.476 3.357 10 0 EGAELP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000644569388 461989794 /nfs/dbraw/zinc/98/97/94/461989794.db2.gz MYTNPRYHPIEPHB-ROUUACIJSA-N 2 2 334.504 3.014 10 0 EGAELP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000644569386 461989994 /nfs/dbraw/zinc/98/99/94/461989994.db2.gz MYTNPRYHPIEPHB-MSOLQXFVSA-N 2 2 334.504 3.014 10 0 EGAELP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)CC1 ZINC000657349604 462064332 /nfs/dbraw/zinc/06/43/32/462064332.db2.gz SMYRKVHSYZKYEG-UHFFFAOYSA-N 2 2 338.499 3.351 10 0 EGAELP Fc1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1OC1CC1 ZINC000657360290 462069782 /nfs/dbraw/zinc/06/97/82/462069782.db2.gz AWSMHMPIHWYTMD-SFHVURJKSA-N 2 2 348.462 3.100 10 0 EGAELP Cn1ncc(C2CCC2)c1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000657368532 462076381 /nfs/dbraw/zinc/07/63/81/462076381.db2.gz YFVOKRNVLOTWAH-UHFFFAOYSA-N 2 2 337.471 3.297 10 0 EGAELP C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657430054 462118313 /nfs/dbraw/zinc/11/83/13/462118313.db2.gz LLRJZUISXDNTRJ-SJLPKXTDSA-N 2 2 339.487 3.003 10 0 EGAELP C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657430054 462118320 /nfs/dbraw/zinc/11/83/20/462118320.db2.gz LLRJZUISXDNTRJ-SJLPKXTDSA-N 2 2 339.487 3.003 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549743 462138207 /nfs/dbraw/zinc/13/82/07/462138207.db2.gz VJNJFEGTUZGDCF-LPHOPBHVSA-N 2 2 326.488 3.386 10 0 EGAELP CCN(Cc1c[nH+]c(C)n1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549743 462138211 /nfs/dbraw/zinc/13/82/11/462138211.db2.gz VJNJFEGTUZGDCF-LPHOPBHVSA-N 2 2 326.488 3.386 10 0 EGAELP c1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)n(-c2cc[nH+]cc2)n1 ZINC000667681045 462212076 /nfs/dbraw/zinc/21/20/76/462212076.db2.gz ZYZQQTDZCXTFNE-UHFFFAOYSA-N 2 2 326.444 3.193 10 0 EGAELP c1cc(C[N@H+]2CCOC3(C2)CCCCCC3)n(-c2cc[nH+]cc2)n1 ZINC000667681045 462212079 /nfs/dbraw/zinc/21/20/79/462212079.db2.gz ZYZQQTDZCXTFNE-UHFFFAOYSA-N 2 2 326.444 3.193 10 0 EGAELP COc1cc(C)nc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000657650117 462215734 /nfs/dbraw/zinc/21/57/34/462215734.db2.gz XWKFIBJSDVAMOS-IBGZPJMESA-N 2 2 336.439 3.206 10 0 EGAELP COCc1cnc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000657650172 462215903 /nfs/dbraw/zinc/21/59/03/462215903.db2.gz ZHXSTJXRYWZQRH-MRXNPFEDSA-N 2 2 342.468 3.097 10 0 EGAELP CC[NH+](CC)Cc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651862704 462358729 /nfs/dbraw/zinc/35/87/29/462358729.db2.gz DKLFGTAKUVDONM-UHFFFAOYSA-N 2 2 340.471 3.242 10 0 EGAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250625 462369326 /nfs/dbraw/zinc/36/93/26/462369326.db2.gz XWEHMAQZHJTMMI-NSISKUIASA-N 2 2 337.467 3.139 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000665254961 462370857 /nfs/dbraw/zinc/37/08/57/462370857.db2.gz DUPQSELIQQMOGY-QSFXBCCZSA-N 2 2 325.456 3.277 10 0 EGAELP CCCC[C@@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259667 462374039 /nfs/dbraw/zinc/37/40/39/462374039.db2.gz MNGHZMLNQKXQSE-LZLYRXPVSA-N 2 2 338.467 3.075 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000651928332 462381566 /nfs/dbraw/zinc/38/15/66/462381566.db2.gz DAAZWMKXCHCPNL-CZAAIQMYSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000651928332 462381576 /nfs/dbraw/zinc/38/15/76/462381576.db2.gz DAAZWMKXCHCPNL-CZAAIQMYSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277341 462382055 /nfs/dbraw/zinc/38/20/55/462382055.db2.gz ZHHUWMQJGAIVRC-MISYRCLQSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277341 462382057 /nfs/dbraw/zinc/38/20/57/462382057.db2.gz ZHHUWMQJGAIVRC-MISYRCLQSA-N 3 2 327.516 3.019 10 0 EGAELP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658177051 462421328 /nfs/dbraw/zinc/42/13/28/462421328.db2.gz AHXZKUCRBGWIAG-AWEZNQCLSA-N 2 2 347.409 3.386 10 0 EGAELP c1[nH+]cn2c1c(NCCc1cn3c([nH+]1)CCCC3)nc1ccccc12 ZINC000623842311 469776720 /nfs/dbraw/zinc/77/67/20/469776720.db2.gz KPYBMCVNSBFOSK-UHFFFAOYSA-N 2 2 332.411 3.070 10 0 EGAELP Brc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177101279 547023553 /nfs/dbraw/zinc/02/35/53/547023553.db2.gz XOQNWTAGRWJIDD-NSHDSACASA-N 2 2 326.263 3.372 10 0 EGAELP Brc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177101279 547023557 /nfs/dbraw/zinc/02/35/57/547023557.db2.gz XOQNWTAGRWJIDD-NSHDSACASA-N 2 2 326.263 3.372 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223506 547116886 /nfs/dbraw/zinc/11/68/86/547116886.db2.gz GOVLISKYBSNFRA-LBPRGKRZSA-N 2 2 326.263 3.372 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223506 547116891 /nfs/dbraw/zinc/11/68/91/547116891.db2.gz GOVLISKYBSNFRA-LBPRGKRZSA-N 2 2 326.263 3.372 10 0 EGAELP c1nc(C2CC2)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000486986524 547970180 /nfs/dbraw/zinc/97/01/80/547970180.db2.gz JYLNYUZWJYSRAP-UHFFFAOYSA-N 2 2 343.496 3.143 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC=C(c2ccccc2)C1 ZINC000671253230 548270718 /nfs/dbraw/zinc/27/07/18/548270718.db2.gz RBGMGCJHNKFMNO-JOCHJYFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC=C(c2ccccc2)C1 ZINC000671253230 548270721 /nfs/dbraw/zinc/27/07/21/548270721.db2.gz RBGMGCJHNKFMNO-JOCHJYFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000671253230 548270726 /nfs/dbraw/zinc/27/07/26/548270726.db2.gz RBGMGCJHNKFMNO-JOCHJYFZSA-N 2 2 336.479 3.269 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000671253230 548270729 /nfs/dbraw/zinc/27/07/29/548270729.db2.gz RBGMGCJHNKFMNO-JOCHJYFZSA-N 2 2 336.479 3.269 10 0 EGAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675568967 548939223 /nfs/dbraw/zinc/93/92/23/548939223.db2.gz IPKNHPIIVMRLRB-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675568967 548939229 /nfs/dbraw/zinc/93/92/29/548939229.db2.gz IPKNHPIIVMRLRB-GOSISDBHSA-N 2 2 349.438 3.073 10 0 EGAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675568973 548939316 /nfs/dbraw/zinc/93/93/16/548939316.db2.gz IPKNHPIIVMRLRB-SFHVURJKSA-N 2 2 349.438 3.073 10 0 EGAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675568973 548939321 /nfs/dbraw/zinc/93/93/21/548939321.db2.gz IPKNHPIIVMRLRB-SFHVURJKSA-N 2 2 349.438 3.073 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000675918362 549004108 /nfs/dbraw/zinc/00/41/08/549004108.db2.gz GZELSXLWIRNJLS-MSOLQXFVSA-N 2 2 335.455 3.105 10 0 EGAELP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCCO1 ZINC000678597548 549528788 /nfs/dbraw/zinc/52/87/88/549528788.db2.gz IGJDEVSNOAHBON-LJQANCHMSA-N 2 2 331.504 3.231 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000681606732 550017682 /nfs/dbraw/zinc/01/76/82/550017682.db2.gz QJHNUKHQRKRXDA-HXUWFJFHSA-N 2 2 344.524 3.420 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000681606732 550017683 /nfs/dbraw/zinc/01/76/83/550017683.db2.gz QJHNUKHQRKRXDA-HXUWFJFHSA-N 2 2 344.524 3.420 10 0 EGAELP Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000683473549 550232777 /nfs/dbraw/zinc/23/27/77/550232777.db2.gz MEFFHBLDYHTETM-HNNXBMFYSA-N 2 2 325.437 3.287 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000742388873 576778036 /nfs/dbraw/zinc/77/80/36/576778036.db2.gz SUENAGNKROOBLB-SFHVURJKSA-N 2 2 331.423 3.370 10 0 EGAELP C/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000742714095 576793950 /nfs/dbraw/zinc/79/39/50/576793950.db2.gz GZBZCDXAUJNTHH-BMRADRMJSA-N 2 2 335.536 3.045 10 0 EGAELP O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000743368442 576807110 /nfs/dbraw/zinc/80/71/10/576807110.db2.gz OZEMAGMINNVZII-IAGOWNOFSA-N 2 2 344.846 3.105 10 0 EGAELP O=C1C[C@H](c2ccc(Cl)cc2)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000743368442 576807111 /nfs/dbraw/zinc/80/71/11/576807111.db2.gz OZEMAGMINNVZII-IAGOWNOFSA-N 2 2 344.846 3.105 10 0 EGAELP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000236766553 1296203811 /nfs/dbraw/zinc/20/38/11/1296203811.db2.gz AKUXIXFAKQDASV-OAHLLOKOSA-N 2 2 332.488 3.373 10 0 EGAELP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CCCOC1 ZINC000872056238 1296704137 /nfs/dbraw/zinc/70/41/37/1296704137.db2.gz PHXVSFRSJYLWAC-QFBILLFUSA-N 2 2 346.519 3.229 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379656998 1297535931 /nfs/dbraw/zinc/53/59/31/1297535931.db2.gz REQUMSQMRCFWNL-FXAWDEMLSA-N 2 2 337.467 3.268 10 0 EGAELP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379656998 1297535940 /nfs/dbraw/zinc/53/59/40/1297535940.db2.gz REQUMSQMRCFWNL-FXAWDEMLSA-N 2 2 337.467 3.268 10 0 EGAELP C[N@@H+](Cc1c(N)cccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383245047 1297568773 /nfs/dbraw/zinc/56/87/73/1297568773.db2.gz GPKBYKGIFAOGOT-QGZVFWFLSA-N 2 2 327.447 3.362 10 0 EGAELP C[N@H+](Cc1c(N)cccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383245047 1297568784 /nfs/dbraw/zinc/56/87/84/1297568784.db2.gz GPKBYKGIFAOGOT-QGZVFWFLSA-N 2 2 327.447 3.362 10 0 EGAELP C[NH+](Cc1c(N)cccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383245047 1297568792 /nfs/dbraw/zinc/56/87/92/1297568792.db2.gz GPKBYKGIFAOGOT-QGZVFWFLSA-N 2 2 327.447 3.362 10 0 EGAELP C[NH+](Cc1c(N)cccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383245047 1297568793 /nfs/dbraw/zinc/56/87/93/1297568793.db2.gz GPKBYKGIFAOGOT-QGZVFWFLSA-N 2 2 327.447 3.362 10 0 EGAELP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390521423 1297627120 /nfs/dbraw/zinc/62/71/20/1297627120.db2.gz GPPBKAANGVRHIV-AQNXPRMDSA-N 2 2 344.499 3.363 10 0 EGAELP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390521423 1297627133 /nfs/dbraw/zinc/62/71/33/1297627133.db2.gz GPPBKAANGVRHIV-AQNXPRMDSA-N 2 2 344.499 3.363 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000581816161 1298019320 /nfs/dbraw/zinc/01/93/20/1298019320.db2.gz MWAAUMHIIXSLIE-SFHVURJKSA-N 2 2 343.471 3.226 10 0 EGAELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000581816161 1298019324 /nfs/dbraw/zinc/01/93/24/1298019324.db2.gz MWAAUMHIIXSLIE-SFHVURJKSA-N 2 2 343.471 3.226 10 0 EGAELP COC(=O)c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)[nH]c1C(C)C ZINC000893979488 1306161926 /nfs/dbraw/zinc/16/19/26/1306161926.db2.gz ALWCSEOKCDTSNP-UHFFFAOYSA-N 2 2 330.432 3.027 10 0 EGAELP C[C@@H](CC[NH2+]Cc1nc2ccc(Br)cc2s1)[NH+](C)C ZINC000895293704 1309273206 /nfs/dbraw/zinc/27/32/06/1309273206.db2.gz JPPUMYUTQUEWBB-JTQLQIEISA-N 2 2 342.306 3.489 10 0 EGAELP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC000895465286 1309351338 /nfs/dbraw/zinc/35/13/38/1309351338.db2.gz ALNMTCRDNPNZIE-SFHVURJKSA-N 2 2 342.487 3.126 10 0 EGAELP C[C@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556895 1309400065 /nfs/dbraw/zinc/40/00/65/1309400065.db2.gz MKGHFPXFULOWMN-WMLDXEAASA-N 2 2 344.484 3.100 10 0 EGAELP C[C@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CCN1c1cc[nH+]cc1 ZINC000895556895 1309400071 /nfs/dbraw/zinc/40/00/71/1309400071.db2.gz MKGHFPXFULOWMN-WMLDXEAASA-N 2 2 344.484 3.100 10 0 EGAELP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(Br)cc1F ZINC000858094501 1328679823 /nfs/dbraw/zinc/67/98/23/1328679823.db2.gz PRKABWYZZQOOOL-LLVKDONJSA-N 2 2 326.213 3.271 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000858145764 1328695130 /nfs/dbraw/zinc/69/51/30/1328695130.db2.gz DZALIVABSICBKW-DGCLKSJQSA-N 2 2 329.257 3.469 10 0 EGAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)cc1F ZINC000858145764 1328695133 /nfs/dbraw/zinc/69/51/33/1328695133.db2.gz DZALIVABSICBKW-DGCLKSJQSA-N 2 2 329.257 3.469 10 0 EGAELP FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000930129495 1328792295 /nfs/dbraw/zinc/79/22/95/1328792295.db2.gz QKLQLIZGCWENBK-KGLIPLIRSA-N 2 2 329.366 3.068 10 0 EGAELP CCO[C@@H](C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1)C[NH+](C)C ZINC000922755774 1322611659 /nfs/dbraw/zinc/61/16/59/1322611659.db2.gz AIXHBGBHKDJYBR-INIZCTEOSA-N 2 2 333.501 3.175 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924672576 1323106267 /nfs/dbraw/zinc/10/62/67/1323106267.db2.gz UELSSKCJQMRBJJ-RTWAWAEBSA-N 2 2 346.515 3.346 10 0 EGAELP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924672576 1323106277 /nfs/dbraw/zinc/10/62/77/1323106277.db2.gz UELSSKCJQMRBJJ-RTWAWAEBSA-N 2 2 346.515 3.346 10 0 EGAELP Brc1cnc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000924730238 1323137090 /nfs/dbraw/zinc/13/70/90/1323137090.db2.gz DCRXLEAVRPCADY-OAHLLOKOSA-N 2 2 349.276 3.488 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925002716 1323241614 /nfs/dbraw/zinc/24/16/14/1323241614.db2.gz SVTSOFZJCAJGDS-XLIONFOSSA-N 2 2 345.531 3.272 10 0 EGAELP COc1cc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1OC(F)F ZINC000931309750 1329091276 /nfs/dbraw/zinc/09/12/76/1329091276.db2.gz SWYNTZGGPUKTFI-ROUUACIJSA-N 2 2 340.414 3.070 10 0 EGAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1C(F)(F)F ZINC000925485523 1325170736 /nfs/dbraw/zinc/17/07/36/1325170736.db2.gz NYXXJZIHJFAEJR-GJZGRUSLSA-N 2 2 328.378 3.003 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1C(F)(F)F ZINC000925485525 1325171426 /nfs/dbraw/zinc/17/14/26/1325171426.db2.gz NYXXJZIHJFAEJR-LSDHHAIUSA-N 2 2 328.378 3.003 10 0 EGAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000925501544 1325179075 /nfs/dbraw/zinc/17/90/75/1325179075.db2.gz CUPAZUIHSSSGMQ-LSDHHAIUSA-N 2 2 329.271 3.291 10 0 EGAELP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000925719507 1325269528 /nfs/dbraw/zinc/26/95/28/1325269528.db2.gz OINBNAOWPCXHOP-PMACEKPBSA-N 2 2 349.478 3.114 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217836 1325476902 /nfs/dbraw/zinc/47/69/02/1325476902.db2.gz WUEYMQMEHHZTCU-QGZBPCDMSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@H]1CC2(CC([NH2+]C[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000926217836 1325476905 /nfs/dbraw/zinc/47/69/05/1325476905.db2.gz WUEYMQMEHHZTCU-QGZBPCDMSA-N 2 2 328.500 3.444 10 0 EGAELP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@]1(C)CCCO1 ZINC000926956960 1327796646 /nfs/dbraw/zinc/79/66/46/1327796646.db2.gz DUBDZFWYFXPBFM-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@]1(C)CCCO1 ZINC000926956960 1327796652 /nfs/dbraw/zinc/79/66/52/1327796652.db2.gz DUBDZFWYFXPBFM-QUCCMNQESA-N 2 2 346.515 3.215 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC[N@@H+]1C ZINC000864989271 1329659146 /nfs/dbraw/zinc/65/91/46/1329659146.db2.gz SZITVHCJBLJXBI-DLBZAZTESA-N 2 2 326.444 3.362 10 0 EGAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC[N@H+]1C ZINC000864989271 1329659148 /nfs/dbraw/zinc/65/91/48/1329659148.db2.gz SZITVHCJBLJXBI-DLBZAZTESA-N 2 2 326.444 3.362 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)(F)F ZINC000865574399 1329715321 /nfs/dbraw/zinc/71/53/21/1329715321.db2.gz VVOHEDGLRCJENO-SNVBAGLBSA-N 2 2 329.297 3.095 10 0 EGAELP C[C@@H](CCc1cccnc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000866231344 1330081223 /nfs/dbraw/zinc/08/12/23/1330081223.db2.gz XJSZAVSAMJGHMY-KRWDZBQOSA-N 2 2 333.545 3.354 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc12 ZINC000866411283 1330108180 /nfs/dbraw/zinc/10/81/80/1330108180.db2.gz IDYBYVCBHMDBDE-CVEARBPZSA-N 2 2 342.483 3.344 10 0 EGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc12 ZINC000866411283 1330108181 /nfs/dbraw/zinc/10/81/81/1330108181.db2.gz IDYBYVCBHMDBDE-CVEARBPZSA-N 2 2 342.483 3.344 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263030 1387319547 /nfs/dbraw/zinc/31/95/47/1387319547.db2.gz QOKAFNOWPBSRMT-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)n1cc[nH+]c1 ZINC001323263030 1387319550 /nfs/dbraw/zinc/31/95/50/1387319550.db2.gz QOKAFNOWPBSRMT-RBUKOAKNSA-N 2 2 346.519 3.241 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC(C)C)C2 ZINC001323815629 1387466760 /nfs/dbraw/zinc/46/67/60/1387466760.db2.gz GWFPITYXMLXAJJ-HXUWFJFHSA-N 2 2 346.519 3.011 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001323815629 1387466761 /nfs/dbraw/zinc/46/67/61/1387466761.db2.gz GWFPITYXMLXAJJ-HXUWFJFHSA-N 2 2 346.519 3.011 10 0 EGAELP C[C@@H](CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001324335646 1387597365 /nfs/dbraw/zinc/59/73/65/1387597365.db2.gz TVNLSRVBTNIJIV-INIZCTEOSA-N 2 2 334.508 3.241 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001325942608 1388093431 /nfs/dbraw/zinc/09/34/31/1388093431.db2.gz MIJZCHVARWNHAF-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001325942608 1388093437 /nfs/dbraw/zinc/09/34/37/1388093437.db2.gz MIJZCHVARWNHAF-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001325942608 1388093441 /nfs/dbraw/zinc/09/34/41/1388093441.db2.gz MIJZCHVARWNHAF-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CCC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001325942608 1388093446 /nfs/dbraw/zinc/09/34/46/1388093446.db2.gz MIJZCHVARWNHAF-HWUNFHLVSA-N 2 2 344.503 3.012 10 0 EGAELP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001326489239 1388213066 /nfs/dbraw/zinc/21/30/66/1388213066.db2.gz GZOCOPBLKZZONV-CQSZACIVSA-N 2 2 328.460 3.028 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155987 1388410555 /nfs/dbraw/zinc/41/05/55/1388410555.db2.gz JOOWNYIDHZOOCE-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155987 1388410558 /nfs/dbraw/zinc/41/05/58/1388410558.db2.gz JOOWNYIDHZOOCE-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001327155987 1388410560 /nfs/dbraw/zinc/41/05/60/1388410560.db2.gz JOOWNYIDHZOOCE-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001327155987 1388410562 /nfs/dbraw/zinc/41/05/62/1388410562.db2.gz JOOWNYIDHZOOCE-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226937 1377236798 /nfs/dbraw/zinc/23/67/98/1377236798.db2.gz JRZOOCOEKKUSGX-CVEARBPZSA-N 2 2 346.450 3.057 10 0 EGAELP C[C@@H](F)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226937 1377236799 /nfs/dbraw/zinc/23/67/99/1377236799.db2.gz JRZOOCOEKKUSGX-CVEARBPZSA-N 2 2 346.450 3.057 10 0 EGAELP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266489562 1377319775 /nfs/dbraw/zinc/31/97/75/1377319775.db2.gz JOPWOKGLZPVTEC-CEXWTWQISA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266489562 1377319777 /nfs/dbraw/zinc/31/97/77/1377319777.db2.gz JOPWOKGLZPVTEC-CEXWTWQISA-N 2 2 346.519 3.192 10 0 EGAELP CC[C@H](C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1)[NH+](CC)CC ZINC001268446310 1377508577 /nfs/dbraw/zinc/50/85/77/1377508577.db2.gz HGWXSIDRAXIZIA-HXUWFJFHSA-N 2 2 345.531 3.231 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001271599022 1377643524 /nfs/dbraw/zinc/64/35/24/1377643524.db2.gz GELMNEAQNALAKI-GOSISDBHSA-N 2 2 344.503 3.122 10 0 EGAELP CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282809663 1378620988 /nfs/dbraw/zinc/62/09/88/1378620988.db2.gz GCXVWJQMHVBHTH-MSOLQXFVSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282809663 1378620994 /nfs/dbraw/zinc/62/09/94/1378620994.db2.gz GCXVWJQMHVBHTH-MSOLQXFVSA-N 2 2 348.535 3.343 10 0 EGAELP 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EGAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[C@@H]([NH2+]CCC(C)C)C3)ccn12 ZINC001480692753 1392857411 /nfs/dbraw/zinc/85/74/11/1392857411.db2.gz HPJWXWQJENIOPF-MSOLQXFVSA-N 2 2 342.487 3.319 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480726741 1392887576 /nfs/dbraw/zinc/88/75/76/1392887576.db2.gz IQHCLEJZUCHEPX-XFHJGTJQSA-N 2 2 332.492 3.012 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480726741 1392887579 /nfs/dbraw/zinc/88/75/79/1392887579.db2.gz IQHCLEJZUCHEPX-XFHJGTJQSA-N 2 2 332.492 3.012 10 0 EGAELP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480726741 1392887585 /nfs/dbraw/zinc/88/75/85/1392887585.db2.gz IQHCLEJZUCHEPX-XFHJGTJQSA-N 2 2 332.492 3.012 10 0 EGAELP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480726741 1392887591 /nfs/dbraw/zinc/88/75/91/1392887591.db2.gz IQHCLEJZUCHEPX-XFHJGTJQSA-N 2 2 332.492 3.012 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922281 1393022003 /nfs/dbraw/zinc/02/20/03/1393022003.db2.gz GHGTWOVSMQAQJJ-IRXDYDNUSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001480922281 1393022008 /nfs/dbraw/zinc/02/20/08/1393022008.db2.gz GHGTWOVSMQAQJJ-IRXDYDNUSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922281 1393022012 /nfs/dbraw/zinc/02/20/12/1393022012.db2.gz GHGTWOVSMQAQJJ-IRXDYDNUSA-N 2 2 342.487 3.014 10 0 EGAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001480922281 1393022016 /nfs/dbraw/zinc/02/20/16/1393022016.db2.gz GHGTWOVSMQAQJJ-IRXDYDNUSA-N 2 2 342.487 3.014 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001490420299 1394220784 /nfs/dbraw/zinc/22/07/84/1394220784.db2.gz WDHKUSZWROVROX-INIZCTEOSA-N 2 2 344.503 3.012 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001490420299 1394220789 /nfs/dbraw/zinc/22/07/89/1394220789.db2.gz WDHKUSZWROVROX-INIZCTEOSA-N 2 2 344.503 3.012 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481406523 1394261480 /nfs/dbraw/zinc/26/14/80/1394261480.db2.gz JTVNVMMTCUEHQQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481406523 1394261483 /nfs/dbraw/zinc/26/14/83/1394261483.db2.gz JTVNVMMTCUEHQQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481406523 1394261486 /nfs/dbraw/zinc/26/14/86/1394261486.db2.gz JTVNVMMTCUEHQQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481406523 1394261487 /nfs/dbraw/zinc/26/14/87/1394261487.db2.gz JTVNVMMTCUEHQQ-FUHWJXTLSA-N 2 2 348.535 3.337 10 0 EGAELP CCCCC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001481959731 1394620055 /nfs/dbraw/zinc/62/00/55/1394620055.db2.gz AYWPULONEYMHNY-KXBFYZLASA-N 2 2 334.508 3.106 10 0 EGAELP CCCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001482024277 1394682031 /nfs/dbraw/zinc/68/20/31/1394682031.db2.gz RYFBYLUUVARQLV-QAQDUYKDSA-N 2 2 342.487 3.002 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CCC(C)C)C(C)C)ccn12 ZINC001698960101 1406712722 /nfs/dbraw/zinc/71/27/22/1406712722.db2.gz FMFFSKDUVXEGBH-KRWDZBQOSA-N 2 2 330.476 3.033 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]CCCC3CCC3)ccn12 ZINC001482282860 1394864893 /nfs/dbraw/zinc/86/48/93/1394864893.db2.gz AEYDGTRWNJERHF-OAHLLOKOSA-N 2 2 342.487 3.273 10 0 EGAELP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001482354936 1394918526 /nfs/dbraw/zinc/91/85/26/1394918526.db2.gz VPMGVJIOKKDZDI-HOTGVXAUSA-N 2 2 342.487 3.193 10 0 EGAELP CC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CCCCC1 ZINC001482405756 1394968703 /nfs/dbraw/zinc/96/87/03/1394968703.db2.gz HUMCAXLJRQRRAL-ZWKOTPCHSA-N 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CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484892972 1395588538 /nfs/dbraw/zinc/58/85/38/1395588538.db2.gz SDIGNXUXDSSTTM-KBXCAEBGSA-N 2 2 328.460 3.049 10 0 EGAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001484984381 1395626908 /nfs/dbraw/zinc/62/69/08/1395626908.db2.gz ZDSGIQBIDIKUOF-DFOOCIKTSA-N 2 2 346.519 3.068 10 0 EGAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001484984381 1395626915 /nfs/dbraw/zinc/62/69/15/1395626915.db2.gz ZDSGIQBIDIKUOF-DFOOCIKTSA-N 2 2 346.519 3.068 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214248 1395709737 /nfs/dbraw/zinc/70/97/37/1395709737.db2.gz DQDIFJUHRCPRMG-HUUCEWRRSA-N 2 2 334.508 3.104 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485482432 1395966679 /nfs/dbraw/zinc/96/66/79/1395966679.db2.gz LPQSCCVQSIJNHQ-PKVWGGKHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001485482432 1395966682 /nfs/dbraw/zinc/96/66/82/1395966682.db2.gz LPQSCCVQSIJNHQ-PKVWGGKHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485482432 1395966685 /nfs/dbraw/zinc/96/66/85/1395966685.db2.gz LPQSCCVQSIJNHQ-PKVWGGKHSA-N 2 2 346.519 3.305 10 0 EGAELP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001485482432 1395966691 /nfs/dbraw/zinc/96/66/91/1395966691.db2.gz LPQSCCVQSIJNHQ-PKVWGGKHSA-N 2 2 346.519 3.305 10 0 EGAELP CC1(C)C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485570660 1396035283 /nfs/dbraw/zinc/03/52/83/1396035283.db2.gz FSYNOKXVTGXMAH-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485570660 1396035290 /nfs/dbraw/zinc/03/52/90/1396035290.db2.gz FSYNOKXVTGXMAH-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485570660 1396035293 /nfs/dbraw/zinc/03/52/93/1396035293.db2.gz FSYNOKXVTGXMAH-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP CC1(C)C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485570660 1396035301 /nfs/dbraw/zinc/03/53/01/1396035301.db2.gz FSYNOKXVTGXMAH-GOSISDBHSA-N 2 2 346.519 3.139 10 0 EGAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001491875450 1396298989 /nfs/dbraw/zinc/29/89/89/1396298989.db2.gz AKRBKHQHCQATDA-QZTJIDSGSA-N 2 2 347.503 3.086 10 0 EGAELP CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699025038 1406861024 /nfs/dbraw/zinc/86/10/24/1406861024.db2.gz VISPJKQESWPZRR-GOEBONIOSA-N 2 2 342.487 3.487 10 0 EGAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C(C)(C)C)CC1 ZINC001689869992 1404177033 /nfs/dbraw/zinc/17/70/33/1404177033.db2.gz YJYGZOMTMLGGCS-UHFFFAOYSA-N 2 2 348.535 3.243 10 0 EGAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C(C)(C)C)CC1 ZINC001689869992 1404177037 /nfs/dbraw/zinc/17/70/37/1404177037.db2.gz YJYGZOMTMLGGCS-UHFFFAOYSA-N 2 2 348.535 3.243 10 0 EGAELP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690480816 1404600226 /nfs/dbraw/zinc/60/02/26/1404600226.db2.gz SHFKPAKLHLFHLJ-FUHWJXTLSA-N 2 2 334.508 3.241 10 0 EGAELP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690775029 1404723860 /nfs/dbraw/zinc/72/38/60/1404723860.db2.gz OSWDAMGODBULLI-CVEARBPZSA-N 2 2 328.460 3.384 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001691682259 1405417139 /nfs/dbraw/zinc/41/71/39/1405417139.db2.gz GZUMBSLWRKMYOZ-SJORKVTESA-N 2 2 332.492 3.017 10 0 EGAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892857 1405614644 /nfs/dbraw/zinc/61/46/44/1405614644.db2.gz IKMKGCNAPJRGFO-RTBURBONSA-N 2 2 346.519 3.265 10 0 EGAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691892857 1405614646 /nfs/dbraw/zinc/61/46/46/1405614646.db2.gz IKMKGCNAPJRGFO-RTBURBONSA-N 2 2 346.519 3.265 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001691983729 1405697020 /nfs/dbraw/zinc/69/70/20/1405697020.db2.gz KKEPZBZRRUDYID-YVZJPGBNSA-N 2 2 346.519 3.138 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CCC(C)CC1 ZINC001691983729 1405697022 /nfs/dbraw/zinc/69/70/22/1405697022.db2.gz KKEPZBZRRUDYID-YVZJPGBNSA-N 2 2 346.519 3.138 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001691983729 1405697028 /nfs/dbraw/zinc/69/70/28/1405697028.db2.gz KKEPZBZRRUDYID-YVZJPGBNSA-N 2 2 346.519 3.138 10 0 EGAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CCC(C)CC1 ZINC001691983729 1405697031 /nfs/dbraw/zinc/69/70/31/1405697031.db2.gz KKEPZBZRRUDYID-YVZJPGBNSA-N 2 2 346.519 3.138 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001692087483 1405767000 /nfs/dbraw/zinc/76/70/00/1405767000.db2.gz FHEQCENHQUVQLG-MDZRGWNJSA-N 2 2 348.535 3.241 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001692087483 1405767005 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2 2 348.535 3.289 10 0 EGAELP CC[C@H]([NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC001732238116 1428483933 /nfs/dbraw/zinc/48/39/33/1428483933.db2.gz ZIAHIFPWPNSBJM-SFHVURJKSA-N 2 2 340.471 3.053 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001732309140 1428523171 /nfs/dbraw/zinc/52/31/71/1428523171.db2.gz YCPBSPBRMFCBOJ-BZUAXINKSA-N 2 2 328.460 3.011 10 0 EGAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732529401 1428649541 /nfs/dbraw/zinc/64/95/41/1428649541.db2.gz LWYOHTSZPDEJLM-AEFFLSMTSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](CC[NH2+]Cc1ccccc1Cl)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699138149 1412529988 /nfs/dbraw/zinc/52/99/88/1412529988.db2.gz HXGCQNZYDLFCPG-HUUCEWRRSA-N 2 2 348.878 3.172 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCCCC(F)(F)F)c(C)[nH+]1 ZINC001699372210 1412679294 /nfs/dbraw/zinc/67/92/94/1412679294.db2.gz OXNVNCYIKXNUTC-CYBMUJFWSA-N 2 2 345.409 3.447 10 0 EGAELP 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ZINC001732550762 1428733574 /nfs/dbraw/zinc/73/35/74/1428733574.db2.gz FFIOWCIKOWMXAP-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732550762 1428733576 /nfs/dbraw/zinc/73/35/76/1428733576.db2.gz FFIOWCIKOWMXAP-UHFFFAOYSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203547 1413648078 /nfs/dbraw/zinc/64/80/78/1413648078.db2.gz SLPLHYJGSVIIQW-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001700203547 1413648082 /nfs/dbraw/zinc/64/80/82/1413648082.db2.gz SLPLHYJGSVIIQW-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203547 1413648085 /nfs/dbraw/zinc/64/80/85/1413648085.db2.gz SLPLHYJGSVIIQW-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001700203547 1413648089 /nfs/dbraw/zinc/64/80/89/1413648089.db2.gz SLPLHYJGSVIIQW-SJLPKXTDSA-N 2 2 346.519 3.139 10 0 EGAELP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001700261793 1413709489 /nfs/dbraw/zinc/70/94/89/1413709489.db2.gz GRPZHIVEKICXSC-GUYCJALGSA-N 2 2 328.460 3.049 10 0 EGAELP CC1(C)CC(C[NH2+]C2(C)CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001700287118 1413734349 /nfs/dbraw/zinc/73/43/49/1413734349.db2.gz GEOXCQLUZNQTEK-UHFFFAOYSA-N 2 2 346.519 3.070 10 0 EGAELP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001700672101 1414328581 /nfs/dbraw/zinc/32/85/81/1414328581.db2.gz WCQSQJMMCUITEE-QGZVFWFLSA-N 2 2 340.471 3.327 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001700993730 1414639696 /nfs/dbraw/zinc/63/96/96/1414639696.db2.gz VOUOJTHAMDPZFJ-JFIYKMOQSA-N 2 2 348.535 3.080 10 0 EGAELP CC/C=C\CC[NH2+]CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732775399 1428962745 /nfs/dbraw/zinc/96/27/45/1428962745.db2.gz RNQWGIOFZAETFV-SREVYHEPSA-N 2 2 328.460 3.051 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732973731 1429100419 /nfs/dbraw/zinc/10/04/19/1429100419.db2.gz IECZBTCPAGZRLY-HZPDHXFCSA-N 2 2 334.508 3.043 10 0 EGAELP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732973731 1429100420 /nfs/dbraw/zinc/10/04/20/1429100420.db2.gz IECZBTCPAGZRLY-HZPDHXFCSA-N 2 2 334.508 3.043 10 0 EGAELP CC(C)(C)CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001707244628 1417263375 /nfs/dbraw/zinc/26/33/75/1417263375.db2.gz JHAVQCZRAHJNJE-INIZCTEOSA-N 2 2 334.508 3.139 10 0 EGAELP Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001712974952 1417528204 /nfs/dbraw/zinc/52/82/04/1417528204.db2.gz LLWIXDQDCIRBOK-ZWKOTPCHSA-N 2 2 342.487 3.342 10 0 EGAELP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001712974952 1417528207 /nfs/dbraw/zinc/52/82/07/1417528207.db2.gz LLWIXDQDCIRBOK-ZWKOTPCHSA-N 2 2 342.487 3.342 10 0 EGAELP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCCCF)C1)c1cccc2[nH+]ccn21 ZINC001713377266 1417986930 /nfs/dbraw/zinc/98/69/30/1417986930.db2.gz OWNHXGHNOCFBBW-JKSUJKDBSA-N 2 2 346.450 3.105 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001713439612 1418074022 /nfs/dbraw/zinc/07/40/22/1418074022.db2.gz GHZFTRHPQVFOIF-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001713439612 1418074026 /nfs/dbraw/zinc/07/40/26/1418074026.db2.gz GHZFTRHPQVFOIF-SFHVURJKSA-N 2 2 344.503 3.204 10 0 EGAELP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733143278 1429260618 /nfs/dbraw/zinc/26/06/18/1429260618.db2.gz PNEJORZPEZMDIP-UHFFFAOYSA-N 2 2 332.492 3.016 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001714192962 1418999090 /nfs/dbraw/zinc/99/90/90/1418999090.db2.gz MIUAUXZRNVPZSH-UHFFFAOYSA-N 2 2 344.503 3.181 10 0 EGAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001714312134 1419093203 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ROJADAWFCPFHLM-HKUYNNGSSA-N 2 2 342.487 3.280 10 0 EGAELP CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001714734348 1419487349 /nfs/dbraw/zinc/48/73/49/1419487349.db2.gz HCHNWXQKEGMASV-BJMVGYQFSA-N 2 2 348.450 3.099 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001714835519 1419547443 /nfs/dbraw/zinc/54/74/43/1419547443.db2.gz ZCNGQVJPKDPTSX-OAHLLOKOSA-N 2 2 334.508 3.058 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001714856082 1419572337 /nfs/dbraw/zinc/57/23/37/1419572337.db2.gz NYOAXMCSWKTERA-JKSUJKDBSA-N 2 2 346.450 3.238 10 0 EGAELP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C[C@@H](F)CC)C1 ZINC001714856082 1419572341 /nfs/dbraw/zinc/57/23/41/1419572341.db2.gz NYOAXMCSWKTERA-JKSUJKDBSA-N 2 2 346.450 3.238 10 0 EGAELP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714872012 1419602885 /nfs/dbraw/zinc/60/28/85/1419602885.db2.gz BWXLDUYFMRKATJ-IAGOWNOFSA-N 2 2 335.467 3.197 10 0 EGAELP 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ZINC001715211316 1419944245 /nfs/dbraw/zinc/94/42/45/1419944245.db2.gz OSFNMJLNXYRICK-QGZVFWFLSA-N 2 2 340.471 3.337 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001715233892 1419965289 /nfs/dbraw/zinc/96/52/89/1419965289.db2.gz MFFQOXLGJPBBCI-DOTOQJQBSA-N 2 2 342.487 3.062 10 0 EGAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001715233892 1419965294 /nfs/dbraw/zinc/96/52/94/1419965294.db2.gz MFFQOXLGJPBBCI-DOTOQJQBSA-N 2 2 342.487 3.062 10 0 EGAELP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001715390127 1420086821 /nfs/dbraw/zinc/08/68/21/1420086821.db2.gz DWMJCIUKFLDVGM-GVDBMIGSSA-N 2 2 348.535 3.080 10 0 EGAELP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715497998 1420179922 /nfs/dbraw/zinc/17/99/22/1420179922.db2.gz KASDRTPBLSPVHH-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715497998 1420179928 /nfs/dbraw/zinc/17/99/28/1420179928.db2.gz KASDRTPBLSPVHH-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715497998 1420179931 /nfs/dbraw/zinc/17/99/31/1420179931.db2.gz KASDRTPBLSPVHH-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715497998 1420179935 /nfs/dbraw/zinc/17/99/35/1420179935.db2.gz KASDRTPBLSPVHH-QGZVFWFLSA-N 2 2 348.535 3.195 10 0 EGAELP Cc1ccc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)cc1 ZINC001715660934 1420283364 /nfs/dbraw/zinc/28/33/64/1420283364.db2.gz MURTYQMSILIZRR-PKOBYXMFSA-N 2 2 342.487 3.073 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]CC3=CCCCC3)ccn12 ZINC001715816649 1420354989 /nfs/dbraw/zinc/35/49/89/1420354989.db2.gz JNAJJQWGZGVNQX-WAYWQWQTSA-N 2 2 338.455 3.019 10 0 EGAELP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001716042410 1420504893 /nfs/dbraw/zinc/50/48/93/1420504893.db2.gz CGXMEWKMLKGHRQ-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001716042410 1420504897 /nfs/dbraw/zinc/50/48/97/1420504897.db2.gz CGXMEWKMLKGHRQ-IRXDYDNUSA-N 2 2 342.487 3.033 10 0 EGAELP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001733272635 1429435291 /nfs/dbraw/zinc/43/52/91/1429435291.db2.gz OFFKRPZRFAUYJK-ALOPSCKCSA-N 2 2 346.519 3.379 10 0 EGAELP C[C@H](CC(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001716749429 1420901583 /nfs/dbraw/zinc/90/15/83/1420901583.db2.gz ZRIKQKGLDCVPIP-MRXNPFEDSA-N 2 2 346.519 3.193 10 0 EGAELP CC[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896250 1421023860 /nfs/dbraw/zinc/02/38/60/1421023860.db2.gz MCUZKZVELBTBMW-OXJNMPFZSA-N 2 2 342.487 3.212 10 0 EGAELP CC[C@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001716896250 1421023862 /nfs/dbraw/zinc/02/38/62/1421023862.db2.gz MCUZKZVELBTBMW-OXJNMPFZSA-N 2 2 342.487 3.212 10 0 EGAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001716902959 1421035969 /nfs/dbraw/zinc/03/59/69/1421035969.db2.gz SXVPJDHJVSKYOA-HXUWFJFHSA-N 2 2 346.519 3.072 10 0 EGAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001716902959 1421035970 /nfs/dbraw/zinc/03/59/70/1421035970.db2.gz SXVPJDHJVSKYOA-HXUWFJFHSA-N 2 2 346.519 3.072 10 0 EGAELP CCCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001716984118 1421061328 /nfs/dbraw/zinc/06/13/28/1421061328.db2.gz CWEHVHJAXVLLPQ-WBVHZDCISA-N 2 2 342.487 3.441 10 0 EGAELP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]CC[C@@H](C)F)C2)c(C)[nH+]1 ZINC001717092051 1421105886 /nfs/dbraw/zinc/10/58/86/1421105886.db2.gz YOOZVNNENVSRSM-RHSMWYFYSA-N 2 2 335.467 3.197 10 0 EGAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001717248705 1421220302 /nfs/dbraw/zinc/22/03/02/1421220302.db2.gz GFNXWNCQRBTTGJ-HXUWFJFHSA-N 2 2 346.519 3.168 10 0 EGAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001717248705 1421220306 /nfs/dbraw/zinc/22/03/06/1421220306.db2.gz GFNXWNCQRBTTGJ-HXUWFJFHSA-N 2 2 346.519 3.168 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001733289031 1429465593 /nfs/dbraw/zinc/46/55/93/1429465593.db2.gz OOZSKIVRYYQQLF-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001733289031 1429465598 /nfs/dbraw/zinc/46/55/98/1429465598.db2.gz OOZSKIVRYYQQLF-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717411387 1421342968 /nfs/dbraw/zinc/34/29/68/1421342968.db2.gz RZPPCYTXGHFMCY-JTUDCUDASA-N 2 2 328.460 3.095 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001717516496 1421453402 /nfs/dbraw/zinc/45/34/02/1421453402.db2.gz IZDAAICSTGSPNG-MRXNPFEDSA-N 2 2 336.524 3.160 10 0 EGAELP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733307317 1429491054 /nfs/dbraw/zinc/49/10/54/1429491054.db2.gz REBVFGXUWVHDNM-SFHVURJKSA-N 2 2 334.508 3.049 10 0 EGAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001717745318 1421608188 /nfs/dbraw/zinc/60/81/88/1421608188.db2.gz SYEAZCZNFNZJIK-KGLIPLIRSA-N 2 2 348.516 3.149 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001717839269 1421653484 /nfs/dbraw/zinc/65/34/84/1421653484.db2.gz FKMHGNGVQMONQV-XKGZKEIXSA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001717839269 1421653487 /nfs/dbraw/zinc/65/34/87/1421653487.db2.gz FKMHGNGVQMONQV-XKGZKEIXSA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001717839269 1421653489 /nfs/dbraw/zinc/65/34/89/1421653489.db2.gz FKMHGNGVQMONQV-XKGZKEIXSA-N 2 2 346.519 3.282 10 0 EGAELP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001717839269 1421653492 /nfs/dbraw/zinc/65/34/92/1421653492.db2.gz FKMHGNGVQMONQV-XKGZKEIXSA-N 2 2 346.519 3.282 10 0 EGAELP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001733313575 1429497787 /nfs/dbraw/zinc/49/77/87/1429497787.db2.gz STIBRHUFZLQTIF-IAGOWNOFSA-N 2 2 340.471 3.046 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001717963356 1421734713 /nfs/dbraw/zinc/73/47/13/1421734713.db2.gz RVWLQUGWMPYCNX-INMHGKMJSA-N 2 2 334.508 3.070 10 0 EGAELP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001717963356 1421734715 /nfs/dbraw/zinc/73/47/15/1421734715.db2.gz RVWLQUGWMPYCNX-INMHGKMJSA-N 2 2 334.508 3.070 10 0 EGAELP CN(C(=O)C[N@H+](C)Cc1ccccc1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001733318590 1429504998 /nfs/dbraw/zinc/50/49/98/1429504998.db2.gz ZVTGRCVGAROQPA-UHFFFAOYSA-N 2 2 345.531 3.087 10 0 EGAELP CN(C(=O)C[N@@H+](C)Cc1ccccc1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001733318590 1429505001 /nfs/dbraw/zinc/50/50/01/1429505001.db2.gz ZVTGRCVGAROQPA-UHFFFAOYSA-N 2 2 345.531 3.087 10 0 EGAELP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001733324747 1429509403 /nfs/dbraw/zinc/50/94/03/1429509403.db2.gz FBQCRFZNCNSIAN-JKSUJKDBSA-N 2 2 328.460 3.107 10 0 EGAELP CC/C=C\CC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733359455 1429542071 /nfs/dbraw/zinc/54/20/71/1429542071.db2.gz GCROPDCUFXFXMP-PLNGDYQASA-N 2 2 340.471 3.275 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001722940617 1424267833 /nfs/dbraw/zinc/26/78/33/1424267833.db2.gz RBUUMYJADUYXNE-PKOBYXMFSA-N 2 2 344.503 3.107 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001722940617 1424267836 /nfs/dbraw/zinc/26/78/36/1424267836.db2.gz RBUUMYJADUYXNE-PKOBYXMFSA-N 2 2 344.503 3.107 10 0 EGAELP CC(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944427 1424270930 /nfs/dbraw/zinc/27/09/30/1424270930.db2.gz VRIPSVQTUMOQON-NVXWUHKLSA-N 2 2 342.487 3.487 10 0 EGAELP CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733529300 1429736139 /nfs/dbraw/zinc/73/61/39/1429736139.db2.gz UBQKSXKCJDOAOX-HUUCEWRRSA-N 2 2 328.460 3.049 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001733532618 1429739218 /nfs/dbraw/zinc/73/92/18/1429739218.db2.gz DZBXIQMHLQOZCW-MAUKXSAKSA-N 2 2 346.519 3.058 10 0 EGAELP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001724541518 1424902537 /nfs/dbraw/zinc/90/25/37/1424902537.db2.gz XNNGSPCRMQMOFF-WMZOPIPTSA-N 2 2 329.488 3.413 10 0 EGAELP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724735352 1425088704 /nfs/dbraw/zinc/08/87/04/1425088704.db2.gz XVEVYUYJYDAYNA-DLBZAZTESA-N 2 2 348.535 3.198 10 0 EGAELP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062934 1425504643 /nfs/dbraw/zinc/50/46/43/1425504643.db2.gz YKJSWIKNQWOSHX-RTBURBONSA-N 2 2 346.519 3.024 10 0 EGAELP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001725062934 1425504648 /nfs/dbraw/zinc/50/46/48/1425504648.db2.gz YKJSWIKNQWOSHX-RTBURBONSA-N 2 2 346.519 3.024 10 0 EGAELP O=C(NC1CC(C[NH2+]CCC2CCCC2)C1)c1cccc2[nH+]ccn21 ZINC001725064424 1425506401 /nfs/dbraw/zinc/50/64/01/1425506401.db2.gz KKQDBWHMSOLONJ-UHFFFAOYSA-N 2 2 340.471 3.013 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001725088542 1425530044 /nfs/dbraw/zinc/53/00/44/1425530044.db2.gz DVAWBDBAYCQMGL-JKSUJKDBSA-N 2 2 336.524 3.236 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC001725414849 1426060365 /nfs/dbraw/zinc/06/03/65/1426060365.db2.gz RBFSFAMTTMHCTR-ZIAGYGMSSA-N 2 2 346.450 3.035 10 0 EGAELP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001725732842 1426405234 /nfs/dbraw/zinc/40/52/34/1426405234.db2.gz MWFMPGDFEOBGLX-IBGZPJMESA-N 2 2 342.487 3.203 10 0 EGAELP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001725732842 1426405237 /nfs/dbraw/zinc/40/52/37/1426405237.db2.gz MWFMPGDFEOBGLX-IBGZPJMESA-N 2 2 342.487 3.203 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001731270686 1427217766 /nfs/dbraw/zinc/21/77/66/1427217766.db2.gz XPTIMUFKESQQGO-KRWDZBQOSA-N 2 2 346.519 3.243 10 0 EGAELP C[C@@H](CC(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001731270686 1427217767 /nfs/dbraw/zinc/21/77/67/1427217767.db2.gz XPTIMUFKESQQGO-KRWDZBQOSA-N 2 2 346.519 3.243 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001731295122 1427237309 /nfs/dbraw/zinc/23/73/09/1427237309.db2.gz TVUSLEDVALTDTM-WMZOPIPTSA-N 2 2 334.508 3.200 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001731295119 1427237418 /nfs/dbraw/zinc/23/74/18/1427237418.db2.gz TVUSLEDVALTDTM-AEFFLSMTSA-N 2 2 334.508 3.200 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001731354110 1427294428 /nfs/dbraw/zinc/29/44/28/1427294428.db2.gz ZMEAOOJXKMNJPZ-AEFFLSMTSA-N 2 2 348.535 3.189 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001731354110 1427294429 /nfs/dbraw/zinc/29/44/29/1427294429.db2.gz ZMEAOOJXKMNJPZ-AEFFLSMTSA-N 2 2 348.535 3.189 10 0 EGAELP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001731376088 1427309740 /nfs/dbraw/zinc/30/97/40/1427309740.db2.gz ATZSCMXTMIGFEH-SHCNBLLESA-N 2 2 344.503 3.059 10 0 EGAELP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001731376088 1427309742 /nfs/dbraw/zinc/30/97/42/1427309742.db2.gz ATZSCMXTMIGFEH-SHCNBLLESA-N 2 2 344.503 3.059 10 0 EGAELP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001731488908 1427463514 /nfs/dbraw/zinc/46/35/14/1427463514.db2.gz VRLCOZXEKBEZLT-OQIJWPOYSA-N 2 2 340.471 3.222 10 0 EGAELP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001731523274 1427511571 /nfs/dbraw/zinc/51/15/71/1427511571.db2.gz MFXFELVQQLLRFG-ROUUACIJSA-N 2 2 334.508 3.099 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)C)c[nH+]1 ZINC001731548133 1427565541 /nfs/dbraw/zinc/56/55/41/1427565541.db2.gz OOCUMEXTXHTLNH-SFHVURJKSA-N 2 2 348.535 3.334 10 0 EGAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+][C@H]3CCc4ccccc43)ccn12 ZINC001731592403 1427634382 /nfs/dbraw/zinc/63/43/82/1427634382.db2.gz QNYNOJNWHFKDBV-KUHUBIRLSA-N 2 2 348.450 3.038 10 0 EGAELP Cc1cccn2cc(CC(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001731624332 1427674614 /nfs/dbraw/zinc/67/46/14/1427674614.db2.gz URQRUFYDRNIUCL-INIZCTEOSA-N 2 2 344.503 3.106 10 0 EGAELP CC[N@H+](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)CCC(C)(C)C ZINC001731811865 1427995534 /nfs/dbraw/zinc/99/55/34/1427995534.db2.gz RPSLFZGPNVGTIO-UHFFFAOYSA-N 2 2 344.503 3.060 10 0 EGAELP CC[N@@H+](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)CCC(C)(C)C ZINC001731811865 1427995539 /nfs/dbraw/zinc/99/55/39/1427995539.db2.gz RPSLFZGPNVGTIO-UHFFFAOYSA-N 2 2 344.503 3.060 10 0 EGAELP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001731959169 1428183697 /nfs/dbraw/zinc/18/36/97/1428183697.db2.gz JLBOCERIHUILHQ-SFHVURJKSA-N 2 2 342.487 3.008 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001734013520 1437804918 /nfs/dbraw/zinc/80/49/18/1437804918.db2.gz OQMBICRLMWVERZ-WEFKXODQSA-N 2 2 346.519 3.304 10 0 EGAELP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001734013520 1437804921 /nfs/dbraw/zinc/80/49/21/1437804921.db2.gz OQMBICRLMWVERZ-WEFKXODQSA-N 2 2 346.519 3.304 10 0 EGAELP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001734509576 1438138142 /nfs/dbraw/zinc/13/81/42/1438138142.db2.gz PEHFFXOQZMEAQY-XZVRFQMRSA-N 2 2 346.519 3.260 10 0 EGAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530121 168369345 /nfs/dbraw/zinc/36/93/45/168369345.db2.gz ISIQGYPORBNCQG-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530121 168369346 /nfs/dbraw/zinc/36/93/46/168369346.db2.gz ISIQGYPORBNCQG-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530121 168369352 /nfs/dbraw/zinc/36/93/52/168369352.db2.gz ISIQGYPORBNCQG-UKAVVXHISA-N 3 2 329.532 3.217 10 0 EGAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000181103350 529899155 /nfs/dbraw/zinc/89/91/55/529899155.db2.gz SOSUCJUGJQEBOZ-MRXNPFEDSA-N 2 2 332.835 3.052 10 0 EGAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000181103350 529899157 /nfs/dbraw/zinc/89/91/57/529899157.db2.gz SOSUCJUGJQEBOZ-MRXNPFEDSA-N 2 2 332.835 3.052 10 0 EGAELP C[C@@H](CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000193903983 240354156 /nfs/dbraw/zinc/35/41/56/240354156.db2.gz PPGWFLLLPUIIMU-IBGZPJMESA-N 2 2 340.515 3.473 10 0 EGAELP C[C@@H](CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000193903983 240354160 /nfs/dbraw/zinc/35/41/60/240354160.db2.gz PPGWFLLLPUIIMU-IBGZPJMESA-N 2 2 340.515 3.473 10 0 EGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cs1 ZINC000193990544 240391011 /nfs/dbraw/zinc/39/10/11/240391011.db2.gz PXMLTQKIBRSCDM-AAEUAGOBSA-N 2 2 347.322 3.008 10 0 EGAELP COc1cc2c(cc1OC)CC[NH+](CCCc1c[nH+]ccc1C)CC2 ZINC000377650034 169054565 /nfs/dbraw/zinc/05/45/65/169054565.db2.gz NECHZGTZJSOTTN-UHFFFAOYSA-N 2 2 340.467 3.441 10 0 EGAELP Cc1oncc1C[NH+]1CCCC2(CCC[N@@H+](Cc3cnoc3C)C2)C1 ZINC000377717410 169067028 /nfs/dbraw/zinc/06/70/28/169067028.db2.gz BYORJTDOZIZJCO-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP Cc1oncc1C[NH+]1CCCC2(CCC[N@H+](Cc3cnoc3C)C2)C1 ZINC000377717410 169067030 /nfs/dbraw/zinc/06/70/30/169067030.db2.gz BYORJTDOZIZJCO-UHFFFAOYSA-N 2 2 344.459 3.158 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000093318759 218213675 /nfs/dbraw/zinc/21/36/75/218213675.db2.gz GCOIHYJYYXLWCG-XLIONFOSSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1cnc2cnccn12 ZINC000093318759 218213676 /nfs/dbraw/zinc/21/36/76/218213676.db2.gz GCOIHYJYYXLWCG-XLIONFOSSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2cnccn12 ZINC000093318759 218213678 /nfs/dbraw/zinc/21/36/78/218213678.db2.gz GCOIHYJYYXLWCG-XLIONFOSSA-N 2 2 349.482 3.072 10 0 EGAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2cnccn12 ZINC000093318759 218213679 /nfs/dbraw/zinc/21/36/79/218213679.db2.gz GCOIHYJYYXLWCG-XLIONFOSSA-N 2 2 349.482 3.072 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000093318704 218213755 /nfs/dbraw/zinc/21/37/55/218213755.db2.gz XUQQMILYKITQNI-JXFKEZNVSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000093318704 218213756 /nfs/dbraw/zinc/21/37/56/218213756.db2.gz XUQQMILYKITQNI-JXFKEZNVSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000093318704 218213758 /nfs/dbraw/zinc/21/37/58/218213758.db2.gz XUQQMILYKITQNI-JXFKEZNVSA-N 2 2 326.488 3.071 10 0 EGAELP Cc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000093318704 218213759 /nfs/dbraw/zinc/21/37/59/218213759.db2.gz XUQQMILYKITQNI-JXFKEZNVSA-N 2 2 326.488 3.071 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@@H+]1C ZINC000093644003 218238891 /nfs/dbraw/zinc/23/88/91/218238891.db2.gz PPVHYHAOIBEGBX-TZMCWYRMSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000093644003 218238894 /nfs/dbraw/zinc/23/88/94/218238894.db2.gz PPVHYHAOIBEGBX-TZMCWYRMSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644003 218238896 /nfs/dbraw/zinc/23/88/96/218238896.db2.gz PPVHYHAOIBEGBX-TZMCWYRMSA-N 2 2 334.414 3.269 10 0 EGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC[NH+]1C ZINC000093644003 218238899 /nfs/dbraw/zinc/23/88/99/218238899.db2.gz PPVHYHAOIBEGBX-TZMCWYRMSA-N 2 2 334.414 3.269 10 0 EGAELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643953 218239281 /nfs/dbraw/zinc/23/92/81/218239281.db2.gz DZKOOQURSTVWKQ-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643953 218239284 /nfs/dbraw/zinc/23/92/84/218239284.db2.gz DZKOOQURSTVWKQ-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643953 218239286 /nfs/dbraw/zinc/23/92/86/218239286.db2.gz DZKOOQURSTVWKQ-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(F)F)c1 ZINC000093643953 218239289 /nfs/dbraw/zinc/23/92/89/218239289.db2.gz DZKOOQURSTVWKQ-OCCSQVGLSA-N 2 2 328.403 3.211 10 0 EGAELP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419942 218360803 /nfs/dbraw/zinc/36/08/03/218360803.db2.gz ZAEUEKIXCOSVIT-AWEZNQCLSA-N 2 2 340.402 3.023 10 0 EGAELP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000118977322 221215079 /nfs/dbraw/zinc/21/50/79/221215079.db2.gz HPBCHYZLGJTSGS-GOSISDBHSA-N 2 2 334.504 3.012 10 0 EGAELP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000246646279 141021219 /nfs/dbraw/zinc/02/12/19/141021219.db2.gz IJTMNXMPOAXXCE-NEWSRXKRSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000246646279 141021223 /nfs/dbraw/zinc/02/12/23/141021223.db2.gz IJTMNXMPOAXXCE-NEWSRXKRSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246646279 141021228 /nfs/dbraw/zinc/02/12/28/141021228.db2.gz IJTMNXMPOAXXCE-NEWSRXKRSA-N 2 2 331.504 3.059 10 0 EGAELP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246646279 141021236 /nfs/dbraw/zinc/02/12/36/141021236.db2.gz IJTMNXMPOAXXCE-NEWSRXKRSA-N 2 2 331.504 3.059 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000246711948 141027789 /nfs/dbraw/zinc/02/77/89/141027789.db2.gz KJPBRTRTKWFXNS-DLBZAZTESA-N 2 2 333.863 3.469 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000246711948 141027792 /nfs/dbraw/zinc/02/77/92/141027792.db2.gz KJPBRTRTKWFXNS-DLBZAZTESA-N 2 2 333.863 3.469 10 0 EGAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246906953 141042951 /nfs/dbraw/zinc/04/29/51/141042951.db2.gz KDTWHMLNARDOPG-IAGOWNOFSA-N 2 2 348.535 3.135 10 0 EGAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246906953 141042954 /nfs/dbraw/zinc/04/29/54/141042954.db2.gz KDTWHMLNARDOPG-IAGOWNOFSA-N 2 2 348.535 3.135 10 0 EGAELP Cc1cnc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)s1 ZINC000346202408 141179429 /nfs/dbraw/zinc/17/94/29/141179429.db2.gz ISMQMTBUDNYIQZ-UHFFFAOYSA-N 2 2 345.497 3.021 10 0 EGAELP FC(F)(F)CN1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346222483 141184026 /nfs/dbraw/zinc/18/40/26/141184026.db2.gz SVRHTAKFQBGAPB-UHFFFAOYSA-N 2 2 344.406 3.004 10 0 EGAELP FC(F)(F)CN1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346222483 141184027 /nfs/dbraw/zinc/18/40/27/141184027.db2.gz SVRHTAKFQBGAPB-UHFFFAOYSA-N 2 2 344.406 3.004 10 0 EGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462277 141199794 /nfs/dbraw/zinc/19/97/94/141199794.db2.gz OTWQRMKZKLLZGC-AUUYWEPGSA-N 2 2 331.410 3.381 10 0 EGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000346462277 141199797 /nfs/dbraw/zinc/19/97/97/141199797.db2.gz OTWQRMKZKLLZGC-AUUYWEPGSA-N 2 2 331.410 3.381 10 0 EGAELP Cc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000350728401 141263012 /nfs/dbraw/zinc/26/30/12/141263012.db2.gz INJYMOUETNDEDL-YQQAZPJKSA-N 2 2 339.487 3.047 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000344684342 144209254 /nfs/dbraw/zinc/20/92/54/144209254.db2.gz XMCGMSUFVHBALZ-PXNSSMCTSA-N 2 2 339.483 3.133 10 0 EGAELP COc1cccc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000344684342 144209255 /nfs/dbraw/zinc/20/92/55/144209255.db2.gz XMCGMSUFVHBALZ-PXNSSMCTSA-N 2 2 339.483 3.133 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000344697139 144211117 /nfs/dbraw/zinc/21/11/17/144211117.db2.gz BMFLIKUJNRBYDJ-QRQLOZEOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000344697139 144211119 /nfs/dbraw/zinc/21/11/19/144211119.db2.gz BMFLIKUJNRBYDJ-QRQLOZEOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344697139 144211121 /nfs/dbraw/zinc/21/11/21/144211121.db2.gz BMFLIKUJNRBYDJ-QRQLOZEOSA-N 2 2 330.472 3.067 10 0 EGAELP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344697139 144211123 /nfs/dbraw/zinc/21/11/23/144211123.db2.gz BMFLIKUJNRBYDJ-QRQLOZEOSA-N 2 2 330.472 3.067 10 0 EGAELP CCC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCCC1 ZINC000341292897 155229073 /nfs/dbraw/zinc/22/90/73/155229073.db2.gz YTFIDJIWXBRHKW-QZTJIDSGSA-N 2 2 346.519 3.250 10 0 EGAELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378541 154321620 /nfs/dbraw/zinc/32/16/20/154321620.db2.gz BVFCCSKJIDMCRY-LPHOPBHVSA-N 2 2 334.508 3.006 10 0 EGAELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)C1 ZINC000337378541 154321624 /nfs/dbraw/zinc/32/16/24/154321624.db2.gz BVFCCSKJIDMCRY-LPHOPBHVSA-N 2 2 334.508 3.006 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337416979 154343456 /nfs/dbraw/zinc/34/34/56/154343456.db2.gz ZWEJJSQXYQUNSB-ZACQAIPSSA-N 2 2 334.508 3.148 10 0 EGAELP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460248 154364085 /nfs/dbraw/zinc/36/40/85/154364085.db2.gz ZKWIVRXVPMSVCQ-CABCVRRESA-N 2 2 333.476 3.129 10 0 EGAELP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337460248 154364087 /nfs/dbraw/zinc/36/40/87/154364087.db2.gz ZKWIVRXVPMSVCQ-CABCVRRESA-N 2 2 333.476 3.129 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337492055 154379519 /nfs/dbraw/zinc/37/95/19/154379519.db2.gz OPDFEAGAEZHYST-DOTOQJQBSA-N 2 2 333.476 3.131 10 0 EGAELP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 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[NH3+][C@H]1CCC[C@H]1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720434 309364965 /nfs/dbraw/zinc/36/49/65/309364965.db2.gz ZOEDQZUAZFQMDZ-DLBZAZTESA-N 2 2 341.421 3.139 10 0 EGAELP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720434 309364966 /nfs/dbraw/zinc/36/49/66/309364966.db2.gz ZOEDQZUAZFQMDZ-DLBZAZTESA-N 2 2 341.421 3.139 10 0 EGAELP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000422726632 309365415 /nfs/dbraw/zinc/36/54/15/309365415.db2.gz FQJXDDAVGDCPIJ-MRXNPFEDSA-N 3 2 338.499 3.164 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422752891 309366588 /nfs/dbraw/zinc/36/65/88/309366588.db2.gz HSQXUZXJLJLPMS-CQSZACIVSA-N 3 2 337.471 3.248 10 0 EGAELP COc1ccc([C@H]([NH2+]C[C@H]2Cc3ccccc3O2)[C@H]2CCC[NH2+]2)cc1 ZINC000422805193 309369421 /nfs/dbraw/zinc/36/94/21/309369421.db2.gz IRWYESQNSOKMGH-SBHAEUEKSA-N 2 2 338.451 3.082 10 0 EGAELP c1cc(OC2CCCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422855124 309372173 /nfs/dbraw/zinc/37/21/73/309372173.db2.gz UWFJEKIRXXTFLQ-SFTDATJTSA-N 2 2 344.499 3.255 10 0 EGAELP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422875248 309373326 /nfs/dbraw/zinc/37/33/26/309373326.db2.gz ORGJZWVOEXBCGU-BEVDRBHNSA-N 2 2 332.488 3.029 10 0 EGAELP CCc1nc(CC[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cs1 ZINC000422905602 309375549 /nfs/dbraw/zinc/37/55/49/309375549.db2.gz SOKWAZQJJLKUGA-HKUYNNGSSA-N 2 2 345.512 3.340 10 0 EGAELP CC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016377 309381165 /nfs/dbraw/zinc/38/11/65/309381165.db2.gz MNENGYHBTDTKRG-PBZHRCKQSA-N 2 2 339.886 3.345 10 0 EGAELP CC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016377 309381166 /nfs/dbraw/zinc/38/11/66/309381166.db2.gz MNENGYHBTDTKRG-PBZHRCKQSA-N 2 2 339.886 3.345 10 0 EGAELP CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016377 309381167 /nfs/dbraw/zinc/38/11/67/309381167.db2.gz MNENGYHBTDTKRG-PBZHRCKQSA-N 2 2 339.886 3.345 10 0 EGAELP COc1ccc([C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423104122 309386081 /nfs/dbraw/zinc/38/60/81/309386081.db2.gz GRCMPVQGWOQAJV-CABCVRRESA-N 2 2 328.378 3.420 10 0 EGAELP COc1ccc([C@@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423143426 309388090 /nfs/dbraw/zinc/38/80/90/309388090.db2.gz DAYRLGIXLMHZIQ-VQTJNVASSA-N 2 2 332.488 3.285 10 0 EGAELP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000423160441 309388859 /nfs/dbraw/zinc/38/88/59/309388859.db2.gz HGWMMBXLTNJMLS-BVBHFADKSA-N 2 2 334.891 3.333 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423161322 309388867 /nfs/dbraw/zinc/38/88/67/309388867.db2.gz IYEKLUZDYWSYRV-RBUKOAKNSA-N 2 2 346.515 3.409 10 0 EGAELP COCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423167569 309389094 /nfs/dbraw/zinc/38/90/94/309389094.db2.gz SJPZBAULXCLXAN-RBUKOAKNSA-N 2 2 332.488 3.285 10 0 EGAELP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423196519 309390171 /nfs/dbraw/zinc/39/01/71/309390171.db2.gz ZXCNCBVOAJALJZ-QXCFHYIPSA-N 2 2 334.891 3.333 10 0 EGAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000423223982 309391156 /nfs/dbraw/zinc/39/11/56/309391156.db2.gz BEYMLWPFGVTMOO-LBPRGKRZSA-N 2 2 334.826 3.457 10 0 EGAELP COc1ccc(Cl)cc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423223996 309391274 /nfs/dbraw/zinc/39/12/74/309391274.db2.gz BFUYYUODEJJHLN-CYBMUJFWSA-N 2 2 346.862 3.326 10 0 EGAELP Cc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423229455 309391330 /nfs/dbraw/zinc/39/13/30/309391330.db2.gz HASSBISGPJDNBE-SFHVURJKSA-N 2 2 338.455 3.125 10 0 EGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3Cn3cc[nH+]c3)C[C@H]2C1 ZINC000424268165 309435178 /nfs/dbraw/zinc/43/51/78/309435178.db2.gz ZISUXKUPHDMGIT-AVCFWEGKSA-N 2 2 325.456 3.225 10 0 EGAELP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435001842 309724028 /nfs/dbraw/zinc/72/40/28/309724028.db2.gz WOJHNYBCAIUQIE-OAHLLOKOSA-N 2 2 340.471 3.029 10 0 EGAELP COc1cccc2c(N3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)cc[nH+]c12 ZINC000440641378 309853491 /nfs/dbraw/zinc/85/34/91/309853491.db2.gz ABCZZYHZVFTTSY-AEFFLSMTSA-N 2 2 343.496 3.259 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000449028118 310030603 /nfs/dbraw/zinc/03/06/03/310030603.db2.gz KFEVMEFRAHFJOM-KBXCAEBGSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449028118 310030604 /nfs/dbraw/zinc/03/06/04/310030604.db2.gz KFEVMEFRAHFJOM-KBXCAEBGSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028118 310030605 /nfs/dbraw/zinc/03/06/05/310030605.db2.gz KFEVMEFRAHFJOM-KBXCAEBGSA-N 2 2 330.451 3.141 10 0 EGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000449028118 310030606 /nfs/dbraw/zinc/03/06/06/310030606.db2.gz KFEVMEFRAHFJOM-KBXCAEBGSA-N 2 2 330.451 3.141 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449113736 310037970 /nfs/dbraw/zinc/03/79/70/310037970.db2.gz BFBIBNGPWPPNAC-GOSISDBHSA-N 2 2 328.456 3.049 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449113736 310037971 /nfs/dbraw/zinc/03/79/71/310037971.db2.gz BFBIBNGPWPPNAC-GOSISDBHSA-N 2 2 328.456 3.049 10 0 EGAELP CCc1nnc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449203766 310044371 /nfs/dbraw/zinc/04/43/71/310044371.db2.gz KWDRZVWKBVBKSG-HOTGVXAUSA-N 2 2 341.503 3.113 10 0 EGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000449247576 310047420 /nfs/dbraw/zinc/04/74/20/310047420.db2.gz GQCVXJKKOAUSGG-OXJNMPFZSA-N 2 2 344.524 3.467 10 0 EGAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000449257546 310048090 /nfs/dbraw/zinc/04/80/90/310048090.db2.gz IZBPVEQUNUIYPS-QGZVFWFLSA-N 3 2 332.536 3.467 10 0 EGAELP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449416626 310060050 /nfs/dbraw/zinc/06/00/50/310060050.db2.gz UWGMCIPXJLEQBN-MSOLQXFVSA-N 2 2 327.428 3.084 10 0 EGAELP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000449492881 310066700 /nfs/dbraw/zinc/06/67/00/310066700.db2.gz KIBGYMBTIBTBIM-AZUAARDMSA-N 2 2 331.504 3.087 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000449671295 310079638 /nfs/dbraw/zinc/07/96/38/310079638.db2.gz ZHRSXIFQAQRFIH-AWEZNQCLSA-N 2 2 329.410 3.139 10 0 EGAELP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000449671295 310079639 /nfs/dbraw/zinc/07/96/39/310079639.db2.gz ZHRSXIFQAQRFIH-AWEZNQCLSA-N 2 2 329.410 3.139 10 0 EGAELP CCCc1ccc2[nH+]ccc(N3CCN(Cc4[nH+]ccn4C)CC3)c2c1 ZINC000450320208 310115299 /nfs/dbraw/zinc/11/52/99/310115299.db2.gz UNGNTEKZINAFTL-UHFFFAOYSA-N 2 2 349.482 3.243 10 0 EGAELP CCCc1ccc2[nH+]ccc(N3CC[NH+](Cc4nccn4C)CC3)c2c1 ZINC000450320208 310115300 /nfs/dbraw/zinc/11/53/00/310115300.db2.gz UNGNTEKZINAFTL-UHFFFAOYSA-N 2 2 349.482 3.243 10 0 EGAELP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078330 310256419 /nfs/dbraw/zinc/25/64/19/310256419.db2.gz CLHJXUFBZJPYSN-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453078330 310256420 /nfs/dbraw/zinc/25/64/20/310256420.db2.gz CLHJXUFBZJPYSN-DLBZAZTESA-N 2 2 326.488 3.470 10 0 EGAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2cnccn2)c(C)c1 ZINC000453162046 310261646 /nfs/dbraw/zinc/26/16/46/310261646.db2.gz BSLQPCZQFYIYGT-FXAWDEMLSA-N 2 2 335.455 3.252 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccccc1OC(F)(F)F ZINC000453259773 310267456 /nfs/dbraw/zinc/26/74/56/310267456.db2.gz IMBSMXLBFDROOC-ZIAGYGMSSA-N 2 2 346.393 3.083 10 0 EGAELP Cc1cc(C)c(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)c(C)[nH+]1 ZINC000455534472 310365569 /nfs/dbraw/zinc/36/55/69/310365569.db2.gz UXCSCDRDXXXBHI-UHFFFAOYSA-N 2 2 339.443 3.064 10 0 EGAELP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459660448 310566986 /nfs/dbraw/zinc/56/69/86/310566986.db2.gz OIYREZRTZBHBOW-OXQOHEQNSA-N 3 2 326.488 3.467 10 0 EGAELP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)CC(C)C ZINC000480432777 310894553 /nfs/dbraw/zinc/89/45/53/310894553.db2.gz NEOGZIVVQPWUHU-GOSISDBHSA-N 2 2 341.503 3.437 10 0 EGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516614 311260284 /nfs/dbraw/zinc/26/02/84/311260284.db2.gz VRZCGMOGLWRPDF-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000492516614 311260285 /nfs/dbraw/zinc/26/02/85/311260285.db2.gz VRZCGMOGLWRPDF-CJNGLKHVSA-N 2 2 337.305 3.411 10 0 EGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510653652 312145757 /nfs/dbraw/zinc/14/57/57/312145757.db2.gz SPWYXJNBHBSKGE-LEWJYISDSA-N 2 2 327.516 3.367 10 0 EGAELP COC(=O)[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000513458732 312211289 /nfs/dbraw/zinc/21/12/89/312211289.db2.gz TZVBJLRKUBGNON-YRNRMSPPSA-N 2 2 344.499 3.206 10 0 EGAELP COC(=O)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000513458732 312211292 /nfs/dbraw/zinc/21/12/92/312211292.db2.gz TZVBJLRKUBGNON-YRNRMSPPSA-N 2 2 344.499 3.206 10 0 EGAELP CCOc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)cc1OC ZINC000527648261 312897733 /nfs/dbraw/zinc/89/77/33/312897733.db2.gz HLCONEGFYWJMCN-UHFFFAOYSA-N 2 2 336.451 3.340 10 0 EGAELP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)COc2ccccc2O1 ZINC000527733834 312927001 /nfs/dbraw/zinc/92/70/01/312927001.db2.gz GXZMOKVNQIVYQF-FQEVSTJZSA-N 2 2 335.407 3.192 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1)C[NH+]1CCCC1 ZINC000527846012 312956288 /nfs/dbraw/zinc/95/62/88/312956288.db2.gz DOUJYPYWTVCMCH-IAGOWNOFSA-N 2 2 326.488 3.470 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015034 313000462 /nfs/dbraw/zinc/00/04/62/313000462.db2.gz WQQJOSAYPHXKEM-WMLDXEAASA-N 2 2 348.487 3.380 10 0 EGAELP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(OC)c1OC ZINC000528015034 313000466 /nfs/dbraw/zinc/00/04/66/313000466.db2.gz WQQJOSAYPHXKEM-WMLDXEAASA-N 2 2 348.487 3.380 10 0 EGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381909 313079380 /nfs/dbraw/zinc/07/93/80/313079380.db2.gz OJAUHPAMQNCHDW-WMZOPIPTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(CO)ccc2F)C1 ZINC000528381909 313079383 /nfs/dbraw/zinc/07/93/83/313079383.db2.gz OJAUHPAMQNCHDW-WMZOPIPTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381909 313079387 /nfs/dbraw/zinc/07/93/87/313079387.db2.gz OJAUHPAMQNCHDW-WMZOPIPTSA-N 2 2 334.479 3.404 10 0 EGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528381909 313079389 /nfs/dbraw/zinc/07/93/89/313079389.db2.gz OJAUHPAMQNCHDW-WMZOPIPTSA-N 2 2 334.479 3.404 10 0 EGAELP C[N@@H+](Cc1cc(CO)ccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528393863 313082066 /nfs/dbraw/zinc/08/20/66/313082066.db2.gz KDPAREAFTORJMC-LJQANCHMSA-N 2 2 342.458 3.272 10 0 EGAELP C[N@H+](Cc1cc(CO)ccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528393863 313082069 /nfs/dbraw/zinc/08/20/69/313082069.db2.gz KDPAREAFTORJMC-LJQANCHMSA-N 2 2 342.458 3.272 10 0 EGAELP C[NH+](Cc1cc(CO)ccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528393863 313082072 /nfs/dbraw/zinc/08/20/72/313082072.db2.gz KDPAREAFTORJMC-LJQANCHMSA-N 2 2 342.458 3.272 10 0 EGAELP C[NH+](Cc1cc(CO)ccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528393863 313082075 /nfs/dbraw/zinc/08/20/75/313082075.db2.gz KDPAREAFTORJMC-LJQANCHMSA-N 2 2 342.458 3.272 10 0 EGAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529533948 313347343 /nfs/dbraw/zinc/34/73/43/313347343.db2.gz NBCNSIDDVLUDHX-INIZCTEOSA-N 2 2 337.458 3.222 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533353 313347425 /nfs/dbraw/zinc/34/74/25/313347425.db2.gz VMYURXGILCEGFW-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533353 313347428 /nfs/dbraw/zinc/34/74/28/313347428.db2.gz VMYURXGILCEGFW-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533353 313347430 /nfs/dbraw/zinc/34/74/30/313347430.db2.gz VMYURXGILCEGFW-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000529533353 313347433 /nfs/dbraw/zinc/34/74/33/313347433.db2.gz VMYURXGILCEGFW-HNNXBMFYSA-N 2 2 338.467 3.397 10 0 EGAELP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(F)cc1OC ZINC000529589032 313363310 /nfs/dbraw/zinc/36/33/10/313363310.db2.gz MYIVTTFPKRMJTN-IBGZPJMESA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(F)cc1OC ZINC000529589032 313363313 /nfs/dbraw/zinc/36/33/13/313363313.db2.gz MYIVTTFPKRMJTN-IBGZPJMESA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1OC ZINC000529589032 313363316 /nfs/dbraw/zinc/36/33/16/313363316.db2.gz MYIVTTFPKRMJTN-IBGZPJMESA-N 2 2 336.451 3.151 10 0 EGAELP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(F)cc1OC ZINC000529589032 313363318 /nfs/dbraw/zinc/36/33/18/313363318.db2.gz MYIVTTFPKRMJTN-IBGZPJMESA-N 2 2 336.451 3.151 10 0 EGAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000546623045 314839680 /nfs/dbraw/zinc/83/96/80/314839680.db2.gz AXLKOXKSSBERBN-QGZVFWFLSA-N 2 2 332.488 3.106 10 0 EGAELP c1cn(CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000548817893 315051529 /nfs/dbraw/zinc/05/15/29/315051529.db2.gz OUUBRVATTGDOQE-WKCHPHFGSA-N 3 2 338.499 3.449 10 0 EGAELP c1cn(CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000548817893 315051531 /nfs/dbraw/zinc/05/15/31/315051531.db2.gz OUUBRVATTGDOQE-WKCHPHFGSA-N 3 2 338.499 3.449 10 0 EGAELP CC1CC[NH+](Cc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000553342464 315259237 /nfs/dbraw/zinc/25/92/37/315259237.db2.gz RDHADRVPCMKELD-UHFFFAOYSA-N 2 2 329.488 3.199 10 0 EGAELP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000554051465 315295318 /nfs/dbraw/zinc/29/53/18/315295318.db2.gz YCLZLXLZPGNKCG-RTBURBONSA-N 2 2 346.515 3.312 10 0 EGAELP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000563895568 316087722 /nfs/dbraw/zinc/08/77/22/316087722.db2.gz VLKPWRNUTOYMJB-OAHLLOKOSA-N 2 2 343.446 3.059 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000565900364 316386232 /nfs/dbraw/zinc/38/62/32/316386232.db2.gz KAAHTIWHUIURPI-KRWDZBQOSA-N 2 2 342.487 3.068 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000565900364 316386235 /nfs/dbraw/zinc/38/62/35/316386235.db2.gz KAAHTIWHUIURPI-KRWDZBQOSA-N 2 2 342.487 3.068 10 0 EGAELP C[C@H](c1ccccc1Cl)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000571057755 317146323 /nfs/dbraw/zinc/14/63/23/317146323.db2.gz FVUWCOFLIQELDJ-MRXNPFEDSA-N 2 2 346.906 3.385 10 0 EGAELP Cc1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc(C)c1O ZINC000572513173 317350298 /nfs/dbraw/zinc/35/02/98/317350298.db2.gz GBMGCKDNSLGOPL-UHFFFAOYSA-N 2 2 334.529 3.460 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000572734878 317384872 /nfs/dbraw/zinc/38/48/72/317384872.db2.gz MPFUYVBLTAYMPG-UHFFFAOYSA-N 2 2 346.862 3.136 10 0 EGAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000572734878 317384875 /nfs/dbraw/zinc/38/48/75/317384875.db2.gz MPFUYVBLTAYMPG-UHFFFAOYSA-N 2 2 346.862 3.136 10 0 EGAELP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000574501595 317605247 /nfs/dbraw/zinc/60/52/47/317605247.db2.gz QVYVAXTWSBVXHQ-QRFRQXIXSA-N 2 2 347.466 3.411 10 0 EGAELP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000177357796 323339497 /nfs/dbraw/zinc/33/94/97/323339497.db2.gz GRURDSNXXPEWFT-ZIAGYGMSSA-N 2 2 341.293 3.068 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006903 325049323 /nfs/dbraw/zinc/04/93/23/325049323.db2.gz RUZYGKJXWXTQHW-AEFFLSMTSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006903 325049327 /nfs/dbraw/zinc/04/93/27/325049327.db2.gz RUZYGKJXWXTQHW-AEFFLSMTSA-N 2 2 343.515 3.076 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000580183106 325214463 /nfs/dbraw/zinc/21/44/63/325214463.db2.gz TWEJUAJYAIVKLN-OXQOHEQNSA-N 2 2 331.504 3.138 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581549147 325371041 /nfs/dbraw/zinc/37/10/41/325371041.db2.gz YGNVLELEYJWZIX-OXJNMPFZSA-N 2 2 329.488 3.213 10 0 EGAELP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581549147 325371043 /nfs/dbraw/zinc/37/10/43/325371043.db2.gz YGNVLELEYJWZIX-OXJNMPFZSA-N 2 2 329.488 3.213 10 0 EGAELP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000583242576 325506882 /nfs/dbraw/zinc/50/68/82/325506882.db2.gz VXXQCZAJOVMTAC-UHFFFAOYSA-N 2 2 346.478 3.249 10 0 EGAELP C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661471 455221297 /nfs/dbraw/zinc/22/12/97/455221297.db2.gz LMDIKWCXEFQQBV-CQSZACIVSA-N 2 2 338.386 3.301 10 0 EGAELP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016955 458257048 /nfs/dbraw/zinc/25/70/48/458257048.db2.gz DREPESNDZLGSAV-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016955 458257055 /nfs/dbraw/zinc/25/70/55/458257055.db2.gz DREPESNDZLGSAV-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016955 458257059 /nfs/dbraw/zinc/25/70/59/458257059.db2.gz DREPESNDZLGSAV-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000429016955 458257062 /nfs/dbraw/zinc/25/70/62/458257062.db2.gz DREPESNDZLGSAV-INIZCTEOSA-N 2 2 329.271 3.400 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469955 460565729 /nfs/dbraw/zinc/56/57/29/460565729.db2.gz XXALOAFXSFPCOS-QFBILLFUSA-N 3 2 330.520 3.069 10 0 EGAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623469955 460565734 /nfs/dbraw/zinc/56/57/34/460565734.db2.gz XXALOAFXSFPCOS-QFBILLFUSA-N 3 2 330.520 3.069 10 0 EGAELP CC(C)Oc1cc(Cl)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000623470802 460567304 /nfs/dbraw/zinc/56/73/04/460567304.db2.gz CIDBHEFIRTWJGD-INIZCTEOSA-N 2 2 349.302 3.183 10 0 EGAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600712927 460575100 /nfs/dbraw/zinc/57/51/00/460575100.db2.gz ZPLNORRGAOZVTH-DZGCQCFKSA-N 2 2 332.444 3.016 10 0 EGAELP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C12CCC2 ZINC000181480011 455341066 /nfs/dbraw/zinc/34/10/66/455341066.db2.gz VGBTUYULQDYBRF-MOPGFXCFSA-N 2 2 325.456 3.369 10 0 EGAELP Clc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1OCCCO2 ZINC000631888343 460589763 /nfs/dbraw/zinc/58/97/63/460589763.db2.gz YCCWRLUWSCVKPY-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP Clc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1OCCCO2 ZINC000631888343 460589766 /nfs/dbraw/zinc/58/97/66/460589766.db2.gz YCCWRLUWSCVKPY-ZBFHGGJFSA-N 2 2 336.863 3.075 10 0 EGAELP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)on2)cc1 ZINC000623564533 460615298 /nfs/dbraw/zinc/61/52/98/460615298.db2.gz IAVRRVOVAXQBDP-HNNXBMFYSA-N 2 2 329.444 3.313 10 0 EGAELP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)on2)cc1 ZINC000623564533 460615304 /nfs/dbraw/zinc/61/53/04/460615304.db2.gz IAVRRVOVAXQBDP-HNNXBMFYSA-N 2 2 329.444 3.313 10 0 EGAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000075669259 453915440 /nfs/dbraw/zinc/91/54/40/453915440.db2.gz FCDNUZNNZXGGLG-UHFFFAOYSA-N 2 2 332.879 3.326 10 0 EGAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000075669259 453915443 /nfs/dbraw/zinc/91/54/43/453915443.db2.gz FCDNUZNNZXGGLG-UHFFFAOYSA-N 2 2 332.879 3.326 10 0 EGAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000040672951 453954055 /nfs/dbraw/zinc/95/40/55/453954055.db2.gz SMRUJWXOVCPGCE-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000040672951 453954057 /nfs/dbraw/zinc/95/40/57/453954057.db2.gz SMRUJWXOVCPGCE-FZMZJTMJSA-N 2 2 344.240 3.036 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000086247917 454045293 /nfs/dbraw/zinc/04/52/93/454045293.db2.gz YWZJDNFLDFGLSD-CQSZACIVSA-N 2 2 345.406 3.319 10 0 EGAELP Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000057826906 454149527 /nfs/dbraw/zinc/14/95/27/454149527.db2.gz LTZJTKFNHQFXRL-HOCLYGCPSA-N 2 2 325.460 3.379 10 0 EGAELP Cc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000057826906 454149528 /nfs/dbraw/zinc/14/95/28/454149528.db2.gz LTZJTKFNHQFXRL-HOCLYGCPSA-N 2 2 325.460 3.379 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069919689 454157088 /nfs/dbraw/zinc/15/70/88/454157088.db2.gz PMWKGVXHDMEGAA-SFHVURJKSA-N 2 2 349.438 3.109 10 0 EGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069919686 454157589 /nfs/dbraw/zinc/15/75/89/454157589.db2.gz PMWKGVXHDMEGAA-GOSISDBHSA-N 2 2 349.438 3.109 10 0 EGAELP O=C(NC1CCCCC1)C1CC[NH+](CC[NH2+]C2CCCCC2)CC1 ZINC000070011939 454163920 /nfs/dbraw/zinc/16/39/20/454163920.db2.gz MJYLPCUSWINTSE-UHFFFAOYSA-N 2 2 335.536 3.070 10 0 EGAELP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCn3cc(C(C)(C)C)[nH+]c32)s1 ZINC000089725153 454183503 /nfs/dbraw/zinc/18/35/03/454183503.db2.gz WAWMHMGSXZDRDW-ZDUSSCGKSA-N 2 2 347.532 3.370 10 0 EGAELP Clc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc2c1OCCCO2 ZINC000089884726 454226066 /nfs/dbraw/zinc/22/60/66/454226066.db2.gz OLCXFWVAMVWXAX-AWEZNQCLSA-N 2 2 347.846 3.365 10 0 EGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305279 454293041 /nfs/dbraw/zinc/29/30/41/454293041.db2.gz VCPMEKQIIVTWCQ-JKSUJKDBSA-N 2 2 327.472 3.321 10 0 EGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305279 454293046 /nfs/dbraw/zinc/29/30/46/454293046.db2.gz VCPMEKQIIVTWCQ-JKSUJKDBSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305279 454293048 /nfs/dbraw/zinc/29/30/48/454293048.db2.gz VCPMEKQIIVTWCQ-JKSUJKDBSA-N 2 2 327.472 3.321 10 0 EGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000072305279 454293053 /nfs/dbraw/zinc/29/30/53/454293053.db2.gz VCPMEKQIIVTWCQ-JKSUJKDBSA-N 2 2 327.472 3.321 10 0 EGAELP COc1cccc2c(NCCCC[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000121441015 454435443 /nfs/dbraw/zinc/43/54/43/454435443.db2.gz CSJZAZJJLVNWLX-UHFFFAOYSA-N 2 2 329.444 3.076 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123110455 454603468 /nfs/dbraw/zinc/60/34/68/454603468.db2.gz ZVQTVNDQJSPJJC-KRWDZBQOSA-N 2 2 327.428 3.208 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123110455 454603474 /nfs/dbraw/zinc/60/34/74/454603474.db2.gz ZVQTVNDQJSPJJC-KRWDZBQOSA-N 2 2 327.428 3.208 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959896 454656946 /nfs/dbraw/zinc/65/69/46/454656946.db2.gz BFYKUBWYDDYHGZ-QGZVFWFLSA-N 2 2 340.471 3.353 10 0 EGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959896 454656951 /nfs/dbraw/zinc/65/69/51/454656951.db2.gz BFYKUBWYDDYHGZ-QGZVFWFLSA-N 2 2 340.471 3.353 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095935 454685182 /nfs/dbraw/zinc/68/51/82/454685182.db2.gz KUPUHBCITXLRBW-YOEHRIQHSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095935 454685187 /nfs/dbraw/zinc/68/51/87/454685187.db2.gz KUPUHBCITXLRBW-YOEHRIQHSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000081095935 454685189 /nfs/dbraw/zinc/68/51/89/454685189.db2.gz KUPUHBCITXLRBW-YOEHRIQHSA-N 2 2 332.467 3.357 10 0 EGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000081095935 454685194 /nfs/dbraw/zinc/68/51/94/454685194.db2.gz KUPUHBCITXLRBW-YOEHRIQHSA-N 2 2 332.467 3.357 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000106214337 454686791 /nfs/dbraw/zinc/68/67/91/454686791.db2.gz FYJOMVPPRGTHIH-KRWDZBQOSA-N 2 2 327.428 3.069 10 0 EGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000106214337 454686795 /nfs/dbraw/zinc/68/67/95/454686795.db2.gz FYJOMVPPRGTHIH-KRWDZBQOSA-N 2 2 327.428 3.069 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000153237685 454773769 /nfs/dbraw/zinc/77/37/69/454773769.db2.gz ZOTSPMADYGCSOW-UONOGXRCSA-N 2 2 330.394 3.324 10 0 EGAELP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357683 454855606 /nfs/dbraw/zinc/85/56/06/454855606.db2.gz AZRPPPSAWUAFSD-WOJBJXKFSA-N 2 2 348.450 3.355 10 0 EGAELP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000177357683 454855608 /nfs/dbraw/zinc/85/56/08/454855608.db2.gz AZRPPPSAWUAFSD-WOJBJXKFSA-N 2 2 348.450 3.355 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154656023 454916615 /nfs/dbraw/zinc/91/66/15/454916615.db2.gz GKVMOPAUPYMRDC-YPMHNXCESA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154656023 454916620 /nfs/dbraw/zinc/91/66/20/454916620.db2.gz GKVMOPAUPYMRDC-YPMHNXCESA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154552561 454907368 /nfs/dbraw/zinc/90/73/68/454907368.db2.gz DYEWRLMEDKXOAV-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154552561 454907369 /nfs/dbraw/zinc/90/73/69/454907369.db2.gz DYEWRLMEDKXOAV-BXUZGUMPSA-N 2 2 329.257 3.203 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246472064 455496718 /nfs/dbraw/zinc/49/67/18/455496718.db2.gz OMTQVUOBPUPGLT-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246472064 455496722 /nfs/dbraw/zinc/49/67/22/455496722.db2.gz OMTQVUOBPUPGLT-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246472064 455496726 /nfs/dbraw/zinc/49/67/26/455496726.db2.gz OMTQVUOBPUPGLT-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246472064 455496730 /nfs/dbraw/zinc/49/67/30/455496730.db2.gz OMTQVUOBPUPGLT-XJKSGUPXSA-N 2 2 340.414 3.213 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000178754305 454972764 /nfs/dbraw/zinc/97/27/64/454972764.db2.gz OPGYNMIOIOHHGD-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000178754305 454972768 /nfs/dbraw/zinc/97/27/68/454972768.db2.gz OPGYNMIOIOHHGD-OAHLLOKOSA-N 2 2 346.862 3.256 10 0 EGAELP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OC(F)F ZINC000127736618 454992588 /nfs/dbraw/zinc/99/25/88/454992588.db2.gz ADRPESNAOODUQE-UHFFFAOYSA-N 2 2 340.414 3.357 10 0 EGAELP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024251 460660309 /nfs/dbraw/zinc/66/03/09/460660309.db2.gz VEDRBQHSWAUMGC-HWPVKAJDSA-N 3 2 327.516 3.304 10 0 EGAELP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024251 460660311 /nfs/dbraw/zinc/66/03/11/460660311.db2.gz VEDRBQHSWAUMGC-HWPVKAJDSA-N 3 2 327.516 3.304 10 0 EGAELP Cc1cn2c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000180130900 455137064 /nfs/dbraw/zinc/13/70/64/455137064.db2.gz FBRNGEOGZGEXQI-HNNXBMFYSA-N 2 2 329.473 3.182 10 0 EGAELP Cc1cn2c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000180130900 455137067 /nfs/dbraw/zinc/13/70/67/455137067.db2.gz FBRNGEOGZGEXQI-HNNXBMFYSA-N 2 2 329.473 3.182 10 0 EGAELP C[C@H]1CCCN(c2cc(N3CCC[N@@H+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000172373277 455149519 /nfs/dbraw/zinc/14/95/19/455149519.db2.gz YGTKGGLLSJSHBX-KRWDZBQOSA-N 2 2 343.519 3.168 10 0 EGAELP C[C@H]1CCCN(c2cc(N3CCC[N@H+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000172373277 455149521 /nfs/dbraw/zinc/14/95/21/455149521.db2.gz YGTKGGLLSJSHBX-KRWDZBQOSA-N 2 2 343.519 3.168 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415290 455292202 /nfs/dbraw/zinc/29/22/02/455292202.db2.gz DDFMTYWTWMXVBB-HFSMHLIXSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415290 455292207 /nfs/dbraw/zinc/29/22/07/455292207.db2.gz DDFMTYWTWMXVBB-HFSMHLIXSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415290 455292211 /nfs/dbraw/zinc/29/22/11/455292211.db2.gz DDFMTYWTWMXVBB-HFSMHLIXSA-N 2 2 345.531 3.162 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000245415290 455292216 /nfs/dbraw/zinc/29/22/16/455292216.db2.gz DDFMTYWTWMXVBB-HFSMHLIXSA-N 2 2 345.531 3.162 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421045 455294351 /nfs/dbraw/zinc/29/43/51/455294351.db2.gz HUBRWWLGMPPVDI-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421045 455294357 /nfs/dbraw/zinc/29/43/57/455294357.db2.gz HUBRWWLGMPPVDI-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421045 455294359 /nfs/dbraw/zinc/29/43/59/455294359.db2.gz HUBRWWLGMPPVDI-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000245421045 455294365 /nfs/dbraw/zinc/29/43/65/455294365.db2.gz HUBRWWLGMPPVDI-YOEHRIQHSA-N 2 2 337.895 3.249 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1F ZINC000190486175 455330681 /nfs/dbraw/zinc/33/06/81/455330681.db2.gz HBBRIADWDFMYFB-IBGZPJMESA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccc1F ZINC000190486175 455330682 /nfs/dbraw/zinc/33/06/82/455330682.db2.gz HBBRIADWDFMYFB-IBGZPJMESA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)ccc1F ZINC000190486175 455330686 /nfs/dbraw/zinc/33/06/86/455330686.db2.gz HBBRIADWDFMYFB-IBGZPJMESA-N 2 2 327.447 3.483 10 0 EGAELP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)ccc1F ZINC000190486175 455330689 /nfs/dbraw/zinc/33/06/89/455330689.db2.gz HBBRIADWDFMYFB-IBGZPJMESA-N 2 2 327.447 3.483 10 0 EGAELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000158860762 455333773 /nfs/dbraw/zinc/33/37/73/455333773.db2.gz KAGDSNCLACJAJC-INIZCTEOSA-N 2 2 345.535 3.169 10 0 EGAELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000158860762 455333777 /nfs/dbraw/zinc/33/37/77/455333777.db2.gz KAGDSNCLACJAJC-INIZCTEOSA-N 2 2 345.535 3.169 10 0 EGAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605572 455339982 /nfs/dbraw/zinc/33/99/82/455339982.db2.gz NERDVHZHBKTPJG-MAUKXSAKSA-N 2 2 327.428 3.048 10 0 EGAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605572 455339987 /nfs/dbraw/zinc/33/99/87/455339987.db2.gz NERDVHZHBKTPJG-MAUKXSAKSA-N 2 2 327.428 3.048 10 0 EGAELP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000245618254 455342042 /nfs/dbraw/zinc/34/20/42/455342042.db2.gz NDEUJFIHISXSNE-CABCVRRESA-N 2 2 343.427 3.265 10 0 EGAELP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000245618254 455342045 /nfs/dbraw/zinc/34/20/45/455342045.db2.gz NDEUJFIHISXSNE-CABCVRRESA-N 2 2 343.427 3.265 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770275 455523122 /nfs/dbraw/zinc/52/31/22/455523122.db2.gz OEDCRYNDMXOVSZ-CVAIRZPRSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770275 455523130 /nfs/dbraw/zinc/52/31/30/455523130.db2.gz OEDCRYNDMXOVSZ-CVAIRZPRSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770275 455523133 /nfs/dbraw/zinc/52/31/33/455523133.db2.gz OEDCRYNDMXOVSZ-CVAIRZPRSA-N 2 2 349.494 3.054 10 0 EGAELP CC(C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000246770275 455523140 /nfs/dbraw/zinc/52/31/40/455523140.db2.gz OEDCRYNDMXOVSZ-CVAIRZPRSA-N 2 2 349.494 3.054 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000192018112 455543108 /nfs/dbraw/zinc/54/31/08/455543108.db2.gz LDERLTZCCNXVOO-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000192018112 455543111 /nfs/dbraw/zinc/54/31/11/455543111.db2.gz LDERLTZCCNXVOO-KRWDZBQOSA-N 2 2 340.452 3.211 10 0 EGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247138879 455564772 /nfs/dbraw/zinc/56/47/72/455564772.db2.gz WBADMTVRNRKBEG-WMZOPIPTSA-N 2 2 330.472 3.133 10 0 EGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247138879 455564774 /nfs/dbraw/zinc/56/47/74/455564774.db2.gz WBADMTVRNRKBEG-WMZOPIPTSA-N 2 2 330.472 3.133 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)cc1 ZINC000247975799 455662792 /nfs/dbraw/zinc/66/27/92/455662792.db2.gz HUNGMBUNWZDZLI-SJLPKXTDSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)cc1 ZINC000247975799 455662798 /nfs/dbraw/zinc/66/27/98/455662798.db2.gz HUNGMBUNWZDZLI-SJLPKXTDSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000247975799 455662803 /nfs/dbraw/zinc/66/28/03/455662803.db2.gz HUNGMBUNWZDZLI-SJLPKXTDSA-N 2 2 341.455 3.266 10 0 EGAELP COc1ccc(-c2cnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)o2)cc1 ZINC000247975799 455662808 /nfs/dbraw/zinc/66/28/08/455662808.db2.gz HUNGMBUNWZDZLI-SJLPKXTDSA-N 2 2 341.455 3.266 10 0 EGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248127406 455683840 /nfs/dbraw/zinc/68/38/40/455683840.db2.gz OAOXNZZUPLSACX-MAUKXSAKSA-N 2 2 329.419 3.397 10 0 EGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248127406 455683843 /nfs/dbraw/zinc/68/38/43/455683843.db2.gz OAOXNZZUPLSACX-MAUKXSAKSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248127406 455683849 /nfs/dbraw/zinc/68/38/49/455683849.db2.gz OAOXNZZUPLSACX-MAUKXSAKSA-N 2 2 329.419 3.397 10 0 EGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CC[C@H]21 ZINC000248127406 455683853 /nfs/dbraw/zinc/68/38/53/455683853.db2.gz OAOXNZZUPLSACX-MAUKXSAKSA-N 2 2 329.419 3.397 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000248128199 455684748 /nfs/dbraw/zinc/68/47/48/455684748.db2.gz ODVMJPVCHNYNHQ-WMLDXEAASA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000248128199 455684751 /nfs/dbraw/zinc/68/47/51/455684751.db2.gz ODVMJPVCHNYNHQ-WMLDXEAASA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000248128199 455684754 /nfs/dbraw/zinc/68/47/54/455684754.db2.gz ODVMJPVCHNYNHQ-WMLDXEAASA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000248128199 455684757 /nfs/dbraw/zinc/68/47/57/455684757.db2.gz ODVMJPVCHNYNHQ-WMLDXEAASA-N 2 2 335.879 3.003 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)o1 ZINC000284533883 455702937 /nfs/dbraw/zinc/70/29/37/455702937.db2.gz MRMXMALGTRJMAT-HNAYVOBHSA-N 2 2 328.460 3.027 10 0 EGAELP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)o1 ZINC000284533883 455702941 /nfs/dbraw/zinc/70/29/41/455702941.db2.gz MRMXMALGTRJMAT-HNAYVOBHSA-N 2 2 328.460 3.027 10 0 EGAELP CCn1nccc1CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000284548527 455703831 /nfs/dbraw/zinc/70/38/31/455703831.db2.gz XQGGJJMGITZLJL-SFHVURJKSA-N 2 2 337.471 3.268 10 0 EGAELP CCn1nccc1CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000284548527 455703835 /nfs/dbraw/zinc/70/38/35/455703835.db2.gz XQGGJJMGITZLJL-SFHVURJKSA-N 2 2 337.471 3.268 10 0 EGAELP Brc1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250774550 455788653 /nfs/dbraw/zinc/78/86/53/455788653.db2.gz ORIDCOAQZJLVPY-SMDDNHRTSA-N 2 2 329.307 3.475 10 0 EGAELP Brc1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250774550 455788658 /nfs/dbraw/zinc/78/86/58/455788658.db2.gz ORIDCOAQZJLVPY-SMDDNHRTSA-N 2 2 329.307 3.475 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285502143 455859533 /nfs/dbraw/zinc/85/95/33/455859533.db2.gz FEQZTIYFGZZYKR-GUYCJALGSA-N 2 2 347.846 3.406 10 0 EGAELP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285502143 455859536 /nfs/dbraw/zinc/85/95/36/455859536.db2.gz FEQZTIYFGZZYKR-GUYCJALGSA-N 2 2 347.846 3.406 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602013 455910895 /nfs/dbraw/zinc/91/08/95/455910895.db2.gz AMRZWVHWGPGWLA-IMJJTQAJSA-N 2 2 328.460 3.102 10 0 EGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602013 455910901 /nfs/dbraw/zinc/91/09/01/455910901.db2.gz AMRZWVHWGPGWLA-IMJJTQAJSA-N 2 2 328.460 3.102 10 0 EGAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606581893 460700941 /nfs/dbraw/zinc/70/09/41/460700941.db2.gz VDTISLALPYAKPZ-GOSISDBHSA-N 2 2 349.438 3.293 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000296526852 455963598 /nfs/dbraw/zinc/96/35/98/455963598.db2.gz SJSXRIRDLCLQNI-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000296526852 455963605 /nfs/dbraw/zinc/96/36/05/455963605.db2.gz SJSXRIRDLCLQNI-MRXNPFEDSA-N 2 2 340.471 3.149 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515692 455975499 /nfs/dbraw/zinc/97/54/99/455975499.db2.gz BICSRVJNFAZARC-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515692 455975502 /nfs/dbraw/zinc/97/55/02/455975502.db2.gz BICSRVJNFAZARC-QGZVFWFLSA-N 2 2 338.455 3.071 10 0 EGAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515955 455977383 /nfs/dbraw/zinc/97/73/83/455977383.db2.gz NNWTWLUURIPVHD-LSDHHAIUSA-N 2 2 329.448 3.302 10 0 EGAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515955 455977388 /nfs/dbraw/zinc/97/73/88/455977388.db2.gz NNWTWLUURIPVHD-LSDHHAIUSA-N 2 2 329.448 3.302 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261989324 455982525 /nfs/dbraw/zinc/98/25/25/455982525.db2.gz KDNKZIGHVJJPGL-RBUKOAKNSA-N 2 2 337.458 3.033 10 0 EGAELP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261989324 455982530 /nfs/dbraw/zinc/98/25/30/455982530.db2.gz KDNKZIGHVJJPGL-RBUKOAKNSA-N 2 2 337.458 3.033 10 0 EGAELP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188266899 456032544 /nfs/dbraw/zinc/03/25/44/456032544.db2.gz UKEODQRCDAXGBS-MSOLQXFVSA-N 2 2 330.451 3.348 10 0 EGAELP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188266899 456032548 /nfs/dbraw/zinc/03/25/48/456032548.db2.gz UKEODQRCDAXGBS-MSOLQXFVSA-N 2 2 330.451 3.348 10 0 EGAELP CCn1cc[nH+]c1[C@H](C)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000296926278 456068608 /nfs/dbraw/zinc/06/86/08/456068608.db2.gz PUDOAGSOPIBUTL-INIZCTEOSA-N 2 2 327.476 3.218 10 0 EGAELP CC[NH+]1CCN(c2ccccc2N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000297064014 456106580 /nfs/dbraw/zinc/10/65/80/456106580.db2.gz WDEZNXPXNNYQPB-RDJZCZTQSA-N 2 2 325.460 3.143 10 0 EGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000301773265 456210668 /nfs/dbraw/zinc/21/06/68/456210668.db2.gz KAHQDZZXWMRFRG-DLBZAZTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000301773265 456210673 /nfs/dbraw/zinc/21/06/73/456210673.db2.gz KAHQDZZXWMRFRG-DLBZAZTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000301773265 456210679 /nfs/dbraw/zinc/21/06/79/456210679.db2.gz KAHQDZZXWMRFRG-DLBZAZTESA-N 2 2 343.519 3.166 10 0 EGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000301773265 456210686 /nfs/dbraw/zinc/21/06/86/456210686.db2.gz KAHQDZZXWMRFRG-DLBZAZTESA-N 2 2 343.519 3.166 10 0 EGAELP Fc1ccc(Cn2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000275682173 456285467 /nfs/dbraw/zinc/28/54/67/456285467.db2.gz HTHSOWKKHCKETF-UHFFFAOYSA-N 2 2 339.418 3.173 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cn4ccccc4n3)C2)n2c1CCCC2 ZINC000281979589 456381084 /nfs/dbraw/zinc/38/10/84/456381084.db2.gz HOAFSJDZZYSQIJ-MRXNPFEDSA-N 2 2 335.455 3.247 10 0 EGAELP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)n2c1CCCC2 ZINC000281979589 456381090 /nfs/dbraw/zinc/38/10/90/456381090.db2.gz HOAFSJDZZYSQIJ-MRXNPFEDSA-N 2 2 335.455 3.247 10 0 EGAELP COCC[C@H](c1ccccc1)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340599852 456560151 /nfs/dbraw/zinc/56/01/51/456560151.db2.gz IMXQYZRRGCIRGM-LJQANCHMSA-N 2 2 325.456 3.290 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)s1 ZINC000353213337 456565138 /nfs/dbraw/zinc/56/51/38/456565138.db2.gz AHAFQQJQJKVLMX-RKDXNWHRSA-N 2 2 326.263 3.442 10 0 EGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)s1 ZINC000353213337 456565144 /nfs/dbraw/zinc/56/51/44/456565144.db2.gz AHAFQQJQJKVLMX-RKDXNWHRSA-N 2 2 326.263 3.442 10 0 EGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265704 456598334 /nfs/dbraw/zinc/59/83/34/456598334.db2.gz AMSZOKLDKYSAGQ-DNVCBOLYSA-N 2 2 332.488 3.118 10 0 EGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353265704 456598338 /nfs/dbraw/zinc/59/83/38/456598338.db2.gz AMSZOKLDKYSAGQ-DNVCBOLYSA-N 2 2 332.488 3.118 10 0 EGAELP C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348302032 456606577 /nfs/dbraw/zinc/60/65/77/456606577.db2.gz LEGNTVCIYSQNKH-UONOGXRCSA-N 2 2 335.411 3.150 10 0 EGAELP c1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000337986177 456639432 /nfs/dbraw/zinc/63/94/32/456639432.db2.gz BBLOOKYQAQTPGJ-RTWAWAEBSA-N 2 2 344.499 3.066 10 0 EGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174454 456661913 /nfs/dbraw/zinc/66/19/13/456661913.db2.gz GDYZPSOWJMGQQX-SJORKVTESA-N 2 2 326.444 3.009 10 0 EGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000324174454 456661920 /nfs/dbraw/zinc/66/19/20/456661920.db2.gz GDYZPSOWJMGQQX-SJORKVTESA-N 2 2 326.444 3.009 10 0 EGAELP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645945 456671474 /nfs/dbraw/zinc/67/14/74/456671474.db2.gz VZRDAQYDGSWVPR-GOEBONIOSA-N 2 2 346.862 3.354 10 0 EGAELP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324645945 456671479 /nfs/dbraw/zinc/67/14/79/456671479.db2.gz VZRDAQYDGSWVPR-GOEBONIOSA-N 2 2 346.862 3.354 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636665 456791558 /nfs/dbraw/zinc/79/15/58/456791558.db2.gz XWHDZTSTCLWRTR-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636665 456791564 /nfs/dbraw/zinc/79/15/64/456791564.db2.gz XWHDZTSTCLWRTR-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636665 456791570 /nfs/dbraw/zinc/79/15/70/456791570.db2.gz XWHDZTSTCLWRTR-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000348636665 456791576 /nfs/dbraw/zinc/79/15/76/456791576.db2.gz XWHDZTSTCLWRTR-RDJZCZTQSA-N 2 2 328.460 3.207 10 0 EGAELP CCCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348637357 456793114 /nfs/dbraw/zinc/79/31/14/456793114.db2.gz UGRASRJUIFCPKC-OAQYLSRUSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348637357 456793120 /nfs/dbraw/zinc/79/31/20/456793120.db2.gz UGRASRJUIFCPKC-OAQYLSRUSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348637357 456793126 /nfs/dbraw/zinc/79/31/26/456793126.db2.gz UGRASRJUIFCPKC-OAQYLSRUSA-N 2 2 338.499 3.391 10 0 EGAELP CCCn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348637357 456793135 /nfs/dbraw/zinc/79/31/35/456793135.db2.gz UGRASRJUIFCPKC-OAQYLSRUSA-N 2 2 338.499 3.391 10 0 EGAELP CC(C)(CO)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000354077652 457047084 /nfs/dbraw/zinc/04/70/84/457047084.db2.gz GJGQPFNPTSELJL-KRWDZBQOSA-N 2 2 342.468 3.178 10 0 EGAELP C[C@@H](C[NH+]1CCCC[C@]1(C)C(N)=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000330844590 457092768 /nfs/dbraw/zinc/09/27/68/457092768.db2.gz JTXCNEXFIVUWBT-GBEXYDAJSA-N 2 2 338.496 3.182 10 0 EGAELP C[C@@H](C[NH+]1CCCC[C@]1(C)C(N)=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000330844590 457092771 /nfs/dbraw/zinc/09/27/71/457092771.db2.gz JTXCNEXFIVUWBT-GBEXYDAJSA-N 2 2 338.496 3.182 10 0 EGAELP C[C@H](C[NH+]1CCCC[C@@]1(C)C(N)=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000330844590 457092774 /nfs/dbraw/zinc/09/27/74/457092774.db2.gz JTXCNEXFIVUWBT-GBEXYDAJSA-N 2 2 338.496 3.182 10 0 EGAELP C[C@H](C[NH+]1CCCC[C@@]1(C)C(N)=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000330844590 457092778 /nfs/dbraw/zinc/09/27/78/457092778.db2.gz JTXCNEXFIVUWBT-GBEXYDAJSA-N 2 2 338.496 3.182 10 0 EGAELP C[C@H]1CN(c2ccc(CNc3cc[nH+]c4ccccc34)c[nH+]2)C[C@H](C)O1 ZINC000346746960 457147471 /nfs/dbraw/zinc/14/74/71/457147471.db2.gz BKUGSKFNGRTIQO-HOTGVXAUSA-N 2 2 348.450 3.277 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991709 457191121 /nfs/dbraw/zinc/19/11/21/457191121.db2.gz HPZQPLGKAODIQB-ZNMIVQPWSA-N 2 2 345.878 3.198 10 0 EGAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1Cl ZINC000359991709 457191125 /nfs/dbraw/zinc/19/11/25/457191125.db2.gz HPZQPLGKAODIQB-ZNMIVQPWSA-N 2 2 345.878 3.198 10 0 EGAELP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356900643 457208093 /nfs/dbraw/zinc/20/80/93/457208093.db2.gz OULAPUVELRESOB-GOEBONIOSA-N 2 2 336.442 3.324 10 0 EGAELP COC(=O)C(C)(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000354461193 457238056 /nfs/dbraw/zinc/23/80/56/457238056.db2.gz IAVSTPLLXACWLN-SFHVURJKSA-N 2 2 343.471 3.420 10 0 EGAELP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000342330061 457241300 /nfs/dbraw/zinc/24/13/00/457241300.db2.gz WOKQCRFXGRURSY-IBGZPJMESA-N 2 2 325.387 3.489 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044502 457493919 /nfs/dbraw/zinc/49/39/19/457493919.db2.gz AWYZSGDUXFAQAM-QFUCXCTJSA-N 2 2 327.516 3.256 10 0 EGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000398044502 457493922 /nfs/dbraw/zinc/49/39/22/457493922.db2.gz AWYZSGDUXFAQAM-QFUCXCTJSA-N 2 2 327.516 3.256 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374200457 457518999 /nfs/dbraw/zinc/51/89/99/457518999.db2.gz PWMGJDDNNNMCLH-GOSISDBHSA-N 2 2 342.443 3.015 10 0 EGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374200457 457519003 /nfs/dbraw/zinc/51/90/03/457519003.db2.gz PWMGJDDNNNMCLH-GOSISDBHSA-N 2 2 342.443 3.015 10 0 EGAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425443208 457556373 /nfs/dbraw/zinc/55/63/73/457556373.db2.gz LDLFSIKQKPSTJC-UHFFFAOYSA-N 2 2 345.450 3.169 10 0 EGAELP COc1cccc2c1CC[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C2 ZINC000425936623 457655996 /nfs/dbraw/zinc/65/59/96/457655996.db2.gz NLGSDJOWEZTAIH-VQTJNVASSA-N 2 2 338.495 3.315 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000361328503 457694830 /nfs/dbraw/zinc/69/48/30/457694830.db2.gz MRLOGTRBWMTIGF-NPMXOYFQSA-N 2 2 335.517 3.214 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000361328503 457694832 /nfs/dbraw/zinc/69/48/32/457694832.db2.gz MRLOGTRBWMTIGF-NPMXOYFQSA-N 2 2 335.517 3.214 10 0 EGAELP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1 ZINC000361338145 457698675 /nfs/dbraw/zinc/69/86/75/457698675.db2.gz CIFFBVFKDFJMHH-NRFANRHFSA-N 2 2 342.458 3.156 10 0 EGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(OCc3ccccn3)c1)C2 ZINC000370728797 457708736 /nfs/dbraw/zinc/70/87/36/457708736.db2.gz DHRJFQRFRLNFTI-MRXNPFEDSA-N 2 2 334.423 3.031 10 0 EGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000370728797 457708740 /nfs/dbraw/zinc/70/87/40/457708740.db2.gz DHRJFQRFRLNFTI-MRXNPFEDSA-N 2 2 334.423 3.031 10 0 EGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894939 457938494 /nfs/dbraw/zinc/93/84/94/457938494.db2.gz RLBBOAOQDSYFFQ-RCCFBDPRSA-N 2 2 338.536 3.061 10 0 EGAELP Fc1cncc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000375522261 457960103 /nfs/dbraw/zinc/96/01/03/457960103.db2.gz GMSUPKQJJOGIKQ-LJQANCHMSA-N 2 2 326.419 3.325 10 0 EGAELP COCc1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435056040 458086274 /nfs/dbraw/zinc/08/62/74/458086274.db2.gz FIYLHBAEABLXFG-UHFFFAOYSA-N 2 2 346.500 3.202 10 0 EGAELP C[NH+](C)CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000358715490 458166082 /nfs/dbraw/zinc/16/60/82/458166082.db2.gz IPYMTEJEYMGYSH-UHFFFAOYSA-N 2 2 326.444 3.323 10 0 EGAELP c1coc(-c2ncc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)s2)c1 ZINC000376041318 458174043 /nfs/dbraw/zinc/17/40/43/458174043.db2.gz GHVOWQQCYBTESE-UHFFFAOYSA-N 2 2 337.408 3.274 10 0 EGAELP Fc1ccc2nc(C[NH2+]CCc3cn4ccccc4[nH+]3)sc2c1 ZINC000428848440 458222076 /nfs/dbraw/zinc/22/20/76/458222076.db2.gz HWOHKOKVFRTPQK-UHFFFAOYSA-N 2 2 326.400 3.415 10 0 EGAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000435998156 458233474 /nfs/dbraw/zinc/23/34/74/458233474.db2.gz VKEBKQAMWLHQGV-QGZVFWFLSA-N 2 2 346.519 3.469 10 0 EGAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959730 458242733 /nfs/dbraw/zinc/24/27/33/458242733.db2.gz GVCVPNYXCWFADB-CVEARBPZSA-N 2 2 325.460 3.258 10 0 EGAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000428959730 458242738 /nfs/dbraw/zinc/24/27/38/458242738.db2.gz GVCVPNYXCWFADB-CVEARBPZSA-N 2 2 325.460 3.258 10 0 EGAELP CSc1cc(Br)ccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459653808 458436381 /nfs/dbraw/zinc/43/63/81/458436381.db2.gz DILRWKSQOJYCFY-UHFFFAOYSA-N 2 2 340.290 3.237 10 0 EGAELP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438096468 458531701 /nfs/dbraw/zinc/53/17/01/458531701.db2.gz JHWGDAFDSNVKFB-TZIWHRDSSA-N 2 2 338.499 3.048 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)C[C@H]2C1 ZINC000424346727 458622422 /nfs/dbraw/zinc/62/24/22/458622422.db2.gz JVLJSTGMTVRIAY-RFPBDILFSA-N 2 2 328.500 3.443 10 0 EGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)C[C@H]2C1 ZINC000424346727 458622424 /nfs/dbraw/zinc/62/24/24/458622424.db2.gz JVLJSTGMTVRIAY-RFPBDILFSA-N 2 2 328.500 3.443 10 0 EGAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000462783685 458653414 /nfs/dbraw/zinc/65/34/14/458653414.db2.gz UFLYQRNKFFNHND-MHTWAQMVSA-N 2 2 328.500 3.446 10 0 EGAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000462783685 458653418 /nfs/dbraw/zinc/65/34/18/458653418.db2.gz UFLYQRNKFFNHND-MHTWAQMVSA-N 2 2 328.500 3.446 10 0 EGAELP Cc1nc2ccc(C[NH2+]CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000494356713 458664530 /nfs/dbraw/zinc/66/45/30/458664530.db2.gz FTSUAPWIJOSZTB-OKILXGFUSA-N 2 2 333.501 3.194 10 0 EGAELP Cc1nc2ccc(C[NH2+]CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000494356713 458664536 /nfs/dbraw/zinc/66/45/36/458664536.db2.gz FTSUAPWIJOSZTB-OKILXGFUSA-N 2 2 333.501 3.194 10 0 EGAELP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530210934 458718542 /nfs/dbraw/zinc/71/85/42/458718542.db2.gz NKZWMOCPNAPDKW-VIFPVBQESA-N 2 2 333.220 3.287 10 0 EGAELP CC(C)C[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000474264602 458872948 /nfs/dbraw/zinc/87/29/48/458872948.db2.gz GVXLIEZNKZEPPE-FQEVSTJZSA-N 2 2 340.515 3.368 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000519789679 459005463 /nfs/dbraw/zinc/00/54/63/459005463.db2.gz GFYBDJJPXQHVRC-OCCSQVGLSA-N 2 2 346.862 3.236 10 0 EGAELP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000519789679 459005470 /nfs/dbraw/zinc/00/54/70/459005470.db2.gz GFYBDJJPXQHVRC-OCCSQVGLSA-N 2 2 346.862 3.236 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000594495515 459060809 /nfs/dbraw/zinc/06/08/09/459060809.db2.gz AXQGVKAOPPHZHJ-VVFCZOMOSA-N 2 2 328.456 3.065 10 0 EGAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000594495515 459060813 /nfs/dbraw/zinc/06/08/13/459060813.db2.gz AXQGVKAOPPHZHJ-VVFCZOMOSA-N 2 2 328.456 3.065 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000557365656 459066448 /nfs/dbraw/zinc/06/64/48/459066448.db2.gz AEIPQQWRZHYDFX-QYRPDUKASA-N 2 2 346.515 3.134 10 0 EGAELP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000557365656 459066455 /nfs/dbraw/zinc/06/64/55/459066455.db2.gz AEIPQQWRZHYDFX-QYRPDUKASA-N 2 2 346.515 3.134 10 0 EGAELP COc1cc(C)[nH+]c(CN[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443005696 459073442 /nfs/dbraw/zinc/07/34/42/459073442.db2.gz YGZVPDYWSHVVSL-OXQOHEQNSA-N 2 2 327.472 3.488 10 0 EGAELP C[C@H](c1cccc2ccccc21)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000532956481 459166970 /nfs/dbraw/zinc/16/69/70/459166970.db2.gz SHDLDVUBIJQCQV-QGZVFWFLSA-N 2 2 334.467 3.452 10 0 EGAELP COc1cc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2cc1F ZINC000480083064 459181660 /nfs/dbraw/zinc/18/16/60/459181660.db2.gz NFWVVINSQAKWFS-ZDUSSCGKSA-N 2 2 338.386 3.468 10 0 EGAELP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794398 459220189 /nfs/dbraw/zinc/22/01/89/459220189.db2.gz JALCZYSETDFXLA-TYPHKJRUSA-N 3 2 329.532 3.361 10 0 EGAELP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794398 459220194 /nfs/dbraw/zinc/22/01/94/459220194.db2.gz JALCZYSETDFXLA-TYPHKJRUSA-N 3 2 329.532 3.361 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000595035471 459223452 /nfs/dbraw/zinc/22/34/52/459223452.db2.gz JTCLJXSGPPRPSA-VDZJLULYSA-N 2 2 332.488 3.389 10 0 EGAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000595035471 459223455 /nfs/dbraw/zinc/22/34/55/459223455.db2.gz JTCLJXSGPPRPSA-VDZJLULYSA-N 2 2 332.488 3.389 10 0 EGAELP Cc1cc(N2CC[NH+](C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522648872 459253515 /nfs/dbraw/zinc/25/35/15/459253515.db2.gz HGFYOYPXQVICLI-UHFFFAOYSA-N 2 2 325.334 3.194 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082533 459309366 /nfs/dbraw/zinc/30/93/66/459309366.db2.gz HWDIYGFVRFNOQP-CJNGLKHVSA-N 2 2 332.835 3.201 10 0 EGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082533 459309368 /nfs/dbraw/zinc/30/93/68/459309368.db2.gz HWDIYGFVRFNOQP-CJNGLKHVSA-N 2 2 332.835 3.201 10 0 EGAELP COCC[NH2+]C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000582791223 459429137 /nfs/dbraw/zinc/42/91/37/459429137.db2.gz RPOOXBUGBQZZAA-UHFFFAOYSA-N 2 2 328.909 3.133 10 0 EGAELP CSCc1cnc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000592376517 459584343 /nfs/dbraw/zinc/58/43/43/459584343.db2.gz XMGJIDNGURLCIP-WBVHZDCISA-N 2 2 347.553 3.441 10 0 EGAELP CSCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000592376517 459584344 /nfs/dbraw/zinc/58/43/44/459584344.db2.gz XMGJIDNGURLCIP-WBVHZDCISA-N 2 2 347.553 3.441 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592425562 459598463 /nfs/dbraw/zinc/59/84/63/459598463.db2.gz IPFGMVYHQRLGRW-WMLDXEAASA-N 2 2 336.863 3.091 10 0 EGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592425562 459598466 /nfs/dbraw/zinc/59/84/66/459598466.db2.gz IPFGMVYHQRLGRW-WMLDXEAASA-N 2 2 336.863 3.091 10 0 EGAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000584050012 459641832 /nfs/dbraw/zinc/64/18/32/459641832.db2.gz FDTYPYYUODTBIU-OALUTQOASA-N 2 2 331.410 3.246 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000543397542 459652694 /nfs/dbraw/zinc/65/26/94/459652694.db2.gz TWEAVBIXWAUREO-OAQYLSRUSA-N 2 2 348.450 3.323 10 0 EGAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000543397542 459652700 /nfs/dbraw/zinc/65/27/00/459652700.db2.gz TWEAVBIXWAUREO-OAQYLSRUSA-N 2 2 348.450 3.323 10 0 EGAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccsc2Br)CCCO1 ZINC000527700026 459706161 /nfs/dbraw/zinc/70/61/61/459706161.db2.gz KAZLKIWEGUEAKL-GFCCVEGCSA-N 2 2 347.322 3.101 10 0 EGAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2Br)CCCO1 ZINC000527700026 459706170 /nfs/dbraw/zinc/70/61/70/459706170.db2.gz KAZLKIWEGUEAKL-GFCCVEGCSA-N 2 2 347.322 3.101 10 0 EGAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000563119635 459718094 /nfs/dbraw/zinc/71/80/94/459718094.db2.gz AMGKDAMDMXAHDR-HXUWFJFHSA-N 3 2 327.516 3.259 10 0 EGAELP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527750680 459724497 /nfs/dbraw/zinc/72/44/97/459724497.db2.gz DHKILLKFMQTTBK-IBGZPJMESA-N 2 2 332.488 3.208 10 0 EGAELP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527750680 459724499 /nfs/dbraw/zinc/72/44/99/459724499.db2.gz DHKILLKFMQTTBK-IBGZPJMESA-N 2 2 332.488 3.208 10 0 EGAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527810052 459746109 /nfs/dbraw/zinc/74/61/09/459746109.db2.gz UGJMQKAELJQERQ-CTNGQTDRSA-N 2 2 344.499 3.351 10 0 EGAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810052 459746115 /nfs/dbraw/zinc/74/61/15/459746115.db2.gz UGJMQKAELJQERQ-CTNGQTDRSA-N 2 2 344.499 3.351 10 0 EGAELP Cc1ncncc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000584729838 459793299 /nfs/dbraw/zinc/79/32/99/459793299.db2.gz FSGKSBNONCFSBG-LRVUVFPRSA-N 2 2 342.409 3.241 10 0 EGAELP CC[NH+](CC)CCOc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000621485268 459925366 /nfs/dbraw/zinc/92/53/66/459925366.db2.gz SWFGIHWUHAKUAI-UHFFFAOYSA-N 2 2 344.459 3.047 10 0 EGAELP CC[NH+](CC)CCOc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621485268 459925370 /nfs/dbraw/zinc/92/53/70/459925370.db2.gz SWFGIHWUHAKUAI-UHFFFAOYSA-N 2 2 344.459 3.047 10 0 EGAELP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000593624906 459937238 /nfs/dbraw/zinc/93/72/38/459937238.db2.gz LJUBLGGQNZTTIR-OAHLLOKOSA-N 2 2 335.492 3.457 10 0 EGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253355 460092623 /nfs/dbraw/zinc/09/26/23/460092623.db2.gz GHYPQLNWNHBQAC-UGSOOPFHSA-N 2 2 331.435 3.152 10 0 EGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253355 460092629 /nfs/dbraw/zinc/09/26/29/460092629.db2.gz GHYPQLNWNHBQAC-UGSOOPFHSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253355 460092638 /nfs/dbraw/zinc/09/26/38/460092638.db2.gz GHYPQLNWNHBQAC-UGSOOPFHSA-N 2 2 331.435 3.152 10 0 EGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000625253355 460092644 /nfs/dbraw/zinc/09/26/44/460092644.db2.gz GHYPQLNWNHBQAC-UGSOOPFHSA-N 2 2 331.435 3.152 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000625260987 460095732 /nfs/dbraw/zinc/09/57/32/460095732.db2.gz FWPGETDXUZIBJE-WFASDCNBSA-N 2 2 335.249 3.124 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000625260987 460095742 /nfs/dbraw/zinc/09/57/42/460095742.db2.gz FWPGETDXUZIBJE-WFASDCNBSA-N 2 2 335.249 3.124 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625268586 460099649 /nfs/dbraw/zinc/09/96/49/460099649.db2.gz PSKQAVLYYIOPCJ-ZDUSSCGKSA-N 2 2 326.375 3.204 10 0 EGAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000625268586 460099657 /nfs/dbraw/zinc/09/96/57/460099657.db2.gz PSKQAVLYYIOPCJ-ZDUSSCGKSA-N 2 2 326.375 3.204 10 0 EGAELP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCC[C@@H]21 ZINC000599654134 460300249 /nfs/dbraw/zinc/30/02/49/460300249.db2.gz LWEWAAZNJDPIIB-GUDVDZBRSA-N 2 2 339.439 3.036 10 0 EGAELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000626088292 460366389 /nfs/dbraw/zinc/36/63/89/460366389.db2.gz RUIMAXCWEAKNJB-UHFFFAOYSA-N 2 2 336.907 3.459 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H]4CCCC[C@@]43C)c2cc1C ZINC000626104804 460371610 /nfs/dbraw/zinc/37/16/10/460371610.db2.gz DTFDLFAYLIMHAR-QKLQHJQFSA-N 2 2 327.472 3.279 10 0 EGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H]4CCCC[C@@]43C)c2cc1C ZINC000626104804 460371613 /nfs/dbraw/zinc/37/16/13/460371613.db2.gz DTFDLFAYLIMHAR-QKLQHJQFSA-N 2 2 327.472 3.279 10 0 EGAELP CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)c(C)c1 ZINC000628476478 460430593 /nfs/dbraw/zinc/43/05/93/460430593.db2.gz NKWCZDQNUDNGOO-UHFFFAOYSA-N 2 2 346.515 3.471 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OCC(F)(F)F ZINC000623361193 460508655 /nfs/dbraw/zinc/50/86/55/460508655.db2.gz QRIOIBOWISRFNQ-ZIAGYGMSSA-N 2 2 346.368 3.483 10 0 EGAELP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OCC(F)(F)F ZINC000623361193 460508660 /nfs/dbraw/zinc/50/86/60/460508660.db2.gz QRIOIBOWISRFNQ-ZIAGYGMSSA-N 2 2 346.368 3.483 10 0 EGAELP C[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628773037 460539395 /nfs/dbraw/zinc/53/93/95/460539395.db2.gz JNYLRZZYZMURBH-OEUWWYETSA-N 2 2 344.434 3.016 10 0 EGAELP C[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628773037 460539401 /nfs/dbraw/zinc/53/94/01/460539401.db2.gz JNYLRZZYZMURBH-OEUWWYETSA-N 2 2 344.434 3.016 10 0 EGAELP COc1ccc([C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccc(F)cc2)cc1 ZINC000629522820 460794545 /nfs/dbraw/zinc/79/45/45/460794545.db2.gz BZDIYHKKAGPSDY-IBGZPJMESA-N 2 2 344.430 3.021 10 0 EGAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000629544329 460803296 /nfs/dbraw/zinc/80/32/96/460803296.db2.gz JTTBOILTQWLUKU-MCCGJVOXSA-N 2 2 329.669 3.430 10 0 EGAELP [NH3+]Cc1cccc2c1N(Cc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000629561473 460808588 /nfs/dbraw/zinc/80/85/88/460808588.db2.gz WVSAYABBKLRIQF-UHFFFAOYSA-N 2 2 332.451 3.343 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000629585241 460815263 /nfs/dbraw/zinc/81/52/63/460815263.db2.gz OGPAEYHNPOMXKS-SZPZYZBQSA-N 2 2 349.478 3.370 10 0 EGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000629585241 460815267 /nfs/dbraw/zinc/81/52/67/460815267.db2.gz OGPAEYHNPOMXKS-SZPZYZBQSA-N 2 2 349.478 3.370 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Nc1ccccc1F ZINC000629601210 460824123 /nfs/dbraw/zinc/82/41/23/460824123.db2.gz AXSIMBVUNJSMFJ-INIZCTEOSA-N 2 2 333.451 3.151 10 0 EGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Nc1ccccc1F ZINC000629601210 460824126 /nfs/dbraw/zinc/82/41/26/460824126.db2.gz AXSIMBVUNJSMFJ-INIZCTEOSA-N 2 2 333.451 3.151 10 0 EGAELP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629671687 460860017 /nfs/dbraw/zinc/86/00/17/460860017.db2.gz DFHGWYSMSSPPLH-KBXCAEBGSA-N 2 2 342.487 3.154 10 0 EGAELP c1[nH+]cn2c1c(N1CCC[C@H]1C[NH+]1CCCCC1)nc1ccccc12 ZINC000624117025 460867208 /nfs/dbraw/zinc/86/72/08/460867208.db2.gz DZXIBQVSIVRQGK-INIZCTEOSA-N 2 2 335.455 3.337 10 0 EGAELP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122080 460870555 /nfs/dbraw/zinc/87/05/55/460870555.db2.gz JHKFEPARPKLMJX-DNVCBOLYSA-N 2 2 328.435 3.027 10 0 EGAELP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000624122080 460870562 /nfs/dbraw/zinc/87/05/62/460870562.db2.gz JHKFEPARPKLMJX-DNVCBOLYSA-N 2 2 328.435 3.027 10 0 EGAELP Cc1cccn2c(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)cnc12 ZINC000608075706 460978347 /nfs/dbraw/zinc/97/83/47/460978347.db2.gz WKWMTBQZXCXCER-IBGZPJMESA-N 2 2 345.450 3.450 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC1CC1 ZINC000628162058 461026194 /nfs/dbraw/zinc/02/61/94/461026194.db2.gz BTOBUJRJQNJOBG-INIZCTEOSA-N 2 2 327.428 3.270 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC1CC1 ZINC000628162058 461026200 /nfs/dbraw/zinc/02/62/00/461026200.db2.gz BTOBUJRJQNJOBG-INIZCTEOSA-N 2 2 327.428 3.270 10 0 EGAELP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000652344500 461139830 /nfs/dbraw/zinc/13/98/30/461139830.db2.gz LNWQUVOPZZUYPG-ZDUSSCGKSA-N 2 2 341.293 3.211 10 0 EGAELP [NH3+]C[C@H]([NH2+]Cc1ncc(Br)cc1Cl)C1CCCCC1 ZINC000662278235 461163012 /nfs/dbraw/zinc/16/30/12/461163012.db2.gz ZJLKPNVALDJLAE-ZDUSSCGKSA-N 2 2 346.700 3.495 10 0 EGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649601614 461210819 /nfs/dbraw/zinc/21/08/19/461210819.db2.gz XAGDACQBHKCOPX-FQEVSTJZSA-N 2 2 338.499 3.220 10 0 EGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000649601614 461210826 /nfs/dbraw/zinc/21/08/26/461210826.db2.gz XAGDACQBHKCOPX-FQEVSTJZSA-N 2 2 338.499 3.220 10 0 EGAELP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000668298504 461235281 /nfs/dbraw/zinc/23/52/81/461235281.db2.gz AUSKPPQMLZRODB-IBGZPJMESA-N 2 2 327.472 3.163 10 0 EGAELP Cc1ccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000668298504 461235283 /nfs/dbraw/zinc/23/52/83/461235283.db2.gz AUSKPPQMLZRODB-IBGZPJMESA-N 2 2 327.472 3.163 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000668432644 461279617 /nfs/dbraw/zinc/27/96/17/461279617.db2.gz WASHMHHBYHZJCB-AEFFLSMTSA-N 2 2 334.504 3.105 10 0 EGAELP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000668432644 461279624 /nfs/dbraw/zinc/27/96/24/461279624.db2.gz WASHMHHBYHZJCB-AEFFLSMTSA-N 2 2 334.504 3.105 10 0 EGAELP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc(Cl)c1O ZINC000668432394 461279939 /nfs/dbraw/zinc/27/99/39/461279939.db2.gz QZTOPOMSMGAEDM-ZDUSSCGKSA-N 2 2 326.868 3.407 10 0 EGAELP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc(Cl)c1O ZINC000668432394 461279944 /nfs/dbraw/zinc/27/99/44/461279944.db2.gz QZTOPOMSMGAEDM-ZDUSSCGKSA-N 2 2 326.868 3.407 10 0 EGAELP c1coc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655698356 461370116 /nfs/dbraw/zinc/37/01/16/461370116.db2.gz VFAJSEKLCAYOGX-ICSRJNTNSA-N 2 2 326.440 3.212 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn2c1CCCC2 ZINC000655721339 461391081 /nfs/dbraw/zinc/39/10/81/461391081.db2.gz NNMRPKBLYGNHGU-LJQANCHMSA-N 2 2 338.499 3.221 10 0 EGAELP c1c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn2c1CCCC2 ZINC000655721339 461391086 /nfs/dbraw/zinc/39/10/86/461391086.db2.gz NNMRPKBLYGNHGU-LJQANCHMSA-N 2 2 338.499 3.221 10 0 EGAELP CCOc1c(Cl)cccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785559 461433860 /nfs/dbraw/zinc/43/38/60/461433860.db2.gz SACCGBCGWDMCQI-MRXNPFEDSA-N 2 2 340.895 3.281 10 0 EGAELP CCOc1c(Cl)cccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785559 461433865 /nfs/dbraw/zinc/43/38/65/461433865.db2.gz SACCGBCGWDMCQI-MRXNPFEDSA-N 2 2 340.895 3.281 10 0 EGAELP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655772951 461437091 /nfs/dbraw/zinc/43/70/91/461437091.db2.gz ONRPYBVFONKZAU-IMJJTQAJSA-N 2 2 334.426 3.341 10 0 EGAELP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642196470 461468580 /nfs/dbraw/zinc/46/85/80/461468580.db2.gz HIZNQXAUMKKERB-ZDUSSCGKSA-N 2 2 341.434 3.418 10 0 EGAELP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642196470 461468586 /nfs/dbraw/zinc/46/85/86/461468586.db2.gz HIZNQXAUMKKERB-ZDUSSCGKSA-N 2 2 341.434 3.418 10 0 EGAELP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653037066 461470636 /nfs/dbraw/zinc/47/06/36/461470636.db2.gz SUZDYRAZURGGKS-GOSISDBHSA-N 2 2 342.487 3.026 10 0 EGAELP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653037066 461470642 /nfs/dbraw/zinc/47/06/42/461470642.db2.gz SUZDYRAZURGGKS-GOSISDBHSA-N 2 2 342.487 3.026 10 0 EGAELP FC(F)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000631035611 461486395 /nfs/dbraw/zinc/48/63/95/461486395.db2.gz RZSIXYSQTNHYMX-UHFFFAOYSA-N 2 2 347.409 3.141 10 0 EGAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647167455 461537999 /nfs/dbraw/zinc/53/79/99/461537999.db2.gz GENUEPWDBFGFCL-UHFFFAOYSA-N 2 2 346.438 3.105 10 0 EGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012781 461543369 /nfs/dbraw/zinc/54/33/69/461543369.db2.gz UIDDOTJEOKSZLW-IUODEOHRSA-N 2 2 328.378 3.343 10 0 EGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012781 461543381 /nfs/dbraw/zinc/54/33/81/461543381.db2.gz UIDDOTJEOKSZLW-IUODEOHRSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012781 461543387 /nfs/dbraw/zinc/54/33/87/461543387.db2.gz UIDDOTJEOKSZLW-IUODEOHRSA-N 2 2 328.378 3.343 10 0 EGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)CC[C@H]21 ZINC000660012781 461543399 /nfs/dbraw/zinc/54/33/99/461543399.db2.gz UIDDOTJEOKSZLW-IUODEOHRSA-N 2 2 328.378 3.343 10 0 EGAELP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248879 461590048 /nfs/dbraw/zinc/59/00/48/461590048.db2.gz LVZFNCWLBPKJBO-MSOLQXFVSA-N 2 2 334.467 3.008 10 0 EGAELP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248879 461590057 /nfs/dbraw/zinc/59/00/57/461590057.db2.gz LVZFNCWLBPKJBO-MSOLQXFVSA-N 2 2 334.467 3.008 10 0 EGAELP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)[C@H]21 ZINC000631194746 461635000 /nfs/dbraw/zinc/63/50/00/461635000.db2.gz WNCZDNGAPBIQKL-XKQJLSEDSA-N 2 2 344.256 3.020 10 0 EGAELP Cc1c(Cl)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000643290306 461669294 /nfs/dbraw/zinc/66/92/94/461669294.db2.gz CWFJJFKCUHSYBQ-HNNXBMFYSA-N 2 2 343.862 3.189 10 0 EGAELP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663498538 461673201 /nfs/dbraw/zinc/67/32/01/461673201.db2.gz PQBWAIRHINUANL-UHFFFAOYSA-N 2 2 343.858 3.156 10 0 EGAELP COc1cc2cc[nH+]c(N3CC[C@@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000663576797 461710068 /nfs/dbraw/zinc/71/00/68/461710068.db2.gz HFRZJXZXDLGWJQ-MRXNPFEDSA-N 2 2 341.455 3.317 10 0 EGAELP Cc1cc(CO)cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000663588990 461714583 /nfs/dbraw/zinc/71/45/83/461714583.db2.gz QIJGLFKXVAPRNB-HNNXBMFYSA-N 2 2 347.409 3.237 10 0 EGAELP Cc1cc(CO)cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000663588990 461714593 /nfs/dbraw/zinc/71/45/93/461714593.db2.gz QIJGLFKXVAPRNB-HNNXBMFYSA-N 2 2 347.409 3.237 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402270 461733236 /nfs/dbraw/zinc/73/32/36/461733236.db2.gz MMLPSBCTMYIUBW-OKYOBFRVSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402270 461733244 /nfs/dbraw/zinc/73/32/44/461733244.db2.gz MMLPSBCTMYIUBW-OKYOBFRVSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402270 461733250 /nfs/dbraw/zinc/73/32/50/461733250.db2.gz MMLPSBCTMYIUBW-OKYOBFRVSA-N 2 2 339.508 3.486 10 0 EGAELP c1csc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)n1 ZINC000656402270 461733258 /nfs/dbraw/zinc/73/32/58/461733258.db2.gz MMLPSBCTMYIUBW-OKYOBFRVSA-N 2 2 339.508 3.486 10 0 EGAELP CC[NH+](CC)[C@@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663674388 461746999 /nfs/dbraw/zinc/74/69/99/461746999.db2.gz QIVASTGANLMIEK-OAHLLOKOSA-N 2 2 329.444 3.173 10 0 EGAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502923 461748673 /nfs/dbraw/zinc/74/86/73/461748673.db2.gz VGUGIWRNXYNYAD-QMTHXVAHSA-N 2 2 327.241 3.307 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000653663086 461794415 /nfs/dbraw/zinc/79/44/15/461794415.db2.gz AHRPPBWLZOGZDB-GOSISDBHSA-N 2 2 346.515 3.363 10 0 EGAELP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000653663086 461794423 /nfs/dbraw/zinc/79/44/23/461794423.db2.gz AHRPPBWLZOGZDB-GOSISDBHSA-N 2 2 346.515 3.363 10 0 EGAELP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H](C4CC[NH2+]CC4)C3)c21 ZINC000656607908 461804706 /nfs/dbraw/zinc/80/47/06/461804706.db2.gz BGJPEHJZVSZKBP-OAHLLOKOSA-N 2 2 335.455 3.327 10 0 EGAELP Cc1cc(-n2cc[nH+]c2)ccc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000653729877 461827986 /nfs/dbraw/zinc/82/79/86/461827986.db2.gz CDMRLNXDRMASLF-UHFFFAOYSA-N 2 2 349.482 3.140 10 0 EGAELP COc1ccc(-c2cnc(C[N@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000647814744 461849603 /nfs/dbraw/zinc/84/96/03/461849603.db2.gz CROGKYWYJYPWAJ-UHFFFAOYSA-N 2 2 327.428 3.067 10 0 EGAELP COc1ccc(-c2cnc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000647814744 461849609 /nfs/dbraw/zinc/84/96/09/461849609.db2.gz CROGKYWYJYPWAJ-UHFFFAOYSA-N 2 2 327.428 3.067 10 0 EGAELP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876491 461866530 /nfs/dbraw/zinc/86/65/30/461866530.db2.gz PTACILBPHPTXEA-WMZOPIPTSA-N 2 2 333.382 3.018 10 0 EGAELP Cc1cc(CO)cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000647876491 461866533 /nfs/dbraw/zinc/86/65/33/461866533.db2.gz PTACILBPHPTXEA-WMZOPIPTSA-N 2 2 333.382 3.018 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647899622 461874948 /nfs/dbraw/zinc/87/49/48/461874948.db2.gz QVUZQFUYXHACRU-FHWLQOOXSA-N 2 2 343.515 3.403 10 0 EGAELP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000647899622 461874954 /nfs/dbraw/zinc/87/49/54/461874954.db2.gz QVUZQFUYXHACRU-FHWLQOOXSA-N 2 2 343.515 3.403 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900405 461876844 /nfs/dbraw/zinc/87/68/44/461876844.db2.gz AQGUQKMBIMYSNZ-KSZLIROESA-N 2 2 329.488 3.094 10 0 EGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900405 461876848 /nfs/dbraw/zinc/87/68/48/461876848.db2.gz AQGUQKMBIMYSNZ-KSZLIROESA-N 2 2 329.488 3.094 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1F ZINC000656791157 461901275 /nfs/dbraw/zinc/90/12/75/461901275.db2.gz UXHQWFGDMYKJQC-HKUYNNGSSA-N 2 2 328.431 3.378 10 0 EGAELP CCOc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000660678697 461921027 /nfs/dbraw/zinc/92/10/27/461921027.db2.gz YTQIUQIHXFDFCL-UHFFFAOYSA-N 2 2 325.456 3.235 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010174 461939438 /nfs/dbraw/zinc/93/94/38/461939438.db2.gz OBAQAMXXFPEWIZ-IEBWSBKVSA-N 2 2 326.488 3.485 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010174 461939446 /nfs/dbraw/zinc/93/94/46/461939446.db2.gz OBAQAMXXFPEWIZ-IEBWSBKVSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010174 461939451 /nfs/dbraw/zinc/93/94/51/461939451.db2.gz OBAQAMXXFPEWIZ-IEBWSBKVSA-N 2 2 326.488 3.485 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000648010174 461939456 /nfs/dbraw/zinc/93/94/56/461939456.db2.gz OBAQAMXXFPEWIZ-IEBWSBKVSA-N 2 2 326.488 3.485 10 0 EGAELP CCCC[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCc2ncsc2C1 ZINC000648076587 461970887 /nfs/dbraw/zinc/97/08/87/461970887.db2.gz ZGMMEECSJFBYCF-AWEZNQCLSA-N 2 2 347.532 3.102 10 0 EGAELP CCCC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCc2ncsc2C1 ZINC000648076587 461970891 /nfs/dbraw/zinc/97/08/91/461970891.db2.gz ZGMMEECSJFBYCF-AWEZNQCLSA-N 2 2 347.532 3.102 10 0 EGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)n1C ZINC000657326001 462048661 /nfs/dbraw/zinc/04/86/61/462048661.db2.gz QTQNBQRFKDLWNA-AWEZNQCLSA-N 2 2 336.233 3.104 10 0 EGAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccsc2)O1 ZINC000667680962 462210585 /nfs/dbraw/zinc/21/05/85/462210585.db2.gz XPZQDJOQDQSDJT-KBXCAEBGSA-N 2 2 340.452 3.291 10 0 EGAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](c2ccsc2)O1 ZINC000667680962 462210589 /nfs/dbraw/zinc/21/05/89/462210589.db2.gz XPZQDJOQDQSDJT-KBXCAEBGSA-N 2 2 340.452 3.291 10 0 EGAELP O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000657708623 462238674 /nfs/dbraw/zinc/23/86/74/462238674.db2.gz MMVOZENAXUWNFV-ROUUACIJSA-N 2 2 334.891 3.198 10 0 EGAELP Cc1[nH+]cn(CCCCc2noc(Cc3c[nH+]ccc3C)n2)c1C ZINC000664918631 462245732 /nfs/dbraw/zinc/24/57/32/462245732.db2.gz ZLNAJEDQXGMPOR-UHFFFAOYSA-N 2 2 325.416 3.200 10 0 EGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000648755513 462263343 /nfs/dbraw/zinc/26/33/43/462263343.db2.gz HUGGIWQUBSSGEH-CQSZACIVSA-N 2 2 344.459 3.076 10 0 EGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3CCN3Cc3ccccc3)c2)c[nH+]1 ZINC000657805576 462274622 /nfs/dbraw/zinc/27/46/22/462274622.db2.gz DGCHJTINPQVEHL-KRWDZBQOSA-N 2 2 338.480 3.298 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000657822133 462284664 /nfs/dbraw/zinc/28/46/64/462284664.db2.gz XNAOJBOKRSSDLA-SFHVURJKSA-N 2 2 345.487 3.156 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657836630 462289752 /nfs/dbraw/zinc/28/97/52/462289752.db2.gz WWLTXJHMUCEXPJ-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657836630 462289756 /nfs/dbraw/zinc/28/97/56/462289756.db2.gz WWLTXJHMUCEXPJ-SFTDATJTSA-N 2 2 346.515 3.072 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657872670 462304388 /nfs/dbraw/zinc/30/43/88/462304388.db2.gz SAIVRHDBGMRDRI-WMQCIHAUSA-N 2 2 346.515 3.243 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657872670 462304396 /nfs/dbraw/zinc/30/43/96/462304396.db2.gz SAIVRHDBGMRDRI-WMQCIHAUSA-N 2 2 346.515 3.243 10 0 EGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2ccccc2)cn1 ZINC000651720278 462315204 /nfs/dbraw/zinc/31/52/04/462315204.db2.gz VRVYCJJSPALRNV-ZWKOTPCHSA-N 2 2 339.483 3.368 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000658002031 462342818 /nfs/dbraw/zinc/34/28/18/462342818.db2.gz FYZNDZVNZGIYQG-ICSRJNTNSA-N 2 2 338.536 3.205 10 0 EGAELP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000658002031 462342820 /nfs/dbraw/zinc/34/28/20/462342820.db2.gz FYZNDZVNZGIYQG-ICSRJNTNSA-N 2 2 338.536 3.205 10 0 EGAELP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034195 462353065 /nfs/dbraw/zinc/35/30/65/462353065.db2.gz DGYJLDKNVPARFZ-HNNXBMFYSA-N 2 2 336.277 3.336 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053448 462359085 /nfs/dbraw/zinc/35/90/85/462359085.db2.gz AZEAHDWHSOFINL-CJNGLKHVSA-N 2 2 333.476 3.177 10 0 EGAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053448 462359090 /nfs/dbraw/zinc/35/90/90/462359090.db2.gz AZEAHDWHSOFINL-CJNGLKHVSA-N 2 2 333.476 3.177 10 0 EGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccccn2)cc1 ZINC000665254960 462370582 /nfs/dbraw/zinc/37/05/82/462370582.db2.gz DUPQSELIQQMOGY-BPAFIMBUSA-N 2 2 325.456 3.277 10 0 EGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000665256356 462373738 /nfs/dbraw/zinc/37/37/38/462373738.db2.gz XKNLRGITXXSZFF-UFYCRDLUSA-N 2 2 337.467 3.203 10 0 EGAELP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)n1C ZINC000651955220 462389889 /nfs/dbraw/zinc/38/98/89/462389889.db2.gz CSJKKCKHXXDPEA-INIZCTEOSA-N 2 2 330.451 3.222 10 0 EGAELP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)n1C ZINC000651955220 462389896 /nfs/dbraw/zinc/38/98/96/462389896.db2.gz CSJKKCKHXXDPEA-INIZCTEOSA-N 2 2 330.451 3.222 10 0 EGAELP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000528142795 478655168 /nfs/dbraw/zinc/65/51/68/478655168.db2.gz XWKRYHDEBVLVMR-QGZVFWFLSA-N 2 2 326.444 3.097 10 0 EGAELP COc1ccc(C[N@H+]2CC[C@@H]2CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000528142795 478655172 /nfs/dbraw/zinc/65/51/72/478655172.db2.gz XWKRYHDEBVLVMR-QGZVFWFLSA-N 2 2 326.444 3.097 10 0 EGAELP Cc1cc(NCCNC(=O)Nc2c(C)cc[nH+]c2C)nc(C(C)C)[nH+]1 ZINC000626559732 480409946 /nfs/dbraw/zinc/40/99/46/480409946.db2.gz NJUNDWVJTFOBTJ-UHFFFAOYSA-N 2 2 342.447 3.154 10 0 EGAELP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188401470 547146736 /nfs/dbraw/zinc/14/67/36/547146736.db2.gz YXFASFWKIPDTOI-CYBMUJFWSA-N 2 2 336.233 3.016 10 0 EGAELP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188401470 547146742 /nfs/dbraw/zinc/14/67/42/547146742.db2.gz YXFASFWKIPDTOI-CYBMUJFWSA-N 2 2 336.233 3.016 10 0 EGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(SC)cc1OC ZINC000188417401 547148984 /nfs/dbraw/zinc/14/89/84/547148984.db2.gz WQXQEILTDVHHHV-HNNXBMFYSA-N 2 2 347.484 3.287 10 0 EGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657396511 548168924 /nfs/dbraw/zinc/16/89/24/548168924.db2.gz KWIIAKSSPFUKEB-CQSZACIVSA-N 2 2 336.443 3.348 10 0 EGAELP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000674316933 548724450 /nfs/dbraw/zinc/72/44/50/548724450.db2.gz MIIVPLJKLCDWRN-UHFFFAOYSA-N 2 2 343.475 3.214 10 0 EGAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c[nH+]c2ccccn12 ZINC000675247321 548880184 /nfs/dbraw/zinc/88/01/84/548880184.db2.gz MREKKMMTFVHXNK-SFHVURJKSA-N 2 2 334.467 3.431 10 0 EGAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1c[nH+]c2ccccn12 ZINC000675247321 548880186 /nfs/dbraw/zinc/88/01/86/548880186.db2.gz MREKKMMTFVHXNK-SFHVURJKSA-N 2 2 334.467 3.431 10 0 EGAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000675739110 548970978 /nfs/dbraw/zinc/97/09/78/548970978.db2.gz GPPKCIFOQIXEEZ-HXUWFJFHSA-N 2 2 332.451 3.300 10 0 EGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000678496420 549508767 /nfs/dbraw/zinc/50/87/67/549508767.db2.gz DPWVKSBFXAXYQP-MRXNPFEDSA-N 2 2 338.480 3.439 10 0 EGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598230 549528778 /nfs/dbraw/zinc/52/87/78/549528778.db2.gz PBEZEBCWCSTFQU-RLLQIKCJSA-N 2 2 345.531 3.477 10 0 EGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598230 549528781 /nfs/dbraw/zinc/52/87/81/549528781.db2.gz PBEZEBCWCSTFQU-RLLQIKCJSA-N 2 2 345.531 3.477 10 0 EGAELP CC(C)([NH2+]Cc1c[nH+]cn1Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000682084923 550071137 /nfs/dbraw/zinc/07/11/37/550071137.db2.gz SIPXGAOGNRNPJF-UHFFFAOYSA-N 2 2 348.450 3.438 10 0 EGAELP C[NH+](C)CCOc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1 ZINC000683750458 550257488 /nfs/dbraw/zinc/25/74/88/550257488.db2.gz ACJRALWLMOHBDL-UHFFFAOYSA-N 2 2 328.391 3.255 10 0 EGAELP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)[NH+]2CCCC2)cc1 ZINC000684368137 550320601 /nfs/dbraw/zinc/32/06/01/550320601.db2.gz DZGPCDPIGTWLOV-HOJAQTOUSA-N 2 2 332.488 3.379 10 0 EGAELP Cc1cc[nH+]c(NCc2ccc(N3CCCC[C@H]3CCO)[nH+]c2)c1 ZINC000170034683 564104944 /nfs/dbraw/zinc/10/49/44/564104944.db2.gz ADNOGOJFRWNERP-KRWDZBQOSA-N 2 2 326.444 3.138 10 0 EGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000727932180 574704815 /nfs/dbraw/zinc/70/48/15/574704815.db2.gz XNSRVLPEENVUCU-JOCHJYFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000727932180 574704817 /nfs/dbraw/zinc/70/48/17/574704817.db2.gz XNSRVLPEENVUCU-JOCHJYFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000727932180 574704819 /nfs/dbraw/zinc/70/48/19/574704819.db2.gz XNSRVLPEENVUCU-JOCHJYFZSA-N 2 2 338.495 3.186 10 0 EGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000727932180 574704820 /nfs/dbraw/zinc/70/48/20/574704820.db2.gz XNSRVLPEENVUCU-JOCHJYFZSA-N 2 2 338.495 3.186 10 0 EGAELP COc1cccc2cc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)oc21 ZINC000742700401 576793619 /nfs/dbraw/zinc/79/36/19/576793619.db2.gz ACSIASBUALWMTH-UHFFFAOYSA-N 2 2 334.379 3.312 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432404 1298317627 /nfs/dbraw/zinc/31/76/27/1298317627.db2.gz AJSSHAAGYFRUSY-SUZMYJTESA-N 2 2 329.669 3.272 10 0 EGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432404 1298317631 /nfs/dbraw/zinc/31/76/31/1298317631.db2.gz AJSSHAAGYFRUSY-SUZMYJTESA-N 2 2 329.669 3.272 10 0 EGAELP CC1CC[NH+](CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000072786460 1292290904 /nfs/dbraw/zinc/29/09/04/1292290904.db2.gz MBCYKJDOVPGHBW-UHFFFAOYSA-N 3 2 329.532 3.363 10 0 EGAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000227005044 1296141682 /nfs/dbraw/zinc/14/16/82/1296141682.db2.gz UQDWAQPOCYBYAP-CZUORRHYSA-N 2 2 325.294 3.452 10 0 EGAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000227005044 1296141684 /nfs/dbraw/zinc/14/16/84/1296141684.db2.gz UQDWAQPOCYBYAP-CZUORRHYSA-N 2 2 325.294 3.452 10 0 EGAELP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151853 1296768906 /nfs/dbraw/zinc/76/89/06/1296768906.db2.gz YFRTUUSIOKUQOV-CMPLNLGQSA-N 2 2 342.283 3.154 10 0 EGAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151853 1296768915 /nfs/dbraw/zinc/76/89/15/1296768915.db2.gz YFRTUUSIOKUQOV-CMPLNLGQSA-N 2 2 342.283 3.154 10 0 EGAELP Cc1c[nH+]c(-c2cccnc2)n1CC1CC[NH+](C2CCOCC2)CC1 ZINC000581808713 1298016918 /nfs/dbraw/zinc/01/69/18/1298016918.db2.gz ZAQKYLUHNALYGN-UHFFFAOYSA-N 2 2 340.471 3.145 10 0 EGAELP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345958 1299933065 /nfs/dbraw/zinc/93/30/65/1299933065.db2.gz YAZVMHZDJURCHC-VQIMIIECSA-N 2 2 341.455 3.251 10 0 EGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050667 1306192493 /nfs/dbraw/zinc/19/24/93/1306192493.db2.gz SPNSBHCUCWSVPZ-WMLDXEAASA-N 2 2 335.492 3.087 10 0 EGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050667 1306192494 /nfs/dbraw/zinc/19/24/94/1306192494.db2.gz SPNSBHCUCWSVPZ-WMLDXEAASA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050667 1306192498 /nfs/dbraw/zinc/19/24/98/1306192498.db2.gz SPNSBHCUCWSVPZ-WMLDXEAASA-N 2 2 335.492 3.087 10 0 EGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C(C)C)[nH]2)[C@@H](C)C1 ZINC000894050667 1306192499 /nfs/dbraw/zinc/19/24/99/1306192499.db2.gz SPNSBHCUCWSVPZ-WMLDXEAASA-N 2 2 335.492 3.087 10 0 EGAELP CC(C)(C)OC(=O)NCCCN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110504 1309195248 /nfs/dbraw/zinc/19/52/48/1309195248.db2.gz NQMIYFAEZQZSSH-WKILWMFISA-N 2 2 348.491 3.073 10 0 EGAELP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC000898898729 1310864462 /nfs/dbraw/zinc/86/44/62/1310864462.db2.gz ADXSYTLPPHMZRZ-UHFFFAOYSA-N 2 2 340.471 3.034 10 0 EGAELP C[N@H+](CCc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796599 1328703579 /nfs/dbraw/zinc/70/35/79/1328703579.db2.gz BSWPKWKUOKDKBF-UHFFFAOYSA-N 2 2 341.474 3.402 10 0 EGAELP C[N@@H+](CCc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796599 1328703582 /nfs/dbraw/zinc/70/35/82/1328703582.db2.gz BSWPKWKUOKDKBF-UHFFFAOYSA-N 2 2 341.474 3.402 10 0 EGAELP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)NC(=O)OC(C)(C)C ZINC000858533417 1328789871 /nfs/dbraw/zinc/78/98/71/1328789871.db2.gz SGITXHGVHYAUGX-INMHGKMJSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)NC(=O)OC(C)(C)C ZINC000858533417 1328789875 /nfs/dbraw/zinc/78/98/75/1328789875.db2.gz SGITXHGVHYAUGX-INMHGKMJSA-N 2 2 339.524 3.285 10 0 EGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532620 1322342480 /nfs/dbraw/zinc/34/24/80/1322342480.db2.gz MBIGXBAXUSTYTO-BRWVUGGUSA-N 2 2 339.524 3.144 10 0 EGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921532620 1322342484 /nfs/dbraw/zinc/34/24/84/1322342484.db2.gz MBIGXBAXUSTYTO-BRWVUGGUSA-N 2 2 339.524 3.144 10 0 EGAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921921654 1322423751 /nfs/dbraw/zinc/42/37/51/1322423751.db2.gz IJTVYSXHNAMICP-RDPOXOKHSA-N 2 2 343.515 3.402 10 0 EGAELP CCO[C@@H](C[NH2+]Cc1ccc(-c2scnc2C)cc1)C[NH+](C)C ZINC000922756944 1322611422 /nfs/dbraw/zinc/61/14/22/1322611422.db2.gz VIXOEIYQOKJDBB-KRWDZBQOSA-N 2 2 333.501 3.175 10 0 EGAELP CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)n1 ZINC000922865174 1322635312 /nfs/dbraw/zinc/63/53/12/1322635312.db2.gz VNMUTJBESYSGKH-STQMWFEESA-N 2 2 343.456 3.305 10 0 EGAELP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c2ccccc12 ZINC000922955757 1322660325 /nfs/dbraw/zinc/66/03/25/1322660325.db2.gz NEFIHGPYYXSDIN-KRWDZBQOSA-N 2 2 328.431 3.322 10 0 EGAELP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c2ccccc12 ZINC000922955757 1322660331 /nfs/dbraw/zinc/66/03/31/1322660331.db2.gz NEFIHGPYYXSDIN-KRWDZBQOSA-N 2 2 328.431 3.322 10 0 EGAELP Cn1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1C(F)(F)F ZINC000923508296 1322765645 /nfs/dbraw/zinc/76/56/45/1322765645.db2.gz UHHZAINKADGVHB-CYBMUJFWSA-N 2 2 344.425 3.041 10 0 EGAELP CC1(C)CC2(CC([NH2+]CC3([NH+]4CCSCC4)CCCC3)C2)CO1 ZINC000924654630 1323095147 /nfs/dbraw/zinc/09/51/47/1323095147.db2.gz DQUZQXJRVZQXKW-UHFFFAOYSA-N 2 2 338.561 3.285 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccns1 ZINC000924775801 1323156501 /nfs/dbraw/zinc/15/65/01/1323156501.db2.gz ISYICXJXZKFWRP-GJZGRUSLSA-N 2 2 331.485 3.215 10 0 EGAELP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccns1 ZINC000924775801 1323156507 /nfs/dbraw/zinc/15/65/07/1323156507.db2.gz ISYICXJXZKFWRP-GJZGRUSLSA-N 2 2 331.485 3.215 10 0 EGAELP Cc1nnsc1[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747865 1329176727 /nfs/dbraw/zinc/17/67/27/1329176727.db2.gz XFGYIMIMWLGWOM-RYQLBKOJSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747865 1329176732 /nfs/dbraw/zinc/17/67/32/1329176732.db2.gz XFGYIMIMWLGWOM-RYQLBKOJSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747865 1329176737 /nfs/dbraw/zinc/17/67/37/1329176737.db2.gz XFGYIMIMWLGWOM-RYQLBKOJSA-N 2 2 342.512 3.361 10 0 EGAELP Cc1nnsc1[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747865 1329176740 /nfs/dbraw/zinc/17/67/40/1329176740.db2.gz XFGYIMIMWLGWOM-RYQLBKOJSA-N 2 2 342.512 3.361 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540165 1325198662 /nfs/dbraw/zinc/19/86/62/1325198662.db2.gz AKYSXEMJIJOQDU-JFHUYLGKSA-N 3 2 341.543 3.406 10 0 EGAELP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000925540165 1325198668 /nfs/dbraw/zinc/19/86/68/1325198668.db2.gz AKYSXEMJIJOQDU-JFHUYLGKSA-N 3 2 341.543 3.406 10 0 EGAELP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925557473 1325206730 /nfs/dbraw/zinc/20/67/30/1325206730.db2.gz ORQXSGVGMLDNAS-OKZBNKHCSA-N 2 2 349.906 3.080 10 0 EGAELP c1ccc(CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c2ccccn2)cc1 ZINC000925725362 1325271067 /nfs/dbraw/zinc/27/10/67/1325271067.db2.gz SPUAUSJHNHTUTI-RLZRBERESA-N 2 2 333.479 3.342 10 0 EGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1nc2ccc(Cl)cc2n1C ZINC000925774858 1325293406 /nfs/dbraw/zinc/29/34/06/1325293406.db2.gz ACRGKQKXJXXRQK-QWRGUYRKSA-N 2 2 342.821 3.122 10 0 EGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)(F)F ZINC000925777194 1325297571 /nfs/dbraw/zinc/29/75/71/1325297571.db2.gz CASWPVHDBDQZOE-WDEREUQCSA-N 2 2 338.320 3.481 10 0 EGAELP c1nnc([C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc2)[nH]1 ZINC000925810346 1325311478 /nfs/dbraw/zinc/31/14/78/1325311478.db2.gz ZEAUNVQWYPYMEH-SFHVURJKSA-N 2 2 327.476 3.044 10 0 EGAELP Cc1nc2c(o1)CCC[C@H]2Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000925935449 1325363385 /nfs/dbraw/zinc/36/33/85/1325363385.db2.gz DOKNEGLRQOJQRB-JKSUJKDBSA-N 2 2 341.459 3.008 10 0 EGAELP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)cc(F)c1 ZINC000925937273 1325363457 /nfs/dbraw/zinc/36/34/57/1325363457.db2.gz RTDACVIHEPVSFI-GUYCJALGSA-N 2 2 344.434 3.240 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000926112315 1325432286 /nfs/dbraw/zinc/43/22/86/1325432286.db2.gz RVRKKOGUGSUUGY-AEFFLSMTSA-N 2 2 327.472 3.326 10 0 EGAELP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000926112315 1325432293 /nfs/dbraw/zinc/43/22/93/1325432293.db2.gz RVRKKOGUGSUUGY-AEFFLSMTSA-N 2 2 327.472 3.326 10 0 EGAELP CCO[C@H](C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C)C[NH+](C)C ZINC000926960249 1327797671 /nfs/dbraw/zinc/79/76/71/1327797671.db2.gz FXZJLZVTSOOUKK-CZUORRHYSA-N 2 2 348.516 3.131 10 0 EGAELP Cc1nc2c(cccc2CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000926971465 1327804427 /nfs/dbraw/zinc/80/44/27/1327804427.db2.gz GHGCHTAXYDWEJF-UHFFFAOYSA-N 2 2 336.439 3.332 10 0 EGAELP CC(=O)NCC1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000865552142 1329712812 /nfs/dbraw/zinc/71/28/12/1329712812.db2.gz KQNLAHZYQFRCGJ-UHFFFAOYSA-N 2 2 349.563 3.317 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccncc2Br)C1 ZINC000866708695 1330143603 /nfs/dbraw/zinc/14/36/03/1330143603.db2.gz NUIWQXMEMCLBKD-HNNXBMFYSA-N 2 2 326.282 3.041 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704936 1330143145 /nfs/dbraw/zinc/14/31/45/1330143145.db2.gz REDGGXRUWLTDMM-KUHUBIRLSA-N 2 2 335.467 3.158 10 0 EGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000866704936 1330143147 /nfs/dbraw/zinc/14/31/47/1330143147.db2.gz REDGGXRUWLTDMM-KUHUBIRLSA-N 2 2 335.467 3.158 10 0 EGAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccncc2Br)C1 ZINC000866708695 1330143602 /nfs/dbraw/zinc/14/36/02/1330143602.db2.gz NUIWQXMEMCLBKD-HNNXBMFYSA-N 2 2 326.282 3.041 10 0 EGAELP CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641841 1387415732 /nfs/dbraw/zinc/41/57/32/1387415732.db2.gz KUKAIPIQQNZFMD-ZWKOTPCHSA-N 2 2 346.519 3.236 10 0 EGAELP CCCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001323641841 1387415733 /nfs/dbraw/zinc/41/57/33/1387415733.db2.gz KUKAIPIQQNZFMD-ZWKOTPCHSA-N 2 2 346.519 3.236 10 0 EGAELP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001323992379 1387505742 /nfs/dbraw/zinc/50/57/42/1387505742.db2.gz BEIXXIGIYYBMJU-LPHOPBHVSA-N 2 2 340.471 3.128 10 0 EGAELP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCC2CCCCC2)C1 ZINC001324962305 1387857738 /nfs/dbraw/zinc/85/77/38/1387857738.db2.gz YPAKSDHDOYYGFV-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCC2CCCCC2)C1 ZINC001324962305 1387857741 /nfs/dbraw/zinc/85/77/41/1387857741.db2.gz YPAKSDHDOYYGFV-FQEVSTJZSA-N 2 2 346.519 3.141 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324979892 1387870259 /nfs/dbraw/zinc/87/02/59/1387870259.db2.gz ZALCSLBEYTXEIE-FQEVSTJZSA-N 2 2 348.535 3.007 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324979892 1387870269 /nfs/dbraw/zinc/87/02/69/1387870269.db2.gz ZALCSLBEYTXEIE-FQEVSTJZSA-N 2 2 348.535 3.007 10 0 EGAELP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430303 1387971248 /nfs/dbraw/zinc/97/12/48/1387971248.db2.gz XIDPBKQSTRNSPX-JKSUJKDBSA-N 2 2 342.487 3.211 10 0 EGAELP c1cc(C[NH2+]Cc2cccc3cnccc32)cc(C[NH+]2CCOCC2)c1 ZINC001199392102 1369219180 /nfs/dbraw/zinc/21/91/80/1369219180.db2.gz NJIJXZHEWXBZAC-UHFFFAOYSA-N 2 2 347.462 3.357 10 0 EGAELP Brc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001199896592 1369286809 /nfs/dbraw/zinc/28/68/09/1369286809.db2.gz OGYBUIPOAVAHEK-UHFFFAOYSA-N 2 2 343.228 3.320 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266468337 1377315184 /nfs/dbraw/zinc/31/51/84/1377315184.db2.gz OFFAIRLGMUSEAG-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266468337 1377315186 /nfs/dbraw/zinc/31/51/86/1377315186.db2.gz OFFAIRLGMUSEAG-QZTJIDSGSA-N 2 2 334.508 3.097 10 0 EGAELP CC(C)C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC001136405264 1377389922 /nfs/dbraw/zinc/38/99/22/1377389922.db2.gz OUEFTENCHYSGFH-FGTMMUONSA-N 2 2 348.535 3.343 10 0 EGAELP CC(C)C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC001136405264 1377389925 /nfs/dbraw/zinc/38/99/25/1377389925.db2.gz OUEFTENCHYSGFH-FGTMMUONSA-N 2 2 348.535 3.343 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001267730797 1377467273 /nfs/dbraw/zinc/46/72/73/1377467273.db2.gz AEYTVVANPXXUBG-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001267730797 1377467275 /nfs/dbraw/zinc/46/72/75/1377467275.db2.gz AEYTVVANPXXUBG-WMZOPIPTSA-N 2 2 346.519 3.241 10 0 EGAELP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001270830488 1377615267 /nfs/dbraw/zinc/61/52/67/1377615267.db2.gz RKJPPQFLOVRPCD-HXUWFJFHSA-N 2 2 346.519 3.096 10 0 EGAELP CCC1([NH2+]CC2CCC2)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001327455945 1388524146 /nfs/dbraw/zinc/52/41/46/1388524146.db2.gz UBCASWSJOSRRCE-UHFFFAOYSA-N 2 2 340.471 3.337 10 0 EGAELP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001282469274 1378508435 /nfs/dbraw/zinc/50/84/35/1378508435.db2.gz PRYWIPPCSIJFCI-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001282469274 1378508438 /nfs/dbraw/zinc/50/84/38/1378508438.db2.gz PRYWIPPCSIJFCI-IAGOWNOFSA-N 2 2 342.487 3.033 10 0 EGAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001149004639 1379310619 /nfs/dbraw/zinc/31/06/19/1379310619.db2.gz PGVPYLPPGIINNR-UHFFFAOYSA-N 2 2 348.450 3.424 10 0 EGAELP CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001284308367 1379696372 /nfs/dbraw/zinc/69/63/72/1379696372.db2.gz ACUMPIJJCIMILR-KRWDZBQOSA-N 2 2 342.487 3.355 10 0 EGAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630885 1380034789 /nfs/dbraw/zinc/03/47/89/1380034789.db2.gz KMFULOPYDAWPHZ-WMLDXEAASA-N 2 2 348.535 3.145 10 0 EGAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630885 1380034796 /nfs/dbraw/zinc/03/47/96/1380034796.db2.gz KMFULOPYDAWPHZ-WMLDXEAASA-N 2 2 348.535 3.145 10 0 EGAELP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC001328718213 1388823730 /nfs/dbraw/zinc/82/37/30/1388823730.db2.gz YQGRMYLDSYCVBL-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC001328718213 1388823733 /nfs/dbraw/zinc/82/37/33/1388823733.db2.gz YQGRMYLDSYCVBL-SJORKVTESA-N 2 2 326.488 3.470 10 0 EGAELP COc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164253 1384103970 /nfs/dbraw/zinc/10/39/70/1384103970.db2.gz AJKYKUKMGRXNGN-INIZCTEOSA-N 2 2 328.460 3.421 10 0 EGAELP COc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164253 1384103973 /nfs/dbraw/zinc/10/39/73/1384103973.db2.gz AJKYKUKMGRXNGN-INIZCTEOSA-N 2 2 328.460 3.421 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC001308887107 1384157290 /nfs/dbraw/zinc/15/72/90/1384157290.db2.gz FRAHQESBMUETKY-UHFFFAOYSA-N 2 2 344.499 3.164 10 0 EGAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCCC2(CC2)CC1 ZINC001308887107 1384157292 /nfs/dbraw/zinc/15/72/92/1384157292.db2.gz FRAHQESBMUETKY-UHFFFAOYSA-N 2 2 344.499 3.164 10 0 EGAELP CCCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001316719879 1384539134 /nfs/dbraw/zinc/53/91/34/1384539134.db2.gz JDRAELPXJHGNOD-LZQZEXGQSA-N 2 2 346.519 3.138 10 0 EGAELP CCCCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001316719879 1384539137 /nfs/dbraw/zinc/53/91/37/1384539137.db2.gz JDRAELPXJHGNOD-LZQZEXGQSA-N 2 2 346.519 3.138 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001316769036 1384568517 /nfs/dbraw/zinc/56/85/17/1384568517.db2.gz GMASOPCWTMGPBP-QZTJIDSGSA-N 2 2 334.508 3.240 10 0 EGAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001316874677 1384659213 /nfs/dbraw/zinc/65/92/13/1384659213.db2.gz CHZHNQVVMWBLQE-HKUYNNGSSA-N 2 2 346.519 3.213 10 0 EGAELP CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC(C)C)CC1 ZINC001317004707 1384764829 /nfs/dbraw/zinc/76/48/29/1384764829.db2.gz BXWBECNFLNSONB-QGZVFWFLSA-N 2 2 348.535 3.337 10 0 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CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001332731927 1390171691 /nfs/dbraw/zinc/17/16/91/1390171691.db2.gz FIQRYFNYYDYYTJ-GOSISDBHSA-N 2 2 342.487 3.203 10 0 EGAELP CC[NH+](CC)CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001351105487 1391598151 /nfs/dbraw/zinc/59/81/51/1391598151.db2.gz AMIZIMSJFHTFBP-FUHWJXTLSA-N 2 2 328.460 3.034 10 0 EGAELP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC001353232912 1391968540 /nfs/dbraw/zinc/96/85/40/1391968540.db2.gz YPCBAPYOJQFBPH-RBUKOAKNSA-N 2 2 339.414 3.166 10 0 EGAELP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747399 1392364787 /nfs/dbraw/zinc/36/47/87/1392364787.db2.gz YEERTZKHFUCHKS-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001479747399 1392364791 /nfs/dbraw/zinc/36/47/91/1392364791.db2.gz YEERTZKHFUCHKS-QZTJIDSGSA-N 2 2 348.535 3.487 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479959968 1392495396 /nfs/dbraw/zinc/49/53/96/1392495396.db2.gz UFABXFZUTITACK-GOSISDBHSA-N 2 2 340.471 3.113 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479959968 1392495398 /nfs/dbraw/zinc/49/53/98/1392495398.db2.gz UFABXFZUTITACK-GOSISDBHSA-N 2 2 340.471 3.113 10 0 EGAELP CCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC2CCCC2)CC1 ZINC001479993297 1392524508 /nfs/dbraw/zinc/52/45/08/1392524508.db2.gz LOKFMKMJFUDSML-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP CCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC2CCCC2)CC1 ZINC001479993297 1392524514 /nfs/dbraw/zinc/52/45/14/1392524514.db2.gz LOKFMKMJFUDSML-UHFFFAOYSA-N 2 2 346.519 3.236 10 0 EGAELP CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC[NH+](CC)CC1 ZINC001479993089 1392524892 /nfs/dbraw/zinc/52/48/92/1392524892.db2.gz JPCJRPVRWBYAIP-SFHVURJKSA-N 2 2 334.508 3.193 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1)n1cc[nH+]c1 ZINC001480328448 1392687889 /nfs/dbraw/zinc/68/78/89/1392687889.db2.gz SZPDQFRFADTFQI-WBVHZDCISA-N 2 2 346.500 3.067 10 0 EGAELP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1)n1cc[nH+]c1 ZINC001480328448 1392687892 /nfs/dbraw/zinc/68/78/92/1392687892.db2.gz SZPDQFRFADTFQI-WBVHZDCISA-N 2 2 346.500 3.067 10 0 EGAELP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480373522 1392716018 /nfs/dbraw/zinc/71/60/18/1392716018.db2.gz QMOFBQWFPFMLNM-RBUKOAKNSA-N 2 2 346.519 3.165 10 0 EGAELP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480373522 1392716020 /nfs/dbraw/zinc/71/60/20/1392716020.db2.gz QMOFBQWFPFMLNM-RBUKOAKNSA-N 2 2 346.519 3.165 10 0 EGAELP CCC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001481148558 1393134408 /nfs/dbraw/zinc/13/44/08/1393134408.db2.gz NCEIRVRQBGAKBQ-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP CCC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)c1cc(C)ccc1C ZINC001481148558 1393134409 /nfs/dbraw/zinc/13/44/09/1393134409.db2.gz NCEIRVRQBGAKBQ-KRWDZBQOSA-N 2 2 342.487 3.158 10 0 EGAELP C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001481338951 1393167142 /nfs/dbraw/zinc/16/71/42/1393167142.db2.gz FMOOCXBCUUEICJ-MRXNPFEDSA-N 2 2 344.503 3.059 10 0 EGAELP CCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698937190 1406677296 /nfs/dbraw/zinc/67/72/96/1406677296.db2.gz IQTMYSCNNWJPHG-WBVHZDCISA-N 2 2 334.508 3.058 10 0 EGAELP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481410607 1394269076 /nfs/dbraw/zinc/26/90/76/1394269076.db2.gz KFUZMMDJBPVVCO-INIZCTEOSA-N 2 2 334.508 3.010 10 0 EGAELP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481410607 1394269079 /nfs/dbraw/zinc/26/90/79/1394269079.db2.gz KFUZMMDJBPVVCO-INIZCTEOSA-N 2 2 334.508 3.010 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001491218622 1394477104 /nfs/dbraw/zinc/47/71/04/1394477104.db2.gz IGGGVOQJRCWMOX-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001491218622 1394477108 /nfs/dbraw/zinc/47/71/08/1394477108.db2.gz IGGGVOQJRCWMOX-LJQANCHMSA-N 2 2 346.519 3.214 10 0 EGAELP CCC(CC)C[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001491355984 1394510346 /nfs/dbraw/zinc/51/03/46/1394510346.db2.gz JTHUJWZCPVWAPW-UHFFFAOYSA-N 2 2 348.535 3.380 10 0 EGAELP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001482016220 1394673075 /nfs/dbraw/zinc/67/30/75/1394673075.db2.gz WKDOXQRCRBGCED-ZTFGCOKTSA-N 2 2 342.487 3.319 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001482421668 1394984110 /nfs/dbraw/zinc/98/41/10/1394984110.db2.gz BBBSEGLGKRRCHC-AEFFLSMTSA-N 2 2 348.535 3.189 10 0 EGAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482457911 1395016408 /nfs/dbraw/zinc/01/64/08/1395016408.db2.gz YUWYRLGXLOYIFI-IBGZPJMESA-N 2 2 344.503 3.204 10 0 EGAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001482475679 1395030493 /nfs/dbraw/zinc/03/04/93/1395030493.db2.gz YAHXZTDGTUGFKU-MSOLQXFVSA-N 2 2 348.535 3.189 10 0 EGAELP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483951568 1395159179 /nfs/dbraw/zinc/15/91/79/1395159179.db2.gz BIPDVXXDJVUYDJ-HNNXBMFYSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)=CC[NH+]1CCC(C)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484139722 1395276376 /nfs/dbraw/zinc/27/63/76/1395276376.db2.gz XHLJGMNIPPNQOV-UHFFFAOYSA-N 2 2 340.471 3.132 10 0 EGAELP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001484374442 1395349551 /nfs/dbraw/zinc/34/95/51/1395349551.db2.gz VTDXYFOGCGOZLG-KDOFPFPSSA-N 2 2 329.488 3.105 10 0 EGAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001485176243 1395685706 /nfs/dbraw/zinc/68/57/06/1395685706.db2.gz VDRIREKFDAZNIJ-HOTGVXAUSA-N 2 2 325.456 3.303 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001491959860 1396301077 /nfs/dbraw/zinc/30/10/77/1396301077.db2.gz QGLFAEUSXAACSJ-DLBZAZTESA-N 2 2 348.535 3.292 10 0 EGAELP 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ZINC001689188108 1396964849 /nfs/dbraw/zinc/96/48/49/1396964849.db2.gz LZDSZZYVVXTJOS-FGTMMUONSA-N 2 2 334.508 3.240 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094540 1404295856 /nfs/dbraw/zinc/29/58/56/1404295856.db2.gz JCGORWBFSGYPJS-ROUUACIJSA-N 2 2 346.519 3.097 10 0 EGAELP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001690094540 1404295857 /nfs/dbraw/zinc/29/58/57/1404295857.db2.gz JCGORWBFSGYPJS-ROUUACIJSA-N 2 2 346.519 3.097 10 0 EGAELP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690127926 1404322275 /nfs/dbraw/zinc/32/22/75/1404322275.db2.gz GZUMSGJYLXNJOG-FUHWJXTLSA-N 2 2 346.519 3.241 10 0 EGAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001690490860 1404604593 /nfs/dbraw/zinc/60/45/93/1404604593.db2.gz FWPXADLYKZPIEX-QVOQXLMASA-N 2 2 344.503 3.085 10 0 EGAELP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001690490860 1404604594 /nfs/dbraw/zinc/60/45/94/1404604594.db2.gz FWPXADLYKZPIEX-QVOQXLMASA-N 2 2 344.503 3.085 10 0 EGAELP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001690781770 1404729831 /nfs/dbraw/zinc/72/98/31/1404729831.db2.gz SYVUNZCUJDINBS-SJORKVTESA-N 2 2 342.487 3.002 10 0 EGAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001690919660 1404830427 /nfs/dbraw/zinc/83/04/27/1404830427.db2.gz VTASGFLEHLETKO-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001690919660 1404830444 /nfs/dbraw/zinc/83/04/44/1404830444.db2.gz VTASGFLEHLETKO-IBGZPJMESA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001690950402 1404859809 /nfs/dbraw/zinc/85/98/09/1404859809.db2.gz WYQRDOLJNZMCKM-SFHVURJKSA-N 2 2 332.492 3.019 10 0 EGAELP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC001690950402 1404859815 /nfs/dbraw/zinc/85/98/15/1404859815.db2.gz WYQRDOLJNZMCKM-SFHVURJKSA-N 2 2 332.492 3.019 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]CC1CCC(C)(C)CC1 ZINC001725412992 1426057722 /nfs/dbraw/zinc/05/77/22/1426057722.db2.gz MJPLMFVGAZKRRP-OAHLLOKOSA-N 2 2 348.535 3.352 10 0 EGAELP CCCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732002694 1428213523 /nfs/dbraw/zinc/21/35/23/1428213523.db2.gz NLCCIJFWZPIBSD-OAHLLOKOSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691362109 1405214037 /nfs/dbraw/zinc/21/40/37/1405214037.db2.gz DJXWIRPXJSLQHI-SJORKVTESA-N 2 2 340.471 3.131 10 0 EGAELP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691620810 1405361676 /nfs/dbraw/zinc/36/16/76/1405361676.db2.gz OIFLNXYVQALCEZ-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691620810 1405361679 /nfs/dbraw/zinc/36/16/79/1405361679.db2.gz OIFLNXYVQALCEZ-IBGZPJMESA-N 2 2 346.519 3.283 10 0 EGAELP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001691625482 1405363476 /nfs/dbraw/zinc/36/34/76/1405363476.db2.gz HSVJLFJMCXKVIR-GOSISDBHSA-N 2 2 348.535 3.150 10 0 EGAELP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001691682251 1405417489 /nfs/dbraw/zinc/41/74/89/1405417489.db2.gz GZUMBSLWRKMYOZ-IAGOWNOFSA-N 2 2 332.492 3.017 10 0 EGAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CC[NH2+]CCCF ZINC001691997729 1405712508 /nfs/dbraw/zinc/71/25/08/1405712508.db2.gz HDGQAKWHVUCXCB-RDTXWAMCSA-N 2 2 346.450 3.143 10 0 EGAELP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692332751 1405952176 /nfs/dbraw/zinc/95/21/76/1405952176.db2.gz FAKLTNHXUUWUQY-KRWDZBQOSA-N 2 2 348.535 3.484 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001731998104 1428207897 /nfs/dbraw/zinc/20/78/97/1428207897.db2.gz AAHMTMJOTXBPQW-SDKBWNRFSA-N 2 2 346.519 3.161 10 0 EGAELP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001731998104 1428207900 /nfs/dbraw/zinc/20/79/00/1428207900.db2.gz 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342.487 3.275 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714863091 1419587552 /nfs/dbraw/zinc/58/75/52/1419587552.db2.gz AJSCQXCDSGLJBS-HNNXBMFYSA-N 2 2 342.487 3.441 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714863091 1419587555 /nfs/dbraw/zinc/58/75/55/1419587555.db2.gz AJSCQXCDSGLJBS-HNNXBMFYSA-N 2 2 342.487 3.441 10 0 EGAELP CC1(C)CC(C[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C2CCCCC2)C1 ZINC001714979723 1419714377 /nfs/dbraw/zinc/71/43/77/1419714377.db2.gz RDBLAXSHCQCGPJ-GOSISDBHSA-N 2 2 346.519 3.043 10 0 EGAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCCC1CCC1 ZINC001715056898 1419797122 /nfs/dbraw/zinc/79/71/22/1419797122.db2.gz LDTLHKWWVVTZBY-SFHVURJKSA-N 2 2 342.487 3.321 10 0 EGAELP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001715092861 1419833317 /nfs/dbraw/zinc/83/33/17/1419833317.db2.gz CLPLVNYNAKTNAC-QGZVFWFLSA-N 2 2 346.519 3.044 10 0 EGAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001715401363 1420100131 /nfs/dbraw/zinc/10/01/31/1420100131.db2.gz MWCIOZPJZDNVFW-APWZRJJASA-N 2 2 346.519 3.139 10 0 EGAELP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001715409032 1420106173 /nfs/dbraw/zinc/10/61/73/1420106173.db2.gz DWVODJKGNNPANG-YJBOKZPZSA-N 2 2 329.488 3.413 10 0 EGAELP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715439537 1420124417 /nfs/dbraw/zinc/12/44/17/1420124417.db2.gz XJKPWMMNLHVPEO-MSOLQXFVSA-N 2 2 334.508 3.241 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccsc1 ZINC001715828951 1420359427 /nfs/dbraw/zinc/35/94/27/1420359427.db2.gz QOSKTHLUBNQITI-HNNXBMFYSA-N 2 2 348.516 3.049 10 0 EGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001715828951 1420359429 /nfs/dbraw/zinc/35/94/29/1420359429.db2.gz QOSKTHLUBNQITI-HNNXBMFYSA-N 2 2 348.516 3.049 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716148021 1420542098 /nfs/dbraw/zinc/54/20/98/1420542098.db2.gz FFADAWHLFXPVHH-USXIJHARSA-N 2 2 346.519 3.214 10 0 EGAELP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716148021 1420542101 /nfs/dbraw/zinc/54/21/01/1420542101.db2.gz FFADAWHLFXPVHH-USXIJHARSA-N 2 2 346.519 3.214 10 0 EGAELP CC(C)(C)C1CCC(C[NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001716348299 1420613747 /nfs/dbraw/zinc/61/37/47/1420613747.db2.gz VAIKZRBWDXIUHP-SNAWJCMRSA-N 2 2 346.519 3.067 10 0 EGAELP C[C@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001716404656 1420637707 /nfs/dbraw/zinc/63/77/07/1420637707.db2.gz VIKIIWWEQUNNDF-OCKNTNFFSA-N 2 2 348.450 3.146 10 0 EGAELP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716514975 1420744964 /nfs/dbraw/zinc/74/49/64/1420744964.db2.gz QHSRYFKGJIPQNP-RDJZCZTQSA-N 2 2 340.471 3.407 10 0 EGAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1ccccc1C(C)C ZINC001716580903 1420767382 /nfs/dbraw/zinc/76/73/82/1420767382.db2.gz RRTYOCHJKYUUAI-UHFFFAOYSA-N 2 2 342.487 3.022 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716710438 1420863374 /nfs/dbraw/zinc/86/33/74/1420863374.db2.gz CXBIIKJSRZGCOU-XMTFNYHQSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716710438 1420863376 /nfs/dbraw/zinc/86/33/76/1420863376.db2.gz CXBIIKJSRZGCOU-XMTFNYHQSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716710438 1420863378 /nfs/dbraw/zinc/86/33/78/1420863378.db2.gz CXBIIKJSRZGCOU-XMTFNYHQSA-N 2 2 344.503 3.015 10 0 EGAELP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716710438 1420863380 /nfs/dbraw/zinc/86/33/80/1420863380.db2.gz CXBIIKJSRZGCOU-XMTFNYHQSA-N 2 2 344.503 3.015 10 0 EGAELP CCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001716973957 1421058424 /nfs/dbraw/zinc/05/84/24/1421058424.db2.gz TULDKMPDYJPXTK-JKSUJKDBSA-N 2 2 334.508 3.094 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030189 1421083734 /nfs/dbraw/zinc/08/37/34/1421083734.db2.gz BSQYOMDHBCNNBR-GUDVDZBRSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001717030189 1421083737 /nfs/dbraw/zinc/08/37/37/1421083737.db2.gz BSQYOMDHBCNNBR-GUDVDZBRSA-N 2 2 346.519 3.192 10 0 EGAELP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001733289032 1429465963 /nfs/dbraw/zinc/46/59/63/1429465963.db2.gz OOZSKIVRYYQQLF-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001733289032 1429465966 /nfs/dbraw/zinc/46/59/66/1429465966.db2.gz OOZSKIVRYYQQLF-HXUWFJFHSA-N 2 2 346.519 3.024 10 0 EGAELP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001717449913 1421380100 /nfs/dbraw/zinc/38/01/00/1421380100.db2.gz SLISLIRJDRRLOU-AATRIKPKSA-N 2 2 346.519 3.068 10 0 EGAELP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717540774 1421481288 /nfs/dbraw/zinc/48/12/88/1421481288.db2.gz SDFIRRGIPKQHOL-ZWKOTPCHSA-N 2 2 334.508 3.241 10 0 EGAELP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717540774 1421481290 /nfs/dbraw/zinc/48/12/90/1421481290.db2.gz SDFIRRGIPKQHOL-ZWKOTPCHSA-N 2 2 334.508 3.241 10 0 EGAELP C[C@@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717675099 1421560996 /nfs/dbraw/zinc/56/09/96/1421560996.db2.gz NRYZZUSBBRKKTN-AWEZNQCLSA-N 2 2 342.487 3.487 10 0 EGAELP C[C@H](CCC[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001717689236 1421567471 /nfs/dbraw/zinc/56/74/71/1421567471.db2.gz JKBJOVRKBLHOMS-ZIAGYGMSSA-N 2 2 348.878 3.241 10 0 EGAELP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001717962677 1421733967 /nfs/dbraw/zinc/73/39/67/1421733967.db2.gz KLLFPPXWKLILMC-IAGOWNOFSA-N 2 2 348.535 3.002 10 0 EGAELP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)c1cccc2[nH+]ccn21 ZINC001723071477 1424295709 /nfs/dbraw/zinc/29/57/09/1424295709.db2.gz NPPDASWWEVUMCS-GOSISDBHSA-N 2 2 348.450 3.074 10 0 EGAELP CCc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]C(C)C ZINC001733518718 1429728571 /nfs/dbraw/zinc/72/85/71/1429728571.db2.gz PZMWMNUGVGVYCP-BEFAXECRSA-N 2 2 342.487 3.006 10 0 EGAELP CCc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]C(C)C ZINC001733518718 1429728573 /nfs/dbraw/zinc/72/85/73/1429728573.db2.gz PZMWMNUGVGVYCP-BEFAXECRSA-N 2 2 342.487 3.006 10 0 EGAELP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001723727478 1424551724 /nfs/dbraw/zinc/55/17/24/1424551724.db2.gz SSBWIFUAFWNRQI-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001723727478 1424551729 /nfs/dbraw/zinc/55/17/29/1424551729.db2.gz SSBWIFUAFWNRQI-FQEVSTJZSA-N 2 2 346.519 3.024 10 0 EGAELP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001724249493 1424755360 /nfs/dbraw/zinc/75/53/60/1424755360.db2.gz JECULNWJVCVACB-LPHOPBHVSA-N 2 2 334.508 3.099 10 0 EGAELP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001724753281 1425123833 /nfs/dbraw/zinc/12/38/33/1425123833.db2.gz YCLYYQBEUYMYAP-IYARVYRRSA-N 2 2 348.535 3.381 10 0 EGAELP CC1([NH2+]CCC2CCCCCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001724959852 1425347367 /nfs/dbraw/zinc/34/73/67/1425347367.db2.gz CVULQWOVVFVUEQ-UHFFFAOYSA-N 2 2 346.519 3.283 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724960086 1425348526 /nfs/dbraw/zinc/34/85/26/1425348526.db2.gz NHEIQNRYCXXORZ-DKRLNXSXSA-N 2 2 346.519 3.305 10 0 EGAELP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724960086 1425348533 /nfs/dbraw/zinc/34/85/33/1425348533.db2.gz NHEIQNRYCXXORZ-DKRLNXSXSA-N 2 2 346.519 3.305 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001725242521 1425850817 /nfs/dbraw/zinc/85/08/17/1425850817.db2.gz OUCGIPCMFDAOKP-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001725242521 1425850820 /nfs/dbraw/zinc/85/08/20/1425850820.db2.gz OUCGIPCMFDAOKP-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001725242521 1425850821 /nfs/dbraw/zinc/85/08/21/1425850821.db2.gz OUCGIPCMFDAOKP-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001725242521 1425850824 /nfs/dbraw/zinc/85/08/24/1425850824.db2.gz OUCGIPCMFDAOKP-PKOBYXMFSA-N 2 2 348.535 3.385 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001725733270 1426406291 /nfs/dbraw/zinc/40/62/91/1426406291.db2.gz PJULZQFKNLMZKA-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001725733270 1426406294 /nfs/dbraw/zinc/40/62/94/1426406294.db2.gz PJULZQFKNLMZKA-QGZVFWFLSA-N 2 2 342.487 3.191 10 0 EGAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCCCC1 ZINC001731249215 1427202642 /nfs/dbraw/zinc/20/26/42/1427202642.db2.gz WTMIDOOYXGATCD-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCCCC1 ZINC001731249215 1427202644 /nfs/dbraw/zinc/20/26/44/1427202644.db2.gz WTMIDOOYXGATCD-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCCCC1 ZINC001731249215 1427202646 /nfs/dbraw/zinc/20/26/46/1427202646.db2.gz WTMIDOOYXGATCD-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCCCC1 ZINC001731249215 1427202651 /nfs/dbraw/zinc/20/26/51/1427202651.db2.gz WTMIDOOYXGATCD-QZTJIDSGSA-N 2 2 346.519 3.312 10 0 EGAELP CC1(C)CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001731492936 1427467488 /nfs/dbraw/zinc/46/74/88/1427467488.db2.gz KCNDEGCTULZHBG-HDICACEKSA-N 2 2 346.519 3.117 10 0 EGAELP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731543403 1427556493 /nfs/dbraw/zinc/55/64/93/1427556493.db2.gz LHIFQUHLXSINFZ-UBZMYNMCSA-N 2 2 332.492 3.161 10 0 EGAELP CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731543403 1427556496 /nfs/dbraw/zinc/55/64/96/1427556496.db2.gz LHIFQUHLXSINFZ-UBZMYNMCSA-N 2 2 332.492 3.161 10 0 EGAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001731921118 1428170851 /nfs/dbraw/zinc/17/08/51/1428170851.db2.gz UWNHMGKHVFPMFT-GOSISDBHSA-N 2 2 346.519 3.099 10 0 EGAELP CN(CC[NH2+]Cc1sccc1Cl)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731923679 1428172000 /nfs/dbraw/zinc/17/20/00/1428172000.db2.gz IYBXNZBEWNTGBS-UHFFFAOYSA-N 2 2 348.859 3.140 10 0 EGAELP CC(C)(C)CC[N@@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001733836405 1430110095 /nfs/dbraw/zinc/11/00/95/1430110095.db2.gz WRGRVVQMFCDBGQ-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP CC(C)(C)CC[N@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001733836405 1430110101 /nfs/dbraw/zinc/11/01/01/1430110101.db2.gz WRGRVVQMFCDBGQ-UHFFFAOYSA-N 2 2 340.471 3.020 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001734041802 1437830178 /nfs/dbraw/zinc/83/01/78/1437830178.db2.gz AGXMCUCNIVAJBV-SJLPKXTDSA-N 2 2 347.503 3.016 10 0 EGAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CC[C@H]2CCCCO2)c(C)[nH+]1 ZINC001734041802 1437830179 /nfs/dbraw/zinc/83/01/79/1437830179.db2.gz AGXMCUCNIVAJBV-SJLPKXTDSA-N 2 2 347.503 3.016 10 0 EGAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734067138 1437862294 /nfs/dbraw/zinc/86/22/94/1437862294.db2.gz WPBIIPOOEUTPPM-AOCRQIFASA-N 2 2 348.535 3.172 10 0 EGAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734067138 1437862297 /nfs/dbraw/zinc/86/22/97/1437862297.db2.gz WPBIIPOOEUTPPM-AOCRQIFASA-N 2 2 348.535 3.172 10 0 EGAELP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001734440554 1438102745 /nfs/dbraw/zinc/10/27/45/1438102745.db2.gz DXIXUZYABMJVLR-HHOLJBISSA-N 2 2 344.503 3.133 10 0 EGAELP CC/C=C\CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001734440554 1438102746 /nfs/dbraw/zinc/10/27/46/1438102746.db2.gz DXIXUZYABMJVLR-HHOLJBISSA-N 2 2 344.503 3.133 10 0 EGAELP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001750929484 1440112336 /nfs/dbraw/zinc/11/23/36/1440112336.db2.gz IHSYWKYNPJKNHT-OALUTQOASA-N 2 2 348.535 3.268 10 0 EGAELP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001750929484 1440112337 /nfs/dbraw/zinc/11/23/37/1440112337.db2.gz IHSYWKYNPJKNHT-OALUTQOASA-N 2 2 348.535 3.268 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946276 1440118708 /nfs/dbraw/zinc/11/87/08/1440118708.db2.gz ZBUGNFLTUBBVIZ-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001750946276 1440118709 /nfs/dbraw/zinc/11/87/09/1440118709.db2.gz ZBUGNFLTUBBVIZ-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946276 1440118711 /nfs/dbraw/zinc/11/87/11/1440118711.db2.gz ZBUGNFLTUBBVIZ-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001750946276 1440118712 /nfs/dbraw/zinc/11/87/12/1440118712.db2.gz ZBUGNFLTUBBVIZ-IRXDYDNUSA-N 2 2 348.535 3.385 10 0 EGAELP